smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCN(C)CC[C@@H](C)[N@H+](C)CCC=C ZINC000276400422 538932215 /nfs/dbraw/zinc/93/22/15/538932215.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCN(C)CC[C@@H](C)[N@@H+](C)CCC=C ZINC000276400422 538932217 /nfs/dbraw/zinc/93/22/17/538932217.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCN(C)[C@H](C)CC[N@H+](C)CCC=C ZINC000276400422 538932219 /nfs/dbraw/zinc/93/22/19/538932219.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCN(C)[C@H](C)CC[N@@H+](C)CCC=C ZINC000276400422 538932221 /nfs/dbraw/zinc/93/22/21/538932221.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000344290826 365677019 /nfs/dbraw/zinc/67/70/19/365677019.db2.gz CVQGVIJZTAGCAX-ZNMIVQPWSA-N 1 3 236.403 2.948 20 30 BFEDHO C=C(CC)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000313489389 259335670 /nfs/dbraw/zinc/33/56/70/259335670.db2.gz RUGRIOHXBUSXBU-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000570827306 323071869 /nfs/dbraw/zinc/07/18/69/323071869.db2.gz QAWNNJMIVDRVFN-OLZOCXBDSA-N 1 3 210.365 2.592 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000635024221 345224628 /nfs/dbraw/zinc/22/46/28/345224628.db2.gz UNRUWSZCHZXIJJ-RYUDHWBXSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CCC[C@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005801 345209590 /nfs/dbraw/zinc/20/95/90/345209590.db2.gz KDABESOVUUDKOH-HOCLYGCPSA-N 1 3 246.398 2.891 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000635016508 345221560 /nfs/dbraw/zinc/22/15/60/345221560.db2.gz CGEPWIYXSCRWMS-UONOGXRCSA-N 1 3 238.419 2.957 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000309715267 347146811 /nfs/dbraw/zinc/14/68/11/347146811.db2.gz SODZJGPMYLGZGC-BFHYXJOUSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCSCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000231932919 353674246 /nfs/dbraw/zinc/67/42/46/353674246.db2.gz OYAGGCNVIXOVBE-UONOGXRCSA-N 1 3 248.395 2.640 20 30 BFEDHO CC1(C#N)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000335147354 354861109 /nfs/dbraw/zinc/86/11/09/354861109.db2.gz TXOQOTVUUARCMD-JLVJUDLZSA-N 1 3 249.402 2.566 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000126768013 358554490 /nfs/dbraw/zinc/55/44/90/358554490.db2.gz VVMWZLSEULBMBL-UONOGXRCSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000126767780 358554539 /nfs/dbraw/zinc/55/45/39/358554539.db2.gz VVMWZLSEULBMBL-KBPBESRZSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629515336 361112977 /nfs/dbraw/zinc/11/29/77/361112977.db2.gz OSCIVJZUFZIMBK-UONOGXRCSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCCCC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629539480 361406045 /nfs/dbraw/zinc/40/60/45/361406045.db2.gz MIIHJNYXKOMIHL-MELADBBJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=C(C)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695921 367140068 /nfs/dbraw/zinc/14/00/68/367140068.db2.gz BHQNFUPNAQPDFV-KBPBESRZSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695921 367140075 /nfs/dbraw/zinc/14/00/75/367140075.db2.gz BHQNFUPNAQPDFV-KBPBESRZSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185695921 367140079 /nfs/dbraw/zinc/14/00/79/367140079.db2.gz BHQNFUPNAQPDFV-KBPBESRZSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCC(C)(C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386376383 367958792 /nfs/dbraw/zinc/95/87/92/367958792.db2.gz CFLRAPZJKQOLKL-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO C=C(C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000386677383 368009956 /nfs/dbraw/zinc/00/99/56/368009956.db2.gz HLSBSMSDNUXYAB-KGLIPLIRSA-N 1 3 216.328 2.687 20 30 BFEDHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000386812304 368024595 /nfs/dbraw/zinc/02/45/95/368024595.db2.gz RYTKEHLHLNLDOV-RBSFLKMASA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547853 384038635 /nfs/dbraw/zinc/03/86/35/384038635.db2.gz JTHHNQRRLGGHIS-HUUCEWRRSA-N 1 3 248.414 2.996 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423376932 384848067 /nfs/dbraw/zinc/84/80/67/384848067.db2.gz JKOFELMWHDDURV-AGIUHOORSA-N 1 3 210.365 2.591 20 30 BFEDHO C=CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161049688 384950801 /nfs/dbraw/zinc/95/08/01/384950801.db2.gz HSNWCCHVMGNLMY-UHFFFAOYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCC[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423353243 387205451 /nfs/dbraw/zinc/20/54/51/387205451.db2.gz CZPSBXACOSJMDZ-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423386755 387271441 /nfs/dbraw/zinc/27/14/41/387271441.db2.gz RPUZMNCOCKRBHV-IHRRRGAJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CCCNC(C)C ZINC000643508153 387477832 /nfs/dbraw/zinc/47/78/32/387477832.db2.gz PDKZKKPXKBVJFL-OLZOCXBDSA-N 1 3 212.381 2.565 20 30 BFEDHO C=CCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423048760 387858423 /nfs/dbraw/zinc/85/84/23/387858423.db2.gz IRWQTZALVZTKCO-LBPRGKRZSA-N 1 3 247.386 2.856 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423129811 387907165 /nfs/dbraw/zinc/90/71/65/387907165.db2.gz FPRQIFQZOHXOHP-OLZOCXBDSA-N 1 3 224.392 2.566 20 30 BFEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424366812 387992370 /nfs/dbraw/zinc/99/23/70/387992370.db2.gz JTAPCZHLFIJFRV-LXTVHRRPSA-N 1 3 249.402 2.579 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423214684 387996913 /nfs/dbraw/zinc/99/69/13/387996913.db2.gz LUGLLTWPQDVCJH-MJBXVCDLSA-N 1 3 224.392 2.709 20 30 BFEDHO N#C[C@@H]1CCC[C@@H](N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000423259479 388039004 /nfs/dbraw/zinc/03/90/04/388039004.db2.gz DVTRJRRRQVCUSY-YUELXQCFSA-N 1 3 249.402 2.566 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]C[C@H](C)CNC ZINC000423282287 388065681 /nfs/dbraw/zinc/06/56/81/388065681.db2.gz WKEFBFBYSUOBMO-OLZOCXBDSA-N 1 3 212.381 2.566 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]C[C@H](C)CNC ZINC000423282285 388066074 /nfs/dbraw/zinc/06/60/74/388066074.db2.gz WKEFBFBYSUOBMO-CHWSQXEVSA-N 1 3 212.381 2.566 20 30 BFEDHO C=CCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336667966 388461297 /nfs/dbraw/zinc/46/12/97/388461297.db2.gz QPJAKJLOQDLXME-ZIAGYGMSSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336667966 388461300 /nfs/dbraw/zinc/46/13/00/388461300.db2.gz QPJAKJLOQDLXME-ZIAGYGMSSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336667966 388461302 /nfs/dbraw/zinc/46/13/02/388461302.db2.gz QPJAKJLOQDLXME-ZIAGYGMSSA-N 1 3 222.376 2.559 20 30 BFEDHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(C#N)cc1 ZINC000423279834 388689348 /nfs/dbraw/zinc/68/93/48/388689348.db2.gz SPUQQSXJEBXGQH-LSDHHAIUSA-N 1 3 245.370 2.582 20 30 BFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248989999 388702968 /nfs/dbraw/zinc/70/29/68/388702968.db2.gz NBMBYIBWKYRVGL-ZQDZILKHSA-N 1 3 249.402 2.531 20 30 BFEDHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248989999 388702971 /nfs/dbraw/zinc/70/29/71/388702971.db2.gz NBMBYIBWKYRVGL-ZQDZILKHSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCCCCN(C)CCC[NH+]1CCCC1 ZINC000565520933 388950835 /nfs/dbraw/zinc/95/08/35/388950835.db2.gz LOLCGZFUAJGYFM-UHFFFAOYSA-N 1 3 224.392 2.760 20 30 BFEDHO CC#CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122080560 134237290 /nfs/dbraw/zinc/23/72/90/134237290.db2.gz VNKSYRVCYNKUOU-UHFFFAOYSA-N 1 3 248.414 2.598 20 30 BFEDHO C=CCC[C@@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414923826 398099814 /nfs/dbraw/zinc/09/98/14/398099814.db2.gz GDVODNOREOSHKR-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000665230289 410724514 /nfs/dbraw/zinc/72/45/14/410724514.db2.gz MDGQRPVDSXHPEC-TUVASFSCSA-N 1 3 236.403 2.981 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000657939223 411174782 /nfs/dbraw/zinc/17/47/82/411174782.db2.gz WAWFMMAROZGQSG-CVEARBPZSA-N 1 3 248.414 2.973 20 30 BFEDHO C=CCCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000656201141 411205816 /nfs/dbraw/zinc/20/58/16/411205816.db2.gz TVKQQSAKHGZJRT-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000665230687 412168758 /nfs/dbraw/zinc/16/87/58/412168758.db2.gz UDJAEUVABUCVOA-TUVASFSCSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000665230687 412168764 /nfs/dbraw/zinc/16/87/64/412168764.db2.gz UDJAEUVABUCVOA-TUVASFSCSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CCCC[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000135992820 488064687 /nfs/dbraw/zinc/06/46/87/488064687.db2.gz CFUYIURULGJFLB-UHFFFAOYSA-N 1 3 244.382 2.730 20 30 BFEDHO C=CCCC[N@H+](C)Cc1cccc2c1CCNC2 ZINC000135992820 488064690 /nfs/dbraw/zinc/06/46/90/488064690.db2.gz CFUYIURULGJFLB-UHFFFAOYSA-N 1 3 244.382 2.730 20 30 BFEDHO C=CCCCCC[C@H](C)N[C@@H](C)C[NH2+]C ZINC000854231066 588781042 /nfs/dbraw/zinc/78/10/42/588781042.db2.gz DANSAOZRCOWNAA-STQMWFEESA-N 1 3 212.381 2.709 20 30 BFEDHO C=CCCCCC[C@@H](C)N[C@H](C)C[NH2+]C ZINC000854231063 588781111 /nfs/dbraw/zinc/78/11/11/588781111.db2.gz DANSAOZRCOWNAA-CHWSQXEVSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]CC[C@H](C)N(C)C ZINC000895293636 583639896 /nfs/dbraw/zinc/63/98/96/583639896.db2.gz IJXYGYNQDKLGTN-STQMWFEESA-N 1 3 212.381 2.661 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000873281074 584128822 /nfs/dbraw/zinc/12/88/22/584128822.db2.gz XGOTUWMEPIJFKO-ZIAGYGMSSA-N 1 3 238.419 2.957 20 30 BFEDHO C=CCCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902374702 584567128 /nfs/dbraw/zinc/56/71/28/584567128.db2.gz PBVSUPWWGOUHLB-ZDUSSCGKSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCC[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccco1 ZINC000902486568 584626159 /nfs/dbraw/zinc/62/61/59/584626159.db2.gz QUOXLPPRDDNRDY-AVGNSLFASA-N 1 3 234.343 2.614 20 30 BFEDHO C[C@@]1(CN)CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747217 584794525 /nfs/dbraw/zinc/79/45/25/584794525.db2.gz PSZWJVILIFBBJS-AWEZNQCLSA-N 1 3 249.402 2.521 20 30 BFEDHO C[C@@]1(CN)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747217 584794527 /nfs/dbraw/zinc/79/45/27/584794527.db2.gz PSZWJVILIFBBJS-AWEZNQCLSA-N 1 3 249.402 2.521 20 30 BFEDHO C[C@@]1(C[NH3+])CCN(CCCCC2(C#N)CCC2)C1 ZINC000903747217 584794528 /nfs/dbraw/zinc/79/45/28/584794528.db2.gz PSZWJVILIFBBJS-AWEZNQCLSA-N 1 3 249.402 2.521 20 30 BFEDHO C[C@H]1C[C@@H]([NH3+])CCN1CCCCC1(C#N)CCC1 ZINC000903768834 584798058 /nfs/dbraw/zinc/79/80/58/584798058.db2.gz SBFJATQAXHIVIA-KBPBESRZSA-N 1 3 249.402 2.662 20 30 BFEDHO C=CCC[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000786579831 585895288 /nfs/dbraw/zinc/89/52/88/585895288.db2.gz UANFEZVIOALYEF-UHFFFAOYSA-N 1 3 232.371 2.756 20 30 BFEDHO C=CCC[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000786579831 585895289 /nfs/dbraw/zinc/89/52/89/585895289.db2.gz UANFEZVIOALYEF-UHFFFAOYSA-N 1 3 232.371 2.756 20 30 BFEDHO CCCCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000116927268 589058525 /nfs/dbraw/zinc/05/85/25/589058525.db2.gz QFVYABBPZQTUIK-GASCZTMLSA-N 1 3 238.419 2.888 20 30 BFEDHO C=CCCCCC[C@H](C)[NH2+]C1CCNCC1 ZINC000817937179 586844277 /nfs/dbraw/zinc/84/42/77/586844277.db2.gz UMHMPVFMCDDZPB-ZDUSSCGKSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCCC[C@H](C)[NH2+]CC[C@H](C)N ZINC000817953504 586849225 /nfs/dbraw/zinc/84/92/25/586849225.db2.gz PZVBEIHQSDVPMH-STQMWFEESA-N 1 3 212.381 2.838 20 30 BFEDHO C=CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000848716875 588407808 /nfs/dbraw/zinc/40/78/08/588407808.db2.gz KKTNBHRVEYKFJT-KKUMJFAQSA-N 1 3 245.370 2.558 20 30 BFEDHO CCCCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000863541240 589297168 /nfs/dbraw/zinc/29/71/68/589297168.db2.gz YWXLAMOWIGFFFU-UONOGXRCSA-N 1 3 226.408 2.935 20 30 BFEDHO CCCCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000863541241 589297445 /nfs/dbraw/zinc/29/74/45/589297445.db2.gz YWXLAMOWIGFFFU-ZIAGYGMSSA-N 1 3 226.408 2.935 20 30 BFEDHO CCCCCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000125501282 590166521 /nfs/dbraw/zinc/16/65/21/590166521.db2.gz JUFAVMQQOAZGDW-CHWSQXEVSA-N 1 3 212.381 2.626 20 30 BFEDHO C#CCCCCCC[NH2+]C[C@H]1CCN(CC)C1 ZINC000876943297 590259321 /nfs/dbraw/zinc/25/93/21/590259321.db2.gz OZCLZHMZQAGFSV-OAHLLOKOSA-N 1 3 236.403 2.502 20 30 BFEDHO C#CCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878123647 590500161 /nfs/dbraw/zinc/50/01/61/590500161.db2.gz CPQMDPMFAMORBL-MRXNPFEDSA-N 1 3 248.414 2.598 20 30 BFEDHO C#CCCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000878123647 590500162 /nfs/dbraw/zinc/50/01/62/590500162.db2.gz CPQMDPMFAMORBL-MRXNPFEDSA-N 1 3 248.414 2.598 20 30 BFEDHO C#CCCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000878123647 590500164 /nfs/dbraw/zinc/50/01/64/590500164.db2.gz CPQMDPMFAMORBL-MRXNPFEDSA-N 1 3 248.414 2.598 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000878746673 590618262 /nfs/dbraw/zinc/61/82/62/590618262.db2.gz BTRQWEQHAIZWGO-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000878746673 590618263 /nfs/dbraw/zinc/61/82/63/590618263.db2.gz BTRQWEQHAIZWGO-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@@H](C)[NH+]1CCC(C)(N2CCCC2)CC1 ZINC000879203672 590713698 /nfs/dbraw/zinc/71/36/98/590713698.db2.gz SVYHCRRXTAZVEZ-CQSZACIVSA-N 1 3 236.403 2.901 20 30 BFEDHO C=CC[C@H](C)N1CCC(CC)([NH+](C)C)CC1 ZINC000879286142 590729306 /nfs/dbraw/zinc/72/93/06/590729306.db2.gz LGOCUHSIFYCQLZ-ZDUSSCGKSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CC[C@H](C)[NH+]1CCC(CC)(N(C)C)CC1 ZINC000879286142 590729310 /nfs/dbraw/zinc/72/93/10/590729310.db2.gz LGOCUHSIFYCQLZ-ZDUSSCGKSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880260133 590980878 /nfs/dbraw/zinc/98/08/78/590980878.db2.gz BGBCAUMLCPFRBG-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880260133 590980879 /nfs/dbraw/zinc/98/08/79/590980879.db2.gz BGBCAUMLCPFRBG-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO CCCCCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129031020 591208135 /nfs/dbraw/zinc/20/81/35/591208135.db2.gz FWIZURZHNFLWNO-QWHCGFSZSA-N 1 3 212.381 2.768 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000129031020 591208138 /nfs/dbraw/zinc/20/81/38/591208138.db2.gz FWIZURZHNFLWNO-QWHCGFSZSA-N 1 3 212.381 2.768 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000129031020 591208140 /nfs/dbraw/zinc/20/81/40/591208140.db2.gz FWIZURZHNFLWNO-QWHCGFSZSA-N 1 3 212.381 2.768 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000925714273 634427561 /nfs/dbraw/zinc/42/75/61/634427561.db2.gz OZXKZXAEDGKCGQ-ILXRZTDVSA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925714273 634427572 /nfs/dbraw/zinc/42/75/72/634427572.db2.gz OZXKZXAEDGKCGQ-ILXRZTDVSA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000925714274 634427826 /nfs/dbraw/zinc/42/78/26/634427826.db2.gz OZXKZXAEDGKCGQ-KFWWJZLASA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925714274 634427828 /nfs/dbraw/zinc/42/78/28/634427828.db2.gz OZXKZXAEDGKCGQ-KFWWJZLASA-N 1 3 248.414 2.996 20 30 BFEDHO C=C1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925835905 635491672 /nfs/dbraw/zinc/49/16/72/635491672.db2.gz VBMRUOUJRIQOHB-AWEZNQCLSA-N 1 3 234.387 2.607 20 30 BFEDHO CCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303620665 644833628 /nfs/dbraw/zinc/83/36/28/644833628.db2.gz JJHIUSYHOVOCHP-CQSZACIVSA-N 1 3 224.392 2.642 20 30 BFEDHO CC[NH+](CC)[C@H](C)CN[C@H](C)CC(C)(C)C#N ZINC000924617118 646078341 /nfs/dbraw/zinc/07/83/41/646078341.db2.gz IXGMVUQJCPTPOR-CHWSQXEVSA-N 1 3 239.407 2.635 20 30 BFEDHO C=C(CC)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693837 646419911 /nfs/dbraw/zinc/41/99/11/646419911.db2.gz SGNZXBDTYGZSKN-GJZGRUSLSA-N 1 3 236.403 2.711 20 30 BFEDHO C=C(CC)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925693837 646419916 /nfs/dbraw/zinc/41/99/16/646419916.db2.gz SGNZXBDTYGZSKN-GJZGRUSLSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCCCCC[N@H+]1CCC[C@H](N)C1 ZINC001204877801 967214072 /nfs/dbraw/zinc/21/40/72/967214072.db2.gz QHNCJKQHBVLSSQ-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCCC[N@@H+]1CCC[C@H](N)C1 ZINC001204877801 967214086 /nfs/dbraw/zinc/21/40/86/967214086.db2.gz QHNCJKQHBVLSSQ-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO CC(C)[N@H+](CCCN)C1CCC(CC#N)CC1 ZINC001173325291 975272982 /nfs/dbraw/zinc/27/29/82/975272982.db2.gz GSMCWWWNPMVMRH-UHFFFAOYSA-N 1 3 237.391 2.518 20 30 BFEDHO CC(C)[N@@H+](CCCN)C1CCC(CC#N)CC1 ZINC001173325291 975272991 /nfs/dbraw/zinc/27/29/91/975272991.db2.gz GSMCWWWNPMVMRH-UHFFFAOYSA-N 1 3 237.391 2.518 20 30 BFEDHO C=C(C)CCc1ccccc1N[C@H](N)CCC[NH3+] ZINC001170901065 972068531 /nfs/dbraw/zinc/06/85/31/972068531.db2.gz VGXZJFICCBEAQH-HNNXBMFYSA-N 1 3 247.386 2.631 20 30 BFEDHO C=CCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209428570 957451128 /nfs/dbraw/zinc/45/11/28/957451128.db2.gz LZUTUSGCMYIUAT-UHFFFAOYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC000309320413 959841751 /nfs/dbraw/zinc/84/17/51/959841751.db2.gz GSUCLERINPOZCP-AWEZNQCLSA-N 1 3 224.392 2.794 20 30 BFEDHO C=CCCCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000309320413 959841758 /nfs/dbraw/zinc/84/17/58/959841758.db2.gz GSUCLERINPOZCP-AWEZNQCLSA-N 1 3 224.392 2.794 20 30 BFEDHO CCCCCCCC[NH2+][C@@H](C)C1CNC1 ZINC000686245844 960237791 /nfs/dbraw/zinc/23/77/91/960237791.db2.gz LXSLCKDPQKOZFF-LBPRGKRZSA-N 1 3 212.381 2.544 20 30 BFEDHO C=CCCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000925635719 960488108 /nfs/dbraw/zinc/48/81/08/960488108.db2.gz OKNMSSQAIDKIGC-OLZOCXBDSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000925635722 960488293 /nfs/dbraw/zinc/48/82/93/960488293.db2.gz OKNMSSQAIDKIGC-STQMWFEESA-N 1 3 222.376 2.605 20 30 BFEDHO C=C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccccc1 ZINC001254513288 969680761 /nfs/dbraw/zinc/68/07/61/969680761.db2.gz CDLHOYHFPDKCME-JKSUJKDBSA-N 1 3 244.382 2.988 20 30 BFEDHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001172119228 974386529 /nfs/dbraw/zinc/38/65/29/974386529.db2.gz WKIAHKCSHHUYMO-QDMKHBRRSA-N 1 3 248.414 2.641 20 30 BFEDHO CCC[N@H+](CCCN)C1CCC(CC#N)CC1 ZINC001173325098 975273566 /nfs/dbraw/zinc/27/35/66/975273566.db2.gz CPHKOWZEWROJRX-UHFFFAOYSA-N 1 3 237.391 2.520 20 30 BFEDHO CCC[N@@H+](CCCN)C1CCC(CC#N)CC1 ZINC001173325098 975273571 /nfs/dbraw/zinc/27/35/71/975273571.db2.gz CPHKOWZEWROJRX-UHFFFAOYSA-N 1 3 237.391 2.520 20 30 BFEDHO CN1CCC[C@H]1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173330202 975279070 /nfs/dbraw/zinc/27/90/70/975279070.db2.gz YICPUCFHBQNCOA-NRXISQOPSA-N 1 3 249.402 2.533 20 30 BFEDHO C=C(C)C[N@@H+](CC)Cc1cc2cnccc2[nH]1 ZINC001232015458 977845040 /nfs/dbraw/zinc/84/50/40/977845040.db2.gz JHRLKZPZGSLFEP-UHFFFAOYSA-N 1 3 229.327 2.961 20 30 BFEDHO C=C(C)C[N@H+](CC)Cc1cc2cnccc2[nH]1 ZINC001232015458 977845044 /nfs/dbraw/zinc/84/50/44/977845044.db2.gz JHRLKZPZGSLFEP-UHFFFAOYSA-N 1 3 229.327 2.961 20 30 BFEDHO C=CCCCCN(C)CC[C@H]1CCCC[NH2+]1 ZINC001236085573 979372682 /nfs/dbraw/zinc/37/26/82/979372682.db2.gz SGFIKLUGJUQCMJ-CQSZACIVSA-N 1 3 224.392 2.807 20 30 BFEDHO C#CCN(CCC[NH+]1CCCCC1)C(C)(C)C ZINC001460809476 985900996 /nfs/dbraw/zinc/90/09/96/985900996.db2.gz ZEITUNKPBZAICI-UHFFFAOYSA-N 1 3 236.403 2.596 20 30 BFEDHO N#C[C@H]1CC[C@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC001254638174 986685900 /nfs/dbraw/zinc/68/59/00/986685900.db2.gz XKAUWYZEJJWMLW-ZFWWWQNUSA-N 1 3 249.402 2.662 20 30 BFEDHO N#C[C@H]1CC[C@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC001254638174 986685911 /nfs/dbraw/zinc/68/59/11/986685911.db2.gz XKAUWYZEJJWMLW-ZFWWWQNUSA-N 1 3 249.402 2.662 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+]C[C@H](C)CN ZINC001246324355 987724072 /nfs/dbraw/zinc/72/40/72/987724072.db2.gz KOJLLHRVHVFLCU-OLZOCXBDSA-N 1 3 214.397 2.920 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001246324351 987731234 /nfs/dbraw/zinc/73/12/34/987731234.db2.gz KOJLLHRVHVFLCU-CHWSQXEVSA-N 1 3 214.397 2.920 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246445894 987807419 /nfs/dbraw/zinc/80/74/19/987807419.db2.gz QNQCLOKUMMWLRB-OLZOCXBDSA-N 1 3 224.392 2.687 20 30 BFEDHO CCCCCCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246445894 987807423 /nfs/dbraw/zinc/80/74/23/987807423.db2.gz QNQCLOKUMMWLRB-OLZOCXBDSA-N 1 3 224.392 2.687 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@@](C)(N)C3)C[C@H](C1)C2 ZINC001246467019 987825423 /nfs/dbraw/zinc/82/54/23/987825423.db2.gz YJIFNXFBYJZHPA-AXOHJZAGSA-N 1 3 234.387 2.591 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](N)CC3)C[C@H](C1)C2 ZINC001246540043 987905912 /nfs/dbraw/zinc/90/59/12/987905912.db2.gz FBRURWNMQSLXMP-IUOOZAAYSA-N 1 3 248.414 2.935 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](N)CC3)C[C@H](C1)C2 ZINC001246540043 987905920 /nfs/dbraw/zinc/90/59/20/987905920.db2.gz FBRURWNMQSLXMP-IUOOZAAYSA-N 1 3 248.414 2.935 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(CCN4)C3)C[C@H](C1)C2 ZINC001246636591 988330724 /nfs/dbraw/zinc/33/07/24/988330724.db2.gz OEUSSNCAYVEUEU-VFSICIBPSA-N 1 3 246.398 2.559 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(CCN4)C3)C[C@H](C1)C2 ZINC001246636591 988330735 /nfs/dbraw/zinc/33/07/35/988330735.db2.gz OEUSSNCAYVEUEU-VFSICIBPSA-N 1 3 246.398 2.559 20 30 BFEDHO C=C1C[C@@H]2CC([NH+]3CCCNCCC3)C[C@H](C1)C2 ZINC001246907012 988679358 /nfs/dbraw/zinc/67/93/58/988679358.db2.gz UAJBYBCICHCGHH-XYPWUTKMSA-N 1 3 248.414 2.807 20 30 BFEDHO C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001258728900 991671264 /nfs/dbraw/zinc/67/12/64/991671264.db2.gz RHRGWXCPYFBFHK-CQSZACIVSA-N 1 3 248.414 2.759 20 30 BFEDHO C=C(CN[C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423023832 398163085 /nfs/dbraw/zinc/16/30/85/398163085.db2.gz IEBWZJKYBVLQBN-CJNGLKHVSA-N 1 3 244.382 2.678 20 30 BFEDHO C=C(CC)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000313489399 259335819 /nfs/dbraw/zinc/33/58/19/259335819.db2.gz RUGRIOHXBUSXBU-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000358503693 344565907 /nfs/dbraw/zinc/56/59/07/344565907.db2.gz DNYHWICIOUMSPE-ZIAGYGMSSA-N 1 3 224.392 2.757 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000358503693 344565908 /nfs/dbraw/zinc/56/59/08/344565908.db2.gz DNYHWICIOUMSPE-ZIAGYGMSSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005798 345209734 /nfs/dbraw/zinc/20/97/34/345209734.db2.gz KDABESOVUUDKOH-GDBMZVCRSA-N 1 3 246.398 2.891 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000635020150 345223557 /nfs/dbraw/zinc/22/35/57/345223557.db2.gz KLSPAKJNRUGMDI-CHWSQXEVSA-N 1 3 224.392 2.696 20 30 BFEDHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(C#N)c1 ZINC000596651978 348606353 /nfs/dbraw/zinc/60/63/53/348606353.db2.gz DRNMQGRTGWWXIU-IUODEOHRSA-N 1 3 245.370 2.582 20 30 BFEDHO C=CCCC[N@H+]1C[C@@H](CN)[C@@H](c2ccccc2)C1 ZINC000337085316 350554896 /nfs/dbraw/zinc/55/48/96/350554896.db2.gz ZHPMSEZZRKLDIV-HZPDHXFCSA-N 1 3 244.382 2.627 20 30 BFEDHO C=CCCC[N@@H+]1C[C@@H](CN)[C@@H](c2ccccc2)C1 ZINC000337085316 350554901 /nfs/dbraw/zinc/55/49/01/350554901.db2.gz ZHPMSEZZRKLDIV-HZPDHXFCSA-N 1 3 244.382 2.627 20 30 BFEDHO C=C(CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000252715486 353303006 /nfs/dbraw/zinc/30/30/06/353303006.db2.gz VTXXMLMFTNOLTM-GDBMZVCRSA-N 1 3 244.382 2.630 20 30 BFEDHO C=C(CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000252715486 353303008 /nfs/dbraw/zinc/30/30/08/353303008.db2.gz VTXXMLMFTNOLTM-GDBMZVCRSA-N 1 3 244.382 2.630 20 30 BFEDHO C=C(C)CN1CCC(Nc2cc[nH+]cc2C)CC1 ZINC000192574767 353561077 /nfs/dbraw/zinc/56/10/77/353561077.db2.gz LCRMMGPKJVJHMB-UHFFFAOYSA-N 1 3 245.370 2.842 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000230658227 363317582 /nfs/dbraw/zinc/31/75/82/363317582.db2.gz JGDAMTPRBGCAHI-CYBMUJFWSA-N 1 3 212.381 2.661 20 30 BFEDHO C=CCCC[N@@H+](CCCN)CC1CCCC1 ZINC000352488196 134146803 /nfs/dbraw/zinc/14/68/03/134146803.db2.gz NHOVZMPTHPAZMG-UHFFFAOYSA-N 1 3 224.392 2.794 20 30 BFEDHO C=CCCC[N@H+](CCCN)CC1CCCC1 ZINC000352488196 134146804 /nfs/dbraw/zinc/14/68/04/134146804.db2.gz NHOVZMPTHPAZMG-UHFFFAOYSA-N 1 3 224.392 2.794 20 30 BFEDHO C=CCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCCC1 ZINC000423154888 192593247 /nfs/dbraw/zinc/59/32/47/192593247.db2.gz KHIPFIYYEOYZBK-KBPBESRZSA-N 1 3 236.403 2.840 20 30 BFEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000131976119 325193226 /nfs/dbraw/zinc/19/32/26/325193226.db2.gz CXPMFIJUJOEGIW-KBPBESRZSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000398083648 357839315 /nfs/dbraw/zinc/83/93/15/357839315.db2.gz SQURYFPWJIOUAO-AVGNSLFASA-N 1 3 210.365 2.591 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000398083655 357839884 /nfs/dbraw/zinc/83/98/84/357839884.db2.gz SQURYFPWJIOUAO-YNEHKIRRSA-N 1 3 210.365 2.591 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000126765870 358554533 /nfs/dbraw/zinc/55/45/33/358554533.db2.gz CJOUAFWDJLAVJZ-MELADBBJSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000075861299 359229981 /nfs/dbraw/zinc/22/99/81/359229981.db2.gz VNBKOYWVYGPMNM-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000075861299 359229986 /nfs/dbraw/zinc/22/99/86/359229986.db2.gz VNBKOYWVYGPMNM-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC1 ZINC000575072307 361275536 /nfs/dbraw/zinc/27/55/36/361275536.db2.gz XIXPVAQVZNPVJN-ZIAGYGMSSA-N 1 3 236.403 2.982 20 30 BFEDHO C=CCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCC1 ZINC000575072305 361276252 /nfs/dbraw/zinc/27/62/52/361276252.db2.gz XIXPVAQVZNPVJN-KGLIPLIRSA-N 1 3 236.403 2.982 20 30 BFEDHO C=C(C)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000386645793 368006225 /nfs/dbraw/zinc/00/62/25/368006225.db2.gz AUHNCTFNSWQNMB-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120986 371322061 /nfs/dbraw/zinc/32/20/61/371322061.db2.gz LHCSIISYCBCXGD-KKUMJFAQSA-N 1 3 238.419 2.909 20 30 BFEDHO C=CCC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547852 384039556 /nfs/dbraw/zinc/03/95/56/384039556.db2.gz JTHHNQRRLGGHIS-GJZGRUSLSA-N 1 3 248.414 2.996 20 30 BFEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC2(N)CCCCCC2)C1 ZINC000335059664 385960608 /nfs/dbraw/zinc/96/06/08/385960608.db2.gz MLWIYRZDLXWJDK-KGLIPLIRSA-N 1 3 249.402 2.710 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423334636 387180454 /nfs/dbraw/zinc/18/04/54/387180454.db2.gz QXCKRICUTFSXRU-KBPBESRZSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCC[C@@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC000423557653 387375444 /nfs/dbraw/zinc/37/54/44/387375444.db2.gz NLDNGZFCTHTWJD-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000643478025 387801312 /nfs/dbraw/zinc/80/13/12/387801312.db2.gz OOSWGEZYIBFHFY-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO CCCC[NH+]1CCC(N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781160 387840089 /nfs/dbraw/zinc/84/00/89/387840089.db2.gz HVQYZJPLVHSCPE-UKRRQHHQSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CC[C@@H](C#N)C1 ZINC000442791010 387841138 /nfs/dbraw/zinc/84/11/38/387841138.db2.gz KDUQARAPTHQNHT-BARDWOONSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CC[C@@H](C#N)C1 ZINC000442791010 387841142 /nfs/dbraw/zinc/84/11/42/387841142.db2.gz KDUQARAPTHQNHT-BARDWOONSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCC1 ZINC000423154901 387935460 /nfs/dbraw/zinc/93/54/60/387935460.db2.gz KHIPFIYYEOYZBK-UONOGXRCSA-N 1 3 236.403 2.840 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423208639 387992883 /nfs/dbraw/zinc/99/28/83/387992883.db2.gz DJDSGABHVNWAIV-IGQOVBAYSA-N 1 3 224.392 2.565 20 30 BFEDHO C=CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275655133 388344801 /nfs/dbraw/zinc/34/48/01/388344801.db2.gz FDTDOEVKIQJISQ-ZBFHGGJFSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275655133 388344802 /nfs/dbraw/zinc/34/48/02/388344802.db2.gz FDTDOEVKIQJISQ-ZBFHGGJFSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000530213024 388627891 /nfs/dbraw/zinc/62/78/91/388627891.db2.gz SUYWZPXQEGTHBB-STQMWFEESA-N 1 3 224.392 2.566 20 30 BFEDHO C=CC[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169129748 134249413 /nfs/dbraw/zinc/24/94/13/134249413.db2.gz VEKYHXKQYVMJDX-LEWSCRJBSA-N 1 3 216.328 2.685 20 30 BFEDHO C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338568846 135040669 /nfs/dbraw/zinc/04/06/69/135040669.db2.gz AEPYZDMXPGYUML-KBPBESRZSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338568848 135041346 /nfs/dbraw/zinc/04/13/46/135041346.db2.gz AEPYZDMXPGYUML-UONOGXRCSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CC[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000121964371 135227399 /nfs/dbraw/zinc/22/73/99/135227399.db2.gz LOTCQVZWHYRIKL-MJBXVCDLSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]CC1=CCN(C)CC1 ZINC000271829974 166301535 /nfs/dbraw/zinc/30/15/35/166301535.db2.gz DVLDJPBGJKZXSM-HNNXBMFYSA-N 1 3 236.403 2.973 20 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UDJAEUVABUCVOA-YJNKXOJESA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230688 412168391 /nfs/dbraw/zinc/16/83/91/412168391.db2.gz UDJAEUVABUCVOA-XGUBFFRZSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000665230688 412168394 /nfs/dbraw/zinc/16/83/94/412168394.db2.gz UDJAEUVABUCVOA-XGUBFFRZSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280696 412224543 /nfs/dbraw/zinc/22/45/43/412224543.db2.gz JDYWRMAHASLLIC-JHJVBQTASA-N 1 3 212.381 2.550 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280698 412225234 /nfs/dbraw/zinc/22/52/34/412225234.db2.gz JDYWRMAHASLLIC-YNEHKIRRSA-N 1 3 212.381 2.550 20 30 BFEDHO C=CCC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219242 323218132 /nfs/dbraw/zinc/21/81/32/323218132.db2.gz KXWUFOXYTNZZKM-ZIAGYGMSSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CCC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530219242 323218134 /nfs/dbraw/zinc/21/81/34/323218134.db2.gz KXWUFOXYTNZZKM-ZIAGYGMSSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000530213020 324529397 /nfs/dbraw/zinc/52/93/97/324529397.db2.gz SUYWZPXQEGTHBB-CHWSQXEVSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000174226425 534719604 /nfs/dbraw/zinc/71/96/04/534719604.db2.gz VDUHDARYVVEJEM-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000174226425 534719608 /nfs/dbraw/zinc/71/96/08/534719608.db2.gz VDUHDARYVVEJEM-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000174226425 534719615 /nfs/dbraw/zinc/71/96/15/534719615.db2.gz VDUHDARYVVEJEM-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366620008 534721018 /nfs/dbraw/zinc/72/10/18/534721018.db2.gz LFPPMTQYCFYDMN-HOCLYGCPSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366620008 534721022 /nfs/dbraw/zinc/72/10/22/534721022.db2.gz LFPPMTQYCFYDMN-HOCLYGCPSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CC[C@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000895339286 583653032 /nfs/dbraw/zinc/65/30/32/583653032.db2.gz ZRWIFFCZXSDSHM-AWEZNQCLSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CC[C@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000895339286 583653033 /nfs/dbraw/zinc/65/30/33/583653033.db2.gz ZRWIFFCZXSDSHM-AWEZNQCLSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CNCC1(C)C ZINC000902450518 584606871 /nfs/dbraw/zinc/60/68/71/584606871.db2.gz STHQRLBGBGZLFE-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO N#CC1CCC(C[N@H+]2CCCC[C@@H]2CCN)CC1 ZINC000903451825 584771849 /nfs/dbraw/zinc/77/18/49/584771849.db2.gz DYDBUKAVFKVESF-YMAMQOFZSA-N 1 3 249.402 2.520 20 30 BFEDHO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2CCN)CC1 ZINC000903451825 584771850 /nfs/dbraw/zinc/77/18/50/584771850.db2.gz DYDBUKAVFKVESF-YMAMQOFZSA-N 1 3 249.402 2.520 20 30 BFEDHO CN(CCCCC1(C#N)CCC1)C1CC[NH2+]CC1 ZINC000903713628 584793498 /nfs/dbraw/zinc/79/34/98/584793498.db2.gz XXPZZHDZYMNMJS-UHFFFAOYSA-N 1 3 249.402 2.534 20 30 BFEDHO C#CCN(CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000767351302 585517512 /nfs/dbraw/zinc/51/75/12/585517512.db2.gz ZXXOZLCLAHGSRL-OAHLLOKOSA-N 1 3 248.414 2.739 20 30 BFEDHO C#CCN(CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000767351302 585517513 /nfs/dbraw/zinc/51/75/13/585517513.db2.gz ZXXOZLCLAHGSRL-OAHLLOKOSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCCCCC[C@H](C)[NH2+]C[C@H](C)CN ZINC000817962463 586852512 /nfs/dbraw/zinc/85/25/12/586852512.db2.gz MRXGQULHCOZDPR-OLZOCXBDSA-N 1 3 212.381 2.696 20 30 BFEDHO C#CCCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820823750 587075079 /nfs/dbraw/zinc/07/50/79/587075079.db2.gz OWGOWABBWDQTEI-VHRNVKJDSA-N 1 3 246.398 2.537 20 30 BFEDHO C#CCCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820823750 587075081 /nfs/dbraw/zinc/07/50/81/587075081.db2.gz OWGOWABBWDQTEI-VHRNVKJDSA-N 1 3 246.398 2.537 20 30 BFEDHO C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000820823750 587075083 /nfs/dbraw/zinc/07/50/83/587075083.db2.gz OWGOWABBWDQTEI-VHRNVKJDSA-N 1 3 246.398 2.537 20 30 BFEDHO CCCCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000863539464 589296784 /nfs/dbraw/zinc/29/67/84/589296784.db2.gz CNHKCWCEWXGZIS-RYUDHWBXSA-N 1 3 200.370 2.672 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000873279597 590017155 /nfs/dbraw/zinc/01/71/55/590017155.db2.gz JHNCXGCIASJXSF-QWHCGFSZSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000873279825 590017723 /nfs/dbraw/zinc/01/77/23/590017723.db2.gz MELYSMDPQXJCGA-STQMWFEESA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000873279823 590018030 /nfs/dbraw/zinc/01/80/30/590018030.db2.gz MELYSMDPQXJCGA-OLZOCXBDSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000878159511 590510059 /nfs/dbraw/zinc/51/00/59/590510059.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000878159511 590510061 /nfs/dbraw/zinc/51/00/61/590510061.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000878159511 590510062 /nfs/dbraw/zinc/51/00/62/590510062.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000878159511 590510063 /nfs/dbraw/zinc/51/00/63/590510063.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000878159513 590510172 /nfs/dbraw/zinc/51/01/72/590510172.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000878159513 590510173 /nfs/dbraw/zinc/51/01/73/590510173.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000878159513 590510174 /nfs/dbraw/zinc/51/01/74/590510174.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000878159513 590510175 /nfs/dbraw/zinc/51/01/75/590510175.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259049 590979348 /nfs/dbraw/zinc/97/93/48/590979348.db2.gz LHWLOONZIZRNOS-KGLIPLIRSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259049 590979351 /nfs/dbraw/zinc/97/93/51/590979351.db2.gz LHWLOONZIZRNOS-KGLIPLIRSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CCCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880474373 591053428 /nfs/dbraw/zinc/05/34/28/591053428.db2.gz HLPRZLGPOUDLAN-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO C#CCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000181305159 633077741 /nfs/dbraw/zinc/07/77/41/633077741.db2.gz ZLYJPANUMCVKBW-UHFFFAOYSA-N 1 3 236.403 2.642 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925730062 646453992 /nfs/dbraw/zinc/45/39/92/646453992.db2.gz NJFYWGYGZZSUGS-CYBMUJFWSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCCC(C)(C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000704037130 712099347 /nfs/dbraw/zinc/09/93/47/712099347.db2.gz BBMFWMFEPUOJMQ-BTFPBAQTSA-N 1 3 248.414 2.565 20 30 BFEDHO C=CCCCCCCCN1CCC[C@@H]1C[NH3+] ZINC001236242648 966316833 /nfs/dbraw/zinc/31/68/33/966316833.db2.gz DPSFFBMVPYTWKZ-CQSZACIVSA-N 1 3 224.392 2.936 20 30 BFEDHO C#CC1(NC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001257213488 971127322 /nfs/dbraw/zinc/12/73/22/971127322.db2.gz PANTVFNXRUIJNB-UHFFFAOYSA-N 1 3 248.414 2.785 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CCN[C@@H](C)C3)C[C@H](C1)C2 ZINC001246109052 972171653 /nfs/dbraw/zinc/17/16/53/972171653.db2.gz IQCUBKUHJNFWBZ-KRMXURRVSA-N 1 3 248.414 2.851 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3CCN[C@H](C)C3)C[C@H](C1)C2 ZINC001246109049 972173780 /nfs/dbraw/zinc/17/37/80/972173780.db2.gz IQCUBKUHJNFWBZ-IWQYDBTJSA-N 1 3 248.414 2.851 20 30 BFEDHO C=CCCCCCC[N@H+]1CC[C@](C)(N)C1 ZINC001204763903 967152053 /nfs/dbraw/zinc/15/20/53/967152053.db2.gz RRXNVIRFNUQLJA-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCCC[N@@H+]1CC[C@](C)(N)C1 ZINC001204763903 967152055 /nfs/dbraw/zinc/15/20/55/967152055.db2.gz RRXNVIRFNUQLJA-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246870080 973254435 /nfs/dbraw/zinc/25/44/35/973254435.db2.gz KEVRDWFQJHMPLM-PBWFPOADSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@@H](C)C1 ZINC001246948499 973678929 /nfs/dbraw/zinc/67/89/29/973678929.db2.gz KKIPNBNIHMXCCE-ZFWWWQNUSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](C)C1 ZINC001246948499 973678936 /nfs/dbraw/zinc/67/89/36/973678936.db2.gz KKIPNBNIHMXCCE-ZFWWWQNUSA-N 1 3 236.403 2.948 20 30 BFEDHO CCCCN(C)CCC[NH2+][C@@H](C)CCCC#N ZINC001172480374 974779133 /nfs/dbraw/zinc/77/91/33/974779133.db2.gz STLHCSOYLQFOBI-AWEZNQCLSA-N 1 3 239.407 2.780 20 30 BFEDHO C[C@H](CCCC#N)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172488895 974832954 /nfs/dbraw/zinc/83/29/54/974832954.db2.gz XHGNAKYDMOBADJ-CYBMUJFWSA-N 1 3 249.402 2.662 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001246111706 987447901 /nfs/dbraw/zinc/44/79/01/987447901.db2.gz LOVTXFZFLPXDLH-PNESKVBLSA-N 1 3 212.381 2.815 20 30 BFEDHO C#CCCN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716907 987536120 /nfs/dbraw/zinc/53/61/20/987536120.db2.gz NFVIUSZUOJMHMC-INIZCTEOSA-N 1 3 248.414 2.596 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](N)CC3)C[C@H](C1)C2 ZINC001246540045 987902262 /nfs/dbraw/zinc/90/22/62/987902262.db2.gz FBRURWNMQSLXMP-QGPPMGRFSA-N 1 3 248.414 2.935 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](N)CC3)C[C@H](C1)C2 ZINC001246540045 987902271 /nfs/dbraw/zinc/90/22/71/987902271.db2.gz FBRURWNMQSLXMP-QGPPMGRFSA-N 1 3 248.414 2.935 20 30 BFEDHO N#CCC1CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246580185 988111356 /nfs/dbraw/zinc/11/13/56/988111356.db2.gz FNCNNDRXVIBPKJ-SLTAFYQDSA-N 1 3 249.402 2.520 20 30 BFEDHO N#CCC1CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246580185 988111377 /nfs/dbraw/zinc/11/13/77/988111377.db2.gz FNCNNDRXVIBPKJ-SLTAFYQDSA-N 1 3 249.402 2.520 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246650967 988377509 /nfs/dbraw/zinc/37/75/09/988377509.db2.gz KXUBVABXVJNRSF-GJZGRUSLSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246650967 988377519 /nfs/dbraw/zinc/37/75/19/988377519.db2.gz KXUBVABXVJNRSF-GJZGRUSLSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[C@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650967 988377524 /nfs/dbraw/zinc/37/75/24/988377524.db2.gz KXUBVABXVJNRSF-GJZGRUSLSA-N 1 3 236.403 2.949 20 30 BFEDHO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246659760 988392866 /nfs/dbraw/zinc/39/28/66/988392866.db2.gz GNCXLGJNFYVVLU-YIYPIFLZSA-N 1 3 224.392 2.624 20 30 BFEDHO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246659760 988392883 /nfs/dbraw/zinc/39/28/83/988392883.db2.gz GNCXLGJNFYVVLU-YIYPIFLZSA-N 1 3 224.392 2.624 20 30 BFEDHO C=CC[N@@H+]([C@H](C)CCNC)C1CCCCC1 ZINC001246944271 988781204 /nfs/dbraw/zinc/78/12/04/988781204.db2.gz BTSBPZQUMQFYJW-CYBMUJFWSA-N 1 3 224.392 2.805 20 30 BFEDHO C=CC[N@H+]([C@H](C)CCNC)C1CCCCC1 ZINC001246944271 988781213 /nfs/dbraw/zinc/78/12/13/988781213.db2.gz BTSBPZQUMQFYJW-CYBMUJFWSA-N 1 3 224.392 2.805 20 30 BFEDHO C=CCC[C@H](C)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001258734312 991681525 /nfs/dbraw/zinc/68/15/25/991681525.db2.gz WMYJLCRCXJTFKI-KKUMJFAQSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001474756611 992513888 /nfs/dbraw/zinc/51/38/88/992513888.db2.gz JUOJHILAAXINQJ-BYNSBNAKSA-N 1 3 236.403 2.661 20 30 BFEDHO CCCCCCCCN(C)C[C@@H]1CC[NH2+]C1 ZINC000382756616 993468256 /nfs/dbraw/zinc/46/82/56/993468256.db2.gz QELSGEJGUFFDCG-CQSZACIVSA-N 1 3 226.408 2.888 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000344290820 365676751 /nfs/dbraw/zinc/67/67/51/365676751.db2.gz CVQGVIJZTAGCAX-RRFJBIMHSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000562697614 323028167 /nfs/dbraw/zinc/02/81/67/323028167.db2.gz XBOZHAVANQHPJV-HUUCEWRRSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000562697614 323028168 /nfs/dbraw/zinc/02/81/68/323028168.db2.gz XBOZHAVANQHPJV-HUUCEWRRSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000336686693 346917291 /nfs/dbraw/zinc/91/72/91/346917291.db2.gz FBUNOALRERTZFO-RRFJBIMHSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CC[C@H]1CC[N@@H+](CCCN(CC)CC)C1 ZINC000625704457 344048777 /nfs/dbraw/zinc/04/87/77/344048777.db2.gz YBKVNKDHVQXABN-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CC[C@H]1CC[N@H+](CCCN(CC)CC)C1 ZINC000625704457 344048779 /nfs/dbraw/zinc/04/87/79/344048779.db2.gz YBKVNKDHVQXABN-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CC[C@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000625704457 344048783 /nfs/dbraw/zinc/04/87/83/344048783.db2.gz YBKVNKDHVQXABN-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000635024219 345224791 /nfs/dbraw/zinc/22/47/91/345224791.db2.gz UNRUWSZCHZXIJJ-NEPJUHHUSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635013503 345218302 /nfs/dbraw/zinc/21/83/02/345218302.db2.gz YSAYYQZJOANZHH-BFHYXJOUSA-N 1 3 238.419 2.955 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000635020122 345222944 /nfs/dbraw/zinc/22/29/44/345222944.db2.gz JUGBGSARHMSWFC-STQMWFEESA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000309715268 347146840 /nfs/dbraw/zinc/14/68/40/347146840.db2.gz SODZJGPMYLGZGC-IHRRRGAJSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179251 323205422 /nfs/dbraw/zinc/20/54/22/323205422.db2.gz RDBZIAWLFUXRNW-QWHCGFSZSA-N 1 3 222.376 2.605 20 30 BFEDHO C=C(CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000129947910 358602847 /nfs/dbraw/zinc/60/28/47/358602847.db2.gz VTXXMLMFTNOLTM-ZBFHGGJFSA-N 1 3 244.382 2.630 20 30 BFEDHO C=C(CN[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000129947910 358602849 /nfs/dbraw/zinc/60/28/49/358602849.db2.gz VTXXMLMFTNOLTM-ZBFHGGJFSA-N 1 3 244.382 2.630 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1CC ZINC000629528197 361133016 /nfs/dbraw/zinc/13/30/16/361133016.db2.gz SAODXOVSDVOWIU-HZSPNIEDSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCCCC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629539479 361406364 /nfs/dbraw/zinc/40/63/64/361406364.db2.gz MIIHJNYXKOMIHL-IHRRRGAJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000386812299 368024095 /nfs/dbraw/zinc/02/40/95/368024095.db2.gz RYTKEHLHLNLDOV-QLFBSQMISA-N 1 3 236.403 2.853 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120989 371321504 /nfs/dbraw/zinc/32/15/04/371321504.db2.gz LHCSIISYCBCXGD-ZNMIVQPWSA-N 1 3 238.419 2.909 20 30 BFEDHO C=CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CC1 ZINC000309586019 385711310 /nfs/dbraw/zinc/71/13/10/385711310.db2.gz RUAVXCPXBPZYTF-GXTWGEPZSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000309659065 385778655 /nfs/dbraw/zinc/77/86/55/385778655.db2.gz QURGTGKUKPLXBO-KBPBESRZSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000309659065 385778660 /nfs/dbraw/zinc/77/86/60/385778660.db2.gz QURGTGKUKPLXBO-KBPBESRZSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423380831 387261766 /nfs/dbraw/zinc/26/17/66/387261766.db2.gz YTQQHSZYCGBHAR-BFHYXJOUSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423395143 387281605 /nfs/dbraw/zinc/28/16/05/387281605.db2.gz RSXKUEYSUSCDSV-CHWSQXEVSA-N 1 3 244.382 2.980 20 30 BFEDHO C=CCC[C@@H](CCC)N[C@H]1CCCC[NH2+]C1 ZINC000423551780 387373609 /nfs/dbraw/zinc/37/36/09/387373609.db2.gz JNPWXJJHNOUKEJ-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CCCNC(C)C ZINC000643508154 387477710 /nfs/dbraw/zinc/47/77/10/387477710.db2.gz PDKZKKPXKBVJFL-QWHCGFSZSA-N 1 3 212.381 2.565 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000643478028 387803125 /nfs/dbraw/zinc/80/31/25/387803125.db2.gz OOSWGEZYIBFHFY-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422973845 387823899 /nfs/dbraw/zinc/82/38/99/387823899.db2.gz PRBUUCFYNGWDSF-QLFBSQMISA-N 1 3 249.402 2.581 20 30 BFEDHO C=CC[N@H+](CCCN1CCCCC1)C1CC1 ZINC000444604929 387890395 /nfs/dbraw/zinc/89/03/95/387890395.db2.gz CHDOGVHYWGJISK-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO C=CC[N@@H+](CCCN1CCCCC1)C1CC1 ZINC000444604929 387890399 /nfs/dbraw/zinc/89/03/99/387890399.db2.gz CHDOGVHYWGJISK-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO C=CCC(C)(C)CN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423138108 387915414 /nfs/dbraw/zinc/91/54/14/387915414.db2.gz SBVMMEUGRFOSIP-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H](CC)[C@@H]1CCCN1 ZINC000423138108 387915417 /nfs/dbraw/zinc/91/54/17/387915417.db2.gz SBVMMEUGRFOSIP-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423160580 387940629 /nfs/dbraw/zinc/94/06/29/387940629.db2.gz ZTEKLUYYJMGAAW-LLVKDONJSA-N 1 3 247.386 2.712 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423214683 387998382 /nfs/dbraw/zinc/99/83/82/387998382.db2.gz LUGLLTWPQDVCJH-MCIONIFRSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000449252102 388162681 /nfs/dbraw/zinc/16/26/81/388162681.db2.gz QCIPOSHYMWGAQA-CQSZACIVSA-N 1 3 236.403 2.973 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]CCCNC(C)C ZINC000520216722 256665483 /nfs/dbraw/zinc/66/54/83/256665483.db2.gz WFTMAZRIUGZEAJ-ZDUSSCGKSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CCC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000368446474 134218356 /nfs/dbraw/zinc/21/83/56/134218356.db2.gz XHZHXPAMZWMQMP-XHSDSOJGSA-N 1 3 248.414 2.948 20 30 BFEDHO C=C(CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000222870272 134335177 /nfs/dbraw/zinc/33/51/77/134335177.db2.gz VTXXMLMFTNOLTM-GOEBONIOSA-N 1 3 244.382 2.630 20 30 BFEDHO C=C(CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000222870272 134335178 /nfs/dbraw/zinc/33/51/78/134335178.db2.gz VTXXMLMFTNOLTM-GOEBONIOSA-N 1 3 244.382 2.630 20 30 BFEDHO C=CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338568847 135040582 /nfs/dbraw/zinc/04/05/82/135040582.db2.gz AEPYZDMXPGYUML-KGLIPLIRSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCN(C)Cc1ccc(C[N@H+](C)CC=C)cc1 ZINC000121308464 135222511 /nfs/dbraw/zinc/22/25/11/135222511.db2.gz LVIZMSVIJVRTIW-UHFFFAOYSA-N 1 3 244.382 2.922 20 30 BFEDHO C=CCN(C)Cc1ccc(C[N@@H+](C)CC=C)cc1 ZINC000121308464 135222513 /nfs/dbraw/zinc/22/25/13/135222513.db2.gz LVIZMSVIJVRTIW-UHFFFAOYSA-N 1 3 244.382 2.922 20 30 BFEDHO C=CC[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000121964026 135226216 /nfs/dbraw/zinc/22/62/16/135226216.db2.gz LOTCQVZWHYRIKL-IHRRRGAJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCN(C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000647884923 397925817 /nfs/dbraw/zinc/92/58/17/397925817.db2.gz LBWHHIKAZIMHAV-OAHLLOKOSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000651967539 409807302 /nfs/dbraw/zinc/80/73/02/409807302.db2.gz JUTVVGDAYVSNBI-MCIONIFRSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000656201140 411206333 /nfs/dbraw/zinc/20/63/33/411206333.db2.gz TVKQQSAKHGZJRT-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219209 323217844 /nfs/dbraw/zinc/21/78/44/323217844.db2.gz KXWUFOXYTNZZKM-KGLIPLIRSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CCC[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530219209 323217845 /nfs/dbraw/zinc/21/78/45/323217845.db2.gz KXWUFOXYTNZZKM-KGLIPLIRSA-N 1 3 234.387 2.605 20 30 BFEDHO C=C(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000130759909 325083870 /nfs/dbraw/zinc/08/38/70/325083870.db2.gz LWYSCEOUCGWRMO-UHFFFAOYSA-N 1 3 236.403 2.949 20 30 BFEDHO C=C[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358317032 534665920 /nfs/dbraw/zinc/66/59/20/534665920.db2.gz JURDALDXSSASAF-ZDUSSCGKSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366620006 534721206 /nfs/dbraw/zinc/72/12/06/534721206.db2.gz LFPPMTQYCFYDMN-GOEBONIOSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366620006 534721211 /nfs/dbraw/zinc/72/12/11/534721211.db2.gz LFPPMTQYCFYDMN-GOEBONIOSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCCC[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000854227424 588781089 /nfs/dbraw/zinc/78/10/89/588781089.db2.gz OIRSSZBBYIJUTE-WLYUNCDWSA-N 1 3 236.403 2.853 20 30 BFEDHO CCCCCCCCN1CC[C@H](C[NH2+]C)C1 ZINC000112706149 588813102 /nfs/dbraw/zinc/81/31/02/588813102.db2.gz CXUKYJPNTVCBSP-CQSZACIVSA-N 1 3 226.408 2.888 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]CC[C@@H](C)N(C)C ZINC000895293633 583639818 /nfs/dbraw/zinc/63/98/18/583639818.db2.gz IJXYGYNQDKLGTN-OLZOCXBDSA-N 1 3 212.381 2.661 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902442009 584597711 /nfs/dbraw/zinc/59/77/11/584597711.db2.gz GQEBAZOCKUSORY-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO N#CC1(CCCCN2CCC[C@@H](C[NH3+])C2)CCC1 ZINC000903713655 584793413 /nfs/dbraw/zinc/79/34/13/584793413.db2.gz YWFVEIUODPCMKF-AWEZNQCLSA-N 1 3 249.402 2.521 20 30 BFEDHO C[C@H]([NH3+])[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000903744279 584796506 /nfs/dbraw/zinc/79/65/06/584796506.db2.gz QTYRMZZSZIZMCF-KBPBESRZSA-N 1 3 249.402 2.520 20 30 BFEDHO C#CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000754465589 585284992 /nfs/dbraw/zinc/28/49/92/585284992.db2.gz PAWFBPOGZPIHCW-LSDHHAIUSA-N 1 3 248.414 2.642 20 30 BFEDHO C=CCN(CC#CC[N@H+](CC=C)C(C)C)C(C)C ZINC000792863609 586006129 /nfs/dbraw/zinc/00/61/29/586006129.db2.gz ZJNXCPBVUFBYPM-UHFFFAOYSA-N 1 3 248.414 2.783 20 30 BFEDHO C=CCN(CC#CC[N@@H+](CC=C)C(C)C)C(C)C ZINC000792863609 586006130 /nfs/dbraw/zinc/00/61/30/586006130.db2.gz ZJNXCPBVUFBYPM-UHFFFAOYSA-N 1 3 248.414 2.783 20 30 BFEDHO C=CCCCCC[C@@H](C)[NH2+]C1CCNCC1 ZINC000817937178 586844339 /nfs/dbraw/zinc/84/43/39/586844339.db2.gz UMHMPVFMCDDZPB-CYBMUJFWSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000873279822 590017812 /nfs/dbraw/zinc/01/78/12/590017812.db2.gz MELYSMDPQXJCGA-CHWSQXEVSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H](C)C[C@@H](C)N ZINC000873279466 590017850 /nfs/dbraw/zinc/01/78/50/590017850.db2.gz IUNCUQOBWSBXSK-VXGBXAGGSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000873281073 590018892 /nfs/dbraw/zinc/01/88/92/590018892.db2.gz XGOTUWMEPIJFKO-UONOGXRCSA-N 1 3 238.419 2.957 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000873281071 590018898 /nfs/dbraw/zinc/01/88/98/590018898.db2.gz XGOTUWMEPIJFKO-KBPBESRZSA-N 1 3 238.419 2.957 20 30 BFEDHO C#CCCCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876940870 590259331 /nfs/dbraw/zinc/25/93/31/590259331.db2.gz ZKDDAJOAMVSDOA-HZPDHXFCSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940870 590259333 /nfs/dbraw/zinc/25/93/33/590259333.db2.gz ZKDDAJOAMVSDOA-HZPDHXFCSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000876940870 590259335 /nfs/dbraw/zinc/25/93/35/590259335.db2.gz ZKDDAJOAMVSDOA-HZPDHXFCSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878123646 590500090 /nfs/dbraw/zinc/50/00/90/590500090.db2.gz CPQMDPMFAMORBL-INIZCTEOSA-N 1 3 248.414 2.598 20 30 BFEDHO C#CCCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000878123646 590500092 /nfs/dbraw/zinc/50/00/92/590500092.db2.gz CPQMDPMFAMORBL-INIZCTEOSA-N 1 3 248.414 2.598 20 30 BFEDHO C#CCCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000878123646 590500094 /nfs/dbraw/zinc/50/00/94/590500094.db2.gz CPQMDPMFAMORBL-INIZCTEOSA-N 1 3 248.414 2.598 20 30 BFEDHO C=CC[C@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878149349 590506007 /nfs/dbraw/zinc/50/60/07/590506007.db2.gz WHNVUELNVTWUSW-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000878149349 590506008 /nfs/dbraw/zinc/50/60/08/590506008.db2.gz WHNVUELNVTWUSW-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000878149349 590506010 /nfs/dbraw/zinc/50/60/10/590506010.db2.gz WHNVUELNVTWUSW-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000878157122 590509041 /nfs/dbraw/zinc/50/90/41/590509041.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000878157122 590509044 /nfs/dbraw/zinc/50/90/44/590509044.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878157122 590509045 /nfs/dbraw/zinc/50/90/45/590509045.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157122 590509047 /nfs/dbraw/zinc/50/90/47/590509047.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000878159510 590510492 /nfs/dbraw/zinc/51/04/92/590510492.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000878159510 590510494 /nfs/dbraw/zinc/51/04/94/590510494.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000878159510 590510496 /nfs/dbraw/zinc/51/04/96/590510496.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000878159510 590510498 /nfs/dbraw/zinc/51/04/98/590510498.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=C(C)CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880474225 591053207 /nfs/dbraw/zinc/05/32/07/591053207.db2.gz VFRKKKMKWIDERQ-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO C=C(CC)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473777 591053357 /nfs/dbraw/zinc/05/33/57/591053357.db2.gz NUJAFXWMAWMXHW-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO C=CCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886710869 592308359 /nfs/dbraw/zinc/30/83/59/592308359.db2.gz HYKHHLUWLKUEIL-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO CCC1(N2CCC2)CC[NH+](CCCCC#N)CC1 ZINC000886710607 592308914 /nfs/dbraw/zinc/30/89/14/592308914.db2.gz BURCJOIOMADGTK-UHFFFAOYSA-N 1 3 249.402 2.631 20 30 BFEDHO CC[C@H](NCCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000925736818 634589647 /nfs/dbraw/zinc/58/96/47/634589647.db2.gz CMHWXKNZTUDGLR-AWEZNQCLSA-N 1 3 245.370 2.726 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C/C[N@@H+]1CC[C@H]1CC=C ZINC000934460561 631848333 /nfs/dbraw/zinc/84/83/33/631848333.db2.gz QKURHOQXYWTULU-DOOVEFGSSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C/C[N@H+]1CC[C@H]1CC=C ZINC000934460561 631848338 /nfs/dbraw/zinc/84/83/38/631848338.db2.gz QKURHOQXYWTULU-DOOVEFGSSA-N 1 3 246.398 2.843 20 30 BFEDHO CCCCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC000059089456 640783916 /nfs/dbraw/zinc/78/39/16/640783916.db2.gz NKBPZJLGBJQRQB-CYBMUJFWSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCC[N@H+]1CCC[C@H](CN)C1 ZINC000059089456 640783921 /nfs/dbraw/zinc/78/39/21/640783921.db2.gz NKBPZJLGBJQRQB-CYBMUJFWSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCCN1CCC[C@H](C[NH3+])C1 ZINC000059089456 640783925 /nfs/dbraw/zinc/78/39/25/640783925.db2.gz NKBPZJLGBJQRQB-CYBMUJFWSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000232952132 642637843 /nfs/dbraw/zinc/63/78/43/642637843.db2.gz LSLVCRKYEWIGES-CYBMUJFWSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000232952132 642637846 /nfs/dbraw/zinc/63/78/46/642637846.db2.gz LSLVCRKYEWIGES-CYBMUJFWSA-N 1 3 212.381 2.628 20 30 BFEDHO C=CCC1(C[NH2+][C@H]2CCNC23CCC3)CCCC1 ZINC000925685010 646411054 /nfs/dbraw/zinc/41/10/54/646411054.db2.gz CIAMUBBYLYMRPL-AWEZNQCLSA-N 1 3 248.414 2.997 20 30 BFEDHO CCCCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000703726122 712085893 /nfs/dbraw/zinc/08/58/93/712085893.db2.gz CYJKKPSKKWLXMC-CHWSQXEVSA-N 1 3 212.381 2.674 20 30 BFEDHO C=CCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209432876 957465258 /nfs/dbraw/zinc/46/52/58/957465258.db2.gz LTXZQUAOWCTTRA-HUUCEWRRSA-N 1 3 236.403 2.616 20 30 BFEDHO CCCCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958886 979227727 /nfs/dbraw/zinc/22/77/27/979227727.db2.gz KWICLPBVWHCDGC-BTTYYORXSA-N 1 3 224.392 2.626 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237744 972421764 /nfs/dbraw/zinc/42/17/64/972421764.db2.gz RYSXVTDGWCPUFX-HNNXBMFYSA-N 1 3 236.403 2.951 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222237744 972421768 /nfs/dbraw/zinc/42/17/68/972421768.db2.gz RYSXVTDGWCPUFX-HNNXBMFYSA-N 1 3 236.403 2.951 20 30 BFEDHO CCCCCCC[C@H](C)N1CC(C[NH3+])C1 ZINC000712588168 962932368 /nfs/dbraw/zinc/93/23/68/962932368.db2.gz XGHBAJHDZLDKQT-LBPRGKRZSA-N 1 3 212.381 2.626 20 30 BFEDHO C=CCCCCCC[N@H+]1CCC[C@](C)(N)C1 ZINC001204937826 967243879 /nfs/dbraw/zinc/24/38/79/967243879.db2.gz HBSLMLOPRIKXNY-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO C=CCCCCCC[N@@H+]1CCC[C@](C)(N)C1 ZINC001204937826 967243888 /nfs/dbraw/zinc/24/38/88/967243888.db2.gz HBSLMLOPRIKXNY-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO C#CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001169118062 969412442 /nfs/dbraw/zinc/41/24/42/969412442.db2.gz CQFXQHWRFNJCMB-QKDCVEJESA-N 1 3 246.398 2.537 20 30 BFEDHO C#CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169118062 969412446 /nfs/dbraw/zinc/41/24/46/969412446.db2.gz CQFXQHWRFNJCMB-QKDCVEJESA-N 1 3 246.398 2.537 20 30 BFEDHO CC(C)[N@H+](CCCN)C1CCC(C)(C#N)CC1 ZINC001173585073 975422259 /nfs/dbraw/zinc/42/22/59/975422259.db2.gz ZBRRJFPGFFXXAK-UHFFFAOYSA-N 1 3 237.391 2.518 20 30 BFEDHO CC(C)[N@@H+](CCCN)C1CCC(C)(C#N)CC1 ZINC001173585073 975422269 /nfs/dbraw/zinc/42/22/69/975422269.db2.gz ZBRRJFPGFFXXAK-UHFFFAOYSA-N 1 3 237.391 2.518 20 30 BFEDHO C=CCCCCCCCC[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235209975 978999333 /nfs/dbraw/zinc/99/93/33/978999333.db2.gz GZJDVKKVEZRTAQ-FICVDOATSA-N 1 3 236.403 2.792 20 30 BFEDHO C=CCCCCCCCC[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235209975 978999339 /nfs/dbraw/zinc/99/93/39/978999339.db2.gz GZJDVKKVEZRTAQ-FICVDOATSA-N 1 3 236.403 2.792 20 30 BFEDHO C=CCCCCCCC[N@H+](C)CCCN ZINC001235435247 979045732 /nfs/dbraw/zinc/04/57/32/979045732.db2.gz FDEHBORYIJNRBX-UHFFFAOYSA-N 1 3 212.381 2.794 20 30 BFEDHO C=CCCCCCCC[N@@H+](C)CCCN ZINC001235435247 979045735 /nfs/dbraw/zinc/04/57/35/979045735.db2.gz FDEHBORYIJNRBX-UHFFFAOYSA-N 1 3 212.381 2.794 20 30 BFEDHO C=CCCCCCCCN(C)CCC[NH3+] ZINC001235435247 979045739 /nfs/dbraw/zinc/04/57/39/979045739.db2.gz FDEHBORYIJNRBX-UHFFFAOYSA-N 1 3 212.381 2.794 20 30 BFEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@](C)(C[NH3+])C2)CC1 ZINC001236603596 979678200 /nfs/dbraw/zinc/67/82/00/979678200.db2.gz AQJRUPDAFVTLPG-HZPDHXFCSA-N 1 3 248.414 2.960 20 30 BFEDHO CCCCCCC[C@H](CC)NCC[NH2+]C ZINC001246071824 987360435 /nfs/dbraw/zinc/36/04/35/987360435.db2.gz BAUZCLFVYYHANE-ZDUSSCGKSA-N 1 3 214.397 2.935 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246189034 987571877 /nfs/dbraw/zinc/57/18/77/987571877.db2.gz LOVTXFZFLPXDLH-RWMBFGLXSA-N 1 3 212.381 2.815 20 30 BFEDHO CCCCCCCN[C@H]1CCCC[NH2+]C1 ZINC001246227546 987626894 /nfs/dbraw/zinc/62/68/94/987626894.db2.gz DMNGACHWJNDZAF-ZDUSSCGKSA-N 1 3 212.381 2.689 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4NCC[C@@H]43)C[C@H](C1)C2 ZINC001246631972 988321438 /nfs/dbraw/zinc/32/14/38/988321438.db2.gz SXZIFYJYTXBZJD-YKUJZXIWSA-N 1 3 246.398 2.558 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4NCC[C@@H]43)C[C@H](C1)C2 ZINC001246631972 988321454 /nfs/dbraw/zinc/32/14/54/988321454.db2.gz SXZIFYJYTXBZJD-YKUJZXIWSA-N 1 3 246.398 2.558 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4NCC[C@H]43)C[C@H](C1)C2 ZINC001246635897 988330647 /nfs/dbraw/zinc/33/06/47/988330647.db2.gz SXZIFYJYTXBZJD-BLNMRFBMSA-N 1 3 246.398 2.558 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4NCC[C@H]43)C[C@H](C1)C2 ZINC001246635897 988330665 /nfs/dbraw/zinc/33/06/65/988330665.db2.gz SXZIFYJYTXBZJD-BLNMRFBMSA-N 1 3 246.398 2.558 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC2CC2)C1 ZINC001246919539 988728258 /nfs/dbraw/zinc/72/82/58/988728258.db2.gz NGPKTYPCLNTPOA-OCCSQVGLSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC2CC2)C1 ZINC001246919539 988728285 /nfs/dbraw/zinc/72/82/85/988728285.db2.gz NGPKTYPCLNTPOA-OCCSQVGLSA-N 1 3 222.376 2.558 20 30 BFEDHO C#CCCCCCC[N@H+]1CCCC[C@@H]1CCN ZINC001574544678 992876275 /nfs/dbraw/zinc/87/62/75/992876275.db2.gz HQEDVEHPHUPQGO-OAHLLOKOSA-N 1 3 236.403 2.773 20 30 BFEDHO C#CCCCCCC[N@@H+]1CCCC[C@@H]1CCN ZINC001574544678 992876278 /nfs/dbraw/zinc/87/62/78/992876278.db2.gz HQEDVEHPHUPQGO-OAHLLOKOSA-N 1 3 236.403 2.773 20 30 BFEDHO C=CCC[C@@H](CCC)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001574901464 992943568 /nfs/dbraw/zinc/94/35/68/992943568.db2.gz IKYRJLXICUQIET-KFWWJZLASA-N 1 3 236.403 2.996 20 30 BFEDHO C=C(C[NH2+][C@@H]1CCCCC[C@H]1N)c1ccccc1 ZINC000423022027 398161884 /nfs/dbraw/zinc/16/18/84/398161884.db2.gz DLOKXJYIZVTKSQ-HZPDHXFCSA-N 1 3 244.382 2.949 20 30 BFEDHO C=C(CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423023834 398163246 /nfs/dbraw/zinc/16/32/46/398163246.db2.gz IEBWZJKYBVLQBN-XJKSGUPXSA-N 1 3 244.382 2.678 20 30 BFEDHO C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000336686695 346917434 /nfs/dbraw/zinc/91/74/34/346917434.db2.gz FBUNOALRERTZFO-SOUVJXGZSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CC[C@@H]1CC[N@@H+](CCCN(CC)CC)C1 ZINC000625704458 344048638 /nfs/dbraw/zinc/04/86/38/344048638.db2.gz YBKVNKDHVQXABN-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CC[C@@H]1CC[N@H+](CCCN(CC)CC)C1 ZINC000625704458 344048641 /nfs/dbraw/zinc/04/86/41/344048641.db2.gz YBKVNKDHVQXABN-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CC[C@@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000625704458 344048643 /nfs/dbraw/zinc/04/86/43/344048643.db2.gz YBKVNKDHVQXABN-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000358503685 344565427 /nfs/dbraw/zinc/56/54/27/344565427.db2.gz DNYHWICIOUMSPE-KBPBESRZSA-N 1 3 224.392 2.757 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000358503685 344565430 /nfs/dbraw/zinc/56/54/30/344565430.db2.gz DNYHWICIOUMSPE-KBPBESRZSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000635024222 345224909 /nfs/dbraw/zinc/22/49/09/345224909.db2.gz UNRUWSZCHZXIJJ-VXGBXAGGSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000635016509 345221733 /nfs/dbraw/zinc/22/17/33/345221733.db2.gz CGEPWIYXSCRWMS-ZIAGYGMSSA-N 1 3 238.419 2.957 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000635020151 345223608 /nfs/dbraw/zinc/22/36/08/345223608.db2.gz KLSPAKJNRUGMDI-OLZOCXBDSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCCCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577077468 365806168 /nfs/dbraw/zinc/80/61/68/365806168.db2.gz PSHDBCGBBCRAJR-PBWFPOADSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000370676412 134226960 /nfs/dbraw/zinc/22/69/60/134226960.db2.gz KMYHTZJHEHCOTQ-RRFJBIMHSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861301 359229906 /nfs/dbraw/zinc/22/99/06/359229906.db2.gz VNBKOYWVYGPMNM-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861301 359229911 /nfs/dbraw/zinc/22/99/11/359229911.db2.gz VNBKOYWVYGPMNM-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CC1CC[NH+](CCCN(CC)CC)CC1 ZINC000191789088 361359453 /nfs/dbraw/zinc/35/94/53/361359453.db2.gz DVELNXLIERCDMI-UHFFFAOYSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336667959 365346769 /nfs/dbraw/zinc/34/67/69/365346769.db2.gz QPJAKJLOQDLXME-KGLIPLIRSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336667959 365346775 /nfs/dbraw/zinc/34/67/75/365346775.db2.gz QPJAKJLOQDLXME-KGLIPLIRSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000336667959 365346781 /nfs/dbraw/zinc/34/67/81/365346781.db2.gz QPJAKJLOQDLXME-KGLIPLIRSA-N 1 3 222.376 2.559 20 30 BFEDHO C=C(C)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695907 367140486 /nfs/dbraw/zinc/14/04/86/367140486.db2.gz BHQNFUPNAQPDFV-ZIAGYGMSSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695907 367140491 /nfs/dbraw/zinc/14/04/91/367140491.db2.gz BHQNFUPNAQPDFV-ZIAGYGMSSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185695907 367140496 /nfs/dbraw/zinc/14/04/96/367140496.db2.gz BHQNFUPNAQPDFV-ZIAGYGMSSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000580843696 367186948 /nfs/dbraw/zinc/18/69/48/367186948.db2.gz GPFFHMDAMUTSCS-KGLIPLIRSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCC[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423348266 387196794 /nfs/dbraw/zinc/19/67/94/387196794.db2.gz SUHCHSUFMOLBKI-LSDHHAIUSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423348265 387198064 /nfs/dbraw/zinc/19/80/64/387198064.db2.gz SUHCHSUFMOLBKI-HUUCEWRRSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCC[C@H](CCC)N[C@H]1CCCC[NH2+]C1 ZINC000423551779 387373086 /nfs/dbraw/zinc/37/30/86/387373086.db2.gz JNPWXJJHNOUKEJ-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@@H](CCC)N[C@@H]1CCCC[NH2+]C1 ZINC000423551782 387373796 /nfs/dbraw/zinc/37/37/96/387373796.db2.gz JNPWXJJHNOUKEJ-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO N#CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422973848 387824551 /nfs/dbraw/zinc/82/45/51/387824551.db2.gz PRBUUCFYNGWDSF-SOUVJXGZSA-N 1 3 249.402 2.581 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423129812 387908195 /nfs/dbraw/zinc/90/81/95/387908195.db2.gz FPRQIFQZOHXOHP-QWHCGFSZSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423267999 388047086 /nfs/dbraw/zinc/04/70/86/388047086.db2.gz DDJLXSNZGWGJMG-RDBSUJKOSA-N 1 3 224.392 2.838 20 30 BFEDHO C=C(C)CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000352016139 533484613 /nfs/dbraw/zinc/48/46/13/533484613.db2.gz VHEMAQATSSFVOG-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C(C)CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000352016139 533484620 /nfs/dbraw/zinc/48/46/20/533484620.db2.gz VHEMAQATSSFVOG-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C(C)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000106245981 134159740 /nfs/dbraw/zinc/15/97/40/134159740.db2.gz HNYMDHGTDJZPKS-UHFFFAOYSA-N 1 3 244.382 2.817 20 30 BFEDHO C=CCCCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226438522 134363141 /nfs/dbraw/zinc/36/31/41/134363141.db2.gz USZKUKGFACQHHC-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC000226438522 134363142 /nfs/dbraw/zinc/36/31/42/134363142.db2.gz USZKUKGFACQHHC-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCCCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000226438522 134363143 /nfs/dbraw/zinc/36/31/43/134363143.db2.gz USZKUKGFACQHHC-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000665230288 410725049 /nfs/dbraw/zinc/72/50/49/410725049.db2.gz MDGQRPVDSXHPEC-QPSCCSFWSA-N 1 3 236.403 2.981 20 30 BFEDHO C=CCCC1(C[NH2+][C@@H](C)C2CNC2)CCCC1 ZINC000665236569 412177231 /nfs/dbraw/zinc/17/72/31/412177231.db2.gz POMHHERCCOVOMB-ZDUSSCGKSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995223 487925327 /nfs/dbraw/zinc/92/53/27/487925327.db2.gz GPCJIGCJWAYIPV-STQMWFEESA-N 1 3 222.376 2.605 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000570827308 323071895 /nfs/dbraw/zinc/07/18/95/323071895.db2.gz QAWNNJMIVDRVFN-STQMWFEESA-N 1 3 210.365 2.592 20 30 BFEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000131975874 325193197 /nfs/dbraw/zinc/19/31/97/325193197.db2.gz CXPMFIJUJOEGIW-UONOGXRCSA-N 1 3 224.392 2.661 20 30 BFEDHO CCN(CC)CCC[NH2+]CC(C)(C)CCC#N ZINC000135121970 325396273 /nfs/dbraw/zinc/39/62/73/325396273.db2.gz IHYDEGUZEMZELX-UHFFFAOYSA-N 1 3 239.407 2.638 20 30 BFEDHO C=C(CC)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000358515235 534370889 /nfs/dbraw/zinc/37/08/89/534370889.db2.gz XLZGOUUIGNZJSR-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C(CC)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000358515235 534370897 /nfs/dbraw/zinc/37/08/97/534370897.db2.gz XLZGOUUIGNZJSR-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C(CC)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000358515258 534371734 /nfs/dbraw/zinc/37/17/34/534371734.db2.gz XPTZPFKQIFHLSK-UHFFFAOYSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261556165 534552306 /nfs/dbraw/zinc/55/23/06/534552306.db2.gz QLWYNVOHAHABPZ-QWHCGFSZSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174226411 534717505 /nfs/dbraw/zinc/71/75/05/534717505.db2.gz VDUHDARYVVEJEM-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000174226411 534717507 /nfs/dbraw/zinc/71/75/07/534717507.db2.gz VDUHDARYVVEJEM-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000174226411 534717511 /nfs/dbraw/zinc/71/75/11/534717511.db2.gz VDUHDARYVVEJEM-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366620010 534719844 /nfs/dbraw/zinc/71/98/44/534719844.db2.gz LFPPMTQYCFYDMN-ZBFHGGJFSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366620010 534719849 /nfs/dbraw/zinc/71/98/49/534719849.db2.gz LFPPMTQYCFYDMN-ZBFHGGJFSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366619824 534721162 /nfs/dbraw/zinc/72/11/62/534721162.db2.gz LFPPMTQYCFYDMN-GDBMZVCRSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366619824 534721166 /nfs/dbraw/zinc/72/11/66/534721166.db2.gz LFPPMTQYCFYDMN-GDBMZVCRSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000304193211 534736318 /nfs/dbraw/zinc/73/63/18/534736318.db2.gz AWDWCPJIJOQTFG-KGLIPLIRSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CCCN1CCC[C@@H]([N@H+](C)CCC=C)CC1 ZINC000338568821 534770473 /nfs/dbraw/zinc/77/04/73/534770473.db2.gz GUEDEUMHJSWIAK-OAHLLOKOSA-N 1 3 236.403 2.925 20 30 BFEDHO C=CCCN1CCC[C@@H]([N@@H+](C)CCC=C)CC1 ZINC000338568821 534770476 /nfs/dbraw/zinc/77/04/76/534770476.db2.gz GUEDEUMHJSWIAK-OAHLLOKOSA-N 1 3 236.403 2.925 20 30 BFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895291906 583637603 /nfs/dbraw/zinc/63/76/03/583637603.db2.gz JPPTYZUJVSJTMF-MGPQQGTHSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@H]1CNCC1(C)C ZINC000902450517 584606695 /nfs/dbraw/zinc/60/66/95/584606695.db2.gz STHQRLBGBGZLFE-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000817932983 586840043 /nfs/dbraw/zinc/84/00/43/586840043.db2.gz YSVMNHGZNILGOX-STQMWFEESA-N 1 3 212.381 2.838 20 30 BFEDHO CCCCCCCN(C)CC(C)(C)C[NH3+] ZINC000118855034 589200491 /nfs/dbraw/zinc/20/04/91/589200491.db2.gz NAJHNCAJVCZROS-UHFFFAOYSA-N 1 3 214.397 2.874 20 30 BFEDHO CCCCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000863541239 589297473 /nfs/dbraw/zinc/29/74/73/589297473.db2.gz YWXLAMOWIGFFFU-KGLIPLIRSA-N 1 3 226.408 2.935 20 30 BFEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C ZINC000863546822 589298467 /nfs/dbraw/zinc/29/84/67/589298467.db2.gz MUCLNFMEBRDVDT-MELADBBJSA-N 1 3 224.392 2.851 20 30 BFEDHO CCCCCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122371366 589585110 /nfs/dbraw/zinc/58/51/10/589585110.db2.gz XJAACNCGRNBKDO-QWHCGFSZSA-N 1 3 212.381 2.626 20 30 BFEDHO CCCCCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122371366 589585112 /nfs/dbraw/zinc/58/51/12/589585112.db2.gz XJAACNCGRNBKDO-QWHCGFSZSA-N 1 3 212.381 2.626 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000873279595 590017818 /nfs/dbraw/zinc/01/78/18/590017818.db2.gz JHNCXGCIASJXSF-CHWSQXEVSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000878157121 590509246 /nfs/dbraw/zinc/50/92/46/590509246.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000878157121 590509249 /nfs/dbraw/zinc/50/92/49/590509249.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878157121 590509250 /nfs/dbraw/zinc/50/92/50/590509250.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157121 590509252 /nfs/dbraw/zinc/50/92/52/590509252.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 1 3 236.403 2.615 20 30 BFEDHO CCC#C[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879250392 590720911 /nfs/dbraw/zinc/72/09/11/590720911.db2.gz SQRXEACQPRLUIG-OAHLLOKOSA-N 1 3 248.414 2.596 20 30 BFEDHO C=CC[C@@H]1CC[N@@H+]1C/C=C/CN1CC[C@@H]1CC=C ZINC000934460560 631847412 /nfs/dbraw/zinc/84/74/12/631847412.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C/C[N@@H+]1CC[C@@H]1CC=C ZINC000934460560 631847400 /nfs/dbraw/zinc/84/74/00/631847400.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C/C[N@H+]1CC[C@@H]1CC=C ZINC000934460560 631847404 /nfs/dbraw/zinc/84/74/04/631847404.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CC[N@H+]1C/C=C/CN1CC[C@@H]1CC=C ZINC000934460560 631847408 /nfs/dbraw/zinc/84/74/08/631847408.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 1 3 246.398 2.843 20 30 BFEDHO CCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000303620661 635932224 /nfs/dbraw/zinc/93/22/24/635932224.db2.gz JJHIUSYHOVOCHP-AWEZNQCLSA-N 1 3 224.392 2.642 20 30 BFEDHO C=C(C)CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925680051 634277525 /nfs/dbraw/zinc/27/75/25/634277525.db2.gz GSDAXPLLHOPRDI-HUUCEWRRSA-N 1 3 236.403 2.711 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228988620 640909549 /nfs/dbraw/zinc/90/95/49/640909549.db2.gz NLAUCWSWXOTRPO-KBPBESRZSA-N 1 3 226.408 2.874 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228988620 640909554 /nfs/dbraw/zinc/90/95/54/640909554.db2.gz NLAUCWSWXOTRPO-KBPBESRZSA-N 1 3 226.408 2.874 20 30 BFEDHO CC[NH+](CC)[C@@H](C)CN[C@H](C)CC(C)(C)C#N ZINC000924617119 646079442 /nfs/dbraw/zinc/07/94/42/646079442.db2.gz IXGMVUQJCPTPOR-OLZOCXBDSA-N 1 3 239.407 2.635 20 30 BFEDHO CCCCCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000703727424 712086292 /nfs/dbraw/zinc/08/62/92/712086292.db2.gz MZIXFHBEAXCKKI-CYBMUJFWSA-N 1 3 226.408 2.935 20 30 BFEDHO C=C1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000724486329 710741469 /nfs/dbraw/zinc/74/14/69/710741469.db2.gz NZDROXBLNMFAFC-CABCVRRESA-N 1 3 236.403 2.840 20 30 BFEDHO C=CCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209163212 969365971 /nfs/dbraw/zinc/36/59/71/969365971.db2.gz WPWWTCUDSLBTEP-UHFFFAOYSA-N 1 3 222.376 2.511 20 30 BFEDHO C#CC(CC)(CC)NC1CC[NH+](C(C)C)CC1 ZINC001257202910 971124355 /nfs/dbraw/zinc/12/43/55/971124355.db2.gz QLFWHIIUGCZIFR-UHFFFAOYSA-N 1 3 236.403 2.641 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+](C)C[C@@H](C)CN)C[C@H](C1)C2 ZINC001257887534 971518099 /nfs/dbraw/zinc/51/80/99/971518099.db2.gz CNVWJLWIJIPSBS-RDGKXADDSA-N 1 3 236.403 2.648 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+](C)C[C@@H](C)CN)C[C@H](C1)C2 ZINC001257887534 971518104 /nfs/dbraw/zinc/51/81/04/971518104.db2.gz CNVWJLWIJIPSBS-RDGKXADDSA-N 1 3 236.403 2.648 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@@]3(CC)CCNC3)C[C@H](C1)C2 ZINC001246461244 972334471 /nfs/dbraw/zinc/33/44/71/972334471.db2.gz ODSSFSKAHCAFAV-QXULXFAOSA-N 1 3 248.414 2.853 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237745 972418771 /nfs/dbraw/zinc/41/87/71/972418771.db2.gz RYSXVTDGWCPUFX-OAHLLOKOSA-N 1 3 236.403 2.951 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237745 972418777 /nfs/dbraw/zinc/41/87/77/972418777.db2.gz RYSXVTDGWCPUFX-OAHLLOKOSA-N 1 3 236.403 2.951 20 30 BFEDHO CCCCCCC[C@@H](C)N1CC(C[NH3+])C1 ZINC000712588167 962929922 /nfs/dbraw/zinc/92/99/22/962929922.db2.gz XGHBAJHDZLDKQT-GFCCVEGCSA-N 1 3 212.381 2.626 20 30 BFEDHO CCCCCCC[N@@H+]1CCC[C@@](C)(N)C1 ZINC001204938125 967245426 /nfs/dbraw/zinc/24/54/26/967245426.db2.gz JCAMDVUAAUAGOV-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCC[N@H+]1CCC[C@@](C)(N)C1 ZINC001204938125 967245436 /nfs/dbraw/zinc/24/54/36/967245436.db2.gz JCAMDVUAAUAGOV-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO C=CCCCCCC[N@H+]1CCC[C@@](C)(N)C1 ZINC001204937827 967246077 /nfs/dbraw/zinc/24/60/77/967246077.db2.gz HBSLMLOPRIKXNY-CQSZACIVSA-N 1 3 224.392 2.936 20 30 BFEDHO C=CCCCCCC[N@@H+]1CCC[C@@](C)(N)C1 ZINC001204937827 967246086 /nfs/dbraw/zinc/24/60/86/967246086.db2.gz HBSLMLOPRIKXNY-CQSZACIVSA-N 1 3 224.392 2.936 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNCC[C@H]2C)CC1 ZINC001205325126 967543293 /nfs/dbraw/zinc/54/32/93/967543293.db2.gz JOPVAFCLTSOJFF-GDBMZVCRSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNCC[C@H]2C)CC1 ZINC001205325126 967543304 /nfs/dbraw/zinc/54/33/04/967543304.db2.gz JOPVAFCLTSOJFF-GDBMZVCRSA-N 1 3 248.414 2.973 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205905267 967880235 /nfs/dbraw/zinc/88/02/35/967880235.db2.gz ZVWVVZMXKBOXTJ-KBPBESRZSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205905267 967880236 /nfs/dbraw/zinc/88/02/36/967880236.db2.gz ZVWVVZMXKBOXTJ-KBPBESRZSA-N 1 3 224.392 2.792 20 30 BFEDHO C#CCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209269413 969423271 /nfs/dbraw/zinc/42/32/71/969423271.db2.gz JPABPEJHHLYQAG-HOTGVXAUSA-N 1 3 248.414 2.739 20 30 BFEDHO C#CCCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209269413 969423275 /nfs/dbraw/zinc/42/32/75/969423275.db2.gz JPABPEJHHLYQAG-HOTGVXAUSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCCCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235172195 978989964 /nfs/dbraw/zinc/98/99/64/978989964.db2.gz KQYUQPZHHCZFNS-OAHLLOKOSA-N 1 3 236.403 2.951 20 30 BFEDHO C=CCCCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235172195 978989969 /nfs/dbraw/zinc/98/99/69/978989969.db2.gz KQYUQPZHHCZFNS-OAHLLOKOSA-N 1 3 236.403 2.951 20 30 BFEDHO CCCCCCCCC[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210887 978998312 /nfs/dbraw/zinc/99/83/12/978998312.db2.gz PMQYHGCRACHVKK-WDNDVIMCSA-N 1 3 224.392 2.626 20 30 BFEDHO CCCCCCCCC[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210887 978998315 /nfs/dbraw/zinc/99/83/15/978998315.db2.gz PMQYHGCRACHVKK-WDNDVIMCSA-N 1 3 224.392 2.626 20 30 BFEDHO C=CCCCCCCCC[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283837 979018389 /nfs/dbraw/zinc/01/83/89/979018389.db2.gz GZJDVKKVEZRTAQ-QDMKHBRRSA-N 1 3 236.403 2.792 20 30 BFEDHO C=CCCCCCCCC[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283837 979018396 /nfs/dbraw/zinc/01/83/96/979018396.db2.gz GZJDVKKVEZRTAQ-QDMKHBRRSA-N 1 3 236.403 2.792 20 30 BFEDHO C=CCCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000300224069 984284025 /nfs/dbraw/zinc/28/40/25/984284025.db2.gz KSPPSWSAWPBYMM-ZIAGYGMSSA-N 1 3 224.392 2.650 20 30 BFEDHO C=CCCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000300224069 984284030 /nfs/dbraw/zinc/28/40/30/984284030.db2.gz KSPPSWSAWPBYMM-ZIAGYGMSSA-N 1 3 224.392 2.650 20 30 BFEDHO C=CCN(Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688047045 985523166 /nfs/dbraw/zinc/52/31/66/985523166.db2.gz DKEJEWMKJVTFPB-UHFFFAOYSA-N 1 3 248.395 2.544 20 30 BFEDHO N#C[C@@H]1CC[C@@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC001254638173 986686889 /nfs/dbraw/zinc/68/68/89/986686889.db2.gz XKAUWYZEJJWMLW-UKRRQHHQSA-N 1 3 249.402 2.662 20 30 BFEDHO N#C[C@@H]1CC[C@@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC001254638173 986686903 /nfs/dbraw/zinc/68/69/03/986686903.db2.gz XKAUWYZEJJWMLW-UKRRQHHQSA-N 1 3 249.402 2.662 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3CCN[C@@H](C)C3)C[C@H](C1)C2 ZINC001246109045 987440214 /nfs/dbraw/zinc/44/02/14/987440214.db2.gz IQCUBKUHJNFWBZ-FIZKIRAISA-N 1 3 248.414 2.851 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+]CC(C)(C)CN)C[C@H](C1)C2 ZINC001246250709 987648203 /nfs/dbraw/zinc/64/82/03/987648203.db2.gz RIFRHRXUMARFPH-PBWFPOADSA-N 1 3 236.403 2.696 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246611463 988239928 /nfs/dbraw/zinc/23/99/28/988239928.db2.gz TZTLVACDAJPUHC-ZIAGYGMSSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246611463 988239942 /nfs/dbraw/zinc/23/99/42/988239942.db2.gz TZTLVACDAJPUHC-ZIAGYGMSSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCCCCC[NH2+]CC12CC(C1)CN2 ZINC001574907219 992940556 /nfs/dbraw/zinc/94/05/56/992940556.db2.gz DMLYFHKRVBHHBB-UHFFFAOYSA-N 1 3 236.403 2.855 20 30 BFEDHO CCCCCCC[N@@H+]1CCC[C@H](N)CC1 ZINC000382318717 993448138 /nfs/dbraw/zinc/44/81/38/993448138.db2.gz SLKUEQIZFALTLZ-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCC[N@H+]1CCC[C@H](N)CC1 ZINC000382318717 993448141 /nfs/dbraw/zinc/44/81/41/993448141.db2.gz SLKUEQIZFALTLZ-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO C=C(C[NH2+][C@H]1CCCCC[C@@H]1N)c1ccccc1 ZINC000423022026 398161896 /nfs/dbraw/zinc/16/18/96/398161896.db2.gz DLOKXJYIZVTKSQ-HOTGVXAUSA-N 1 3 244.382 2.949 20 30 BFEDHO CC#CCN(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062049 344708470 /nfs/dbraw/zinc/70/84/70/344708470.db2.gz DRDNOMFSQSNNST-UHFFFAOYSA-N 1 3 244.382 2.593 20 30 BFEDHO C=CCC[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635012995 345212259 /nfs/dbraw/zinc/21/22/59/345212259.db2.gz YFZRIZKBYLJSTR-ZDUSSCGKSA-N 1 3 244.382 2.777 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635012990 345216617 /nfs/dbraw/zinc/21/66/17/345216617.db2.gz YFZRIZKBYLJSTR-CYBMUJFWSA-N 1 3 244.382 2.777 20 30 BFEDHO C#CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158849057 345377413 /nfs/dbraw/zinc/37/74/13/345377413.db2.gz SFCIXZZTMLSEQY-OAHLLOKOSA-N 1 3 248.414 2.596 20 30 BFEDHO C#CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158849057 345377416 /nfs/dbraw/zinc/37/74/16/345377416.db2.gz SFCIXZZTMLSEQY-OAHLLOKOSA-N 1 3 248.414 2.596 20 30 BFEDHO C=CCCSCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000596649662 348605191 /nfs/dbraw/zinc/60/51/91/348605191.db2.gz DNYJQPYAQDPZFY-CHWSQXEVSA-N 1 3 242.432 2.545 20 30 BFEDHO C=CCCSCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000596649665 348605405 /nfs/dbraw/zinc/60/54/05/348605405.db2.gz DNYJQPYAQDPZFY-STQMWFEESA-N 1 3 242.432 2.545 20 30 BFEDHO C=CCCC[N@H+]1C[C@H](CN)[C@@H](c2ccccc2)C1 ZINC000337085317 350555537 /nfs/dbraw/zinc/55/55/37/350555537.db2.gz ZHPMSEZZRKLDIV-JKSUJKDBSA-N 1 3 244.382 2.627 20 30 BFEDHO C=CCCC[N@@H+]1C[C@H](CN)[C@@H](c2ccccc2)C1 ZINC000337085317 350555538 /nfs/dbraw/zinc/55/55/38/350555538.db2.gz ZHPMSEZZRKLDIV-JKSUJKDBSA-N 1 3 244.382 2.627 20 30 BFEDHO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971316 353576247 /nfs/dbraw/zinc/57/62/47/353576247.db2.gz XOCSZJFOUDOUKR-UKRRQHHQSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCC1 ZINC000423166648 192602555 /nfs/dbraw/zinc/60/25/55/192602555.db2.gz VOBDOFLPCOKGPH-CHWSQXEVSA-N 1 3 224.392 2.838 20 30 BFEDHO CC(C)N(C)CCC[NH2+]CC(C)(C)CCC#N ZINC000230639750 357542995 /nfs/dbraw/zinc/54/29/95/357542995.db2.gz LDNWIMJVPBPUDX-UHFFFAOYSA-N 1 3 239.407 2.636 20 30 BFEDHO C=CCC[C@H]([NH2+]CCCNC(C)C)C1CC1 ZINC000583316350 357898590 /nfs/dbraw/zinc/89/85/90/357898590.db2.gz PMGUVJXXUYVMPZ-AWEZNQCLSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCN1CCC(C[N@@H+](C)CCCC)CC1 ZINC000052209171 358776542 /nfs/dbraw/zinc/77/65/42/358776542.db2.gz JSWYYNJMZTVSTO-UHFFFAOYSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCN1CCC(C[N@H+](C)CCCC)CC1 ZINC000052209171 358776544 /nfs/dbraw/zinc/77/65/44/358776544.db2.gz JSWYYNJMZTVSTO-UHFFFAOYSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCC[C@H](CCC)N[C@@H]1CCCC[NH2+]C1 ZINC000423551781 192812379 /nfs/dbraw/zinc/81/23/79/192812379.db2.gz JNPWXJJHNOUKEJ-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN[C@H]1CC ZINC000629390514 361036660 /nfs/dbraw/zinc/03/66/60/361036660.db2.gz REUNIDLHDCDZHF-HZSPNIEDSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCN(CCC[NH2+]C)CC1CCCCC1 ZINC000435886599 201295270 /nfs/dbraw/zinc/29/52/70/201295270.db2.gz ZLLQHJOFPDOIOI-UHFFFAOYSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CC[N@@H+](CCCNC)CC1CCCCC1 ZINC000435886599 201295273 /nfs/dbraw/zinc/29/52/73/201295273.db2.gz ZLLQHJOFPDOIOI-UHFFFAOYSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CC[N@H+](CCCNC)CC1CCCCC1 ZINC000435886599 201295275 /nfs/dbraw/zinc/29/52/75/201295275.db2.gz ZLLQHJOFPDOIOI-UHFFFAOYSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCC(C)(C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386376381 367958736 /nfs/dbraw/zinc/95/87/36/367958736.db2.gz CFLRAPZJKQOLKL-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000386812305 368024028 /nfs/dbraw/zinc/02/40/28/368024028.db2.gz RYTKEHLHLNLDOV-RRFJBIMHSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122208 371323559 /nfs/dbraw/zinc/32/35/59/371323559.db2.gz MERPKMSJODHBGS-UONOGXRCSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336654407 206018740 /nfs/dbraw/zinc/01/87/40/206018740.db2.gz HFEJWEURHGBSGE-UONOGXRCSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545753 384013965 /nfs/dbraw/zinc/01/39/65/384013965.db2.gz BNQZNYNABMSECI-ZIAGYGMSSA-N 1 3 236.403 2.996 20 30 BFEDHO C=C(CC)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000313477397 384414721 /nfs/dbraw/zinc/41/47/21/384414721.db2.gz CTVZQHWHJOUAAY-KBPBESRZSA-N 1 3 216.328 2.687 20 30 BFEDHO C=C(CC)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000313503646 384435324 /nfs/dbraw/zinc/43/53/24/384435324.db2.gz LZQLTFXDXIPIFS-QLFBSQMISA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423376934 384848269 /nfs/dbraw/zinc/84/82/69/384848269.db2.gz JKOFELMWHDDURV-FRRDWIJNSA-N 1 3 210.365 2.591 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423372853 384848996 /nfs/dbraw/zinc/84/89/96/384848996.db2.gz HIBZNCGQLAAKJN-HZSPNIEDSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN(C)C)C1CC1 ZINC000309586020 385711417 /nfs/dbraw/zinc/71/14/17/385711417.db2.gz RUAVXCPXBPZYTF-JSGCOSHPSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423373647 387230214 /nfs/dbraw/zinc/23/02/14/387230214.db2.gz HXHXLRRWEJSBBB-LBPRGKRZSA-N 1 3 230.355 2.734 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423408954 387246413 /nfs/dbraw/zinc/24/64/13/387246413.db2.gz YFQFKMMBOAWIFO-HZSPNIEDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@H](CCC)NC[C@@H](C)[NH2+]CC ZINC000423379526 387262196 /nfs/dbraw/zinc/26/21/96/387262196.db2.gz MBHOJBIGOYJBMY-OLZOCXBDSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000527733585 387682398 /nfs/dbraw/zinc/68/23/98/387682398.db2.gz DGBFAZJTGLAWNI-KBPBESRZSA-N 1 3 236.403 2.805 20 30 BFEDHO N#CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422973847 387823143 /nfs/dbraw/zinc/82/31/43/387823143.db2.gz PRBUUCFYNGWDSF-RRFJBIMHSA-N 1 3 249.402 2.581 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CC[C@H](C#N)C1 ZINC000442791018 387841748 /nfs/dbraw/zinc/84/17/48/387841748.db2.gz KDUQARAPTHQNHT-XGUBFFRZSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CC[C@H](C#N)C1 ZINC000442791018 387841755 /nfs/dbraw/zinc/84/17/55/387841755.db2.gz KDUQARAPTHQNHT-XGUBFFRZSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[C@H](C#N)C1 ZINC000442653602 387814392 /nfs/dbraw/zinc/81/43/92/387814392.db2.gz RBEJXAKPHHHHOY-ILXRZTDVSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[C@H](C#N)C1 ZINC000442653602 387814397 /nfs/dbraw/zinc/81/43/97/387814397.db2.gz RBEJXAKPHHHHOY-ILXRZTDVSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442653602 387814400 /nfs/dbraw/zinc/81/44/00/387814400.db2.gz RBEJXAKPHHHHOY-ILXRZTDVSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442653610 387814616 /nfs/dbraw/zinc/81/46/16/387814616.db2.gz RBEJXAKPHHHHOY-RBSFLKMASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442653610 387814619 /nfs/dbraw/zinc/81/46/19/387814619.db2.gz RBEJXAKPHHHHOY-RBSFLKMASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442653610 387814624 /nfs/dbraw/zinc/81/46/24/387814624.db2.gz RBEJXAKPHHHHOY-RBSFLKMASA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC1(C[NH2+][C@H](C)C[C@H](C)N)CCCC1 ZINC000423166650 387949850 /nfs/dbraw/zinc/94/98/50/387949850.db2.gz VOBDOFLPCOKGPH-QWHCGFSZSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423214682 387997106 /nfs/dbraw/zinc/99/71/06/387997106.db2.gz LUGLLTWPQDVCJH-IHRRRGAJSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000453225826 388016553 /nfs/dbraw/zinc/01/65/53/388016553.db2.gz CEQCOLJTVBFTEX-KBPBESRZSA-N 1 3 226.408 2.909 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423267998 388047116 /nfs/dbraw/zinc/04/71/16/388047116.db2.gz DDJLXSNZGWGJMG-MELADBBJSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000554883052 388834536 /nfs/dbraw/zinc/83/45/36/388834536.db2.gz TYLGLPYNFDKUBT-KKUMJFAQSA-N 1 3 238.419 2.907 20 30 BFEDHO C=CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000368446472 134218462 /nfs/dbraw/zinc/21/84/62/134218462.db2.gz XHZHXPAMZWMQMP-OAGGEKHMSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338568849 135041415 /nfs/dbraw/zinc/04/14/15/135041415.db2.gz AEPYZDMXPGYUML-ZIAGYGMSSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCCN(C)CC(C)C[N@H+](C)CCC=C ZINC000276461153 166257064 /nfs/dbraw/zinc/25/70/64/166257064.db2.gz QQISQZPZVNOWGG-UHFFFAOYSA-N 1 3 224.392 2.638 20 30 BFEDHO C=CCCN(C)CC(C)C[N@@H+](C)CCC=C ZINC000276461153 166257066 /nfs/dbraw/zinc/25/70/66/166257066.db2.gz QQISQZPZVNOWGG-UHFFFAOYSA-N 1 3 224.392 2.638 20 30 BFEDHO C=CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562085 166263558 /nfs/dbraw/zinc/26/35/58/166263558.db2.gz ARZLVZZTTCPESX-DZGCQCFKSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338562085 166263560 /nfs/dbraw/zinc/26/35/60/166263560.db2.gz ARZLVZZTTCPESX-DZGCQCFKSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000651748687 411141119 /nfs/dbraw/zinc/14/11/19/411141119.db2.gz UNVYQLTWLSXIMX-UKRRQHHQSA-N 1 3 234.387 2.583 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H](C)N ZINC000665230076 412168430 /nfs/dbraw/zinc/16/84/30/412168430.db2.gz IIBIJFZCHULYLH-RQJABVFESA-N 1 3 224.392 2.837 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H](C)N ZINC000665230077 412168441 /nfs/dbraw/zinc/16/84/41/412168441.db2.gz IIBIJFZCHULYLH-SYQHCUMBSA-N 1 3 224.392 2.837 20 30 BFEDHO C=CCC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 ZINC000665280928 412226860 /nfs/dbraw/zinc/22/68/60/412226860.db2.gz PKUHHDSEFRQHOL-ZIAGYGMSSA-N 1 3 224.392 2.694 20 30 BFEDHO C=CCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562533356 323023233 /nfs/dbraw/zinc/02/32/33/323023233.db2.gz NLPVXFCGKDLHHH-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000562533356 323023234 /nfs/dbraw/zinc/02/32/34/323023234.db2.gz NLPVXFCGKDLHHH-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000562533356 323023235 /nfs/dbraw/zinc/02/32/35/323023235.db2.gz NLPVXFCGKDLHHH-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179241 323205530 /nfs/dbraw/zinc/20/55/30/323205530.db2.gz RDBZIAWLFUXRNW-CHWSQXEVSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000130641863 325076292 /nfs/dbraw/zinc/07/62/92/325076292.db2.gz UXDQIFFPCLMLPJ-UHFFFAOYSA-N 1 3 222.376 2.559 20 30 BFEDHO CCC#C[C@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000677133161 487980650 /nfs/dbraw/zinc/98/06/50/487980650.db2.gz KPKIVWKOXVCPAN-HNNXBMFYSA-N 1 3 248.414 2.596 20 30 BFEDHO C=CCN(CC=C)Cc1cccc2c1CC[NH2+]C2 ZINC000123877991 491120886 /nfs/dbraw/zinc/12/08/86/491120886.db2.gz CBODQMAMCKRJAP-UHFFFAOYSA-N 1 3 242.366 2.506 20 30 BFEDHO C=C[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358317030 534508665 /nfs/dbraw/zinc/50/86/65/534508665.db2.gz JURDALDXSSASAF-CYBMUJFWSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCCCCC[C@H](C)N[C@H](C)C[NH2+]C ZINC000854231065 588780789 /nfs/dbraw/zinc/78/07/89/588780789.db2.gz DANSAOZRCOWNAA-QWHCGFSZSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CC[C@@H](CC)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902381728 584576753 /nfs/dbraw/zinc/57/67/53/584576753.db2.gz FSIPTHQVNQJEPU-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903177704 584733265 /nfs/dbraw/zinc/73/32/65/584733265.db2.gz AAWGGGYHXLDFBQ-LQDVMPOASA-N 1 3 248.414 2.946 20 30 BFEDHO C=CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177704 584733267 /nfs/dbraw/zinc/73/32/67/584733267.db2.gz AAWGGGYHXLDFBQ-LQDVMPOASA-N 1 3 248.414 2.946 20 30 BFEDHO C=CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903177704 584733269 /nfs/dbraw/zinc/73/32/69/584733269.db2.gz AAWGGGYHXLDFBQ-LQDVMPOASA-N 1 3 248.414 2.946 20 30 BFEDHO CCCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903466683 584779949 /nfs/dbraw/zinc/77/99/49/584779949.db2.gz YVDOQEWVPJWTCW-ZDUSSCGKSA-N 1 3 224.392 2.831 20 30 BFEDHO CCCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903466682 584780101 /nfs/dbraw/zinc/78/01/01/584780101.db2.gz YVDOQEWVPJWTCW-CYBMUJFWSA-N 1 3 224.392 2.831 20 30 BFEDHO C[C@H]1CN(CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903716546 584791698 /nfs/dbraw/zinc/79/16/98/584791698.db2.gz OSSLPZTYKPOBQZ-UONOGXRCSA-N 1 3 249.402 2.520 20 30 BFEDHO C=CCCC[N@@H+](CC)C[C@H]1CCCCNC1 ZINC000903850419 584808060 /nfs/dbraw/zinc/80/80/60/584808060.db2.gz QIPUFJSCCWQTJB-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCC[N@H+](CC)C[C@H]1CCCCNC1 ZINC000903850419 584808061 /nfs/dbraw/zinc/80/80/61/584808061.db2.gz QIPUFJSCCWQTJB-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCN(CC)C[C@H]1CCCC[NH2+]C1 ZINC000903850419 584808062 /nfs/dbraw/zinc/80/80/62/584808062.db2.gz QIPUFJSCCWQTJB-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000817932982 586840405 /nfs/dbraw/zinc/84/04/05/586840405.db2.gz YSVMNHGZNILGOX-QWHCGFSZSA-N 1 3 212.381 2.838 20 30 BFEDHO C=CCCCCC[C@H](C)N[C@H]1CCC[NH2+]C1 ZINC000817941487 586845286 /nfs/dbraw/zinc/84/52/86/586845286.db2.gz QXLHSEVLWGQNRG-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000848716873 588408010 /nfs/dbraw/zinc/40/80/10/588408010.db2.gz KKTNBHRVEYKFJT-ILXRZTDVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000873279598 590017088 /nfs/dbraw/zinc/01/70/88/590017088.db2.gz JHNCXGCIASJXSF-STQMWFEESA-N 1 3 224.392 2.696 20 30 BFEDHO C#CCCCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876940871 590259234 /nfs/dbraw/zinc/25/92/34/590259234.db2.gz ZKDDAJOAMVSDOA-JKSUJKDBSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940871 590259235 /nfs/dbraw/zinc/25/92/35/590259235.db2.gz ZKDDAJOAMVSDOA-JKSUJKDBSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000876940871 590259237 /nfs/dbraw/zinc/25/92/37/590259237.db2.gz ZKDDAJOAMVSDOA-JKSUJKDBSA-N 1 3 248.414 2.787 20 30 BFEDHO CCCCCCCC[NH2+]C1CCNCC1 ZINC000126793062 590446082 /nfs/dbraw/zinc/44/60/82/590446082.db2.gz VGAYPAQPTYHADZ-UHFFFAOYSA-N 1 3 212.381 2.689 20 30 BFEDHO CCC#C[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879250391 590720989 /nfs/dbraw/zinc/72/09/89/590720989.db2.gz SQRXEACQPRLUIG-HNNXBMFYSA-N 1 3 248.414 2.596 20 30 BFEDHO C#CCCCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880475680 591053221 /nfs/dbraw/zinc/05/32/21/591053221.db2.gz HGUJBOYKNWLEKA-UHFFFAOYSA-N 1 3 248.414 2.740 20 30 BFEDHO C=CCCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886711302 592307862 /nfs/dbraw/zinc/30/78/62/592307862.db2.gz SDJMUWLUBFWSAH-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=CCCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886711302 592307865 /nfs/dbraw/zinc/30/78/65/592307865.db2.gz SDJMUWLUBFWSAH-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=C(C)CC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887134944 592450033 /nfs/dbraw/zinc/45/00/33/592450033.db2.gz SUROYJWFEONIHZ-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(C)CC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887134944 592450035 /nfs/dbraw/zinc/45/00/35/592450035.db2.gz SUROYJWFEONIHZ-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000309182936 632696782 /nfs/dbraw/zinc/69/67/82/632696782.db2.gz GBXMKRKNRRXLBN-KGLIPLIRSA-N 1 3 224.392 2.840 20 30 BFEDHO C=CC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925601603 634127352 /nfs/dbraw/zinc/12/73/52/634127352.db2.gz MKQBLBVTGJSETB-AEGPPILISA-N 1 3 236.403 2.709 20 30 BFEDHO C=C(CC)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693842 634331292 /nfs/dbraw/zinc/33/12/92/634331292.db2.gz SGNZXBDTYGZSKN-LSDHHAIUSA-N 1 3 236.403 2.711 20 30 BFEDHO C=C(CC)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925693842 634331296 /nfs/dbraw/zinc/33/12/96/634331296.db2.gz SGNZXBDTYGZSKN-LSDHHAIUSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CC[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228903665 640903752 /nfs/dbraw/zinc/90/37/52/640903752.db2.gz VEKYHXKQYVMJDX-GDLCADMTSA-N 1 3 216.328 2.685 20 30 BFEDHO CC[NH+](CC)[C@H](C)CN[C@@H](C)CC(C)(C)C#N ZINC000924617120 646078433 /nfs/dbraw/zinc/07/84/33/646078433.db2.gz IXGMVUQJCPTPOR-QWHCGFSZSA-N 1 3 239.407 2.635 20 30 BFEDHO C=C[C@@H](C)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925254818 646220956 /nfs/dbraw/zinc/22/09/56/646220956.db2.gz AXJJLJHLRGBTJJ-CYBMUJFWSA-N 1 3 224.392 2.661 20 30 BFEDHO C=C[C@@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000925254818 646220959 /nfs/dbraw/zinc/22/09/59/646220959.db2.gz AXJJLJHLRGBTJJ-CYBMUJFWSA-N 1 3 224.392 2.661 20 30 BFEDHO C=C1CCC(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000724486332 710741378 /nfs/dbraw/zinc/74/13/78/710741378.db2.gz NZDROXBLNMFAFC-LSDHHAIUSA-N 1 3 236.403 2.840 20 30 BFEDHO CCCCCCC[C@@H](CC)[NH2+]CC1CNC1 ZINC001246090326 972144247 /nfs/dbraw/zinc/14/42/47/972144247.db2.gz DUYBIUAQBVVLLY-CQSZACIVSA-N 1 3 226.408 2.935 20 30 BFEDHO CC[NH+](CC)CCCN[C@@H](C)CC(C)(C)C#N ZINC000695843118 960506618 /nfs/dbraw/zinc/50/66/18/960506618.db2.gz OCFQIEHHYJBBSJ-ZDUSSCGKSA-N 1 3 239.407 2.636 20 30 BFEDHO C=C(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961057 962870345 /nfs/dbraw/zinc/87/03/45/962870345.db2.gz DWIATYIRVHRKOI-GOOCMWNKSA-N 1 3 234.387 2.558 20 30 BFEDHO C=C(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961057 962870354 /nfs/dbraw/zinc/87/03/54/962870354.db2.gz DWIATYIRVHRKOI-GOOCMWNKSA-N 1 3 234.387 2.558 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC[C@@H](C)C2)CC1 ZINC001206269725 968185816 /nfs/dbraw/zinc/18/58/16/968185816.db2.gz SXPMXXJNYFSMBZ-GDBMZVCRSA-N 1 3 248.414 2.830 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC[C@@H](C)C2)CC1 ZINC001206269725 968185823 /nfs/dbraw/zinc/18/58/23/968185823.db2.gz SXPMXXJNYFSMBZ-GDBMZVCRSA-N 1 3 248.414 2.830 20 30 BFEDHO C=CCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222616179 972603925 /nfs/dbraw/zinc/60/39/25/972603925.db2.gz YYCJMQFMCPXKIA-LSDHHAIUSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222616179 972603928 /nfs/dbraw/zinc/60/39/28/972603928.db2.gz YYCJMQFMCPXKIA-LSDHHAIUSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171620800 974116553 /nfs/dbraw/zinc/11/65/53/974116553.db2.gz FQRKRFDFPRDPSV-UHFFFAOYSA-N 1 3 224.392 2.804 20 30 BFEDHO CCC[N@H+](CCCN)C1CCC(C)(C#N)CC1 ZINC001173584991 975424283 /nfs/dbraw/zinc/42/42/83/975424283.db2.gz VMHQMXIQHRROFB-UHFFFAOYSA-N 1 3 237.391 2.520 20 30 BFEDHO CCC[N@@H+](CCCN)C1CCC(C)(C#N)CC1 ZINC001173584991 975424306 /nfs/dbraw/zinc/42/43/06/975424306.db2.gz VMHQMXIQHRROFB-UHFFFAOYSA-N 1 3 237.391 2.520 20 30 BFEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@H](C[NH3+])C2)CC1 ZINC001235673576 979111905 /nfs/dbraw/zinc/11/19/05/979111905.db2.gz OQRJWJYHIKJETH-HZPDHXFCSA-N 1 3 248.414 2.960 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001246111704 987444606 /nfs/dbraw/zinc/44/46/06/987444606.db2.gz LOVTXFZFLPXDLH-HIFPTAJRSA-N 1 3 212.381 2.815 20 30 BFEDHO CCCCCCC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246149090 987497454 /nfs/dbraw/zinc/49/74/54/987497454.db2.gz QRYCCDNEVXXQIT-IGQOVBAYSA-N 1 3 224.392 2.543 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246445896 987804717 /nfs/dbraw/zinc/80/47/17/987804717.db2.gz QNQCLOKUMMWLRB-STQMWFEESA-N 1 3 224.392 2.687 20 30 BFEDHO CCCCCCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246445896 987804720 /nfs/dbraw/zinc/80/47/20/987804720.db2.gz QNQCLOKUMMWLRB-STQMWFEESA-N 1 3 224.392 2.687 20 30 BFEDHO CCCCCCC[C@@H](C)NC12CC([NH3+])(C1)C2 ZINC001246499121 987852560 /nfs/dbraw/zinc/85/25/60/987852560.db2.gz BJXQWPATSJANAM-IYXRBSQSSA-N 1 3 224.392 2.959 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246610787 988237875 /nfs/dbraw/zinc/23/78/75/988237875.db2.gz NTGKAVZNMVQHST-LSDHHAIUSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246610787 988237897 /nfs/dbraw/zinc/23/78/97/988237897.db2.gz NTGKAVZNMVQHST-LSDHHAIUSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246610785 988244688 /nfs/dbraw/zinc/24/46/88/988244688.db2.gz NTGKAVZNMVQHST-HUUCEWRRSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246610785 988244709 /nfs/dbraw/zinc/24/47/09/988244709.db2.gz NTGKAVZNMVQHST-HUUCEWRRSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246611462 988245052 /nfs/dbraw/zinc/24/50/52/988245052.db2.gz TZTLVACDAJPUHC-UONOGXRCSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246611462 988245078 /nfs/dbraw/zinc/24/50/78/988245078.db2.gz TZTLVACDAJPUHC-UONOGXRCSA-N 1 3 222.376 2.559 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(CCN4)C3)C[C@H](C1)C2 ZINC001246636590 988323126 /nfs/dbraw/zinc/32/31/26/988323126.db2.gz OEUSSNCAYVEUEU-QXULXFAOSA-N 1 3 246.398 2.559 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(CCN4)C3)C[C@H](C1)C2 ZINC001246636590 988323139 /nfs/dbraw/zinc/32/31/39/988323139.db2.gz OEUSSNCAYVEUEU-QXULXFAOSA-N 1 3 246.398 2.559 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246650966 988380274 /nfs/dbraw/zinc/38/02/74/988380274.db2.gz KXUBVABXVJNRSF-CABCVRRESA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246650966 988380281 /nfs/dbraw/zinc/38/02/81/988380281.db2.gz KXUBVABXVJNRSF-CABCVRRESA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[C@@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650966 988380283 /nfs/dbraw/zinc/38/02/83/988380283.db2.gz KXUBVABXVJNRSF-CABCVRRESA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246785359 988460939 /nfs/dbraw/zinc/46/09/39/988460939.db2.gz AJKBQVHNFYKAIJ-UHFFFAOYSA-N 1 3 244.382 2.817 20 30 BFEDHO C=CCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246785359 988460947 /nfs/dbraw/zinc/46/09/47/988460947.db2.gz AJKBQVHNFYKAIJ-UHFFFAOYSA-N 1 3 244.382 2.817 20 30 BFEDHO C=CCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246785359 988460955 /nfs/dbraw/zinc/46/09/55/988460955.db2.gz AJKBQVHNFYKAIJ-UHFFFAOYSA-N 1 3 244.382 2.817 20 30 BFEDHO C=CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC001246919729 988729922 /nfs/dbraw/zinc/72/99/22/988729922.db2.gz KFZCIPHZBUZMQC-FUNVUKJBSA-N 1 3 222.376 2.556 20 30 BFEDHO CC#CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000607726663 342782405 /nfs/dbraw/zinc/78/24/05/342782405.db2.gz NFKNOODKPQCDDJ-UHFFFAOYSA-N 1 3 248.414 2.598 20 30 BFEDHO C=CCN(CC=C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943026 343017335 /nfs/dbraw/zinc/01/73/35/343017335.db2.gz OXKFEOOCHYEOST-UHFFFAOYSA-N 1 3 242.366 2.506 20 30 BFEDHO C=CCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350763636 166234075 /nfs/dbraw/zinc/23/40/75/166234075.db2.gz MWXYEPMZNLBRNB-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350763636 166234076 /nfs/dbraw/zinc/23/40/76/166234076.db2.gz MWXYEPMZNLBRNB-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000350763636 166234077 /nfs/dbraw/zinc/23/40/77/166234077.db2.gz MWXYEPMZNLBRNB-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000350763636 166234078 /nfs/dbraw/zinc/23/40/78/166234078.db2.gz MWXYEPMZNLBRNB-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C[C@@H](CCCC[NH3+])NCC1(C#N)CCCCC1 ZINC000596652371 348607328 /nfs/dbraw/zinc/60/73/28/348607328.db2.gz PUIKPTHXDVJJAT-ZDUSSCGKSA-N 1 3 237.391 2.568 20 30 BFEDHO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971292 353576426 /nfs/dbraw/zinc/57/64/26/353576426.db2.gz XOCSZJFOUDOUKR-DZGCQCFKSA-N 1 3 249.402 2.531 20 30 BFEDHO CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000335147352 354860805 /nfs/dbraw/zinc/86/08/05/354860805.db2.gz TXOQOTVUUARCMD-FEWQNLEASA-N 1 3 249.402 2.566 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000352044447 134045880 /nfs/dbraw/zinc/04/58/80/134045880.db2.gz HQKDYKDBTKWANP-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000352044447 134045881 /nfs/dbraw/zinc/04/58/81/134045881.db2.gz HQKDYKDBTKWANP-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=C(C)CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000352044447 134045882 /nfs/dbraw/zinc/04/58/82/134045882.db2.gz HQKDYKDBTKWANP-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049553073 356480177 /nfs/dbraw/zinc/48/01/77/356480177.db2.gz WVQUSUGVCCCARG-STQMWFEESA-N 1 3 245.370 2.549 20 30 BFEDHO CC(C)(C)[NH+]1CCC(N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336459342 134147716 /nfs/dbraw/zinc/14/77/16/134147716.db2.gz NACSDDHCMAZRNJ-OCCSQVGLSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000370676411 134226854 /nfs/dbraw/zinc/22/68/54/134226854.db2.gz KMYHTZJHEHCOTQ-KKUMJFAQSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075836434 359226512 /nfs/dbraw/zinc/22/65/12/359226512.db2.gz TUVCCBXAKDSWFA-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075836434 359226517 /nfs/dbraw/zinc/22/65/17/359226517.db2.gz TUVCCBXAKDSWFA-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836434 359226521 /nfs/dbraw/zinc/22/65/21/359226521.db2.gz TUVCCBXAKDSWFA-HNNXBMFYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CC(C)(C)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000629509685 361103211 /nfs/dbraw/zinc/10/32/11/361103211.db2.gz HLVRHTXBQDBJRW-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H](CC)[C@@H]1CCCN1 ZINC000629509685 361103215 /nfs/dbraw/zinc/10/32/15/361103215.db2.gz HLVRHTXBQDBJRW-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629510413 361108860 /nfs/dbraw/zinc/10/88/60/361108860.db2.gz SYTQFNICKROVPN-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCC[N@@H+](C)CCCN(CC)CC ZINC000172180088 365297953 /nfs/dbraw/zinc/29/79/53/365297953.db2.gz RWMMRFKHNYRZOU-UHFFFAOYSA-N 1 3 212.381 2.616 20 30 BFEDHO C=CCCC[N@H+](C)CCCN(CC)CC ZINC000172180088 365297958 /nfs/dbraw/zinc/29/79/58/365297958.db2.gz RWMMRFKHNYRZOU-UHFFFAOYSA-N 1 3 212.381 2.616 20 30 BFEDHO C=CCCCN(C)CCC[NH+](CC)CC ZINC000172180088 365297965 /nfs/dbraw/zinc/29/79/65/365297965.db2.gz RWMMRFKHNYRZOU-UHFFFAOYSA-N 1 3 212.381 2.616 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000580843695 367186522 /nfs/dbraw/zinc/18/65/22/367186522.db2.gz GPFFHMDAMUTSCS-KBPBESRZSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CC(C)(C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000385016201 367773032 /nfs/dbraw/zinc/77/30/32/367773032.db2.gz YYTNYIBUDFHXQV-KGLIPLIRSA-N 1 3 230.355 2.933 20 30 BFEDHO C=CC(C)(C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000385016208 367772217 /nfs/dbraw/zinc/77/22/17/367772217.db2.gz YYTNYIBUDFHXQV-UONOGXRCSA-N 1 3 230.355 2.933 20 30 BFEDHO C=CCC(C)(C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386376380 367958779 /nfs/dbraw/zinc/95/87/79/367958779.db2.gz CFLRAPZJKQOLKL-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000386812308 368024167 /nfs/dbraw/zinc/02/41/67/368024167.db2.gz RYTKEHLHLNLDOV-SOUVJXGZSA-N 1 3 236.403 2.853 20 30 BFEDHO C#CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158849204 384296539 /nfs/dbraw/zinc/29/65/39/384296539.db2.gz SFCIXZZTMLSEQY-HNNXBMFYSA-N 1 3 248.414 2.596 20 30 BFEDHO C#CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158849204 384296544 /nfs/dbraw/zinc/29/65/44/384296544.db2.gz SFCIXZZTMLSEQY-HNNXBMFYSA-N 1 3 248.414 2.596 20 30 BFEDHO C=CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275653276 384407017 /nfs/dbraw/zinc/40/70/17/384407017.db2.gz FDTDOEVKIQJISQ-GOEBONIOSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275653276 384407020 /nfs/dbraw/zinc/40/70/20/384407020.db2.gz FDTDOEVKIQJISQ-GOEBONIOSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423372857 384849285 /nfs/dbraw/zinc/84/92/85/384849285.db2.gz HIBZNCGQLAAKJN-RDBSUJKOSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000336654405 385733551 /nfs/dbraw/zinc/73/35/51/385733551.db2.gz HFEJWEURHGBSGE-KBPBESRZSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000309659066 385779547 /nfs/dbraw/zinc/77/95/47/385779547.db2.gz QURGTGKUKPLXBO-KGLIPLIRSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000309659066 385779550 /nfs/dbraw/zinc/77/95/50/385779550.db2.gz QURGTGKUKPLXBO-KGLIPLIRSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423337945 387185746 /nfs/dbraw/zinc/18/57/46/387185746.db2.gz UNUPZAUQXUMOOC-BFHYXJOUSA-N 1 3 224.392 2.566 20 30 BFEDHO C[NH+](C)C1(CN[C@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000442632636 387810939 /nfs/dbraw/zinc/81/09/39/387810939.db2.gz FJUOAHIRKBREKZ-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423027101 387844402 /nfs/dbraw/zinc/84/44/02/387844402.db2.gz OGHFTZKCZNRDBA-HABKJSAYSA-N 1 3 222.376 2.604 20 30 BFEDHO C=C(CN[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000423027164 387844707 /nfs/dbraw/zinc/84/47/07/387844707.db2.gz OMCAIPVQYRELLD-CVEARBPZSA-N 1 3 244.382 2.807 20 30 BFEDHO C=C(C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000423027164 387844709 /nfs/dbraw/zinc/84/47/09/387844709.db2.gz OMCAIPVQYRELLD-CVEARBPZSA-N 1 3 244.382 2.807 20 30 BFEDHO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423096142 387884482 /nfs/dbraw/zinc/88/44/82/387884482.db2.gz GYZAMJXCYPIQNZ-DGCLKSJQSA-N 1 3 247.386 2.854 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCNC1 ZINC000423205267 387991086 /nfs/dbraw/zinc/99/10/86/387991086.db2.gz FCCHYIOHRFYDMC-KGLIPLIRSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000453225827 388015551 /nfs/dbraw/zinc/01/55/51/388015551.db2.gz CEQCOLJTVBFTEX-KGLIPLIRSA-N 1 3 226.408 2.909 20 30 BFEDHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(C#N)cc1 ZINC000423279831 388689087 /nfs/dbraw/zinc/68/90/87/388689087.db2.gz SPUQQSXJEBXGQH-CABCVRRESA-N 1 3 245.370 2.582 20 30 BFEDHO C=C(C)CCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000352006087 134034416 /nfs/dbraw/zinc/03/44/16/134034416.db2.gz SMSCHERSXHQTJS-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000352006087 134034417 /nfs/dbraw/zinc/03/44/17/134034417.db2.gz SMSCHERSXHQTJS-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000352006087 134034418 /nfs/dbraw/zinc/03/44/18/134034418.db2.gz SMSCHERSXHQTJS-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000352028582 134044008 /nfs/dbraw/zinc/04/40/08/134044008.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000352028582 134044009 /nfs/dbraw/zinc/04/40/09/134044009.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000352028582 134044010 /nfs/dbraw/zinc/04/40/10/134044010.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000352028582 134044011 /nfs/dbraw/zinc/04/40/11/134044011.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO CC(C)(C)[NH+]1CCC(N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000336459341 134147745 /nfs/dbraw/zinc/14/77/45/134147745.db2.gz NACSDDHCMAZRNJ-JSGCOSHPSA-N 1 3 249.402 2.531 20 30 BFEDHO CCC[NH+]1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000361441321 134205609 /nfs/dbraw/zinc/20/56/09/134205609.db2.gz UZOOFFLRDAONPL-ZFWWWQNUSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252803949 135111180 /nfs/dbraw/zinc/11/11/80/135111180.db2.gz CJOUAFWDJLAVJZ-IHRRRGAJSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCN(C)Cc1ccccc1C[N@H+](C)CC=C ZINC000121332872 135222249 /nfs/dbraw/zinc/22/22/49/135222249.db2.gz RFTYUNABRHOWRS-UHFFFAOYSA-N 1 3 244.382 2.922 20 30 BFEDHO C=CCN(C)Cc1ccccc1C[N@@H+](C)CC=C ZINC000121332872 135222250 /nfs/dbraw/zinc/22/22/50/135222250.db2.gz RFTYUNABRHOWRS-UHFFFAOYSA-N 1 3 244.382 2.922 20 30 BFEDHO CC(C)N(CC#CC[N@H+](C(C)C)C1CC1)C1CC1 ZINC000341830991 135243104 /nfs/dbraw/zinc/24/31/04/135243104.db2.gz IBYNXAJQYIPYAG-UHFFFAOYSA-N 1 3 248.414 2.735 20 30 BFEDHO CC(C)N(CC#CC[N@@H+](C(C)C)C1CC1)C1CC1 ZINC000341830991 135243105 /nfs/dbraw/zinc/24/31/05/135243105.db2.gz IBYNXAJQYIPYAG-UHFFFAOYSA-N 1 3 248.414 2.735 20 30 BFEDHO C[C@@H]1CC[C@@H](C)N1CC#CC[NH+]1[C@H](C)CC[C@H]1C ZINC000263613673 135361197 /nfs/dbraw/zinc/36/11/97/135361197.db2.gz ZOBJQBSGGXBNDB-KLHDSHLOSA-N 1 3 248.414 2.735 20 30 BFEDHO C=CCC[C@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414923828 398100285 /nfs/dbraw/zinc/10/02/85/398100285.db2.gz GDVODNOREOSHKR-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350763637 166234086 /nfs/dbraw/zinc/23/40/86/166234086.db2.gz MWXYEPMZNLBRNB-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350763637 166234087 /nfs/dbraw/zinc/23/40/87/166234087.db2.gz MWXYEPMZNLBRNB-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000350763637 166234088 /nfs/dbraw/zinc/23/40/88/166234088.db2.gz MWXYEPMZNLBRNB-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000350763637 166234089 /nfs/dbraw/zinc/23/40/89/166234089.db2.gz MWXYEPMZNLBRNB-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=C(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656198467 411203469 /nfs/dbraw/zinc/20/34/69/411203469.db2.gz WLLOVXFSRXMTLK-GJZGRUSLSA-N 1 3 230.355 2.559 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995222 487925085 /nfs/dbraw/zinc/92/50/85/487925085.db2.gz GPCJIGCJWAYIPV-QWHCGFSZSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000651680299 491073654 /nfs/dbraw/zinc/07/36/54/491073654.db2.gz FTACHARIYKDZMZ-QKPAOTATSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000341448797 534358769 /nfs/dbraw/zinc/35/87/69/534358769.db2.gz DHBNFECZOGVAMM-AJNGGQMLSA-N 1 3 236.403 2.804 20 30 BFEDHO C=C(C)CN(C)[C@@H](C)CC[N@H+](C)CC(=C)C ZINC000351093042 538700977 /nfs/dbraw/zinc/70/09/77/538700977.db2.gz AKEYKYQMXNKLRB-AWEZNQCLSA-N 1 3 224.392 2.781 20 30 BFEDHO C=C(C)CN(C)[C@@H](C)CC[N@@H+](C)CC(=C)C ZINC000351093042 538700984 /nfs/dbraw/zinc/70/09/84/538700984.db2.gz AKEYKYQMXNKLRB-AWEZNQCLSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902387250 584578909 /nfs/dbraw/zinc/57/89/09/584578909.db2.gz ILHIVBYJSRGXPJ-CYBMUJFWSA-N 1 3 238.419 2.957 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902387253 584579068 /nfs/dbraw/zinc/57/90/68/584579068.db2.gz ILHIVBYJSRGXPJ-ZDUSSCGKSA-N 1 3 238.419 2.957 20 30 BFEDHO C#CCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000754465571 585285039 /nfs/dbraw/zinc/28/50/39/585285039.db2.gz PAWFBPOGZPIHCW-CABCVRRESA-N 1 3 248.414 2.642 20 30 BFEDHO C=C(C)CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000779145549 585745837 /nfs/dbraw/zinc/74/58/37/585745837.db2.gz WYAIWMBPAZODTG-UHFFFAOYSA-N 1 3 232.371 2.756 20 30 BFEDHO CCCCCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000116927271 589058651 /nfs/dbraw/zinc/05/86/51/589058651.db2.gz QFVYABBPZQTUIK-HUUCEWRRSA-N 1 3 238.419 2.888 20 30 BFEDHO N#CCCNCCCCCCC[NH+]1CCCC1 ZINC000818975058 586919448 /nfs/dbraw/zinc/91/94/48/586919448.db2.gz RCMHXZOZWDBZHB-UHFFFAOYSA-N 1 3 237.391 2.536 20 30 BFEDHO C=CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000848716874 588407897 /nfs/dbraw/zinc/40/78/97/588407897.db2.gz KKTNBHRVEYKFJT-KFWWJZLASA-N 1 3 245.370 2.558 20 30 BFEDHO CCCCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000863541237 589297250 /nfs/dbraw/zinc/29/72/50/589297250.db2.gz YWXLAMOWIGFFFU-KBPBESRZSA-N 1 3 226.408 2.935 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000873279596 590017947 /nfs/dbraw/zinc/01/79/47/590017947.db2.gz JHNCXGCIASJXSF-OLZOCXBDSA-N 1 3 224.392 2.696 20 30 BFEDHO C#CCCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876940868 590259222 /nfs/dbraw/zinc/25/92/22/590259222.db2.gz ZKDDAJOAMVSDOA-CVEARBPZSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940868 590259224 /nfs/dbraw/zinc/25/92/24/590259224.db2.gz ZKDDAJOAMVSDOA-CVEARBPZSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000876940868 590259226 /nfs/dbraw/zinc/25/92/26/590259226.db2.gz ZKDDAJOAMVSDOA-CVEARBPZSA-N 1 3 248.414 2.787 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000878132830 590503501 /nfs/dbraw/zinc/50/35/01/590503501.db2.gz CLGGHGJGWQYDPJ-HUUCEWRRSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000878132830 590503503 /nfs/dbraw/zinc/50/35/03/590503503.db2.gz CLGGHGJGWQYDPJ-HUUCEWRRSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878132830 590503504 /nfs/dbraw/zinc/50/35/04/590503504.db2.gz CLGGHGJGWQYDPJ-HUUCEWRRSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000878157120 590509589 /nfs/dbraw/zinc/50/95/89/590509589.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000878157120 590509590 /nfs/dbraw/zinc/50/95/90/590509590.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878157120 590509591 /nfs/dbraw/zinc/50/95/91/590509591.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157120 590509592 /nfs/dbraw/zinc/50/95/92/590509592.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 1 3 236.403 2.615 20 30 BFEDHO C=C(C)CC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258860 590979235 /nfs/dbraw/zinc/97/92/35/590979235.db2.gz DJHYWHFKCYBSBV-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(C)CC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258860 590979237 /nfs/dbraw/zinc/97/92/37/590979237.db2.gz DJHYWHFKCYBSBV-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887136022 592451989 /nfs/dbraw/zinc/45/19/89/592451989.db2.gz GQYGIZQOTGMQJT-KBPBESRZSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887136022 592451992 /nfs/dbraw/zinc/45/19/92/592451992.db2.gz GQYGIZQOTGMQJT-KBPBESRZSA-N 1 3 245.370 2.557 20 30 BFEDHO C=C1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925835906 635490889 /nfs/dbraw/zinc/49/08/89/635490889.db2.gz VBMRUOUJRIQOHB-CQSZACIVSA-N 1 3 234.387 2.607 20 30 BFEDHO C=CC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925601620 634128238 /nfs/dbraw/zinc/12/82/38/634128238.db2.gz MKQBLBVTGJSETB-QEJZJMRPSA-N 1 3 236.403 2.709 20 30 BFEDHO C=CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925655811 634218745 /nfs/dbraw/zinc/21/87/45/634218745.db2.gz WPDNQHFZQFOJQJ-GJZGRUSLSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCC[N@@H+](CC)C[C@]1(C)CCCNC1 ZINC000904471524 637426459 /nfs/dbraw/zinc/42/64/59/637426459.db2.gz IFORXMQKCHBFEW-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCC[N@H+](CC)C[C@]1(C)CCCNC1 ZINC000904471524 637426464 /nfs/dbraw/zinc/42/64/64/637426464.db2.gz IFORXMQKCHBFEW-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CC(C)(C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925682713 646409501 /nfs/dbraw/zinc/40/95/01/646409501.db2.gz DHBLXLKGDZUEOL-AGIUHOORSA-N 1 3 236.403 2.565 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228988610 711759285 /nfs/dbraw/zinc/75/92/85/711759285.db2.gz NLAUCWSWXOTRPO-KGLIPLIRSA-N 1 3 226.408 2.874 20 30 BFEDHO C=C1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000724486330 710741034 /nfs/dbraw/zinc/74/10/34/710741034.db2.gz NZDROXBLNMFAFC-GJZGRUSLSA-N 1 3 236.403 2.840 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228988610 711759284 /nfs/dbraw/zinc/75/92/84/711759284.db2.gz NLAUCWSWXOTRPO-KGLIPLIRSA-N 1 3 226.408 2.874 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@@H](N)CC1 ZINC001205094298 965725197 /nfs/dbraw/zinc/72/51/97/965725197.db2.gz LERSKDKASCHAHX-CYBMUJFWSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@@H](N)CC1 ZINC001205094298 965725207 /nfs/dbraw/zinc/72/52/07/965725207.db2.gz LERSKDKASCHAHX-CYBMUJFWSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCC[NH2+][C@@H](C)CCN(CC)CC ZINC001255948046 970584691 /nfs/dbraw/zinc/58/46/91/970584691.db2.gz DATCOXFIGKNWBJ-ZDUSSCGKSA-N 1 3 212.381 2.663 20 30 BFEDHO C=CCCCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235172194 978990638 /nfs/dbraw/zinc/99/06/38/978990638.db2.gz KQYUQPZHHCZFNS-HNNXBMFYSA-N 1 3 236.403 2.951 20 30 BFEDHO C=CCCCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235172194 978990642 /nfs/dbraw/zinc/99/06/42/978990642.db2.gz KQYUQPZHHCZFNS-HNNXBMFYSA-N 1 3 236.403 2.951 20 30 BFEDHO C#CC1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256575443 970867322 /nfs/dbraw/zinc/86/73/22/970867322.db2.gz NQMZFSXRYUSKJQ-UHFFFAOYSA-N 1 3 248.414 2.595 20 30 BFEDHO CCCCCCCC[N@@H+]1CC[C@](C)(N)C1 ZINC000405807145 971313342 /nfs/dbraw/zinc/31/33/42/971313342.db2.gz RTCYGPJGRQZVGH-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCCC[N@H+]1CC[C@](C)(N)C1 ZINC000405807145 971313345 /nfs/dbraw/zinc/31/33/45/971313345.db2.gz RTCYGPJGRQZVGH-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCCC[N@@H+]1CC[C@@](C)(N)C1 ZINC000405807144 971311777 /nfs/dbraw/zinc/31/17/77/971311777.db2.gz RTCYGPJGRQZVGH-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCCC[N@H+]1CC[C@@](C)(N)C1 ZINC000405807144 971311785 /nfs/dbraw/zinc/31/17/85/971311785.db2.gz RTCYGPJGRQZVGH-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO CC[NH+](CC)CCCN[C@H](C)CC(C)(C)C#N ZINC000695843115 960505522 /nfs/dbraw/zinc/50/55/22/960505522.db2.gz OCFQIEHHYJBBSJ-CYBMUJFWSA-N 1 3 239.407 2.636 20 30 BFEDHO C=CCCCCCC[N@H+]1CC[C@@](C)(N)C1 ZINC001204763902 967156107 /nfs/dbraw/zinc/15/61/07/967156107.db2.gz RRXNVIRFNUQLJA-CYBMUJFWSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCCC[N@@H+]1CC[C@@](C)(N)C1 ZINC001204763902 967156117 /nfs/dbraw/zinc/15/61/17/967156117.db2.gz RRXNVIRFNUQLJA-CYBMUJFWSA-N 1 3 210.365 2.546 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615701 972604379 /nfs/dbraw/zinc/60/43/79/972604379.db2.gz RTMPFRKOMVXFQA-UONOGXRCSA-N 1 3 224.392 2.641 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615701 972604384 /nfs/dbraw/zinc/60/43/84/972604384.db2.gz RTMPFRKOMVXFQA-UONOGXRCSA-N 1 3 224.392 2.641 20 30 BFEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172488903 974833409 /nfs/dbraw/zinc/83/34/09/974833409.db2.gz XHGNAKYDMOBADJ-ZDUSSCGKSA-N 1 3 249.402 2.662 20 30 BFEDHO N#C[C@@H]1CC[C@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC001254638172 986682076 /nfs/dbraw/zinc/68/20/76/986682076.db2.gz XKAUWYZEJJWMLW-HIFRSBDPSA-N 1 3 249.402 2.662 20 30 BFEDHO N#C[C@@H]1CC[C@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC001254638172 986682083 /nfs/dbraw/zinc/68/20/83/986682083.db2.gz XKAUWYZEJJWMLW-HIFRSBDPSA-N 1 3 249.402 2.662 20 30 BFEDHO CCCCCCC[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246148749 987506487 /nfs/dbraw/zinc/50/64/87/987506487.db2.gz QRYCCDNEVXXQIT-YIYPIFLZSA-N 1 3 224.392 2.543 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246149019 987506679 /nfs/dbraw/zinc/50/66/79/987506679.db2.gz PNSSPXWHMJIRSG-KBXIAJHMSA-N 1 3 238.419 2.933 20 30 BFEDHO CCCCCCC[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246148748 987508569 /nfs/dbraw/zinc/50/85/69/987508569.db2.gz QRYCCDNEVXXQIT-FQUUOJAGSA-N 1 3 224.392 2.543 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001246324360 987724382 /nfs/dbraw/zinc/72/43/82/987724382.db2.gz KOJLLHRVHVFLCU-QWHCGFSZSA-N 1 3 214.397 2.920 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246445895 987805499 /nfs/dbraw/zinc/80/54/99/987805499.db2.gz QNQCLOKUMMWLRB-QWHCGFSZSA-N 1 3 224.392 2.687 20 30 BFEDHO CCCCCCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246445895 987805506 /nfs/dbraw/zinc/80/55/06/987805506.db2.gz QNQCLOKUMMWLRB-QWHCGFSZSA-N 1 3 224.392 2.687 20 30 BFEDHO C=CCC[C@H](C)[NH+]1CCC(N(C)CC)CC1 ZINC001258733891 991681866 /nfs/dbraw/zinc/68/18/66/991681866.db2.gz NRBLDPKDRHXOKD-ZDUSSCGKSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351885 398163891 /nfs/dbraw/zinc/16/38/91/398163891.db2.gz KAJJHFOIPPRHHT-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000336686690 346917098 /nfs/dbraw/zinc/91/70/98/346917098.db2.gz FBUNOALRERTZFO-RBSFLKMASA-N 1 3 236.403 2.853 20 30 BFEDHO CC1(C)CC(N[C@H]2CC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885682 136358065 /nfs/dbraw/zinc/35/80/65/136358065.db2.gz MZTXJANNCRHYTN-NEPJUHHUSA-N 1 3 249.402 2.577 20 30 BFEDHO C=CCCC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635019481 345222804 /nfs/dbraw/zinc/22/28/04/345222804.db2.gz HMFGQMLTNHKKSE-PBWFPOADSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)CN(C)C ZINC000381574907 346377583 /nfs/dbraw/zinc/37/75/83/346377583.db2.gz ZJSONCUSNNVOBR-ZIAGYGMSSA-N 1 3 226.408 2.909 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000309715269 347147449 /nfs/dbraw/zinc/14/74/49/347147449.db2.gz SODZJGPMYLGZGC-MELADBBJSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530179252 323205504 /nfs/dbraw/zinc/20/55/04/323205504.db2.gz RDBZIAWLFUXRNW-STQMWFEESA-N 1 3 222.376 2.605 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000352014245 134035673 /nfs/dbraw/zinc/03/56/73/134035673.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000337085314 358505360 /nfs/dbraw/zinc/50/53/60/358505360.db2.gz ZHPMSEZZRKLDIV-CVEARBPZSA-N 1 3 244.382 2.627 20 30 BFEDHO C=CCCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000337085314 358505365 /nfs/dbraw/zinc/50/53/65/358505365.db2.gz ZHPMSEZZRKLDIV-CVEARBPZSA-N 1 3 244.382 2.627 20 30 BFEDHO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422973846 192531509 /nfs/dbraw/zinc/53/15/09/192531509.db2.gz PRBUUCFYNGWDSF-RBSFLKMASA-N 1 3 249.402 2.581 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000126767535 358554421 /nfs/dbraw/zinc/55/44/21/358554421.db2.gz VVMWZLSEULBMBL-ZIAGYGMSSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300258224 491138537 /nfs/dbraw/zinc/13/85/37/491138537.db2.gz TYUDKOLTJFYYHL-CABCVRRESA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300258224 491138538 /nfs/dbraw/zinc/13/85/38/491138538.db2.gz TYUDKOLTJFYYHL-CABCVRRESA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300258224 491138539 /nfs/dbraw/zinc/13/85/39/491138539.db2.gz TYUDKOLTJFYYHL-CABCVRRESA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300258225 491138542 /nfs/dbraw/zinc/13/85/42/491138542.db2.gz TYUDKOLTJFYYHL-GJZGRUSLSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300258225 491138543 /nfs/dbraw/zinc/13/85/43/491138543.db2.gz TYUDKOLTJFYYHL-GJZGRUSLSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300258225 491138544 /nfs/dbraw/zinc/13/85/44/491138544.db2.gz TYUDKOLTJFYYHL-GJZGRUSLSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC1 ZINC000575072306 361275514 /nfs/dbraw/zinc/27/55/14/361275514.db2.gz XIXPVAQVZNPVJN-UONOGXRCSA-N 1 3 236.403 2.982 20 30 BFEDHO C=C(C)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695891 367140700 /nfs/dbraw/zinc/14/07/00/367140700.db2.gz BHQNFUPNAQPDFV-UONOGXRCSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695891 367140704 /nfs/dbraw/zinc/14/07/04/367140704.db2.gz BHQNFUPNAQPDFV-UONOGXRCSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185695891 367140709 /nfs/dbraw/zinc/14/07/09/367140709.db2.gz BHQNFUPNAQPDFV-UONOGXRCSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695935 367141038 /nfs/dbraw/zinc/14/10/38/367141038.db2.gz BHQNFUPNAQPDFV-KGLIPLIRSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695935 367141043 /nfs/dbraw/zinc/14/10/43/367141043.db2.gz BHQNFUPNAQPDFV-KGLIPLIRSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185695935 367141046 /nfs/dbraw/zinc/14/10/46/367141046.db2.gz BHQNFUPNAQPDFV-KGLIPLIRSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546195 384017122 /nfs/dbraw/zinc/01/71/22/384017122.db2.gz KDHMGUFHNFMBPU-IHRRRGAJSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CC1 ZINC000309586021 384569768 /nfs/dbraw/zinc/56/97/68/384569768.db2.gz RUAVXCPXBPZYTF-OCCSQVGLSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000309659068 385778759 /nfs/dbraw/zinc/77/87/59/385778759.db2.gz QURGTGKUKPLXBO-ZIAGYGMSSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000309659068 385778764 /nfs/dbraw/zinc/77/87/64/385778764.db2.gz QURGTGKUKPLXBO-ZIAGYGMSSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423398496 387235134 /nfs/dbraw/zinc/23/51/34/387235134.db2.gz OZHBGDKWBMRPCC-IHRRRGAJSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423398497 387235327 /nfs/dbraw/zinc/23/53/27/387235327.db2.gz OZHBGDKWBMRPCC-MELADBBJSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423398492 387235662 /nfs/dbraw/zinc/23/56/62/387235662.db2.gz OZHBGDKWBMRPCC-HZSPNIEDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)NC[C@@H](C)[NH2+]CC ZINC000423377757 387259306 /nfs/dbraw/zinc/25/93/06/387259306.db2.gz FGXLKAAOXFXCMU-QWHCGFSZSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423386757 387271674 /nfs/dbraw/zinc/27/16/74/387271674.db2.gz RPUZMNCOCKRBHV-RDBSUJKOSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423390924 387276230 /nfs/dbraw/zinc/27/62/30/387276230.db2.gz WMXXIINNCJLNEQ-BFHYXJOUSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]CCCNC(C)C ZINC000643508155 387477204 /nfs/dbraw/zinc/47/72/04/387477204.db2.gz PDKZKKPXKBVJFL-STQMWFEESA-N 1 3 212.381 2.565 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000527733586 387683191 /nfs/dbraw/zinc/68/31/91/387683191.db2.gz DGBFAZJTGLAWNI-KGLIPLIRSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCNCC1 ZINC000643522226 387718783 /nfs/dbraw/zinc/71/87/83/387718783.db2.gz JXUIQNPXBDAKRO-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C[NH+](C)C1(CN[C@@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000442632638 387810757 /nfs/dbraw/zinc/81/07/57/387810757.db2.gz FJUOAHIRKBREKZ-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423012256 387835454 /nfs/dbraw/zinc/83/54/54/387835454.db2.gz CPPYNVCHIZFLSA-RDGKXADDSA-N 1 3 236.403 2.994 20 30 BFEDHO C=CCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423048759 387857698 /nfs/dbraw/zinc/85/76/98/387857698.db2.gz IRWQTZALVZTKCO-GFCCVEGCSA-N 1 3 247.386 2.856 20 30 BFEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424366811 387992385 /nfs/dbraw/zinc/99/23/85/387992385.db2.gz JTAPCZHLFIJFRV-CBBWQLFWSA-N 1 3 249.402 2.579 20 30 BFEDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424366813 387992447 /nfs/dbraw/zinc/99/24/47/387992447.db2.gz JTAPCZHLFIJFRV-ZQDZILKHSA-N 1 3 249.402 2.579 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423216663 387999036 /nfs/dbraw/zinc/99/90/36/387999036.db2.gz SHPXVJOFZCGANP-KBPBESRZSA-N 1 3 224.392 2.711 20 30 BFEDHO N#C[C@@H]1CCC[C@H](N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000423259478 388038837 /nfs/dbraw/zinc/03/88/37/388038837.db2.gz DVTRJRRRQVCUSY-VHDGCEQUSA-N 1 3 249.402 2.566 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]C[C@H](C)CNC ZINC000423277567 388057698 /nfs/dbraw/zinc/05/76/98/388057698.db2.gz PYYUAPXXGQDVSF-OLZOCXBDSA-N 1 3 212.381 2.566 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)CNC ZINC000423277568 388058104 /nfs/dbraw/zinc/05/81/04/388058104.db2.gz PYYUAPXXGQDVSF-QWHCGFSZSA-N 1 3 212.381 2.566 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000449252101 388162294 /nfs/dbraw/zinc/16/22/94/388162294.db2.gz QCIPOSHYMWGAQA-AWEZNQCLSA-N 1 3 236.403 2.973 20 30 BFEDHO C=C(C)CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000352014245 134035670 /nfs/dbraw/zinc/03/56/70/134035670.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=C(C)CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000352014245 134035671 /nfs/dbraw/zinc/03/56/71/134035671.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000352014245 134035672 /nfs/dbraw/zinc/03/56/72/134035672.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232583006 487613437 /nfs/dbraw/zinc/61/34/37/487613437.db2.gz TYUDKOLTJFYYHL-LSDHHAIUSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000232583006 487613443 /nfs/dbraw/zinc/61/34/43/487613443.db2.gz TYUDKOLTJFYYHL-LSDHHAIUSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000232583006 487613446 /nfs/dbraw/zinc/61/34/46/487613446.db2.gz TYUDKOLTJFYYHL-LSDHHAIUSA-N 1 3 236.403 2.949 20 30 BFEDHO C=C(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656198469 411203477 /nfs/dbraw/zinc/20/34/77/411203477.db2.gz WLLOVXFSRXMTLK-LSDHHAIUSA-N 1 3 230.355 2.559 20 30 BFEDHO C=CCN(CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000661760270 411871318 /nfs/dbraw/zinc/87/13/18/411871318.db2.gz OTYBGZKYRJLKRN-CYBMUJFWSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCN(CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000661760270 411871322 /nfs/dbraw/zinc/87/13/22/411871322.db2.gz OTYBGZKYRJLKRN-CYBMUJFWSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280697 412224899 /nfs/dbraw/zinc/22/48/99/412224899.db2.gz JDYWRMAHASLLIC-RWMBFGLXSA-N 1 3 212.381 2.550 20 30 BFEDHO C=CCC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 ZINC000665280927 412226620 /nfs/dbraw/zinc/22/66/20/412226620.db2.gz PKUHHDSEFRQHOL-KGLIPLIRSA-N 1 3 224.392 2.694 20 30 BFEDHO C=CCCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000568533556 326364288 /nfs/dbraw/zinc/36/42/88/326364288.db2.gz TVKQQSAKHGZJRT-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000651680298 491073686 /nfs/dbraw/zinc/07/36/86/491073686.db2.gz FTACHARIYKDZMZ-FXUDXRNXSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261556164 534555609 /nfs/dbraw/zinc/55/56/09/534555609.db2.gz QLWYNVOHAHABPZ-OLZOCXBDSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCCCCC[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000854227421 588780900 /nfs/dbraw/zinc/78/09/00/588780900.db2.gz OIRSSZBBYIJUTE-NFOMZHRRSA-N 1 3 236.403 2.853 20 30 BFEDHO C#CCCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000878511244 583378390 /nfs/dbraw/zinc/37/83/90/583378390.db2.gz BTYIENKHYWTVBJ-OAHLLOKOSA-N 1 3 236.403 2.596 20 30 BFEDHO C#CCCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000878511244 583378393 /nfs/dbraw/zinc/37/83/93/583378393.db2.gz BTYIENKHYWTVBJ-OAHLLOKOSA-N 1 3 236.403 2.596 20 30 BFEDHO C#CCCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511244 583378395 /nfs/dbraw/zinc/37/83/95/583378395.db2.gz BTYIENKHYWTVBJ-OAHLLOKOSA-N 1 3 236.403 2.596 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]CC[C@H](C)N(C)C ZINC000895293634 583639776 /nfs/dbraw/zinc/63/97/76/583639776.db2.gz IJXYGYNQDKLGTN-QWHCGFSZSA-N 1 3 212.381 2.661 20 30 BFEDHO C=CC(C)(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902388310 584579627 /nfs/dbraw/zinc/57/96/27/584579627.db2.gz OTTOMGBUGAIDFA-GFCCVEGCSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902395726 584585302 /nfs/dbraw/zinc/58/53/02/584585302.db2.gz FGDCPNABJBZRRX-ZDUSSCGKSA-N 1 3 238.419 2.957 20 30 BFEDHO C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903716545 584791802 /nfs/dbraw/zinc/79/18/02/584791802.db2.gz OSSLPZTYKPOBQZ-KGLIPLIRSA-N 1 3 249.402 2.520 20 30 BFEDHO C[C@]1(CN)CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747218 584795067 /nfs/dbraw/zinc/79/50/67/584795067.db2.gz PSZWJVILIFBBJS-CQSZACIVSA-N 1 3 249.402 2.521 20 30 BFEDHO C[C@]1(CN)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747218 584795068 /nfs/dbraw/zinc/79/50/68/584795068.db2.gz PSZWJVILIFBBJS-CQSZACIVSA-N 1 3 249.402 2.521 20 30 BFEDHO C[C@]1(C[NH3+])CCN(CCCCC2(C#N)CCC2)C1 ZINC000903747218 584795069 /nfs/dbraw/zinc/79/50/69/584795069.db2.gz PSZWJVILIFBBJS-CQSZACIVSA-N 1 3 249.402 2.521 20 30 BFEDHO C=CCN(CCC[NH+]1CCCCC1)C(C)C ZINC000781883591 585804883 /nfs/dbraw/zinc/80/48/83/585804883.db2.gz AEKQYHGBDBMFQS-UHFFFAOYSA-N 1 3 224.392 2.759 20 30 BFEDHO CCCCCCCCC[NH2+][C@H](C)C1CNC1 ZINC000817897018 586834556 /nfs/dbraw/zinc/83/45/56/586834556.db2.gz BLKCZYOESQUXFC-CYBMUJFWSA-N 1 3 226.408 2.935 20 30 BFEDHO C=CCCCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000817932981 586843033 /nfs/dbraw/zinc/84/30/33/586843033.db2.gz YSVMNHGZNILGOX-OLZOCXBDSA-N 1 3 212.381 2.838 20 30 BFEDHO C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC000817962462 586853003 /nfs/dbraw/zinc/85/30/03/586853003.db2.gz MRXGQULHCOZDPR-CHWSQXEVSA-N 1 3 212.381 2.696 20 30 BFEDHO C=CC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000877970843 590462094 /nfs/dbraw/zinc/46/20/94/590462094.db2.gz CZJBYSKCESDQPY-AWEZNQCLSA-N 1 3 236.403 2.901 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000878149352 590505781 /nfs/dbraw/zinc/50/57/81/590505781.db2.gz WHNVUELNVTWUSW-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000878149352 590505783 /nfs/dbraw/zinc/50/57/83/590505783.db2.gz WHNVUELNVTWUSW-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000878149352 590505786 /nfs/dbraw/zinc/50/57/86/590505786.db2.gz WHNVUELNVTWUSW-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)N1CCC(CC)([NH+](C)C)CC1 ZINC000879286141 590727543 /nfs/dbraw/zinc/72/75/43/590727543.db2.gz LGOCUHSIFYCQLZ-CYBMUJFWSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CC[C@@H](C)[NH+]1CCC(CC)(N(C)C)CC1 ZINC000879286141 590727545 /nfs/dbraw/zinc/72/75/45/590727545.db2.gz LGOCUHSIFYCQLZ-CYBMUJFWSA-N 1 3 224.392 2.757 20 30 BFEDHO CCCCCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000129030814 591208291 /nfs/dbraw/zinc/20/82/91/591208291.db2.gz FWIZURZHNFLWNO-STQMWFEESA-N 1 3 212.381 2.768 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000129030814 591208292 /nfs/dbraw/zinc/20/82/92/591208292.db2.gz FWIZURZHNFLWNO-STQMWFEESA-N 1 3 212.381 2.768 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000129030814 591208293 /nfs/dbraw/zinc/20/82/93/591208293.db2.gz FWIZURZHNFLWNO-STQMWFEESA-N 1 3 212.381 2.768 20 30 BFEDHO CCCCCCCN1CCC[C@H](C[NH2+]C)C1 ZINC000104460053 592613704 /nfs/dbraw/zinc/61/37/04/592613704.db2.gz PCBHUQJIPCXPRG-CQSZACIVSA-N 1 3 226.408 2.888 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C\C[N@@H+]1CC[C@@H]1CC=C ZINC000934460562 631848724 /nfs/dbraw/zinc/84/87/24/631848724.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C\C[N@H+]1CC[C@@H]1CC=C ZINC000934460562 631848729 /nfs/dbraw/zinc/84/87/29/631848729.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CC[N@H+]1C/C=C\CN1CC[C@@H]1CC=C ZINC000934460562 631848734 /nfs/dbraw/zinc/84/87/34/631848734.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CC[N@@H+]1C/C=C\CN1CC[C@@H]1CC=C ZINC000934460562 631848737 /nfs/dbraw/zinc/84/87/37/631848737.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925655813 634218164 /nfs/dbraw/zinc/21/81/64/634218164.db2.gz WPDNQHFZQFOJQJ-HUUCEWRRSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCC[N@@H+](CC)C[C@@]1(C)CCCNC1 ZINC000904471523 637426028 /nfs/dbraw/zinc/42/60/28/637426028.db2.gz IFORXMQKCHBFEW-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCC[N@H+](CC)C[C@@]1(C)CCCNC1 ZINC000904471523 637426031 /nfs/dbraw/zinc/42/60/31/637426031.db2.gz IFORXMQKCHBFEW-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CC[C@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000703702286 712084270 /nfs/dbraw/zinc/08/42/70/712084270.db2.gz WEOMSQWDGRWKLF-LSDHHAIUSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000703702286 712084272 /nfs/dbraw/zinc/08/42/72/712084272.db2.gz WEOMSQWDGRWKLF-LSDHHAIUSA-N 1 3 236.403 2.664 20 30 BFEDHO C=C1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000724486331 710741133 /nfs/dbraw/zinc/74/11/33/710741133.db2.gz NZDROXBLNMFAFC-HUUCEWRRSA-N 1 3 236.403 2.840 20 30 BFEDHO C=CCCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000925635714 960487949 /nfs/dbraw/zinc/48/79/49/960487949.db2.gz OKNMSSQAIDKIGC-CHWSQXEVSA-N 1 3 222.376 2.605 20 30 BFEDHO CCCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001201797628 983476096 /nfs/dbraw/zinc/47/60/96/983476096.db2.gz AGPXJQBBJFBIRS-UHFFFAOYSA-N 1 3 238.419 2.984 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CCN[C@H](C)C3)C[C@H](C1)C2 ZINC001246109055 972171894 /nfs/dbraw/zinc/17/18/94/972171894.db2.gz IQCUBKUHJNFWBZ-WHWZVRATSA-N 1 3 248.414 2.851 20 30 BFEDHO C#CCCC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209265672 957369956 /nfs/dbraw/zinc/36/99/56/957369956.db2.gz CXRWBOMNMMADLW-MRXNPFEDSA-N 1 3 248.414 2.740 20 30 BFEDHO C#CCCC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209265672 957369966 /nfs/dbraw/zinc/36/99/66/957369966.db2.gz CXRWBOMNMMADLW-MRXNPFEDSA-N 1 3 248.414 2.740 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+][C@]3(CC)CCNC3)C[C@H](C1)C2 ZINC001246461245 972333108 /nfs/dbraw/zinc/33/31/08/972333108.db2.gz ODSSFSKAHCAFAV-VFSICIBPSA-N 1 3 248.414 2.853 20 30 BFEDHO C=C(C)CN(CC)C1CC[NH+](CC2CC2)CC1 ZINC001168387608 965114207 /nfs/dbraw/zinc/11/42/07/965114207.db2.gz MJEHLXJEBXMWKJ-UHFFFAOYSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCCCCCC[N@H+]1CCC[C@H](N)C1 ZINC001204877452 967212514 /nfs/dbraw/zinc/21/25/14/967212514.db2.gz JECIZLWIWIAXKD-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO C=CCCCCCCC[N@@H+]1CCC[C@H](N)C1 ZINC001204877452 967212520 /nfs/dbraw/zinc/21/25/20/967212520.db2.gz JECIZLWIWIAXKD-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001172119229 974380789 /nfs/dbraw/zinc/38/07/89/974380789.db2.gz WKIAHKCSHHUYMO-QKDCVEJESA-N 1 3 248.414 2.641 20 30 BFEDHO CCCCN(C)CCC[NH2+][C@H](C)CCCC#N ZINC001172480375 974780250 /nfs/dbraw/zinc/78/02/50/974780250.db2.gz STLHCSOYLQFOBI-CQSZACIVSA-N 1 3 239.407 2.780 20 30 BFEDHO CN1CCC[C@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588395 975435496 /nfs/dbraw/zinc/43/54/96/975435496.db2.gz CKHFKLFCLPNTOJ-SLTAFYQDSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978238 978938865 /nfs/dbraw/zinc/93/88/65/978938865.db2.gz HMRNZUCRSAYEDP-GASCZTMLSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CCNCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC001235445903 979044247 /nfs/dbraw/zinc/04/42/47/979044247.db2.gz VOIRAYDHEUNAJY-MRXNPFEDSA-N 1 3 244.382 2.908 20 30 BFEDHO C=CCNCC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC001235445903 979044252 /nfs/dbraw/zinc/04/42/52/979044252.db2.gz VOIRAYDHEUNAJY-MRXNPFEDSA-N 1 3 244.382 2.908 20 30 BFEDHO C=CCCCCCCN1CCC[C@H]1C[NH3+] ZINC001235724910 979136991 /nfs/dbraw/zinc/13/69/91/979136991.db2.gz LANUVIMGKBBJTN-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCN(C)CC[C@@H]1CCCC[NH2+]1 ZINC001236085572 979374556 /nfs/dbraw/zinc/37/45/56/979374556.db2.gz SGFIKLUGJUQCMJ-AWEZNQCLSA-N 1 3 224.392 2.807 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246539284 987904770 /nfs/dbraw/zinc/90/47/70/987904770.db2.gz GXIVLVSYMHXSKF-FIZKIRAISA-N 1 3 248.414 2.648 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3C[C@H](C)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246539284 987904774 /nfs/dbraw/zinc/90/47/74/987904774.db2.gz GXIVLVSYMHXSKF-FIZKIRAISA-N 1 3 248.414 2.648 20 30 BFEDHO CC1(C#N)CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246580358 988114138 /nfs/dbraw/zinc/11/41/38/988114138.db2.gz FZCLRUFGKGPQIJ-WLYUNCDWSA-N 1 3 249.402 2.520 20 30 BFEDHO CC1(C#N)CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246580358 988114142 /nfs/dbraw/zinc/11/41/42/988114142.db2.gz FZCLRUFGKGPQIJ-WLYUNCDWSA-N 1 3 249.402 2.520 20 30 BFEDHO CC1(C#N)CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246580356 988116075 /nfs/dbraw/zinc/11/60/75/988116075.db2.gz FZCLRUFGKGPQIJ-NFOMZHRRSA-N 1 3 249.402 2.520 20 30 BFEDHO CC1(C#N)CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246580356 988116088 /nfs/dbraw/zinc/11/60/88/988116088.db2.gz FZCLRUFGKGPQIJ-NFOMZHRRSA-N 1 3 249.402 2.520 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4NCC[C@@H]43)C[C@H](C1)C2 ZINC001246666956 988411091 /nfs/dbraw/zinc/41/10/91/988411091.db2.gz SXZIFYJYTXBZJD-FVPDABNVSA-N 1 3 246.398 2.558 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4NCC[C@@H]43)C[C@H](C1)C2 ZINC001246666956 988411103 /nfs/dbraw/zinc/41/11/03/988411103.db2.gz SXZIFYJYTXBZJD-FVPDABNVSA-N 1 3 246.398 2.558 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC2CC2)C1 ZINC001246919537 988733439 /nfs/dbraw/zinc/73/34/39/988733439.db2.gz NGPKTYPCLNTPOA-JSGCOSHPSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC2CC2)C1 ZINC001246919537 988733456 /nfs/dbraw/zinc/73/34/56/988733456.db2.gz NGPKTYPCLNTPOA-JSGCOSHPSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001560623177 991527061 /nfs/dbraw/zinc/52/70/61/991527061.db2.gz QXERVOGKGJECJG-OLMNGRFOSA-N 1 3 248.414 2.661 20 30 BFEDHO C#CC1(NC2CC[NH+](CCC)CC2)CCCCC1 ZINC001258771065 991729712 /nfs/dbraw/zinc/72/97/12/991729712.db2.gz UEVBVEBLGXMCLG-UHFFFAOYSA-N 1 3 248.414 2.787 20 30 BFEDHO CCCCCCCCN(C)C[C@H]1CC[NH2+]C1 ZINC000382756614 993468056 /nfs/dbraw/zinc/46/80/56/993468056.db2.gz QELSGEJGUFFDCG-AWEZNQCLSA-N 1 3 226.408 2.888 20 30 BFEDHO C=C(CC)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000313489396 259335707 /nfs/dbraw/zinc/33/57/07/259335707.db2.gz RUGRIOHXBUSXBU-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO CC1(C)CC(N[C@H]2CC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885686 136357730 /nfs/dbraw/zinc/35/77/30/136357730.db2.gz MZTXJANNCRHYTN-RYUDHWBXSA-N 1 3 249.402 2.577 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635013506 345218588 /nfs/dbraw/zinc/21/85/88/345218588.db2.gz YSAYYQZJOANZHH-MJBXVCDLSA-N 1 3 238.419 2.955 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000309715270 347146766 /nfs/dbraw/zinc/14/67/66/347146766.db2.gz SODZJGPMYLGZGC-MJBXVCDLSA-N 1 3 222.376 2.558 20 30 BFEDHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(C#N)c1 ZINC000596651979 348606377 /nfs/dbraw/zinc/60/63/77/348606377.db2.gz DRNMQGRTGWWXIU-SWLSCSKDSA-N 1 3 245.370 2.582 20 30 BFEDHO C=CCC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000230658230 363317201 /nfs/dbraw/zinc/31/72/01/363317201.db2.gz JGDAMTPRBGCAHI-ZDUSSCGKSA-N 1 3 212.381 2.661 20 30 BFEDHO C=C(C)CN(C)C/C=C\C[N@H+](C)CC(=C)C ZINC000351106050 355948870 /nfs/dbraw/zinc/94/88/70/355948870.db2.gz WYLNPYRVYWANKL-FPLPWBNLSA-N 1 3 222.376 2.558 20 30 BFEDHO C=C(C)CN(C)C/C=C\C[N@@H+](C)CC(=C)C ZINC000351106050 355948874 /nfs/dbraw/zinc/94/88/74/355948874.db2.gz WYLNPYRVYWANKL-FPLPWBNLSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000370676413 134226761 /nfs/dbraw/zinc/22/67/61/134226761.db2.gz KMYHTZJHEHCOTQ-SOUVJXGZSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCC[C@@H]([NH2+]CCCNC(C)C)C1CC1 ZINC000583316351 357898565 /nfs/dbraw/zinc/89/85/65/357898565.db2.gz PMGUVJXXUYVMPZ-CQSZACIVSA-N 1 3 224.392 2.709 20 30 BFEDHO CC(C)(CCC#N)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000135151060 358822180 /nfs/dbraw/zinc/82/21/80/358822180.db2.gz OPNWZQGDZXMODN-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135151060 358822183 /nfs/dbraw/zinc/82/21/83/358822183.db2.gz OPNWZQGDZXMODN-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135151060 358822186 /nfs/dbraw/zinc/82/21/86/358822186.db2.gz OPNWZQGDZXMODN-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H](NCCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706053 367140594 /nfs/dbraw/zinc/14/05/94/367140594.db2.gz QNWNALLZGMATJI-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H](NCCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706053 367140600 /nfs/dbraw/zinc/14/06/00/367140600.db2.gz QNWNALLZGMATJI-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]([NH2+]CCCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185706053 367140602 /nfs/dbraw/zinc/14/06/02/367140602.db2.gz QNWNALLZGMATJI-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO C=C(C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000386677387 368009800 /nfs/dbraw/zinc/00/98/00/368009800.db2.gz HLSBSMSDNUXYAB-ZIAGYGMSSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122207 371323408 /nfs/dbraw/zinc/32/34/08/371323408.db2.gz MERPKMSJODHBGS-KGLIPLIRSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546194 384017134 /nfs/dbraw/zinc/01/71/34/384017134.db2.gz KDHMGUFHNFMBPU-BFHYXJOUSA-N 1 3 236.403 2.851 20 30 BFEDHO C=C(CC)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000313477403 384413564 /nfs/dbraw/zinc/41/35/64/384413564.db2.gz CTVZQHWHJOUAAY-UONOGXRCSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000423385975 384851176 /nfs/dbraw/zinc/85/11/76/384851176.db2.gz LPLVHKOGCNDICH-IHRRRGAJSA-N 1 3 222.376 2.591 20 30 BFEDHO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000423385980 384852061 /nfs/dbraw/zinc/85/20/61/384852061.db2.gz LPLVHKOGCNDICH-RDBSUJKOSA-N 1 3 222.376 2.591 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)CN(C)C ZINC000309045148 385388702 /nfs/dbraw/zinc/38/87/02/385388702.db2.gz NZHFHUNJHYVWLJ-CHWSQXEVSA-N 1 3 212.381 2.519 20 30 BFEDHO C=CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CC1 ZINC000309586022 385712140 /nfs/dbraw/zinc/71/21/40/385712140.db2.gz RUAVXCPXBPZYTF-TZMCWYRMSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423337947 387185200 /nfs/dbraw/zinc/18/52/00/387185200.db2.gz UNUPZAUQXUMOOC-MELADBBJSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423380833 387262028 /nfs/dbraw/zinc/26/20/28/387262028.db2.gz YTQQHSZYCGBHAR-MELADBBJSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CCC[C@@H](CCC)NC[C@@H](C)[NH2+]CC ZINC000423379525 387262570 /nfs/dbraw/zinc/26/25/70/387262570.db2.gz MBHOJBIGOYJBMY-CHWSQXEVSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CCCCC[C@@H](C)NC[C@H]1CCCC[NH2+]1 ZINC000643502579 387365326 /nfs/dbraw/zinc/36/53/26/387365326.db2.gz KNNJBLUEXSJEIC-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCC[C@H](C)NC[C@H]1CCCC[NH2+]1 ZINC000643502578 387365506 /nfs/dbraw/zinc/36/55/06/387365506.db2.gz KNNJBLUEXSJEIC-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCCNCC1 ZINC000643522223 387719960 /nfs/dbraw/zinc/71/99/60/387719960.db2.gz JXUIQNPXBDAKRO-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=C[C@H](C)N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422993664 387803242 /nfs/dbraw/zinc/80/32/42/387803242.db2.gz TVKNAJJULJLJAD-AEGPPILISA-N 1 3 230.355 2.644 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423129810 387907383 /nfs/dbraw/zinc/90/73/83/387907383.db2.gz FPRQIFQZOHXOHP-CHWSQXEVSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423216664 388000348 /nfs/dbraw/zinc/00/03/48/388000348.db2.gz SHPXVJOFZCGANP-KGLIPLIRSA-N 1 3 224.392 2.711 20 30 BFEDHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(C#N)cc1 ZINC000423279832 388689881 /nfs/dbraw/zinc/68/98/81/388689881.db2.gz SPUQQSXJEBXGQH-GJZGRUSLSA-N 1 3 245.370 2.582 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000228825041 388774320 /nfs/dbraw/zinc/77/43/20/388774320.db2.gz CXPMFIJUJOEGIW-ZIAGYGMSSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000554883054 388834605 /nfs/dbraw/zinc/83/46/05/388834605.db2.gz TYLGLPYNFDKUBT-RRFJBIMHSA-N 1 3 238.419 2.907 20 30 BFEDHO C=C(C)CN(C)C/C=C/C[N@H+](C)CC(=C)C ZINC000181251308 533495260 /nfs/dbraw/zinc/49/52/60/533495260.db2.gz WYLNPYRVYWANKL-BQYQJAHWSA-N 1 3 222.376 2.558 20 30 BFEDHO C=C(C)CN(C)C/C=C/C[N@@H+](C)CC(=C)C ZINC000181251308 533495265 /nfs/dbraw/zinc/49/52/65/533495265.db2.gz WYLNPYRVYWANKL-BQYQJAHWSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000304193214 134236916 /nfs/dbraw/zinc/23/69/16/134236916.db2.gz AWDWCPJIJOQTFG-UONOGXRCSA-N 1 3 216.328 2.687 20 30 BFEDHO N#C[C@H]1CCC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000185760897 134394177 /nfs/dbraw/zinc/39/41/77/134394177.db2.gz FHIGLODENUKXLU-GJZGRUSLSA-N 1 3 249.402 2.534 20 30 BFEDHO N#C[C@@H]1CCC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000185760933 134394219 /nfs/dbraw/zinc/39/42/19/134394219.db2.gz FHIGLODENUKXLU-CABCVRRESA-N 1 3 249.402 2.534 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252803950 135110635 /nfs/dbraw/zinc/11/06/35/135110635.db2.gz CJOUAFWDJLAVJZ-MJBXVCDLSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCCCCCN(C)C[C@]1(C)CC[NH2+]C1 ZINC000340702279 135227582 /nfs/dbraw/zinc/22/75/82/135227582.db2.gz YLMMOMIBVPOISE-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232581906 487613725 /nfs/dbraw/zinc/61/37/25/487613725.db2.gz TYUDKOLTJFYYHL-HUUCEWRRSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000232581906 487613733 /nfs/dbraw/zinc/61/37/33/487613733.db2.gz TYUDKOLTJFYYHL-HUUCEWRRSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000232581906 487613740 /nfs/dbraw/zinc/61/37/40/487613740.db2.gz TYUDKOLTJFYYHL-HUUCEWRRSA-N 1 3 236.403 2.949 20 30 BFEDHO CCCCCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000122371042 589584827 /nfs/dbraw/zinc/58/48/27/589584827.db2.gz XJAACNCGRNBKDO-STQMWFEESA-N 1 3 212.381 2.626 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530179250 323205440 /nfs/dbraw/zinc/20/54/40/323205440.db2.gz RDBZIAWLFUXRNW-OLZOCXBDSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000530209406 323209832 /nfs/dbraw/zinc/20/98/32/323209832.db2.gz HGLBGFLRUAKVEK-CHWSQXEVSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219221 323218021 /nfs/dbraw/zinc/21/80/21/323218021.db2.gz KXWUFOXYTNZZKM-UONOGXRCSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CCC[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530219221 323218023 /nfs/dbraw/zinc/21/80/23/323218023.db2.gz KXWUFOXYTNZZKM-UONOGXRCSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902442012 584597744 /nfs/dbraw/zinc/59/77/44/584597744.db2.gz GQEBAZOCKUSORY-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902442010 584597977 /nfs/dbraw/zinc/59/79/77/584597977.db2.gz GQEBAZOCKUSORY-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CNCC1(C)C ZINC000902450519 584606861 /nfs/dbraw/zinc/60/68/61/584606861.db2.gz STHQRLBGBGZLFE-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO CC1([NH3+])CCN(CCCCC2(C#N)CCC2)CC1 ZINC000903745786 584794261 /nfs/dbraw/zinc/79/42/61/584794261.db2.gz RBBSXWXCYVNHPO-UHFFFAOYSA-N 1 3 249.402 2.664 20 30 BFEDHO C[C@@H]([NH3+])[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000903744281 584796496 /nfs/dbraw/zinc/79/64/96/584796496.db2.gz QTYRMZZSZIZMCF-KGLIPLIRSA-N 1 3 249.402 2.520 20 30 BFEDHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCCC1(C#N)CCC1 ZINC000903768835 584797828 /nfs/dbraw/zinc/79/78/28/584797828.db2.gz SBFJATQAXHIVIA-KGLIPLIRSA-N 1 3 249.402 2.662 20 30 BFEDHO C#CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000760814836 585397861 /nfs/dbraw/zinc/39/78/61/585397861.db2.gz HELBUNOFQYGFAE-UHFFFAOYSA-N 1 3 248.414 2.598 20 30 BFEDHO CCCCCCCCC[NH2+][C@@H](C)C1CNC1 ZINC000817897019 586835271 /nfs/dbraw/zinc/83/52/71/586835271.db2.gz BLKCZYOESQUXFC-ZDUSSCGKSA-N 1 3 226.408 2.935 20 30 BFEDHO C#CC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000829811239 587519212 /nfs/dbraw/zinc/51/92/12/587519212.db2.gz ZVZYWAAZNSVKDB-MRXNPFEDSA-N 1 3 248.414 2.598 20 30 BFEDHO CCCCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000863539462 589296755 /nfs/dbraw/zinc/29/67/55/589296755.db2.gz CNHKCWCEWXGZIS-NEPJUHHUSA-N 1 3 200.370 2.672 20 30 BFEDHO CCCCCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000122371042 589584826 /nfs/dbraw/zinc/58/48/26/589584826.db2.gz XJAACNCGRNBKDO-STQMWFEESA-N 1 3 212.381 2.626 20 30 BFEDHO CCCCCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000125501061 590166667 /nfs/dbraw/zinc/16/66/67/590166667.db2.gz JUFAVMQQOAZGDW-OLZOCXBDSA-N 1 3 212.381 2.626 20 30 BFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073819 590278149 /nfs/dbraw/zinc/27/81/49/590278149.db2.gz SPKOTPSUATXAQN-WUCCLRPBSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000878132829 590503638 /nfs/dbraw/zinc/50/36/38/590503638.db2.gz CLGGHGJGWQYDPJ-GJZGRUSLSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000878132829 590503641 /nfs/dbraw/zinc/50/36/41/590503641.db2.gz CLGGHGJGWQYDPJ-GJZGRUSLSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132829 590503643 /nfs/dbraw/zinc/50/36/43/590503643.db2.gz CLGGHGJGWQYDPJ-GJZGRUSLSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259048 590979332 /nfs/dbraw/zinc/97/93/32/590979332.db2.gz LHWLOONZIZRNOS-KBPBESRZSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259048 590979336 /nfs/dbraw/zinc/97/93/36/590979336.db2.gz LHWLOONZIZRNOS-KBPBESRZSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CCCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880260132 590980320 /nfs/dbraw/zinc/98/03/20/590980320.db2.gz BGBCAUMLCPFRBG-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880260132 590980325 /nfs/dbraw/zinc/98/03/25/590980325.db2.gz BGBCAUMLCPFRBG-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(CC)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261867 590980567 /nfs/dbraw/zinc/98/05/67/590980567.db2.gz ZCBYMWSKOKONFM-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(CC)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134942 592449726 /nfs/dbraw/zinc/44/97/26/592449726.db2.gz SUDPUTHOPANYEZ-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000925714276 634427006 /nfs/dbraw/zinc/42/70/06/634427006.db2.gz OZXKZXAEDGKCGQ-RBSFLKMASA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925714276 634427008 /nfs/dbraw/zinc/42/70/08/634427008.db2.gz OZXKZXAEDGKCGQ-RBSFLKMASA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C\C[N@@H+]1CC[C@H]1CC=C ZINC000934460563 631847858 /nfs/dbraw/zinc/84/78/58/631847858.db2.gz QKURHOQXYWTULU-ILNYKDOHSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@@H]1CCN1C/C=C\C[N@H+]1CC[C@H]1CC=C ZINC000934460563 631847860 /nfs/dbraw/zinc/84/78/60/631847860.db2.gz QKURHOQXYWTULU-ILNYKDOHSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925655809 634217809 /nfs/dbraw/zinc/21/78/09/634217809.db2.gz WPDNQHFZQFOJQJ-CABCVRRESA-N 1 3 236.403 2.711 20 30 BFEDHO CCCCCCCCN1CCC([NH3+])CC1 ZINC000059088120 640783146 /nfs/dbraw/zinc/78/31/46/640783146.db2.gz MIVLMKGQIVNGFY-UHFFFAOYSA-N 1 3 212.381 2.770 20 30 BFEDHO C=CC[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228903640 640903508 /nfs/dbraw/zinc/90/35/08/640903508.db2.gz VEKYHXKQYVMJDX-ZLKJLUDKSA-N 1 3 216.328 2.685 20 30 BFEDHO C=CCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926685006 645355498 /nfs/dbraw/zinc/35/54/98/645355498.db2.gz JLVNTIJJOGGNRE-UHFFFAOYSA-N 1 3 224.392 2.663 20 30 BFEDHO CCCCCCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702589705 712055526 /nfs/dbraw/zinc/05/55/26/712055526.db2.gz NMBHUGBRSKFHJX-GASCZTMLSA-N 1 3 238.419 2.888 20 30 BFEDHO C=CC[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000703702284 712084423 /nfs/dbraw/zinc/08/44/23/712084423.db2.gz WEOMSQWDGRWKLF-HUUCEWRRSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000703702284 712084425 /nfs/dbraw/zinc/08/44/25/712084425.db2.gz WEOMSQWDGRWKLF-HUUCEWRRSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CCCC(C)(C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000704037132 712099343 /nfs/dbraw/zinc/09/93/43/712099343.db2.gz BBMFWMFEPUOJMQ-XPABHHOTSA-N 1 3 248.414 2.565 20 30 BFEDHO CCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235167227 978988343 /nfs/dbraw/zinc/98/83/43/978988343.db2.gz YJRZSYHBXLFZGF-UONOGXRCSA-N 1 3 224.392 2.770 20 30 BFEDHO CCCCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235167227 978988348 /nfs/dbraw/zinc/98/83/48/978988348.db2.gz YJRZSYHBXLFZGF-UONOGXRCSA-N 1 3 224.392 2.770 20 30 BFEDHO C#CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001256620708 970888874 /nfs/dbraw/zinc/88/88/74/970888874.db2.gz CQFXQHWRFNJCMB-GOOCMWNKSA-N 1 3 246.398 2.537 20 30 BFEDHO C#CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001256620708 970888875 /nfs/dbraw/zinc/88/88/75/970888875.db2.gz CQFXQHWRFNJCMB-GOOCMWNKSA-N 1 3 246.398 2.537 20 30 BFEDHO CCN(CCC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167826216 961163227 /nfs/dbraw/zinc/16/32/27/961163227.db2.gz PIENNCNCZYYVDG-AWEZNQCLSA-N 1 3 239.407 2.732 20 30 BFEDHO C=CC[NH+](CC=C)C1CCN(CC2CC2)CC1 ZINC001168392809 965128182 /nfs/dbraw/zinc/12/81/82/965128182.db2.gz UOWSIZCPCVADLW-UHFFFAOYSA-N 1 3 234.387 2.535 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCNC[C@@H]2C)CC1 ZINC001206258352 968178773 /nfs/dbraw/zinc/17/87/73/968178773.db2.gz WWYFPMZMHZRWCE-GOEBONIOSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCNC[C@@H]2C)CC1 ZINC001206258352 968178781 /nfs/dbraw/zinc/17/87/81/968178781.db2.gz WWYFPMZMHZRWCE-GOEBONIOSA-N 1 3 248.414 2.973 20 30 BFEDHO C#CCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209269414 969422669 /nfs/dbraw/zinc/42/26/69/969422669.db2.gz JPABPEJHHLYQAG-JKSUJKDBSA-N 1 3 248.414 2.739 20 30 BFEDHO C#CCCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209269414 969422674 /nfs/dbraw/zinc/42/26/74/969422674.db2.gz JPABPEJHHLYQAG-JKSUJKDBSA-N 1 3 248.414 2.739 20 30 BFEDHO C=C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccccc1 ZINC001254513287 969682482 /nfs/dbraw/zinc/68/24/82/969682482.db2.gz CDLHOYHFPDKCME-HZPDHXFCSA-N 1 3 244.382 2.988 20 30 BFEDHO CC[C@@H](CC#N)NCCCCC[NH+]1CCCC1 ZINC001255157357 969965850 /nfs/dbraw/zinc/96/58/50/969965850.db2.gz PIBRFSKFSVPSJJ-AWEZNQCLSA-N 1 3 237.391 2.534 20 30 BFEDHO C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172489299 974834655 /nfs/dbraw/zinc/83/46/55/974834655.db2.gz QAHQWLYXANTIRD-MCIONIFRSA-N 1 3 237.391 2.531 20 30 BFEDHO CN1CCC[C@@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588393 975431380 /nfs/dbraw/zinc/43/13/80/975431380.db2.gz CKHFKLFCLPNTOJ-SHARSMKWSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030936 978955203 /nfs/dbraw/zinc/95/52/03/978955203.db2.gz IYSLMOUOURWYBV-HNNXBMFYSA-N 1 3 236.403 2.808 20 30 BFEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](C[NH3+])C2)CC1 ZINC001235673577 979114814 /nfs/dbraw/zinc/11/48/14/979114814.db2.gz OQRJWJYHIKJETH-JKSUJKDBSA-N 1 3 248.414 2.960 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235981538 979256210 /nfs/dbraw/zinc/25/62/10/979256210.db2.gz WRWYINDDCSWUTP-BZUAXINKSA-N 1 3 246.398 2.712 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235981538 979256222 /nfs/dbraw/zinc/25/62/22/979256222.db2.gz WRWYINDDCSWUTP-BZUAXINKSA-N 1 3 246.398 2.712 20 30 BFEDHO CCCCCCC[C@H](C)NC12CC([NH3+])(C1)C2 ZINC001246499119 987852418 /nfs/dbraw/zinc/85/24/18/987852418.db2.gz BJXQWPATSJANAM-HSBZDZAISA-N 1 3 224.392 2.959 20 30 BFEDHO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246655190 988377884 /nfs/dbraw/zinc/37/78/84/988377884.db2.gz GNCXLGJNFYVVLU-IGQOVBAYSA-N 1 3 224.392 2.624 20 30 BFEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246655190 988377897 /nfs/dbraw/zinc/37/78/97/988377897.db2.gz GNCXLGJNFYVVLU-IGQOVBAYSA-N 1 3 224.392 2.624 20 30 BFEDHO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246655192 988378425 /nfs/dbraw/zinc/37/84/25/988378425.db2.gz GNCXLGJNFYVVLU-MQYQWHSLSA-N 1 3 224.392 2.624 20 30 BFEDHO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246655192 988378435 /nfs/dbraw/zinc/37/84/35/988378435.db2.gz GNCXLGJNFYVVLU-MQYQWHSLSA-N 1 3 224.392 2.624 20 30 BFEDHO CCCCCCC[N@@H+](C)[C@H](C)CCNC ZINC001246774055 988455693 /nfs/dbraw/zinc/45/56/93/988455693.db2.gz FLSLVJNVKIUODT-CYBMUJFWSA-N 1 3 214.397 2.887 20 30 BFEDHO CCCCCCCN(C)[C@H](C)CC[NH2+]C ZINC001246774055 988455702 /nfs/dbraw/zinc/45/57/02/988455702.db2.gz FLSLVJNVKIUODT-CYBMUJFWSA-N 1 3 214.397 2.887 20 30 BFEDHO CCCCCCC[N@H+](C)[C@H](C)CCNC ZINC001246774055 988455687 /nfs/dbraw/zinc/45/56/87/988455687.db2.gz FLSLVJNVKIUODT-CYBMUJFWSA-N 1 3 214.397 2.887 20 30 BFEDHO CCCCCCC[C@@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946685 988777796 /nfs/dbraw/zinc/77/77/96/988777796.db2.gz HHKYJSWSKJDACZ-KBXIAJHMSA-N 1 3 238.419 2.885 20 30 BFEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246948496 988785412 /nfs/dbraw/zinc/78/54/12/988785412.db2.gz KKIPNBNIHMXCCE-DZGCQCFKSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246948496 988785428 /nfs/dbraw/zinc/78/54/28/988785428.db2.gz KKIPNBNIHMXCCE-DZGCQCFKSA-N 1 3 236.403 2.948 20 30 BFEDHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC001308987482 991256347 /nfs/dbraw/zinc/25/63/47/991256347.db2.gz OCKJMMLHNZMPEE-UONOGXRCSA-N 1 3 239.407 2.636 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001560623178 991523156 /nfs/dbraw/zinc/52/31/56/991523156.db2.gz QXERVOGKGJECJG-RBGFHDKUSA-N 1 3 248.414 2.661 20 30 BFEDHO C=CCC[C@H](CCC)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001574901465 992940890 /nfs/dbraw/zinc/94/08/90/992940890.db2.gz IKYRJLXICUQIET-ZNMIVQPWSA-N 1 3 236.403 2.996 20 30 BFEDHO C=C(C[NH2+][C@H]1CCCCC[C@H]1N)c1ccccc1 ZINC000423022025 398161992 /nfs/dbraw/zinc/16/19/92/398161992.db2.gz DLOKXJYIZVTKSQ-CVEARBPZSA-N 1 3 244.382 2.949 20 30 BFEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H](C)N ZINC000423174197 398164417 /nfs/dbraw/zinc/16/44/17/398164417.db2.gz BOUPROKBKWOKHK-SQWLQELKSA-N 1 3 246.398 2.889 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000527733590 262877975 /nfs/dbraw/zinc/87/79/75/262877975.db2.gz DGBFAZJTGLAWNI-ZIAGYGMSSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(C)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730375 136250355 /nfs/dbraw/zinc/25/03/55/136250355.db2.gz NOSFRQACSVCQJP-GDBMZVCRSA-N 1 3 248.414 2.901 20 30 BFEDHO C=C(C)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000351730375 136250356 /nfs/dbraw/zinc/25/03/56/136250356.db2.gz NOSFRQACSVCQJP-GDBMZVCRSA-N 1 3 248.414 2.901 20 30 BFEDHO C=C(C)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730379 136250369 /nfs/dbraw/zinc/25/03/69/136250369.db2.gz NOSFRQACSVCQJP-HOCLYGCPSA-N 1 3 248.414 2.901 20 30 BFEDHO C=C(C)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000351730379 136250370 /nfs/dbraw/zinc/25/03/70/136250370.db2.gz NOSFRQACSVCQJP-HOCLYGCPSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000336686689 346917054 /nfs/dbraw/zinc/91/70/54/346917054.db2.gz FBUNOALRERTZFO-QLFBSQMISA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000635020152 345223603 /nfs/dbraw/zinc/22/36/03/345223603.db2.gz KLSPAKJNRUGMDI-QWHCGFSZSA-N 1 3 224.392 2.696 20 30 BFEDHO C[C@H](CCCC[NH3+])NCC1(C#N)CCCCC1 ZINC000596652354 348606970 /nfs/dbraw/zinc/60/69/70/348606970.db2.gz PUIKPTHXDVJJAT-CYBMUJFWSA-N 1 3 237.391 2.568 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000530209408 323209716 /nfs/dbraw/zinc/20/97/16/323209716.db2.gz HGLBGFLRUAKVEK-QWHCGFSZSA-N 1 3 224.392 2.696 20 30 BFEDHO CC(C)(C)N1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000430746765 490378766 /nfs/dbraw/zinc/37/87/66/490378766.db2.gz JFDOYHBLPKJBCR-UHFFFAOYSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN)C1 ZINC000337085315 350554574 /nfs/dbraw/zinc/55/45/74/350554574.db2.gz ZHPMSEZZRKLDIV-HOTGVXAUSA-N 1 3 244.382 2.627 20 30 BFEDHO C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN)C1 ZINC000337085315 350554578 /nfs/dbraw/zinc/55/45/78/350554578.db2.gz ZHPMSEZZRKLDIV-HOTGVXAUSA-N 1 3 244.382 2.627 20 30 BFEDHO C=C(CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000129948117 353328062 /nfs/dbraw/zinc/32/80/62/353328062.db2.gz VTXXMLMFTNOLTM-HOCLYGCPSA-N 1 3 244.382 2.630 20 30 BFEDHO C=C(CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000129948117 353328065 /nfs/dbraw/zinc/32/80/65/353328065.db2.gz VTXXMLMFTNOLTM-HOCLYGCPSA-N 1 3 244.382 2.630 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000352044448 134046362 /nfs/dbraw/zinc/04/63/62/134046362.db2.gz HQKDYKDBTKWANP-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000352044448 134046363 /nfs/dbraw/zinc/04/63/63/134046363.db2.gz HQKDYKDBTKWANP-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=C(C)CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000352044448 134046364 /nfs/dbraw/zinc/04/63/64/134046364.db2.gz HQKDYKDBTKWANP-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CC[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169129914 134249308 /nfs/dbraw/zinc/24/93/08/134249308.db2.gz VEKYHXKQYVMJDX-BPNCWPANSA-N 1 3 216.328 2.685 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075836432 359226405 /nfs/dbraw/zinc/22/64/05/359226405.db2.gz TUVCCBXAKDSWFA-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075836432 359226408 /nfs/dbraw/zinc/22/64/08/359226408.db2.gz TUVCCBXAKDSWFA-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836432 359226413 /nfs/dbraw/zinc/22/64/13/359226413.db2.gz TUVCCBXAKDSWFA-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629515338 361112247 /nfs/dbraw/zinc/11/22/47/361112247.db2.gz OSCIVJZUFZIMBK-ZIAGYGMSSA-N 1 3 236.403 2.996 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[C@H](C#N)C1 ZINC000442791012 192990995 /nfs/dbraw/zinc/99/09/95/192990995.db2.gz KDUQARAPTHQNHT-LJISPDSOSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[C@H](C#N)C1 ZINC000442791012 192990997 /nfs/dbraw/zinc/99/09/97/192990997.db2.gz KDUQARAPTHQNHT-LJISPDSOSA-N 1 3 249.402 2.531 20 30 BFEDHO CC[C@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1CC ZINC000574658151 365117084 /nfs/dbraw/zinc/11/70/84/365117084.db2.gz XENJFBOYOUTZSX-HOTGVXAUSA-N 1 3 248.414 2.739 20 30 BFEDHO CC[C@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1CC ZINC000574658151 365117092 /nfs/dbraw/zinc/11/70/92/365117092.db2.gz XENJFBOYOUTZSX-HOTGVXAUSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172626017 365356203 /nfs/dbraw/zinc/35/62/03/365356203.db2.gz YUVXZPNHGDCLAW-CQSZACIVSA-N 1 3 222.376 2.513 20 30 BFEDHO C[C@H](NCCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705994 367140825 /nfs/dbraw/zinc/14/08/25/367140825.db2.gz QNWNALLZGMATJI-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H](NCCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705994 367140830 /nfs/dbraw/zinc/14/08/30/367140830.db2.gz QNWNALLZGMATJI-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H]([NH2+]CCCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185705994 367140834 /nfs/dbraw/zinc/14/08/34/367140834.db2.gz QNWNALLZGMATJI-UONOGXRCSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000580843698 367187194 /nfs/dbraw/zinc/18/71/94/367187194.db2.gz GPFFHMDAMUTSCS-ZIAGYGMSSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000581736725 367799860 /nfs/dbraw/zinc/79/98/60/367799860.db2.gz GKVFPCZOIJYXQZ-ZIAGYGMSSA-N 1 3 224.392 2.840 20 30 BFEDHO C=C(C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000386677382 368010203 /nfs/dbraw/zinc/01/02/03/368010203.db2.gz HLSBSMSDNUXYAB-KBPBESRZSA-N 1 3 216.328 2.687 20 30 BFEDHO C=C(C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000386800727 368023009 /nfs/dbraw/zinc/02/30/09/368023009.db2.gz PZVQVDNUDNTGJC-UHFFFAOYSA-N 1 3 245.370 2.606 20 30 BFEDHO CC(C)(C)N1CCC([NH2+]CCCCC#N)CC1 ZINC000178647598 134312614 /nfs/dbraw/zinc/31/26/14/134312614.db2.gz FLXXONGDOBYHJI-UHFFFAOYSA-N 1 3 237.391 2.533 20 30 BFEDHO CC1(C)CCCN1CC#CC[N@@H+]1CCCC1(C)C ZINC000560159476 383948996 /nfs/dbraw/zinc/94/89/96/383948996.db2.gz PDFASOWQIITRLB-UHFFFAOYSA-N 1 3 248.414 2.739 20 30 BFEDHO CC1(C)CCCN1CC#CC[N@H+]1CCCC1(C)C ZINC000560159476 383949001 /nfs/dbraw/zinc/94/90/01/383949001.db2.gz PDFASOWQIITRLB-UHFFFAOYSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545752 384014117 /nfs/dbraw/zinc/01/41/17/384014117.db2.gz BNQZNYNABMSECI-UONOGXRCSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547854 384038056 /nfs/dbraw/zinc/03/80/56/384038056.db2.gz JTHHNQRRLGGHIS-LSDHHAIUSA-N 1 3 248.414 2.996 20 30 BFEDHO N#C[C@H]1CCC[C@@H]([NH2+]CC2(N)CCCCCC2)C1 ZINC000335059665 385960650 /nfs/dbraw/zinc/96/06/50/385960650.db2.gz MLWIYRZDLXWJDK-UONOGXRCSA-N 1 3 249.402 2.710 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]C[C@]1(C)CCCNC1 ZINC000423334639 387181974 /nfs/dbraw/zinc/18/19/74/387181974.db2.gz QXCKRICUTFSXRU-ZIAGYGMSSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCN(CCC[NH3+])Cc1ccccc1 ZINC000230022835 387228477 /nfs/dbraw/zinc/22/84/77/387228477.db2.gz LGQZGPARFZOSQW-UHFFFAOYSA-N 1 3 232.371 2.804 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423408955 387244966 /nfs/dbraw/zinc/24/49/66/387244966.db2.gz YFQFKMMBOAWIFO-IHRRRGAJSA-N 1 3 224.392 2.709 20 30 BFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[C@H](C#N)C1 ZINC000442653607 387814007 /nfs/dbraw/zinc/81/40/07/387814007.db2.gz RBEJXAKPHHHHOY-QLFBSQMISA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[C@H](C#N)C1 ZINC000442653607 387814008 /nfs/dbraw/zinc/81/40/08/387814008.db2.gz RBEJXAKPHHHHOY-QLFBSQMISA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442653607 387814014 /nfs/dbraw/zinc/81/40/14/387814014.db2.gz RBEJXAKPHHHHOY-QLFBSQMISA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC1(C[NH2+][C@H]2CCCNCC2)CCCC1 ZINC000423164917 387948620 /nfs/dbraw/zinc/94/86/20/387948620.db2.gz UAEWZMPXAQIUOQ-AWEZNQCLSA-N 1 3 236.403 2.855 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCNC1 ZINC000423205269 387991966 /nfs/dbraw/zinc/99/19/66/387991966.db2.gz FCCHYIOHRFYDMC-ZIAGYGMSSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000453227038 388015921 /nfs/dbraw/zinc/01/59/21/388015921.db2.gz CEQCOLJTVBFTEX-ZIAGYGMSSA-N 1 3 226.408 2.909 20 30 BFEDHO C=C[C@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000489474344 388216875 /nfs/dbraw/zinc/21/68/75/388216875.db2.gz KEWJTRGCZCBSCW-HNNXBMFYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=C[C@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000489474344 388216876 /nfs/dbraw/zinc/21/68/76/388216876.db2.gz KEWJTRGCZCBSCW-HNNXBMFYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275655130 388344930 /nfs/dbraw/zinc/34/49/30/388344930.db2.gz FDTDOEVKIQJISQ-HOCLYGCPSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275655130 388344931 /nfs/dbraw/zinc/34/49/31/388344931.db2.gz FDTDOEVKIQJISQ-HOCLYGCPSA-N 1 3 244.382 2.815 20 30 BFEDHO C=C(C)CCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000352014246 134036285 /nfs/dbraw/zinc/03/62/85/134036285.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=C(C)CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000352014246 134036286 /nfs/dbraw/zinc/03/62/86/134036286.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000352014246 134036287 /nfs/dbraw/zinc/03/62/87/134036287.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000352014246 134036288 /nfs/dbraw/zinc/03/62/88/134036288.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000368446473 134218384 /nfs/dbraw/zinc/21/83/84/134218384.db2.gz XHZHXPAMZWMQMP-PMPSAXMXSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CCC[C@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414923831 398100182 /nfs/dbraw/zinc/10/01/82/398100182.db2.gz GDVODNOREOSHKR-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000665230286 410724521 /nfs/dbraw/zinc/72/45/21/410724521.db2.gz MDGQRPVDSXHPEC-BARDWOONSA-N 1 3 236.403 2.981 20 30 BFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000657939224 411174012 /nfs/dbraw/zinc/17/40/12/411174012.db2.gz WAWFMMAROZGQSG-HOTGVXAUSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(CC)CC ZINC000662091504 411984723 /nfs/dbraw/zinc/98/47/23/411984723.db2.gz ZDFKDNYSWAWQKK-GASCZTMLSA-N 1 3 236.403 2.901 20 30 BFEDHO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(CC)CC ZINC000662091504 411984726 /nfs/dbraw/zinc/98/47/26/411984726.db2.gz ZDFKDNYSWAWQKK-GASCZTMLSA-N 1 3 236.403 2.901 20 30 BFEDHO C=C1C[C@H]2CC[C@@H](C1)N2CCC[NH+](CC)CC ZINC000662091504 411984730 /nfs/dbraw/zinc/98/47/30/411984730.db2.gz ZDFKDNYSWAWQKK-GASCZTMLSA-N 1 3 236.403 2.901 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000665230684 412168327 /nfs/dbraw/zinc/16/83/27/412168327.db2.gz UDJAEUVABUCVOA-KBUPBQIOSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000665230684 412168329 /nfs/dbraw/zinc/16/83/29/412168329.db2.gz UDJAEUVABUCVOA-KBUPBQIOSA-N 1 3 236.403 2.851 20 30 BFEDHO CC#CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482168224 526337183 /nfs/dbraw/zinc/33/71/83/526337183.db2.gz XPGAVCVERPTHEG-UHFFFAOYSA-N 1 3 248.414 2.787 20 30 BFEDHO CC#CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000482168224 526337187 /nfs/dbraw/zinc/33/71/87/526337187.db2.gz XPGAVCVERPTHEG-UHFFFAOYSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CC[N@@H+](CC1CCN(C)CC1)C1CCCCC1 ZINC000891824571 582726845 /nfs/dbraw/zinc/72/68/45/582726845.db2.gz QBISEJSVXUOEPA-UHFFFAOYSA-N 1 3 248.414 2.596 20 30 BFEDHO C#CC[N@H+](CC1CCN(C)CC1)C1CCCCC1 ZINC000891824571 582726847 /nfs/dbraw/zinc/72/68/47/582726847.db2.gz QBISEJSVXUOEPA-UHFFFAOYSA-N 1 3 248.414 2.596 20 30 BFEDHO C=CC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000877970845 583355312 /nfs/dbraw/zinc/35/53/12/583355312.db2.gz CZJBYSKCESDQPY-CQSZACIVSA-N 1 3 236.403 2.901 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@@H]1CNCC1(C)C ZINC000902450516 584606754 /nfs/dbraw/zinc/60/67/54/584606754.db2.gz STHQRLBGBGZLFE-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccco1 ZINC000902486570 584626216 /nfs/dbraw/zinc/62/62/16/584626216.db2.gz QUOXLPPRDDNRDY-JHJVBQTASA-N 1 3 234.343 2.614 20 30 BFEDHO C=CCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903160014 584731174 /nfs/dbraw/zinc/73/11/74/584731174.db2.gz SZDGDAQDXYDRKG-LQDVMPOASA-N 1 3 234.387 2.700 20 30 BFEDHO C=CCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903160014 584731175 /nfs/dbraw/zinc/73/11/75/584731175.db2.gz SZDGDAQDXYDRKG-LQDVMPOASA-N 1 3 234.387 2.700 20 30 BFEDHO C=CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903160014 584731176 /nfs/dbraw/zinc/73/11/76/584731176.db2.gz SZDGDAQDXYDRKG-LQDVMPOASA-N 1 3 234.387 2.700 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000873279824 590017852 /nfs/dbraw/zinc/01/78/52/590017852.db2.gz MELYSMDPQXJCGA-QWHCGFSZSA-N 1 3 224.392 2.838 20 30 BFEDHO CC[C@@H](NCCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000925736819 634588596 /nfs/dbraw/zinc/58/85/96/634588596.db2.gz CMHWXKNZTUDGLR-CQSZACIVSA-N 1 3 245.370 2.726 20 30 BFEDHO CC[NH+](CC)[C@@H](C)CN[C@@H](C)CC(C)(C)C#N ZINC000924617121 646079542 /nfs/dbraw/zinc/07/95/42/646079542.db2.gz IXGMVUQJCPTPOR-STQMWFEESA-N 1 3 239.407 2.635 20 30 BFEDHO C=C(CC)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693834 646419472 /nfs/dbraw/zinc/41/94/72/646419472.db2.gz SGNZXBDTYGZSKN-CABCVRRESA-N 1 3 236.403 2.711 20 30 BFEDHO C=C(CC)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925693834 646419478 /nfs/dbraw/zinc/41/94/78/646419478.db2.gz SGNZXBDTYGZSKN-CABCVRRESA-N 1 3 236.403 2.711 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)[C@@H](N)C2)CC1 ZINC001236094136 979382892 /nfs/dbraw/zinc/38/28/92/979382892.db2.gz PBAXDDNZBADYAB-YUELXQCFSA-N 1 3 234.387 2.568 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)CC1 ZINC001236094136 979382897 /nfs/dbraw/zinc/38/28/97/979382897.db2.gz PBAXDDNZBADYAB-YUELXQCFSA-N 1 3 234.387 2.568 20 30 BFEDHO CCCCCCC[C@H](CC)[NH2+]CC1CNC1 ZINC001246090324 972142328 /nfs/dbraw/zinc/14/23/28/972142328.db2.gz DUYBIUAQBVVLLY-AWEZNQCLSA-N 1 3 226.408 2.935 20 30 BFEDHO C=CCCCCC[N@H+]1CCCC[C@H](CN)C1 ZINC000309320417 959840373 /nfs/dbraw/zinc/84/03/73/959840373.db2.gz GSUCLERINPOZCP-CQSZACIVSA-N 1 3 224.392 2.794 20 30 BFEDHO C=CCCCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC000309320417 959840376 /nfs/dbraw/zinc/84/03/76/959840376.db2.gz GSUCLERINPOZCP-CQSZACIVSA-N 1 3 224.392 2.794 20 30 BFEDHO CN1CCC[C@@H]([N@H+](CCC#N)C2CCCC2)CC1 ZINC001254523979 969708824 /nfs/dbraw/zinc/70/88/24/969708824.db2.gz TUMOFEXTDSDIHR-OAHLLOKOSA-N 1 3 249.402 2.629 20 30 BFEDHO CN1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001254523979 969708831 /nfs/dbraw/zinc/70/88/31/969708831.db2.gz TUMOFEXTDSDIHR-OAHLLOKOSA-N 1 3 249.402 2.629 20 30 BFEDHO C=CCN(CC=C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235840303 979167294 /nfs/dbraw/zinc/16/72/94/979167294.db2.gz IQWNQCFYQBNYLD-UHFFFAOYSA-N 1 3 242.366 2.506 20 30 BFEDHO C=CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693734865 987314923 /nfs/dbraw/zinc/31/49/23/987314923.db2.gz DHBLXLKGDZUEOL-FRRDWIJNSA-N 1 3 236.403 2.565 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246149017 987507658 /nfs/dbraw/zinc/50/76/58/987507658.db2.gz PNSSPXWHMJIRSG-BYNSBNAKSA-N 1 3 238.419 2.933 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@H]1C[C@H](N)C1 ZINC001246189030 987570295 /nfs/dbraw/zinc/57/02/95/987570295.db2.gz LOVTXFZFLPXDLH-AVGNSLFASA-N 1 3 212.381 2.815 20 30 BFEDHO C=C1C[C@@H]2CC(NC[C@@]3(C)CCC[NH2+]3)C[C@H](C1)C2 ZINC001246454177 987809404 /nfs/dbraw/zinc/80/94/04/987809404.db2.gz ACRIFTLHUWUSDK-VFSICIBPSA-N 1 3 248.414 2.853 20 30 BFEDHO CCCCCCC[N@H+](C)[C@@H](C)CCNC ZINC001246774056 988457104 /nfs/dbraw/zinc/45/71/04/988457104.db2.gz FLSLVJNVKIUODT-ZDUSSCGKSA-N 1 3 214.397 2.887 20 30 BFEDHO CCCCCCC[N@@H+](C)[C@@H](C)CCNC ZINC001246774056 988457109 /nfs/dbraw/zinc/45/71/09/988457109.db2.gz FLSLVJNVKIUODT-ZDUSSCGKSA-N 1 3 214.397 2.887 20 30 BFEDHO CCCCCCCN(C)[C@@H](C)CC[NH2+]C ZINC001246774056 988457117 /nfs/dbraw/zinc/45/71/17/988457117.db2.gz FLSLVJNVKIUODT-ZDUSSCGKSA-N 1 3 214.397 2.887 20 30 BFEDHO CCN(CC)CC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC001308987481 991257013 /nfs/dbraw/zinc/25/70/13/991257013.db2.gz OCKJMMLHNZMPEE-KGLIPLIRSA-N 1 3 239.407 2.636 20 30 BFEDHO C=CCC[C@H](C)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001258728899 991671658 /nfs/dbraw/zinc/67/16/58/991671658.db2.gz RHRGWXCPYFBFHK-AWEZNQCLSA-N 1 3 248.414 2.759 20 30 BFEDHO C#CCCCCCC[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001474734672 991785109 /nfs/dbraw/zinc/78/51/09/991785109.db2.gz CDQKDDAWYSQKJB-MRXNPFEDSA-N 1 3 248.414 2.502 20 30 BFEDHO C#CCCCCCC[NH2+]C[C@H]1CN2CCC1CC2 ZINC001474734671 991785854 /nfs/dbraw/zinc/78/58/54/991785854.db2.gz CDQKDDAWYSQKJB-INIZCTEOSA-N 1 3 248.414 2.502 20 30 BFEDHO CCCCCCCCCN(C)CC1C[NH2+]C1 ZINC001577429972 993665567 /nfs/dbraw/zinc/66/55/67/993665567.db2.gz FOHVLHVLNIRSMD-UHFFFAOYSA-N 1 3 226.408 2.888 20 30 BFEDHO C=C(C[NH2+][C@@H]1CCCCC[C@@H]1N)c1ccccc1 ZINC000423022028 398162056 /nfs/dbraw/zinc/16/20/56/398162056.db2.gz DLOKXJYIZVTKSQ-JKSUJKDBSA-N 1 3 244.382 2.949 20 30 BFEDHO C=CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351598736 136247356 /nfs/dbraw/zinc/24/73/56/136247356.db2.gz VEGMSIKTQGVQMP-OAHLLOKOSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351598736 136247357 /nfs/dbraw/zinc/24/73/57/136247357.db2.gz VEGMSIKTQGVQMP-OAHLLOKOSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298124350 343237178 /nfs/dbraw/zinc/23/71/78/343237178.db2.gz PMQOYIXTLURYBN-UHFFFAOYSA-N 1 3 245.370 2.606 20 30 BFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733233 344113070 /nfs/dbraw/zinc/11/30/70/344113070.db2.gz ANDZBFZPDMYVLO-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733236 344113294 /nfs/dbraw/zinc/11/32/94/344113294.db2.gz ANDZBFZPDMYVLO-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]CCCN(CC)CC ZINC000126697001 344182628 /nfs/dbraw/zinc/18/26/28/344182628.db2.gz BPQGTXBEMUECKQ-CYBMUJFWSA-N 1 3 212.381 2.663 20 30 BFEDHO CC(C)(CCC#N)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000253193357 535006261 /nfs/dbraw/zinc/00/62/61/535006261.db2.gz OPNWZQGDZXMODN-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253193357 535006267 /nfs/dbraw/zinc/00/62/67/535006267.db2.gz OPNWZQGDZXMODN-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253193357 535006271 /nfs/dbraw/zinc/00/62/71/535006271.db2.gz OPNWZQGDZXMODN-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000336686960 350953365 /nfs/dbraw/zinc/95/33/65/350953365.db2.gz UUZAXLZFDPCIGH-UHFFFAOYSA-N 1 3 224.392 2.805 20 30 BFEDHO C=CCSCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000231932915 353674003 /nfs/dbraw/zinc/67/40/03/353674003.db2.gz OYAGGCNVIXOVBE-ZIAGYGMSSA-N 1 3 248.395 2.640 20 30 BFEDHO C=CCSCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000231932918 353674212 /nfs/dbraw/zinc/67/42/12/353674212.db2.gz OYAGGCNVIXOVBE-KGLIPLIRSA-N 1 3 248.395 2.640 20 30 BFEDHO C=CCCC[NH+]1CCC(N2CCCCC2)CC1 ZINC000344606935 354324962 /nfs/dbraw/zinc/32/49/62/354324962.db2.gz VKZDNXIUKDIWGK-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO CC(C)(C)[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335249052 355167218 /nfs/dbraw/zinc/16/72/18/355167218.db2.gz NACSDDHCMAZRNJ-GXTWGEPZSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049553074 356480149 /nfs/dbraw/zinc/48/01/49/356480149.db2.gz WVQUSUGVCCCARG-OLZOCXBDSA-N 1 3 245.370 2.549 20 30 BFEDHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049553076 356480248 /nfs/dbraw/zinc/48/02/48/356480248.db2.gz WVQUSUGVCCCARG-CHWSQXEVSA-N 1 3 245.370 2.549 20 30 BFEDHO C=C(CC)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639701801 356607505 /nfs/dbraw/zinc/60/75/05/356607505.db2.gz BIWQRPAOESMQFW-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO C=C(CC)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639701801 356607504 /nfs/dbraw/zinc/60/75/04/356607504.db2.gz BIWQRPAOESMQFW-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO C=C(C)CC[NH+]1CCC(CC)(N(C)C)CC1 ZINC000640015418 358068279 /nfs/dbraw/zinc/06/82/79/358068279.db2.gz HOSBDSFBLBQHLJ-UHFFFAOYSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCC[C@@H](CCC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000629384986 361032881 /nfs/dbraw/zinc/03/28/81/361032881.db2.gz KSMULTHXVSTNMI-ZIAGYGMSSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCNC12CCC2 ZINC000629384986 361032883 /nfs/dbraw/zinc/03/28/83/361032883.db2.gz KSMULTHXVSTNMI-ZIAGYGMSSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN[C@H]1CC ZINC000629390515 361036981 /nfs/dbraw/zinc/03/69/81/361036981.db2.gz REUNIDLHDCDZHF-MELADBBJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC(C)(C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000629510412 361108679 /nfs/dbraw/zinc/10/86/79/361108679.db2.gz SYTQFNICKROVPN-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000629510414 361108891 /nfs/dbraw/zinc/10/88/91/361108891.db2.gz SYTQFNICKROVPN-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629515334 361112998 /nfs/dbraw/zinc/11/29/98/361112998.db2.gz OSCIVJZUFZIMBK-KBPBESRZSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCCCC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539481 361406523 /nfs/dbraw/zinc/40/65/23/361406523.db2.gz MIIHJNYXKOMIHL-RDBSUJKOSA-N 1 3 224.392 2.851 20 30 BFEDHO C=C(CC)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000313477405 384413557 /nfs/dbraw/zinc/41/35/57/384413557.db2.gz CTVZQHWHJOUAAY-ZIAGYGMSSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000423385977 384851931 /nfs/dbraw/zinc/85/19/31/384851931.db2.gz LPLVHKOGCNDICH-MCIONIFRSA-N 1 3 222.376 2.591 20 30 BFEDHO C=CCN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000309659067 385779055 /nfs/dbraw/zinc/77/90/55/385779055.db2.gz QURGTGKUKPLXBO-UONOGXRCSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000309659067 385779060 /nfs/dbraw/zinc/77/90/60/385779060.db2.gz QURGTGKUKPLXBO-UONOGXRCSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000162617059 387130439 /nfs/dbraw/zinc/13/04/39/387130439.db2.gz DSVLISSXYXHNSB-LJISPDSOSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]C[C@]1(C)CCCNC1 ZINC000423334638 387181843 /nfs/dbraw/zinc/18/18/43/387181843.db2.gz QXCKRICUTFSXRU-UONOGXRCSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423380832 387263212 /nfs/dbraw/zinc/26/32/12/387263212.db2.gz YTQQHSZYCGBHAR-IHRRRGAJSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423395153 387281064 /nfs/dbraw/zinc/28/10/64/387281064.db2.gz RSXKUEYSUSCDSV-STQMWFEESA-N 1 3 244.382 2.980 20 30 BFEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423395149 387282049 /nfs/dbraw/zinc/28/20/49/387282049.db2.gz RSXKUEYSUSCDSV-OLZOCXBDSA-N 1 3 244.382 2.980 20 30 BFEDHO C=CCCCC[C@H](C)N[C@H]1CCCC[NH2+]C1 ZINC000423557649 387375853 /nfs/dbraw/zinc/37/58/53/387375853.db2.gz NLDNGZFCTHTWJD-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C[NH+](C)C1(CN[C@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000442632637 387809620 /nfs/dbraw/zinc/80/96/20/387809620.db2.gz FJUOAHIRKBREKZ-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO C=C(CN[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000423027166 387843584 /nfs/dbraw/zinc/84/35/84/387843584.db2.gz OMCAIPVQYRELLD-HZPDHXFCSA-N 1 3 244.382 2.807 20 30 BFEDHO C=C(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000423027166 387843586 /nfs/dbraw/zinc/84/35/86/387843586.db2.gz OMCAIPVQYRELLD-HZPDHXFCSA-N 1 3 244.382 2.807 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423096141 387884777 /nfs/dbraw/zinc/88/47/77/387884777.db2.gz GYZAMJXCYPIQNZ-AAEUAGOBSA-N 1 3 247.386 2.854 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCNC1 ZINC000423205268 387992099 /nfs/dbraw/zinc/99/20/99/387992099.db2.gz FCCHYIOHRFYDMC-UONOGXRCSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423208642 387992555 /nfs/dbraw/zinc/99/25/55/387992555.db2.gz DJDSGABHVNWAIV-XUXIUFHCSA-N 1 3 224.392 2.565 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)CNC ZINC000423277566 388058214 /nfs/dbraw/zinc/05/82/14/388058214.db2.gz PYYUAPXXGQDVSF-CHWSQXEVSA-N 1 3 212.381 2.566 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000554883055 388834885 /nfs/dbraw/zinc/83/48/85/388834885.db2.gz TYLGLPYNFDKUBT-SOUVJXGZSA-N 1 3 238.419 2.907 20 30 BFEDHO C=CCC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000368446471 134218260 /nfs/dbraw/zinc/21/82/60/134218260.db2.gz XHZHXPAMZWMQMP-JYJNAYRXSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576408 134267833 /nfs/dbraw/zinc/26/78/33/134267833.db2.gz UJWGRGUGLADUIP-HNNXBMFYSA-N 1 3 236.403 2.903 20 30 BFEDHO C[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C ZINC000263595617 135360841 /nfs/dbraw/zinc/36/08/41/135360841.db2.gz DTWOOFHEPRSPPW-HZPDHXFCSA-N 1 3 248.414 2.739 20 30 BFEDHO C[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C ZINC000263595617 135360843 /nfs/dbraw/zinc/36/08/43/135360843.db2.gz DTWOOFHEPRSPPW-HZPDHXFCSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562086 166263905 /nfs/dbraw/zinc/26/39/05/166263905.db2.gz ARZLVZZTTCPESX-HIFRSBDPSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338562086 166263906 /nfs/dbraw/zinc/26/39/06/166263906.db2.gz ARZLVZZTTCPESX-HIFRSBDPSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562088 166264531 /nfs/dbraw/zinc/26/45/31/166264531.db2.gz ARZLVZZTTCPESX-ZFWWWQNUSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338562088 166264533 /nfs/dbraw/zinc/26/45/33/166264533.db2.gz ARZLVZZTTCPESX-ZFWWWQNUSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000657939225 411174520 /nfs/dbraw/zinc/17/45/20/411174520.db2.gz WAWFMMAROZGQSG-HZPDHXFCSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656198466 411203361 /nfs/dbraw/zinc/20/33/61/411203361.db2.gz WLLOVXFSRXMTLK-CABCVRRESA-N 1 3 230.355 2.559 20 30 BFEDHO C=CCN(CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000661760272 411871253 /nfs/dbraw/zinc/87/12/53/411871253.db2.gz OTYBGZKYRJLKRN-ZDUSSCGKSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCN(CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000661760272 411871258 /nfs/dbraw/zinc/87/12/58/411871258.db2.gz OTYBGZKYRJLKRN-ZDUSSCGKSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665230683 412168229 /nfs/dbraw/zinc/16/82/29/412168229.db2.gz UDJAEUVABUCVOA-GBJTYRQASA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000665230683 412168231 /nfs/dbraw/zinc/16/82/31/412168231.db2.gz UDJAEUVABUCVOA-GBJTYRQASA-N 1 3 236.403 2.851 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000562697612 323028095 /nfs/dbraw/zinc/02/80/95/323028095.db2.gz XBOZHAVANQHPJV-CABCVRRESA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000562697612 323028096 /nfs/dbraw/zinc/02/80/96/323028096.db2.gz XBOZHAVANQHPJV-CABCVRRESA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000530209409 323209858 /nfs/dbraw/zinc/20/98/58/323209858.db2.gz HGLBGFLRUAKVEK-STQMWFEESA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCC[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530219199 323217921 /nfs/dbraw/zinc/21/79/21/323217921.db2.gz KXWUFOXYTNZZKM-KBPBESRZSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CCC[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530219199 323217922 /nfs/dbraw/zinc/21/79/22/323217922.db2.gz KXWUFOXYTNZZKM-KBPBESRZSA-N 1 3 234.387 2.605 20 30 BFEDHO C=CCN(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000678213717 488218496 /nfs/dbraw/zinc/21/84/96/488218496.db2.gz CTYCUGUCPULSOP-UHFFFAOYSA-N 1 3 232.371 2.756 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358615503 534373786 /nfs/dbraw/zinc/37/37/86/534373786.db2.gz NQSOAMPGLBUVNT-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000358615503 534373794 /nfs/dbraw/zinc/37/37/94/534373794.db2.gz NQSOAMPGLBUVNT-ZIAGYGMSSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261556166 534554610 /nfs/dbraw/zinc/55/46/10/534554610.db2.gz QLWYNVOHAHABPZ-STQMWFEESA-N 1 3 224.392 2.696 20 30 BFEDHO CCN(CC#CC[N@H+](CC)C1CCC1)C1CCC1 ZINC000341885520 535766342 /nfs/dbraw/zinc/76/63/42/535766342.db2.gz DYMHGQOSCKSYIC-UHFFFAOYSA-N 1 3 248.414 2.739 20 30 BFEDHO CCN(CC#CC[N@@H+](CC)C1CCC1)C1CCC1 ZINC000341885520 535766346 /nfs/dbraw/zinc/76/63/46/535766346.db2.gz DYMHGQOSCKSYIC-UHFFFAOYSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CC[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000895339287 583653332 /nfs/dbraw/zinc/65/33/32/583653332.db2.gz ZRWIFFCZXSDSHM-CQSZACIVSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CC[C@@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000895339287 583653333 /nfs/dbraw/zinc/65/33/33/583653333.db2.gz ZRWIFFCZXSDSHM-CQSZACIVSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902442011 584597667 /nfs/dbraw/zinc/59/76/67/584597667.db2.gz GQEBAZOCKUSORY-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO CC1(C#N)CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000902485294 584625006 /nfs/dbraw/zinc/62/50/06/584625006.db2.gz ZJDPZOYFOMBOJU-SHARSMKWSA-N 1 3 249.402 2.581 20 30 BFEDHO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCCCNC2)C1 ZINC000903764808 584797331 /nfs/dbraw/zinc/79/73/31/584797331.db2.gz BNJGRCZFTBHKMJ-CABCVRRESA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCCCNC2)C1 ZINC000903764808 584797332 /nfs/dbraw/zinc/79/73/32/584797332.db2.gz BNJGRCZFTBHKMJ-CABCVRRESA-N 1 3 236.403 2.664 20 30 BFEDHO C[C@H]1C[C@H]([NH3+])CCN1CCCCC1(C#N)CCC1 ZINC000903768836 584797838 /nfs/dbraw/zinc/79/78/38/584797838.db2.gz SBFJATQAXHIVIA-UONOGXRCSA-N 1 3 249.402 2.662 20 30 BFEDHO C=CCCC[N@@H+](CC)C[C@@H]1CCCCNC1 ZINC000903850420 584808335 /nfs/dbraw/zinc/80/83/35/584808335.db2.gz QIPUFJSCCWQTJB-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCC[N@H+](CC)C[C@@H]1CCCCNC1 ZINC000903850420 584808336 /nfs/dbraw/zinc/80/83/36/584808336.db2.gz QIPUFJSCCWQTJB-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCN(CC)C[C@@H]1CCCC[NH2+]C1 ZINC000903850420 584808337 /nfs/dbraw/zinc/80/83/37/584808337.db2.gz QIPUFJSCCWQTJB-CQSZACIVSA-N 1 3 224.392 2.664 20 30 BFEDHO C#CCN(CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000767351301 585517352 /nfs/dbraw/zinc/51/73/52/585517352.db2.gz ZXXOZLCLAHGSRL-HNNXBMFYSA-N 1 3 248.414 2.739 20 30 BFEDHO C#CCN(CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000767351301 585517353 /nfs/dbraw/zinc/51/73/53/585517353.db2.gz ZXXOZLCLAHGSRL-HNNXBMFYSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCCCCCCC[NH2+][C@H](C)C1CNC1 ZINC000817931557 586842549 /nfs/dbraw/zinc/84/25/49/586842549.db2.gz LQMDMZDYJZUEFC-CYBMUJFWSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000817932980 586843430 /nfs/dbraw/zinc/84/34/30/586843430.db2.gz YSVMNHGZNILGOX-CHWSQXEVSA-N 1 3 212.381 2.838 20 30 BFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073817 590278447 /nfs/dbraw/zinc/27/84/47/590278447.db2.gz SPKOTPSUATXAQN-NEXFUWMNSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878149350 590506180 /nfs/dbraw/zinc/50/61/80/590506180.db2.gz WHNVUELNVTWUSW-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000878149350 590506181 /nfs/dbraw/zinc/50/61/81/590506181.db2.gz WHNVUELNVTWUSW-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000878149350 590506184 /nfs/dbraw/zinc/50/61/84/590506184.db2.gz WHNVUELNVTWUSW-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000878157123 590508947 /nfs/dbraw/zinc/50/89/47/590508947.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000878157123 590508949 /nfs/dbraw/zinc/50/89/49/590508949.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878157123 590508951 /nfs/dbraw/zinc/50/89/51/590508951.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157123 590508952 /nfs/dbraw/zinc/50/89/52/590508952.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473146 591053114 /nfs/dbraw/zinc/05/31/14/591053114.db2.gz QMENBJNTZCBISL-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164668581 640494723 /nfs/dbraw/zinc/49/47/23/640494723.db2.gz NLAUCWSWXOTRPO-UONOGXRCSA-N 1 3 226.408 2.874 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164668581 640494730 /nfs/dbraw/zinc/49/47/30/640494730.db2.gz NLAUCWSWXOTRPO-UONOGXRCSA-N 1 3 226.408 2.874 20 30 BFEDHO CCCCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC000059089457 640784668 /nfs/dbraw/zinc/78/46/68/640784668.db2.gz NKBPZJLGBJQRQB-ZDUSSCGKSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000059089457 640784673 /nfs/dbraw/zinc/78/46/73/640784673.db2.gz NKBPZJLGBJQRQB-ZDUSSCGKSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC000059089457 640784665 /nfs/dbraw/zinc/78/46/65/640784665.db2.gz NKBPZJLGBJQRQB-ZDUSSCGKSA-N 1 3 212.381 2.628 20 30 BFEDHO C=C(C)CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925680049 646407788 /nfs/dbraw/zinc/40/77/88/646407788.db2.gz GSDAXPLLHOPRDI-CABCVRRESA-N 1 3 236.403 2.711 20 30 BFEDHO CCCCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000703726125 712085970 /nfs/dbraw/zinc/08/59/70/712085970.db2.gz CYJKKPSKKWLXMC-QWHCGFSZSA-N 1 3 212.381 2.674 20 30 BFEDHO CCCCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000703726127 712085938 /nfs/dbraw/zinc/08/59/38/712085938.db2.gz CYJKKPSKKWLXMC-STQMWFEESA-N 1 3 212.381 2.674 20 30 BFEDHO C=CCCCCCCC[N@H+]1CC[C@@](C)(N)C1 ZINC001204763408 963376638 /nfs/dbraw/zinc/37/66/38/963376638.db2.gz JDVWGZIPSDYZHA-CQSZACIVSA-N 1 3 224.392 2.936 20 30 BFEDHO C=CCCCCCCC[N@@H+]1CC[C@@](C)(N)C1 ZINC001204763408 963376647 /nfs/dbraw/zinc/37/66/47/963376647.db2.gz JDVWGZIPSDYZHA-CQSZACIVSA-N 1 3 224.392 2.936 20 30 BFEDHO C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172489297 974834781 /nfs/dbraw/zinc/83/47/81/974834781.db2.gz QAHQWLYXANTIRD-HZSPNIEDSA-N 1 3 237.391 2.531 20 30 BFEDHO C=CCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237728 972420166 /nfs/dbraw/zinc/42/01/66/972420166.db2.gz RBZSCVCJLWZQFH-AWEZNQCLSA-N 1 3 222.376 2.561 20 30 BFEDHO C=CCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222237728 972420172 /nfs/dbraw/zinc/42/01/72/972420172.db2.gz RBZSCVCJLWZQFH-AWEZNQCLSA-N 1 3 222.376 2.561 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000925635720 960486897 /nfs/dbraw/zinc/48/68/97/960486897.db2.gz OKNMSSQAIDKIGC-QWHCGFSZSA-N 1 3 222.376 2.605 20 30 BFEDHO CCCCCCC[N@@H+]1CCC[C@](C)(N)C1 ZINC001204938126 967247018 /nfs/dbraw/zinc/24/70/18/967247018.db2.gz JCAMDVUAAUAGOV-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCC[N@H+]1CCC[C@](C)(N)C1 ZINC001204938126 967247027 /nfs/dbraw/zinc/24/70/27/967247027.db2.gz JCAMDVUAAUAGOV-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO C[C@@H](CCCC#N)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001172497255 974846746 /nfs/dbraw/zinc/84/67/46/974846746.db2.gz AIFFVJZAZUINKF-ZDUSSCGKSA-N 1 3 249.402 2.627 20 30 BFEDHO C[C@H](CCCC#N)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001172497254 974848763 /nfs/dbraw/zinc/84/87/63/974848763.db2.gz AIFFVJZAZUINKF-CYBMUJFWSA-N 1 3 249.402 2.627 20 30 BFEDHO C=CCC[N@H+](Cc1ccccc1)C[C@H](N)CC ZINC001235701937 979129410 /nfs/dbraw/zinc/12/94/10/979129410.db2.gz DYRVHKIMJNCQKF-OAHLLOKOSA-N 1 3 232.371 2.802 20 30 BFEDHO C=CCC[N@@H+](Cc1ccccc1)C[C@H](N)CC ZINC001235701937 979129416 /nfs/dbraw/zinc/12/94/16/979129416.db2.gz DYRVHKIMJNCQKF-OAHLLOKOSA-N 1 3 232.371 2.802 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235981540 979262708 /nfs/dbraw/zinc/26/27/08/979262708.db2.gz WRWYINDDCSWUTP-OAGGEKHMSA-N 1 3 246.398 2.712 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235981540 979262713 /nfs/dbraw/zinc/26/27/13/979262713.db2.gz WRWYINDDCSWUTP-OAGGEKHMSA-N 1 3 246.398 2.712 20 30 BFEDHO CCCCCCC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246149091 987498473 /nfs/dbraw/zinc/49/84/73/987498473.db2.gz QRYCCDNEVXXQIT-MQYQWHSLSA-N 1 3 224.392 2.543 20 30 BFEDHO C#CCCN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716911 987540201 /nfs/dbraw/zinc/54/02/01/987540201.db2.gz NFVIUSZUOJMHMC-MRXNPFEDSA-N 1 3 248.414 2.596 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246189036 987573217 /nfs/dbraw/zinc/57/32/17/987573217.db2.gz LOVTXFZFLPXDLH-UPJWGTAASA-N 1 3 212.381 2.815 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H](N)C1 ZINC001246189031 987573582 /nfs/dbraw/zinc/57/35/82/987573582.db2.gz LOVTXFZFLPXDLH-JHJVBQTASA-N 1 3 212.381 2.815 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001246324363 987723447 /nfs/dbraw/zinc/72/34/47/987723447.db2.gz KOJLLHRVHVFLCU-STQMWFEESA-N 1 3 214.397 2.920 20 30 BFEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@H](C)C1 ZINC001246948497 988787963 /nfs/dbraw/zinc/78/79/63/988787963.db2.gz KKIPNBNIHMXCCE-HIFRSBDPSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](C)C1 ZINC001246948497 988787972 /nfs/dbraw/zinc/78/79/72/988787972.db2.gz KKIPNBNIHMXCCE-HIFRSBDPSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258734314 991680075 /nfs/dbraw/zinc/68/00/75/991680075.db2.gz WMYJLCRCXJTFKI-SOUVJXGZSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258734314 991680080 /nfs/dbraw/zinc/68/00/80/991680080.db2.gz WMYJLCRCXJTFKI-SOUVJXGZSA-N 1 3 236.403 2.615 20 30 BFEDHO C=CCC[C@H](C)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001258734313 991680137 /nfs/dbraw/zinc/68/01/37/991680137.db2.gz WMYJLCRCXJTFKI-RRFJBIMHSA-N 1 3 236.403 2.615 20 30 BFEDHO C=C(C)CN(C)[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC000156968020 136213702 /nfs/dbraw/zinc/21/37/02/136213702.db2.gz YKBJRLLPEIQOPT-OAHLLOKOSA-N 1 3 236.403 2.925 20 30 BFEDHO C=C(C)CN(C)[C@@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC000156968020 136213703 /nfs/dbraw/zinc/21/37/03/136213703.db2.gz YKBJRLLPEIQOPT-OAHLLOKOSA-N 1 3 236.403 2.925 20 30 BFEDHO C=C(C)CN(C)[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC000156967847 136213729 /nfs/dbraw/zinc/21/37/29/136213729.db2.gz YKBJRLLPEIQOPT-HNNXBMFYSA-N 1 3 236.403 2.925 20 30 BFEDHO C=C(C)CN(C)[C@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC000156967847 136213730 /nfs/dbraw/zinc/21/37/30/136213730.db2.gz YKBJRLLPEIQOPT-HNNXBMFYSA-N 1 3 236.403 2.925 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000344290823 365676276 /nfs/dbraw/zinc/67/62/76/365676276.db2.gz CVQGVIJZTAGCAX-SOUVJXGZSA-N 1 3 236.403 2.948 20 30 BFEDHO C=C(CC)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000313489392 259335703 /nfs/dbraw/zinc/33/57/03/259335703.db2.gz RUGRIOHXBUSXBU-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO CC1(C)CC(N[C@@H]2CC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885688 136358036 /nfs/dbraw/zinc/35/80/36/136358036.db2.gz MZTXJANNCRHYTN-VXGBXAGGSA-N 1 3 249.402 2.577 20 30 BFEDHO C=CCC[C@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005799 345209695 /nfs/dbraw/zinc/20/96/95/345209695.db2.gz KDABESOVUUDKOH-GOEBONIOSA-N 1 3 246.398 2.891 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635013505 345218310 /nfs/dbraw/zinc/21/83/10/345218310.db2.gz YSAYYQZJOANZHH-MELADBBJSA-N 1 3 238.419 2.955 20 30 BFEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000253193458 535007404 /nfs/dbraw/zinc/00/74/04/535007404.db2.gz OPNWZQGDZXMODN-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253193458 535007410 /nfs/dbraw/zinc/00/74/10/535007410.db2.gz OPNWZQGDZXMODN-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253193458 535007413 /nfs/dbraw/zinc/00/74/13/535007413.db2.gz OPNWZQGDZXMODN-KGLIPLIRSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]C[C@H](C)CN(C)C ZINC000381574903 346377348 /nfs/dbraw/zinc/37/73/48/346377348.db2.gz ZJSONCUSNNVOBR-KBPBESRZSA-N 1 3 226.408 2.909 20 30 BFEDHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000596653393 348606687 /nfs/dbraw/zinc/60/66/87/348606687.db2.gz KIDJBIJEIGXFME-SWLSCSKDSA-N 1 3 245.370 2.582 20 30 BFEDHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971330 353576093 /nfs/dbraw/zinc/57/60/93/353576093.db2.gz XOCSZJFOUDOUKR-HIFRSBDPSA-N 1 3 249.402 2.531 20 30 BFEDHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971300 353576196 /nfs/dbraw/zinc/57/61/96/353576196.db2.gz XOCSZJFOUDOUKR-ZFWWWQNUSA-N 1 3 249.402 2.531 20 30 BFEDHO C=C(C)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684139 356600751 /nfs/dbraw/zinc/60/07/51/356600751.db2.gz RREBKCPZABIQFY-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO C=C(C)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684139 356600754 /nfs/dbraw/zinc/60/07/54/356600754.db2.gz RREBKCPZABIQFY-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO CCC[NH+]1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361441319 134205501 /nfs/dbraw/zinc/20/55/01/134205501.db2.gz UZOOFFLRDAONPL-HIFRSBDPSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423380834 192757607 /nfs/dbraw/zinc/75/76/07/192757607.db2.gz YTQQHSZYCGBHAR-MJBXVCDLSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCC1 ZINC000575072304 361275499 /nfs/dbraw/zinc/27/54/99/361275499.db2.gz XIXPVAQVZNPVJN-KBPBESRZSA-N 1 3 236.403 2.982 20 30 BFEDHO C=CC(C)(C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000385016252 367772848 /nfs/dbraw/zinc/77/28/48/367772848.db2.gz YYTNYIBUDFHXQV-ZIAGYGMSSA-N 1 3 230.355 2.933 20 30 BFEDHO C=C(C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000386677385 368010398 /nfs/dbraw/zinc/01/03/98/368010398.db2.gz HLSBSMSDNUXYAB-UONOGXRCSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120987 371321598 /nfs/dbraw/zinc/32/15/98/371321598.db2.gz LHCSIISYCBCXGD-RRFJBIMHSA-N 1 3 238.419 2.909 20 30 BFEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122206 371323597 /nfs/dbraw/zinc/32/35/97/371323597.db2.gz MERPKMSJODHBGS-KBPBESRZSA-N 1 3 224.392 2.663 20 30 BFEDHO C=CCC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547851 384038945 /nfs/dbraw/zinc/03/89/45/384038945.db2.gz JTHHNQRRLGGHIS-CABCVRRESA-N 1 3 248.414 2.996 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423376935 384848408 /nfs/dbraw/zinc/84/84/08/384848408.db2.gz JKOFELMWHDDURV-RWMBFGLXSA-N 1 3 210.365 2.591 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423376933 384849051 /nfs/dbraw/zinc/84/90/51/384849051.db2.gz JKOFELMWHDDURV-AVGNSLFASA-N 1 3 210.365 2.591 20 30 BFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(N)CCCCCC2)C1 ZINC000335059666 385961895 /nfs/dbraw/zinc/96/18/95/385961895.db2.gz MLWIYRZDLXWJDK-ZIAGYGMSSA-N 1 3 249.402 2.710 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423337948 387185239 /nfs/dbraw/zinc/18/52/39/387185239.db2.gz UNUPZAUQXUMOOC-MJBXVCDLSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCCCC[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423353389 387205417 /nfs/dbraw/zinc/20/54/17/387205417.db2.gz CZPSBXACOSJMDZ-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423348263 387196810 /nfs/dbraw/zinc/19/68/10/387196810.db2.gz SUHCHSUFMOLBKI-CABCVRRESA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423390929 387277296 /nfs/dbraw/zinc/27/72/96/387277296.db2.gz WMXXIINNCJLNEQ-MJBXVCDLSA-N 1 3 224.392 2.851 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442791015 387840548 /nfs/dbraw/zinc/84/05/48/387840548.db2.gz KDUQARAPTHQNHT-LXTVHRRPSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442791015 387840551 /nfs/dbraw/zinc/84/05/51/387840551.db2.gz KDUQARAPTHQNHT-LXTVHRRPSA-N 1 3 249.402 2.531 20 30 BFEDHO C[C@H](CCN[C@H]1CC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000442858285 387851659 /nfs/dbraw/zinc/85/16/59/387851659.db2.gz VBZPYSQPLLBNGX-KFWWJZLASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCCCC1 ZINC000442858285 387851663 /nfs/dbraw/zinc/85/16/63/387851663.db2.gz VBZPYSQPLLBNGX-KFWWJZLASA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC1 ZINC000423166649 387949822 /nfs/dbraw/zinc/94/98/22/387949822.db2.gz VOBDOFLPCOKGPH-OLZOCXBDSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423270521 388049459 /nfs/dbraw/zinc/04/94/59/388049459.db2.gz GNEZNAPVBOSDAY-FQUUOJAGSA-N 1 3 224.392 2.694 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000530213021 388627982 /nfs/dbraw/zinc/62/79/82/388627982.db2.gz SUYWZPXQEGTHBB-OLZOCXBDSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000554883056 388834740 /nfs/dbraw/zinc/83/47/40/388834740.db2.gz TYLGLPYNFDKUBT-ZNMIVQPWSA-N 1 3 238.419 2.907 20 30 BFEDHO C=C(C)CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000352016138 533485280 /nfs/dbraw/zinc/48/52/80/533485280.db2.gz VHEMAQATSSFVOG-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C(C)CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000352016138 533485282 /nfs/dbraw/zinc/48/52/82/533485282.db2.gz VHEMAQATSSFVOG-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCN(C)Cc1cccc(C[N@H+](C)CC=C)c1 ZINC000121393333 135224373 /nfs/dbraw/zinc/22/43/73/135224373.db2.gz GGKPREDZYGLZDD-UHFFFAOYSA-N 1 3 244.382 2.922 20 30 BFEDHO C=CCN(C)Cc1cccc(C[N@@H+](C)CC=C)c1 ZINC000121393333 135224375 /nfs/dbraw/zinc/22/43/75/135224375.db2.gz GGKPREDZYGLZDD-UHFFFAOYSA-N 1 3 244.382 2.922 20 30 BFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000651967540 409806951 /nfs/dbraw/zinc/80/69/51/409806951.db2.gz JUTVVGDAYVSNBI-MGPQQGTHSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCC[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000271883934 166301967 /nfs/dbraw/zinc/30/19/67/166301967.db2.gz QFFPEPHWMCOOKT-HNNXBMFYSA-N 1 3 234.387 2.583 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000665281012 410757471 /nfs/dbraw/zinc/75/74/71/410757471.db2.gz RNJHNIDYGLLTGD-QWHCGFSZSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CCC[C@H](C)[NH2+]CCCN(C)CC(C)C ZINC000651865719 411147753 /nfs/dbraw/zinc/14/77/53/411147753.db2.gz FSBJVTGXLPAMGP-AWEZNQCLSA-N 1 3 226.408 2.909 20 30 BFEDHO C=CCC1(NCC[NH2+]C(C)(C)C)CCCC1 ZINC000656791493 411371114 /nfs/dbraw/zinc/37/11/14/411371114.db2.gz HXJJCDKHDQTIAU-UHFFFAOYSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCC(C)(C)NCC[NH2+]C(C)(C)C ZINC000663507286 411689370 /nfs/dbraw/zinc/68/93/70/411689370.db2.gz NJRFQRCZJJRQHH-UHFFFAOYSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230685 412167109 /nfs/dbraw/zinc/16/71/09/412167109.db2.gz UDJAEUVABUCVOA-KBXIAJHMSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000665230685 412167113 /nfs/dbraw/zinc/16/71/13/412167113.db2.gz UDJAEUVABUCVOA-KBXIAJHMSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H](C)N ZINC000665230074 412167428 /nfs/dbraw/zinc/16/74/28/412167428.db2.gz IIBIJFZCHULYLH-DGAVXFQQSA-N 1 3 224.392 2.837 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000566778547 326082216 /nfs/dbraw/zinc/08/22/16/326082216.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000566778547 326082218 /nfs/dbraw/zinc/08/22/18/326082218.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000566778547 326082221 /nfs/dbraw/zinc/08/22/21/326082221.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000566778547 326082222 /nfs/dbraw/zinc/08/22/22/326082222.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000651680301 491073628 /nfs/dbraw/zinc/07/36/28/491073628.db2.gz FTACHARIYKDZMZ-UGUYLWEFSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000651680300 491073635 /nfs/dbraw/zinc/07/36/35/491073635.db2.gz FTACHARIYKDZMZ-QXSJWSMHSA-N 1 3 248.414 2.948 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000341448799 534360313 /nfs/dbraw/zinc/36/03/13/534360313.db2.gz DHBNFECZOGVAMM-BYNSBNAKSA-N 1 3 236.403 2.804 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261556163 534553559 /nfs/dbraw/zinc/55/35/59/534553559.db2.gz QLWYNVOHAHABPZ-CHWSQXEVSA-N 1 3 224.392 2.696 20 30 BFEDHO CCCCCCCCN1CC[C@@H](C[NH2+]C)C1 ZINC000112706151 588813196 /nfs/dbraw/zinc/81/31/96/588813196.db2.gz CXUKYJPNTVCBSP-AWEZNQCLSA-N 1 3 226.408 2.888 20 30 BFEDHO C=CC(C)(C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902388312 584579840 /nfs/dbraw/zinc/57/98/40/584579840.db2.gz OTTOMGBUGAIDFA-LBPRGKRZSA-N 1 3 224.392 2.566 20 30 BFEDHO C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903716547 584791795 /nfs/dbraw/zinc/79/17/95/584791795.db2.gz OSSLPZTYKPOBQZ-ZIAGYGMSSA-N 1 3 249.402 2.520 20 30 BFEDHO C[C@H]([NH3+])[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000903744283 584796915 /nfs/dbraw/zinc/79/69/15/584796915.db2.gz QTYRMZZSZIZMCF-UONOGXRCSA-N 1 3 249.402 2.520 20 30 BFEDHO C=CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000848716876 588407946 /nfs/dbraw/zinc/40/79/46/588407946.db2.gz KKTNBHRVEYKFJT-ZNMIVQPWSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000878746672 590618143 /nfs/dbraw/zinc/61/81/43/590618143.db2.gz BTRQWEQHAIZWGO-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000878746672 590618144 /nfs/dbraw/zinc/61/81/44/590618144.db2.gz BTRQWEQHAIZWGO-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259051 590978831 /nfs/dbraw/zinc/97/88/31/590978831.db2.gz LHWLOONZIZRNOS-ZIAGYGMSSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259051 590978833 /nfs/dbraw/zinc/97/88/33/590978833.db2.gz LHWLOONZIZRNOS-ZIAGYGMSSA-N 1 3 245.370 2.557 20 30 BFEDHO C=C(CC)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134941 592449649 /nfs/dbraw/zinc/44/96/49/592449649.db2.gz SUDPUTHOPANYEZ-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887136024 592450584 /nfs/dbraw/zinc/45/05/84/592450584.db2.gz GQYGIZQOTGMQJT-UONOGXRCSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887136024 592450588 /nfs/dbraw/zinc/45/05/88/592450588.db2.gz GQYGIZQOTGMQJT-UONOGXRCSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887136023 592451799 /nfs/dbraw/zinc/45/17/99/592451799.db2.gz GQYGIZQOTGMQJT-KGLIPLIRSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887136023 592451802 /nfs/dbraw/zinc/45/18/02/592451802.db2.gz GQYGIZQOTGMQJT-KGLIPLIRSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CCCCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000309182937 631924342 /nfs/dbraw/zinc/92/43/42/631924342.db2.gz GBXMKRKNRRXLBN-UONOGXRCSA-N 1 3 224.392 2.840 20 30 BFEDHO C=C(CC)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903188132 637355681 /nfs/dbraw/zinc/35/56/81/637355681.db2.gz ZAWGADMCEQOKDQ-LQDVMPOASA-N 1 3 234.387 2.700 20 30 BFEDHO C=C(CC)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903188132 637355684 /nfs/dbraw/zinc/35/56/84/637355684.db2.gz ZAWGADMCEQOKDQ-LQDVMPOASA-N 1 3 234.387 2.700 20 30 BFEDHO C=CCC1(C[NH2+][C@@H]2CCNC23CCC3)CCCC1 ZINC000925685011 646411817 /nfs/dbraw/zinc/41/18/17/646411817.db2.gz CIAMUBBYLYMRPL-CQSZACIVSA-N 1 3 248.414 2.997 20 30 BFEDHO C=CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000703702279 712084246 /nfs/dbraw/zinc/08/42/46/712084246.db2.gz WEOMSQWDGRWKLF-CABCVRRESA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000703702279 712084248 /nfs/dbraw/zinc/08/42/48/712084248.db2.gz WEOMSQWDGRWKLF-CABCVRRESA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000703702281 712084316 /nfs/dbraw/zinc/08/43/16/712084316.db2.gz WEOMSQWDGRWKLF-GJZGRUSLSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000703702281 712084317 /nfs/dbraw/zinc/08/43/17/712084317.db2.gz WEOMSQWDGRWKLF-GJZGRUSLSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CCCCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235164639 978985680 /nfs/dbraw/zinc/98/56/80/978985680.db2.gz CBHNYTNOPLMCTM-LSDHHAIUSA-N 1 3 236.403 2.936 20 30 BFEDHO C=CCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235164639 978985686 /nfs/dbraw/zinc/98/56/86/978985686.db2.gz CBHNYTNOPLMCTM-LSDHHAIUSA-N 1 3 236.403 2.936 20 30 BFEDHO C=CCCCCCCN1CCC[NH2+]CCC1 ZINC001236241344 979461339 /nfs/dbraw/zinc/46/13/39/979461339.db2.gz YEFJBXGEKMTQPZ-UHFFFAOYSA-N 1 3 224.392 2.808 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](N)[C@H]2C)CC1 ZINC001205171780 967413822 /nfs/dbraw/zinc/41/38/22/967413822.db2.gz YVRKUWRZQQKWEU-BPLDGKMQSA-N 1 3 234.387 2.711 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](N)[C@H]2C)CC1 ZINC001205171780 967413826 /nfs/dbraw/zinc/41/38/26/967413826.db2.gz YVRKUWRZQQKWEU-BPLDGKMQSA-N 1 3 234.387 2.711 20 30 BFEDHO C=CCCCCCC[N@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206036817 967988693 /nfs/dbraw/zinc/98/86/93/967988693.db2.gz QTBRLPDEQXJVRK-ZIAGYGMSSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206036817 967988704 /nfs/dbraw/zinc/98/87/04/967988704.db2.gz QTBRLPDEQXJVRK-ZIAGYGMSSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209207210 969393193 /nfs/dbraw/zinc/39/31/93/969393193.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 1 3 222.376 2.511 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209207210 969393197 /nfs/dbraw/zinc/39/31/97/969393197.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 1 3 222.376 2.511 20 30 BFEDHO C#CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001169118061 969413451 /nfs/dbraw/zinc/41/34/51/969413451.db2.gz CQFXQHWRFNJCMB-QDMKHBRRSA-N 1 3 246.398 2.537 20 30 BFEDHO C#CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169118061 969413455 /nfs/dbraw/zinc/41/34/55/969413455.db2.gz CQFXQHWRFNJCMB-QDMKHBRRSA-N 1 3 246.398 2.537 20 30 BFEDHO C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172489301 974835260 /nfs/dbraw/zinc/83/52/60/974835260.db2.gz QAHQWLYXANTIRD-RDBSUJKOSA-N 1 3 237.391 2.531 20 30 BFEDHO C=CCCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000300224068 984283742 /nfs/dbraw/zinc/28/37/42/984283742.db2.gz KSPPSWSAWPBYMM-UONOGXRCSA-N 1 3 224.392 2.650 20 30 BFEDHO C=CCCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000300224068 984283753 /nfs/dbraw/zinc/28/37/53/984283753.db2.gz KSPPSWSAWPBYMM-UONOGXRCSA-N 1 3 224.392 2.650 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@@H]1CCNC1 ZINC001246115399 987452982 /nfs/dbraw/zinc/45/29/82/987452982.db2.gz HNRGVKZSKZTJFN-QWHCGFSZSA-N 1 3 212.381 2.687 20 30 BFEDHO CCCCCCCN[C@@H]1CCCC[NH2+]C1 ZINC001246227544 987625030 /nfs/dbraw/zinc/62/50/30/987625030.db2.gz DMNGACHWJNDZAF-CYBMUJFWSA-N 1 3 212.381 2.689 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+]C(C)(C)CCN)C[C@H](C1)C2 ZINC001246363041 987773290 /nfs/dbraw/zinc/77/32/90/987773290.db2.gz OJTGZOCEJTXOHZ-PBWFPOADSA-N 1 3 236.403 2.838 20 30 BFEDHO C=C1C[C@@H]2CC(NCC[NH2+]C(C)C)C[C@H](C1)C2 ZINC001246452252 987808579 /nfs/dbraw/zinc/80/85/79/987808579.db2.gz JADQDIRDFKOBNG-YIONKMFJSA-N 1 3 236.403 2.709 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246611458 988236738 /nfs/dbraw/zinc/23/67/38/988236738.db2.gz TZTLVACDAJPUHC-KBPBESRZSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246611458 988236751 /nfs/dbraw/zinc/23/67/51/988236751.db2.gz TZTLVACDAJPUHC-KBPBESRZSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCC[C@@H](C)[NH+]1CCC(N(C)CC)CC1 ZINC001258733890 991679917 /nfs/dbraw/zinc/67/99/17/991679917.db2.gz NRBLDPKDRHXOKD-CYBMUJFWSA-N 1 3 224.392 2.757 20 30 BFEDHO CCCCCCC[N@@H+]1CCC[C@@H](N)CC1 ZINC000382318713 993446966 /nfs/dbraw/zinc/44/69/66/993446966.db2.gz SLKUEQIZFALTLZ-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCC[N@H+]1CCC[C@@H](N)CC1 ZINC000382318713 993446968 /nfs/dbraw/zinc/44/69/68/993446968.db2.gz SLKUEQIZFALTLZ-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@@H](C)N ZINC000423174195 398164596 /nfs/dbraw/zinc/16/45/96/398164596.db2.gz BOUPROKBKWOKHK-IJEWVQPXSA-N 1 3 246.398 2.889 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000344290815 365676999 /nfs/dbraw/zinc/67/69/99/365676999.db2.gz CVQGVIJZTAGCAX-KKUMJFAQSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351598735 136247499 /nfs/dbraw/zinc/24/74/99/136247499.db2.gz VEGMSIKTQGVQMP-HNNXBMFYSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351598735 136247500 /nfs/dbraw/zinc/24/75/00/136247500.db2.gz VEGMSIKTQGVQMP-HNNXBMFYSA-N 1 3 236.403 2.759 20 30 BFEDHO C=C(C)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730377 136250341 /nfs/dbraw/zinc/25/03/41/136250341.db2.gz NOSFRQACSVCQJP-GOEBONIOSA-N 1 3 248.414 2.901 20 30 BFEDHO C=C(C)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000351730377 136250342 /nfs/dbraw/zinc/25/03/42/136250342.db2.gz NOSFRQACSVCQJP-GOEBONIOSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCC[C@H](C)[NH2+]CCCN(CC)CC ZINC000126696726 344183012 /nfs/dbraw/zinc/18/30/12/344183012.db2.gz BPQGTXBEMUECKQ-ZDUSSCGKSA-N 1 3 212.381 2.663 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000358503687 344565878 /nfs/dbraw/zinc/56/58/78/344565878.db2.gz DNYHWICIOUMSPE-KGLIPLIRSA-N 1 3 224.392 2.757 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000358503687 344565879 /nfs/dbraw/zinc/56/58/79/344565879.db2.gz DNYHWICIOUMSPE-KGLIPLIRSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000635020121 345222561 /nfs/dbraw/zinc/22/25/61/345222561.db2.gz JUGBGSARHMSWFC-QWHCGFSZSA-N 1 3 224.392 2.838 20 30 BFEDHO N#CC1(CNC2CCC(C[NH3+])CC2)CCCCC1 ZINC000594739937 348110640 /nfs/dbraw/zinc/11/06/40/348110640.db2.gz TYLFCMYSUWHFAO-UHFFFAOYSA-N 1 3 249.402 2.568 20 30 BFEDHO C=CCSCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000231932922 353673970 /nfs/dbraw/zinc/67/39/70/353673970.db2.gz OYAGGCNVIXOVBE-KBPBESRZSA-N 1 3 248.395 2.640 20 30 BFEDHO N#C[C@@H]1CCC[C@@H](N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000423259476 192656463 /nfs/dbraw/zinc/65/64/63/192656463.db2.gz DVTRJRRRQVCUSY-BPLDGKMQSA-N 1 3 249.402 2.566 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]C[C@@H](C)CNC ZINC000423282292 192675989 /nfs/dbraw/zinc/67/59/89/192675989.db2.gz WKEFBFBYSUOBMO-STQMWFEESA-N 1 3 212.381 2.566 20 30 BFEDHO C=CCC[C@H](CCC)N[C@H]1CC[NH2+]C12CCC2 ZINC000629384983 361032505 /nfs/dbraw/zinc/03/25/05/361032505.db2.gz KSMULTHXVSTNMI-KBPBESRZSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCNC12CCC2 ZINC000629384983 361032509 /nfs/dbraw/zinc/03/25/09/361032509.db2.gz KSMULTHXVSTNMI-KBPBESRZSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629515335 361112824 /nfs/dbraw/zinc/11/28/24/361112824.db2.gz OSCIVJZUFZIMBK-KGLIPLIRSA-N 1 3 236.403 2.996 20 30 BFEDHO CC[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1CC ZINC000574658152 365116423 /nfs/dbraw/zinc/11/64/23/365116423.db2.gz XENJFBOYOUTZSX-HZPDHXFCSA-N 1 3 248.414 2.739 20 30 BFEDHO CC[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1CC ZINC000574658152 365116431 /nfs/dbraw/zinc/11/64/31/365116431.db2.gz XENJFBOYOUTZSX-HZPDHXFCSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000580843697 367187186 /nfs/dbraw/zinc/18/71/86/367187186.db2.gz GPFFHMDAMUTSCS-UONOGXRCSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCC(C)(C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386376394 367958662 /nfs/dbraw/zinc/95/86/62/367958662.db2.gz CFLRAPZJKQOLKL-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=C(C)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000386645798 368005791 /nfs/dbraw/zinc/00/57/91/368005791.db2.gz AUHNCTFNSWQNMB-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120988 371321631 /nfs/dbraw/zinc/32/16/31/371321631.db2.gz LHCSIISYCBCXGD-SOUVJXGZSA-N 1 3 238.419 2.909 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336654408 206018948 /nfs/dbraw/zinc/01/89/48/206018948.db2.gz HFEJWEURHGBSGE-ZIAGYGMSSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545751 384013827 /nfs/dbraw/zinc/01/38/27/384013827.db2.gz BNQZNYNABMSECI-KGLIPLIRSA-N 1 3 236.403 2.996 20 30 BFEDHO C=C(CC)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000313492213 384420853 /nfs/dbraw/zinc/42/08/53/384420853.db2.gz MMRCTSFBUDMDDS-UHFFFAOYSA-N 1 3 245.370 2.606 20 30 BFEDHO C=CCCCN(C)CCC[NH+]1CCCCC1 ZINC000161171426 384881323 /nfs/dbraw/zinc/88/13/23/384881323.db2.gz ZDMXZAYOEYGWQV-UHFFFAOYSA-N 1 3 224.392 2.760 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]C[C@H](C)CN(C)C ZINC000309045150 385388799 /nfs/dbraw/zinc/38/87/99/385388799.db2.gz NZHFHUNJHYVWLJ-QWHCGFSZSA-N 1 3 212.381 2.519 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCNC[C@H]1C ZINC000423408957 387246646 /nfs/dbraw/zinc/24/66/46/387246646.db2.gz YFQFKMMBOAWIFO-RDBSUJKOSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423348264 387197243 /nfs/dbraw/zinc/19/72/43/387197243.db2.gz SUHCHSUFMOLBKI-GJZGRUSLSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423390928 387276590 /nfs/dbraw/zinc/27/65/90/387276590.db2.gz WMXXIINNCJLNEQ-MELADBBJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCNC(C)C ZINC000643508152 387486045 /nfs/dbraw/zinc/48/60/45/387486045.db2.gz PDKZKKPXKBVJFL-CHWSQXEVSA-N 1 3 212.381 2.565 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCNCC1 ZINC000643522225 387718199 /nfs/dbraw/zinc/71/81/99/387718199.db2.gz JXUIQNPXBDAKRO-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=C[C@H](C)N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422993667 387802405 /nfs/dbraw/zinc/80/24/05/387802405.db2.gz TVKNAJJULJLJAD-QEJZJMRPSA-N 1 3 230.355 2.644 20 30 BFEDHO C=CCCCC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423012255 387835761 /nfs/dbraw/zinc/83/57/61/387835761.db2.gz CPPYNVCHIZFLSA-JKXDFHQYSA-N 1 3 236.403 2.994 20 30 BFEDHO C=CCCC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423027103 387843162 /nfs/dbraw/zinc/84/31/62/387843162.db2.gz OGHFTZKCZNRDBA-ICIURTGMSA-N 1 3 222.376 2.604 20 30 BFEDHO C=C(CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423027167 387844380 /nfs/dbraw/zinc/84/43/80/387844380.db2.gz OMCAIPVQYRELLD-JKSUJKDBSA-N 1 3 244.382 2.807 20 30 BFEDHO C=C(C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000423027167 387844385 /nfs/dbraw/zinc/84/43/85/387844385.db2.gz OMCAIPVQYRELLD-JKSUJKDBSA-N 1 3 244.382 2.807 20 30 BFEDHO C[C@H](CCN[C@@H]1CC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000442858286 387851582 /nfs/dbraw/zinc/85/15/82/387851582.db2.gz VBZPYSQPLLBNGX-QLFBSQMISA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000442858286 387851585 /nfs/dbraw/zinc/85/15/85/387851585.db2.gz VBZPYSQPLLBNGX-QLFBSQMISA-N 1 3 249.402 2.533 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423096144 387885001 /nfs/dbraw/zinc/88/50/01/387885001.db2.gz GYZAMJXCYPIQNZ-YPMHNXCESA-N 1 3 247.386 2.854 20 30 BFEDHO C=CCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCC1 ZINC000423166651 387950639 /nfs/dbraw/zinc/95/06/39/387950639.db2.gz VOBDOFLPCOKGPH-STQMWFEESA-N 1 3 224.392 2.838 20 30 BFEDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424366810 387992635 /nfs/dbraw/zinc/99/26/35/387992635.db2.gz JTAPCZHLFIJFRV-BYNSBNAKSA-N 1 3 249.402 2.579 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)CNC ZINC000423277569 388058559 /nfs/dbraw/zinc/05/85/59/388058559.db2.gz PYYUAPXXGQDVSF-STQMWFEESA-N 1 3 212.381 2.566 20 30 BFEDHO C=CCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336667963 388461412 /nfs/dbraw/zinc/46/14/12/388461412.db2.gz QPJAKJLOQDLXME-UONOGXRCSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336667963 388461413 /nfs/dbraw/zinc/46/14/13/388461413.db2.gz QPJAKJLOQDLXME-UONOGXRCSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336667963 388461416 /nfs/dbraw/zinc/46/14/16/388461416.db2.gz QPJAKJLOQDLXME-UONOGXRCSA-N 1 3 222.376 2.559 20 30 BFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248989475 388703724 /nfs/dbraw/zinc/70/37/24/388703724.db2.gz NBMBYIBWKYRVGL-APIJFGDWSA-N 1 3 249.402 2.531 20 30 BFEDHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248989475 388703726 /nfs/dbraw/zinc/70/37/26/388703726.db2.gz NBMBYIBWKYRVGL-APIJFGDWSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576412 134267687 /nfs/dbraw/zinc/26/76/87/134267687.db2.gz UJWGRGUGLADUIP-OAHLLOKOSA-N 1 3 236.403 2.903 20 30 BFEDHO N#C[C@@H]1CCC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000185760915 134393932 /nfs/dbraw/zinc/39/39/32/134393932.db2.gz FHIGLODENUKXLU-HUUCEWRRSA-N 1 3 249.402 2.534 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000271807998 166295343 /nfs/dbraw/zinc/29/53/43/166295343.db2.gz AFPPZIJHVWVIJD-CQSZACIVSA-N 1 3 222.376 2.583 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]CC1=CCN(C)CC1 ZINC000271829978 166295538 /nfs/dbraw/zinc/29/55/38/166295538.db2.gz DVLDJPBGJKZXSM-OAHLLOKOSA-N 1 3 236.403 2.973 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000665230287 410724587 /nfs/dbraw/zinc/72/45/87/410724587.db2.gz MDGQRPVDSXHPEC-KBXIAJHMSA-N 1 3 236.403 2.981 20 30 BFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000657939226 411174268 /nfs/dbraw/zinc/17/42/68/411174268.db2.gz WAWFMMAROZGQSG-JKSUJKDBSA-N 1 3 248.414 2.973 20 30 BFEDHO C=CCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680344 411616675 /nfs/dbraw/zinc/61/66/75/411616675.db2.gz WWCLBTGXIOHAEL-UHFFFAOYSA-N 1 3 244.382 2.817 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665230686 412167137 /nfs/dbraw/zinc/16/71/37/412167137.db2.gz UDJAEUVABUCVOA-LJISPDSOSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000665230686 412167141 /nfs/dbraw/zinc/16/71/41/412167141.db2.gz UDJAEUVABUCVOA-LJISPDSOSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H](C)N ZINC000665230075 412168222 /nfs/dbraw/zinc/16/82/22/412168222.db2.gz IIBIJFZCHULYLH-FQUUOJAGSA-N 1 3 224.392 2.837 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000562697613 323028146 /nfs/dbraw/zinc/02/81/46/323028146.db2.gz XBOZHAVANQHPJV-GJZGRUSLSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000562697613 323028147 /nfs/dbraw/zinc/02/81/47/323028147.db2.gz XBOZHAVANQHPJV-GJZGRUSLSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000568533555 326364331 /nfs/dbraw/zinc/36/43/31/326364331.db2.gz TVKQQSAKHGZJRT-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCC[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000135991262 488065223 /nfs/dbraw/zinc/06/52/23/488065223.db2.gz NJKUVLHHXNKDRY-UHFFFAOYSA-N 1 3 244.382 2.730 20 30 BFEDHO C=CCCC[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000135991262 488065227 /nfs/dbraw/zinc/06/52/27/488065227.db2.gz NJKUVLHHXNKDRY-UHFFFAOYSA-N 1 3 244.382 2.730 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000341448801 534359232 /nfs/dbraw/zinc/35/92/32/534359232.db2.gz DHBNFECZOGVAMM-XQLPTFJDSA-N 1 3 236.403 2.804 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358615499 534374915 /nfs/dbraw/zinc/37/49/15/534374915.db2.gz NQSOAMPGLBUVNT-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358615499 534374917 /nfs/dbraw/zinc/37/49/17/534374917.db2.gz NQSOAMPGLBUVNT-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]CC[C@@H](C)N(C)C ZINC000895293632 583639732 /nfs/dbraw/zinc/63/97/32/583639732.db2.gz IJXYGYNQDKLGTN-CHWSQXEVSA-N 1 3 212.381 2.661 20 30 BFEDHO C=CCCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902374701 584567304 /nfs/dbraw/zinc/56/73/04/584567304.db2.gz PBVSUPWWGOUHLB-CYBMUJFWSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCCCNC2)C1 ZINC000903764813 584797099 /nfs/dbraw/zinc/79/70/99/584797099.db2.gz BNJGRCZFTBHKMJ-LSDHHAIUSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCCCNC2)C1 ZINC000903764813 584797100 /nfs/dbraw/zinc/79/71/00/584797100.db2.gz BNJGRCZFTBHKMJ-LSDHHAIUSA-N 1 3 236.403 2.664 20 30 BFEDHO C#CCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000754465588 585284984 /nfs/dbraw/zinc/28/49/84/585284984.db2.gz PAWFBPOGZPIHCW-HUUCEWRRSA-N 1 3 248.414 2.642 20 30 BFEDHO CCCCCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000116927273 589058774 /nfs/dbraw/zinc/05/87/74/589058774.db2.gz QFVYABBPZQTUIK-GJZGRUSLSA-N 1 3 238.419 2.888 20 30 BFEDHO C#CCC[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000859996587 589075020 /nfs/dbraw/zinc/07/50/20/589075020.db2.gz HZUDSOBFALNKSZ-UHFFFAOYSA-N 1 3 244.382 2.593 20 30 BFEDHO C#CCC[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000859996587 589075022 /nfs/dbraw/zinc/07/50/22/589075022.db2.gz HZUDSOBFALNKSZ-UHFFFAOYSA-N 1 3 244.382 2.593 20 30 BFEDHO C=CC(C)(C)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873278923 590017497 /nfs/dbraw/zinc/01/74/97/590017497.db2.gz AUSKIWQHHMMFCF-PBWFPOADSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000878132828 590504057 /nfs/dbraw/zinc/50/40/57/590504057.db2.gz CLGGHGJGWQYDPJ-CABCVRRESA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000878132828 590504058 /nfs/dbraw/zinc/50/40/58/590504058.db2.gz CLGGHGJGWQYDPJ-CABCVRRESA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132828 590504060 /nfs/dbraw/zinc/50/40/60/590504060.db2.gz CLGGHGJGWQYDPJ-CABCVRRESA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@@H](C)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000886719602 592310805 /nfs/dbraw/zinc/31/08/05/592310805.db2.gz AMWSZLKUUPYQHR-CQSZACIVSA-N 1 3 236.403 2.901 20 30 BFEDHO CCCCCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000104460057 592613916 /nfs/dbraw/zinc/61/39/16/592613916.db2.gz PCBHUQJIPCXPRG-AWEZNQCLSA-N 1 3 226.408 2.888 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000925714275 634426536 /nfs/dbraw/zinc/42/65/36/634426536.db2.gz OZXKZXAEDGKCGQ-QLFBSQMISA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925714275 634426545 /nfs/dbraw/zinc/42/65/45/634426545.db2.gz OZXKZXAEDGKCGQ-QLFBSQMISA-N 1 3 248.414 2.996 20 30 BFEDHO C=CC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925601610 634127448 /nfs/dbraw/zinc/12/74/48/634127448.db2.gz MKQBLBVTGJSETB-CFVMTHIKSA-N 1 3 236.403 2.709 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCNC12CCC2 ZINC000925724626 646449123 /nfs/dbraw/zinc/44/91/23/646449123.db2.gz LHQHOJIIMSWJGB-ZDUSSCGKSA-N 1 3 236.403 2.853 20 30 BFEDHO CC(C)[N@H+](C)CCCN[C@H](C)CC(C)(C)C#N ZINC000695841284 960502928 /nfs/dbraw/zinc/50/29/28/960502928.db2.gz GUODLCDRIOXEEA-CYBMUJFWSA-N 1 3 239.407 2.635 20 30 BFEDHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(C)(C)C#N ZINC000695841284 960502917 /nfs/dbraw/zinc/50/29/17/960502917.db2.gz GUODLCDRIOXEEA-CYBMUJFWSA-N 1 3 239.407 2.635 20 30 BFEDHO CCN(CCC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167826217 961159288 /nfs/dbraw/zinc/15/92/88/961159288.db2.gz PIENNCNCZYYVDG-CQSZACIVSA-N 1 3 239.407 2.732 20 30 BFEDHO C=CCCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693678771 987312286 /nfs/dbraw/zinc/31/22/86/987312286.db2.gz MZYWOAICMKQAFB-MJBXVCDLSA-N 1 3 236.403 2.709 20 30 BFEDHO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246610783 988238239 /nfs/dbraw/zinc/23/82/39/988238239.db2.gz NTGKAVZNMVQHST-GJZGRUSLSA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246610783 988238258 /nfs/dbraw/zinc/23/82/58/988238258.db2.gz NTGKAVZNMVQHST-GJZGRUSLSA-N 1 3 236.403 2.807 20 30 BFEDHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC001308987484 991254389 /nfs/dbraw/zinc/25/43/89/991254389.db2.gz OCKJMMLHNZMPEE-ZIAGYGMSSA-N 1 3 239.407 2.636 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001560623176 991524663 /nfs/dbraw/zinc/52/46/63/991524663.db2.gz QXERVOGKGJECJG-LYYZXLFJSA-N 1 3 248.414 2.661 20 30 BFEDHO C#CC(CC)(CC)NC1CC[NH+](CCC)CC1 ZINC001258763774 991722328 /nfs/dbraw/zinc/72/23/28/991722328.db2.gz CAQZPVUWVDEIMA-UHFFFAOYSA-N 1 3 236.403 2.642 20 30 BFEDHO C#CCCCCCC[N@H+]1CCCC[C@H]1CCN ZINC001574544677 992875513 /nfs/dbraw/zinc/87/55/13/992875513.db2.gz HQEDVEHPHUPQGO-HNNXBMFYSA-N 1 3 236.403 2.773 20 30 BFEDHO C#CCCCCCC[N@@H+]1CCCC[C@H]1CCN ZINC001574544677 992875517 /nfs/dbraw/zinc/87/55/17/992875517.db2.gz HQEDVEHPHUPQGO-HNNXBMFYSA-N 1 3 236.403 2.773 20 30 BFEDHO C=C(CN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423023831 398163233 /nfs/dbraw/zinc/16/32/33/398163233.db2.gz IEBWZJKYBVLQBN-BBRMVZONSA-N 1 3 244.382 2.678 20 30 BFEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@@H](C)N ZINC000423174194 398164363 /nfs/dbraw/zinc/16/43/63/398164363.db2.gz BOUPROKBKWOKHK-IIAWOOMASA-N 1 3 246.398 2.889 20 30 BFEDHO C=C(C)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730380 136250760 /nfs/dbraw/zinc/25/07/60/136250760.db2.gz NOSFRQACSVCQJP-ZBFHGGJFSA-N 1 3 248.414 2.901 20 30 BFEDHO C=C(C)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000351730380 136250761 /nfs/dbraw/zinc/25/07/61/136250761.db2.gz NOSFRQACSVCQJP-ZBFHGGJFSA-N 1 3 248.414 2.901 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000562533357 323023219 /nfs/dbraw/zinc/02/32/19/323023219.db2.gz NLPVXFCGKDLHHH-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]C[C@H](C)CN(C)C ZINC000381574905 346377391 /nfs/dbraw/zinc/37/73/91/346377391.db2.gz ZJSONCUSNNVOBR-UONOGXRCSA-N 1 3 226.408 2.909 20 30 BFEDHO C=CCCSCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000596649664 348605259 /nfs/dbraw/zinc/60/52/59/348605259.db2.gz DNYJQPYAQDPZFY-QWHCGFSZSA-N 1 3 242.432 2.545 20 30 BFEDHO C=CCN(CC=C)C/C=C/C[NH+](CC=C)CC=C ZINC000020230988 166332383 /nfs/dbraw/zinc/33/23/83/166332383.db2.gz GCYNFVBJYMNOLQ-MDZDMXLPSA-N 1 3 246.398 2.891 20 30 BFEDHO C=CC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000162645730 353323726 /nfs/dbraw/zinc/32/37/26/353323726.db2.gz AOEPSBFTDABMOU-CYBMUJFWSA-N 1 3 245.370 2.605 20 30 BFEDHO C=C(CC)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449732288 202012310 /nfs/dbraw/zinc/01/23/10/202012310.db2.gz BBLFJAPOHUFAFO-UHFFFAOYSA-N 1 3 224.392 2.805 20 30 BFEDHO C=C(C)CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000352046010 134046214 /nfs/dbraw/zinc/04/62/14/134046214.db2.gz JQKOMEUAMFCTGB-OAHLLOKOSA-N 1 3 236.403 2.903 20 30 BFEDHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(C#N)cc1 ZINC000049553075 356480486 /nfs/dbraw/zinc/48/04/86/356480486.db2.gz WVQUSUGVCCCARG-QWHCGFSZSA-N 1 3 245.370 2.549 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]C[C@H](C)CN(C)C ZINC000309045151 134161105 /nfs/dbraw/zinc/16/11/05/134161105.db2.gz NZHFHUNJHYVWLJ-STQMWFEESA-N 1 3 212.381 2.519 20 30 BFEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000423174196 192609477 /nfs/dbraw/zinc/60/94/77/192609477.db2.gz BOUPROKBKWOKHK-OFQRWUPVSA-N 1 3 246.398 2.889 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000398083653 357839799 /nfs/dbraw/zinc/83/97/99/357839799.db2.gz SQURYFPWJIOUAO-XQQFMLRXSA-N 1 3 210.365 2.591 20 30 BFEDHO C=CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000304193217 134236775 /nfs/dbraw/zinc/23/67/75/134236775.db2.gz AWDWCPJIJOQTFG-ZIAGYGMSSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423390926 192762992 /nfs/dbraw/zinc/76/29/92/192762992.db2.gz WMXXIINNCJLNEQ-IHRRRGAJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCC[C@@H](CCC)N[C@H]1CC[NH2+]C12CCC2 ZINC000629384984 361032651 /nfs/dbraw/zinc/03/26/51/361032651.db2.gz KSMULTHXVSTNMI-KGLIPLIRSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@H]1CCNC12CCC2 ZINC000629384984 361032655 /nfs/dbraw/zinc/03/26/55/361032655.db2.gz KSMULTHXVSTNMI-KGLIPLIRSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@H](CCC)N[C@@H]1CC[NH2+]C12CCC2 ZINC000629384985 361032726 /nfs/dbraw/zinc/03/27/26/361032726.db2.gz KSMULTHXVSTNMI-UONOGXRCSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCNC12CCC2 ZINC000629384985 361032727 /nfs/dbraw/zinc/03/27/27/361032727.db2.gz KSMULTHXVSTNMI-UONOGXRCSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CC(C)(C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000629509686 361103856 /nfs/dbraw/zinc/10/38/56/361103856.db2.gz HLVRHTXBQDBJRW-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H](CC)[C@@H]1CCCN1 ZINC000629509686 361103857 /nfs/dbraw/zinc/10/38/57/361103857.db2.gz HLVRHTXBQDBJRW-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629510415 361108988 /nfs/dbraw/zinc/10/89/88/361108988.db2.gz SYTQFNICKROVPN-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539476 361406615 /nfs/dbraw/zinc/40/66/15/361406615.db2.gz MIIHJNYXKOMIHL-HZSPNIEDSA-N 1 3 224.392 2.851 20 30 BFEDHO C[C@H](NCCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706036 367140414 /nfs/dbraw/zinc/14/04/14/367140414.db2.gz QNWNALLZGMATJI-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H](NCCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706036 367140421 /nfs/dbraw/zinc/14/04/21/367140421.db2.gz QNWNALLZGMATJI-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H]([NH2+]CCCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185706036 367140426 /nfs/dbraw/zinc/14/04/26/367140426.db2.gz QNWNALLZGMATJI-KBPBESRZSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000581736724 367799997 /nfs/dbraw/zinc/79/99/97/367799997.db2.gz GKVFPCZOIJYXQZ-UONOGXRCSA-N 1 3 224.392 2.840 20 30 BFEDHO C=C(CC)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000313503649 384435312 /nfs/dbraw/zinc/43/53/12/384435312.db2.gz LZQLTFXDXIPIFS-RRFJBIMHSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423372856 384847871 /nfs/dbraw/zinc/84/78/71/384847871.db2.gz HIBZNCGQLAAKJN-MELADBBJSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000423385979 384853725 /nfs/dbraw/zinc/85/37/25/384853725.db2.gz LPLVHKOGCNDICH-MJBXVCDLSA-N 1 3 222.376 2.591 20 30 BFEDHO C=CCC[C@H](CC)[NH2+]C[C@@H](C)CN(C)C ZINC000309045149 385389688 /nfs/dbraw/zinc/38/96/88/385389688.db2.gz NZHFHUNJHYVWLJ-OLZOCXBDSA-N 1 3 212.381 2.519 20 30 BFEDHO C=CCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000581707429 385706950 /nfs/dbraw/zinc/70/69/50/385706950.db2.gz AVLCWOMVOXLKHT-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000581707429 385706952 /nfs/dbraw/zinc/70/69/52/385706952.db2.gz AVLCWOMVOXLKHT-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000581707429 385706958 /nfs/dbraw/zinc/70/69/58/385706958.db2.gz AVLCWOMVOXLKHT-CQSZACIVSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCC[C@@H](C)NC[C@@H]1CCCC[NH2+]1 ZINC000643502577 387365304 /nfs/dbraw/zinc/36/53/04/387365304.db2.gz KNNJBLUEXSJEIC-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCC[C@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC000423557652 387375474 /nfs/dbraw/zinc/37/54/74/387375474.db2.gz NLDNGZFCTHTWJD-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000643478027 387801084 /nfs/dbraw/zinc/80/10/84/387801084.db2.gz OOSWGEZYIBFHFY-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO CCCC[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781155 387839392 /nfs/dbraw/zinc/83/93/92/387839392.db2.gz HVQYZJPLVHSCPE-DZGCQCFKSA-N 1 3 249.402 2.533 20 30 BFEDHO CCCC[NH+]1CCC(N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781158 387839439 /nfs/dbraw/zinc/83/94/39/387839439.db2.gz HVQYZJPLVHSCPE-HIFRSBDPSA-N 1 3 249.402 2.533 20 30 BFEDHO CCCC[NH+]1CCC(N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781162 387840014 /nfs/dbraw/zinc/84/00/14/387840014.db2.gz HVQYZJPLVHSCPE-ZFWWWQNUSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423129813 387906964 /nfs/dbraw/zinc/90/69/64/387906964.db2.gz FPRQIFQZOHXOHP-STQMWFEESA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423216666 387999545 /nfs/dbraw/zinc/99/95/45/387999545.db2.gz SHPXVJOFZCGANP-ZIAGYGMSSA-N 1 3 224.392 2.711 20 30 BFEDHO N#C[C@@H]1CCC[C@H](N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000423259477 388038465 /nfs/dbraw/zinc/03/84/65/388038465.db2.gz DVTRJRRRQVCUSY-SNPRPXQTSA-N 1 3 249.402 2.566 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000228825030 388774360 /nfs/dbraw/zinc/77/43/60/388774360.db2.gz CXPMFIJUJOEGIW-KGLIPLIRSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000370676414 134226724 /nfs/dbraw/zinc/22/67/24/134226724.db2.gz KMYHTZJHEHCOTQ-ZNMIVQPWSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCCCCCN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000340702277 135227482 /nfs/dbraw/zinc/22/74/82/135227482.db2.gz YLMMOMIBVPOISE-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCN(C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000647884922 397925991 /nfs/dbraw/zinc/92/59/91/397925991.db2.gz LBWHHIKAZIMHAV-HNNXBMFYSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000651967541 409806823 /nfs/dbraw/zinc/80/68/23/409806823.db2.gz JUTVVGDAYVSNBI-MJBXVCDLSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657584153 411554964 /nfs/dbraw/zinc/55/49/64/411554964.db2.gz ZKUPKNQDETXJIT-UHFFFAOYSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562533357 323023217 /nfs/dbraw/zinc/02/32/17/323023217.db2.gz NLPVXFCGKDLHHH-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000562533357 323023218 /nfs/dbraw/zinc/02/32/18/323023218.db2.gz NLPVXFCGKDLHHH-OAHLLOKOSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000570827307 323071935 /nfs/dbraw/zinc/07/19/35/323071935.db2.gz QAWNNJMIVDRVFN-QWHCGFSZSA-N 1 3 210.365 2.592 20 30 BFEDHO CCC#C[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000677133162 487980224 /nfs/dbraw/zinc/98/02/24/487980224.db2.gz KPKIVWKOXVCPAN-OAHLLOKOSA-N 1 3 248.414 2.596 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000341448804 534358884 /nfs/dbraw/zinc/35/88/84/534358884.db2.gz DHBNFECZOGVAMM-ZQDZILKHSA-N 1 3 236.403 2.804 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358615500 534374064 /nfs/dbraw/zinc/37/40/64/534374064.db2.gz NQSOAMPGLBUVNT-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=C(CC)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000358615500 534374074 /nfs/dbraw/zinc/37/40/74/534374074.db2.gz NQSOAMPGLBUVNT-KGLIPLIRSA-N 1 3 224.392 2.615 20 30 BFEDHO C=C(CC)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000358627950 534382395 /nfs/dbraw/zinc/38/23/95/534382395.db2.gz YBMLHLIHQWHEIW-UHFFFAOYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=C(C)CN(CC)CC#CC[N@H+](CC)CC(=C)C ZINC000472757653 526547481 /nfs/dbraw/zinc/54/74/81/526547481.db2.gz XSMQHIHCZNYISV-UHFFFAOYSA-N 1 3 248.414 2.786 20 30 BFEDHO C=C(C)CN(CC)CC#CC[N@@H+](CC)CC(=C)C ZINC000472757653 526547485 /nfs/dbraw/zinc/54/74/85/526547485.db2.gz XSMQHIHCZNYISV-UHFFFAOYSA-N 1 3 248.414 2.786 20 30 BFEDHO C=CC[C@@H](CC)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902381727 584576755 /nfs/dbraw/zinc/57/67/55/584576755.db2.gz FSIPTHQVNQJEPU-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO C[C@H]1CN(CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903716544 584791787 /nfs/dbraw/zinc/79/17/87/584791787.db2.gz OSSLPZTYKPOBQZ-KBPBESRZSA-N 1 3 249.402 2.520 20 30 BFEDHO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCCCNC2)C1 ZINC000903764811 584797151 /nfs/dbraw/zinc/79/71/51/584797151.db2.gz BNJGRCZFTBHKMJ-HUUCEWRRSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCCNC2)C1 ZINC000903764811 584797152 /nfs/dbraw/zinc/79/71/52/584797152.db2.gz BNJGRCZFTBHKMJ-HUUCEWRRSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CCCCCC[C@@H](C)N[C@@H]1CCC[NH2+]C1 ZINC000817941492 586845418 /nfs/dbraw/zinc/84/54/18/586845418.db2.gz QXLHSEVLWGQNRG-ZIAGYGMSSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000817962464 586852433 /nfs/dbraw/zinc/85/24/33/586852433.db2.gz MRXGQULHCOZDPR-QWHCGFSZSA-N 1 3 212.381 2.696 20 30 BFEDHO C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC000817962465 586852506 /nfs/dbraw/zinc/85/25/06/586852506.db2.gz MRXGQULHCOZDPR-STQMWFEESA-N 1 3 212.381 2.696 20 30 BFEDHO C#CC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000829811237 587518914 /nfs/dbraw/zinc/51/89/14/587518914.db2.gz ZVZYWAAZNSVKDB-INIZCTEOSA-N 1 3 248.414 2.598 20 30 BFEDHO CCCCCCCC[N@@H+]1CCC[C@H](N)C1 ZINC000108665160 588480513 /nfs/dbraw/zinc/48/05/13/588480513.db2.gz KCRHZQWJDUYANO-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCCC[N@H+]1CCC[C@H](N)C1 ZINC000108665160 588480514 /nfs/dbraw/zinc/48/05/14/588480514.db2.gz KCRHZQWJDUYANO-ZDUSSCGKSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000863539465 589296687 /nfs/dbraw/zinc/29/66/87/589296687.db2.gz CNHKCWCEWXGZIS-VXGBXAGGSA-N 1 3 200.370 2.672 20 30 BFEDHO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C ZINC000863546820 589298077 /nfs/dbraw/zinc/29/80/77/589298077.db2.gz MUCLNFMEBRDVDT-HZSPNIEDSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000873279463 590017741 /nfs/dbraw/zinc/01/77/41/590017741.db2.gz IUNCUQOBWSBXSK-NEPJUHHUSA-N 1 3 212.381 2.694 20 30 BFEDHO C#CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000876764068 590239906 /nfs/dbraw/zinc/23/99/06/590239906.db2.gz NNXUMPXEGZEMQR-CVEARBPZSA-N 1 3 248.414 2.739 20 30 BFEDHO C#CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000876764068 590239907 /nfs/dbraw/zinc/23/99/07/590239907.db2.gz NNXUMPXEGZEMQR-CVEARBPZSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CC[C@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000878149351 590506070 /nfs/dbraw/zinc/50/60/70/590506070.db2.gz WHNVUELNVTWUSW-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000878149351 590506072 /nfs/dbraw/zinc/50/60/72/590506072.db2.gz WHNVUELNVTWUSW-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000878149351 590506074 /nfs/dbraw/zinc/50/60/74/590506074.db2.gz WHNVUELNVTWUSW-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C#CCCCCCN(C)CCC[NH+]1CCCC1 ZINC000878550331 590590525 /nfs/dbraw/zinc/59/05/25/590590525.db2.gz SRBWPAAPTZXIGZ-UHFFFAOYSA-N 1 3 236.403 2.598 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259050 590979221 /nfs/dbraw/zinc/97/92/21/590979221.db2.gz LHWLOONZIZRNOS-UONOGXRCSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259050 590979222 /nfs/dbraw/zinc/97/92/22/590979222.db2.gz LHWLOONZIZRNOS-UONOGXRCSA-N 1 3 245.370 2.557 20 30 BFEDHO C=C(CC)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261866 590980816 /nfs/dbraw/zinc/98/08/16/590980816.db2.gz ZCBYMWSKOKONFM-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(C)CC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887134943 592448714 /nfs/dbraw/zinc/44/87/14/592448714.db2.gz SUROYJWFEONIHZ-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(C)CC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887134943 592448717 /nfs/dbraw/zinc/44/87/17/592448717.db2.gz SUROYJWFEONIHZ-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887136025 592451389 /nfs/dbraw/zinc/45/13/89/592451389.db2.gz GQYGIZQOTGMQJT-ZIAGYGMSSA-N 1 3 245.370 2.557 20 30 BFEDHO C=CC[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887136025 592451391 /nfs/dbraw/zinc/45/13/91/592451391.db2.gz GQYGIZQOTGMQJT-ZIAGYGMSSA-N 1 3 245.370 2.557 20 30 BFEDHO CCCCCCC[C@@H](CC)NCC[NH2+]C ZINC001246071823 987360045 /nfs/dbraw/zinc/36/00/45/987360045.db2.gz BAUZCLFVYYHANE-CYBMUJFWSA-N 1 3 214.397 2.935 20 30 BFEDHO C=CCCCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000309182938 631922778 /nfs/dbraw/zinc/92/27/78/631922778.db2.gz GBXMKRKNRRXLBN-ZIAGYGMSSA-N 1 3 224.392 2.840 20 30 BFEDHO C=C(CC)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693839 634332641 /nfs/dbraw/zinc/33/26/41/634332641.db2.gz SGNZXBDTYGZSKN-HUUCEWRRSA-N 1 3 236.403 2.711 20 30 BFEDHO C=C(CC)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925693839 634332654 /nfs/dbraw/zinc/33/26/54/634332654.db2.gz SGNZXBDTYGZSKN-HUUCEWRRSA-N 1 3 236.403 2.711 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000232951822 642637681 /nfs/dbraw/zinc/63/76/81/642637681.db2.gz LSLVCRKYEWIGES-ZDUSSCGKSA-N 1 3 212.381 2.628 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000232951822 642637685 /nfs/dbraw/zinc/63/76/85/642637685.db2.gz LSLVCRKYEWIGES-ZDUSSCGKSA-N 1 3 212.381 2.628 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925724624 646450762 /nfs/dbraw/zinc/45/07/62/646450762.db2.gz LHQHOJIIMSWJGB-CYBMUJFWSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@H](C1CC1)[NH+]1CCC(N)(CC)CC1 ZINC000925755591 646464645 /nfs/dbraw/zinc/46/46/45/646464645.db2.gz GOSYVFANAKJQHR-CQSZACIVSA-N 1 3 236.403 2.935 20 30 BFEDHO CCCCCCC[NH2+][C@H]1CCNCC1(C)C ZINC000703727426 712085876 /nfs/dbraw/zinc/08/58/76/712085876.db2.gz MZIXFHBEAXCKKI-ZDUSSCGKSA-N 1 3 226.408 2.935 20 30 BFEDHO C#CCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171613232 974112454 /nfs/dbraw/zinc/11/24/54/974112454.db2.gz HYVXYQYIZACYFO-UHFFFAOYSA-N 1 3 236.403 2.641 20 30 BFEDHO C#CC(C)(C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171613988 974115984 /nfs/dbraw/zinc/11/59/84/974115984.db2.gz SNTZAYTUEYBYLX-UHFFFAOYSA-N 1 3 236.403 2.639 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+](C)C[C@H](C)CN)C[C@H](C1)C2 ZINC001257887533 971517501 /nfs/dbraw/zinc/51/75/01/971517501.db2.gz CNVWJLWIJIPSBS-JKXDFHQYSA-N 1 3 236.403 2.648 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+](C)C[C@H](C)CN)C[C@H](C1)C2 ZINC001257887533 971517507 /nfs/dbraw/zinc/51/75/07/971517507.db2.gz CNVWJLWIJIPSBS-JKXDFHQYSA-N 1 3 236.403 2.648 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNCC[C@@H]2C)CC1 ZINC001205325127 967540253 /nfs/dbraw/zinc/54/02/53/967540253.db2.gz JOPVAFCLTSOJFF-GOEBONIOSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNCC[C@@H]2C)CC1 ZINC001205325127 967540285 /nfs/dbraw/zinc/54/02/85/967540285.db2.gz JOPVAFCLTSOJFF-GOEBONIOSA-N 1 3 248.414 2.973 20 30 BFEDHO C=CCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209207947 969396052 /nfs/dbraw/zinc/39/60/52/969396052.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209207947 969396059 /nfs/dbraw/zinc/39/60/59/969396059.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001209207947 969396066 /nfs/dbraw/zinc/39/60/66/969396066.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001209207947 969396071 /nfs/dbraw/zinc/39/60/71/969396071.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 1 3 236.403 2.616 20 30 BFEDHO C#CC(CC)(CC)[NH2+][C@@H](C)CCN(CC)CC ZINC001255939893 970573550 /nfs/dbraw/zinc/57/35/50/970573550.db2.gz LIIYCBWTFYSGJA-AWEZNQCLSA-N 1 3 238.419 2.888 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4NCC[C@H]43)C[C@H](C1)C2 ZINC001246640363 973059176 /nfs/dbraw/zinc/05/91/76/973059176.db2.gz SXZIFYJYTXBZJD-GZNJTBKBSA-N 1 3 246.398 2.558 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4NCC[C@H]43)C[C@H](C1)C2 ZINC001246640363 973059188 /nfs/dbraw/zinc/05/91/88/973059188.db2.gz SXZIFYJYTXBZJD-GZNJTBKBSA-N 1 3 246.398 2.558 20 30 BFEDHO C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172489300 974834508 /nfs/dbraw/zinc/83/45/08/974834508.db2.gz QAHQWLYXANTIRD-MGPQQGTHSA-N 1 3 237.391 2.531 20 30 BFEDHO C=CCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994539 978945673 /nfs/dbraw/zinc/94/56/73/978945673.db2.gz ULXBVECKGWFERT-OAHLLOKOSA-N 1 3 236.403 2.808 20 30 BFEDHO C=CCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030938 978954437 /nfs/dbraw/zinc/95/44/37/978954437.db2.gz IYSLMOUOURWYBV-OAHLLOKOSA-N 1 3 236.403 2.808 20 30 BFEDHO C=CCCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235167207 978987465 /nfs/dbraw/zinc/98/74/65/978987465.db2.gz YCRXTMRLBSXITK-UONOGXRCSA-N 1 3 222.376 2.546 20 30 BFEDHO C=CCCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235167207 978987473 /nfs/dbraw/zinc/98/74/73/978987473.db2.gz YCRXTMRLBSXITK-UONOGXRCSA-N 1 3 222.376 2.546 20 30 BFEDHO C=CCCCCCCN1CCC[C@@H]1C[NH3+] ZINC001236242875 979462382 /nfs/dbraw/zinc/46/23/82/979462382.db2.gz LANUVIMGKBBJTN-CYBMUJFWSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246611460 988236254 /nfs/dbraw/zinc/23/62/54/988236254.db2.gz TZTLVACDAJPUHC-KGLIPLIRSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246611460 988236271 /nfs/dbraw/zinc/23/62/71/988236271.db2.gz TZTLVACDAJPUHC-KGLIPLIRSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001246650968 988379162 /nfs/dbraw/zinc/37/91/62/988379162.db2.gz KXUBVABXVJNRSF-HUUCEWRRSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCCC[C@]12CCCNC2 ZINC001246650968 988379174 /nfs/dbraw/zinc/37/91/74/988379174.db2.gz KXUBVABXVJNRSF-HUUCEWRRSA-N 1 3 236.403 2.949 20 30 BFEDHO C=CCC[C@@H](C)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246650968 988379185 /nfs/dbraw/zinc/37/91/85/988379185.db2.gz KXUBVABXVJNRSF-HUUCEWRRSA-N 1 3 236.403 2.949 20 30 BFEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@H]3CCN)C[C@H](C1)C2 ZINC001246849227 988561210 /nfs/dbraw/zinc/56/12/10/988561210.db2.gz YXTLXJZVYKQNBK-QGPPMGRFSA-N 1 3 248.414 2.935 20 30 BFEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3CCN)C[C@H](C1)C2 ZINC001246849227 988561213 /nfs/dbraw/zinc/56/12/13/988561213.db2.gz YXTLXJZVYKQNBK-QGPPMGRFSA-N 1 3 248.414 2.935 20 30 BFEDHO CCCCCCC[C@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946682 988779052 /nfs/dbraw/zinc/77/90/52/988779052.db2.gz HHKYJSWSKJDACZ-BYNSBNAKSA-N 1 3 238.419 2.885 20 30 BFEDHO C=CC[N@@H+]([C@@H](C)CCNC)C1CCCCC1 ZINC001246944273 988780100 /nfs/dbraw/zinc/78/01/00/988780100.db2.gz BTSBPZQUMQFYJW-ZDUSSCGKSA-N 1 3 224.392 2.805 20 30 BFEDHO C=CC[N@H+]([C@@H](C)CCNC)C1CCCCC1 ZINC001246944273 988780108 /nfs/dbraw/zinc/78/01/08/988780108.db2.gz BTSBPZQUMQFYJW-ZDUSSCGKSA-N 1 3 224.392 2.805 20 30 BFEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@H](C)C1 ZINC001246948498 988786296 /nfs/dbraw/zinc/78/62/96/988786296.db2.gz KKIPNBNIHMXCCE-UKRRQHHQSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](C)C1 ZINC001246948498 988786306 /nfs/dbraw/zinc/78/63/06/988786306.db2.gz KKIPNBNIHMXCCE-UKRRQHHQSA-N 1 3 236.403 2.948 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733235 344113260 /nfs/dbraw/zinc/11/32/60/344113260.db2.gz ANDZBFZPDMYVLO-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005804 345210138 /nfs/dbraw/zinc/21/01/38/345210138.db2.gz KDABESOVUUDKOH-ZBFHGGJFSA-N 1 3 246.398 2.891 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635013504 345218439 /nfs/dbraw/zinc/21/84/39/345218439.db2.gz YSAYYQZJOANZHH-IHRRRGAJSA-N 1 3 238.419 2.955 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000635020120 345222708 /nfs/dbraw/zinc/22/27/08/345222708.db2.gz JUGBGSARHMSWFC-OLZOCXBDSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000635020153 345223224 /nfs/dbraw/zinc/22/32/24/345223224.db2.gz KLSPAKJNRUGMDI-STQMWFEESA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]C[C@@H](C)CN(C)C ZINC000381574904 346377237 /nfs/dbraw/zinc/37/72/37/346377237.db2.gz ZJSONCUSNNVOBR-KGLIPLIRSA-N 1 3 226.408 2.909 20 30 BFEDHO C=C(C)C[N@@H+](CC)CCCN(CC)CC ZINC000191408085 347351755 /nfs/dbraw/zinc/35/17/55/347351755.db2.gz UCFXJZJBBNSOPZ-UHFFFAOYSA-N 1 3 212.381 2.616 20 30 BFEDHO C=C(C)C[N@H+](CC)CCCN(CC)CC ZINC000191408085 347351757 /nfs/dbraw/zinc/35/17/57/347351757.db2.gz UCFXJZJBBNSOPZ-UHFFFAOYSA-N 1 3 212.381 2.616 20 30 BFEDHO C=CCCSCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000596649663 348605013 /nfs/dbraw/zinc/60/50/13/348605013.db2.gz DNYJQPYAQDPZFY-OLZOCXBDSA-N 1 3 242.432 2.545 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000352028581 134044459 /nfs/dbraw/zinc/04/44/59/134044459.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000352028581 134044460 /nfs/dbraw/zinc/04/44/60/134044460.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000352028581 134044461 /nfs/dbraw/zinc/04/44/61/134044461.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000126767340 358554667 /nfs/dbraw/zinc/55/46/67/358554667.db2.gz VVMWZLSEULBMBL-KGLIPLIRSA-N 1 3 224.392 2.663 20 30 BFEDHO CC[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@@H]1CC ZINC000574658153 365116802 /nfs/dbraw/zinc/11/68/02/365116802.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 1 3 248.414 2.739 20 30 BFEDHO CC[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@@H]1CC ZINC000574658153 365116805 /nfs/dbraw/zinc/11/68/05/365116805.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 1 3 248.414 2.739 20 30 BFEDHO CC[C@@H]1CCC[N@H+]1CC#CCN1CCC[C@@H]1CC ZINC000574658153 365116813 /nfs/dbraw/zinc/11/68/13/365116813.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 1 3 248.414 2.739 20 30 BFEDHO CC[C@@H]1CCC[N@@H+]1CC#CCN1CCC[C@@H]1CC ZINC000574658153 365116825 /nfs/dbraw/zinc/11/68/25/365116825.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 1 3 248.414 2.739 20 30 BFEDHO C[C@@H](NCCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706012 367140896 /nfs/dbraw/zinc/14/08/96/367140896.db2.gz QNWNALLZGMATJI-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H](NCCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706012 367140900 /nfs/dbraw/zinc/14/09/00/367140900.db2.gz QNWNALLZGMATJI-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]([NH2+]CCCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185706012 367140902 /nfs/dbraw/zinc/14/09/02/367140902.db2.gz QNWNALLZGMATJI-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000566778548 326081959 /nfs/dbraw/zinc/08/19/59/326081959.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000566778548 326081962 /nfs/dbraw/zinc/08/19/62/326081962.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000566778548 326081964 /nfs/dbraw/zinc/08/19/64/326081964.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546197 384018899 /nfs/dbraw/zinc/01/88/99/384018899.db2.gz KDHMGUFHNFMBPU-MJBXVCDLSA-N 1 3 236.403 2.851 20 30 BFEDHO C=C(CC)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000313503647 384433962 /nfs/dbraw/zinc/43/39/62/384433962.db2.gz LZQLTFXDXIPIFS-RBSFLKMASA-N 1 3 236.403 2.853 20 30 BFEDHO N#C[C@H]1CCC[C@H]([NH2+]CC2(N)CCCCCC2)C1 ZINC000335059663 385960216 /nfs/dbraw/zinc/96/02/16/385960216.db2.gz MLWIYRZDLXWJDK-KBPBESRZSA-N 1 3 249.402 2.710 20 30 BFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192932739 386798865 /nfs/dbraw/zinc/79/88/65/386798865.db2.gz NBMBYIBWKYRVGL-LJISPDSOSA-N 1 3 249.402 2.531 20 30 BFEDHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192932739 386798872 /nfs/dbraw/zinc/79/88/72/386798872.db2.gz NBMBYIBWKYRVGL-LJISPDSOSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCC[C@H](NCC1=CC[NH2+]CC1)c1ccco1 ZINC000423343628 387193681 /nfs/dbraw/zinc/19/36/81/387193681.db2.gz MCWCQAGHDIEJLP-AWEZNQCLSA-N 1 3 246.354 2.796 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423334637 387181246 /nfs/dbraw/zinc/18/12/46/387181246.db2.gz QXCKRICUTFSXRU-KGLIPLIRSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423373646 387230559 /nfs/dbraw/zinc/23/05/59/387230559.db2.gz HXHXLRRWEJSBBB-GFCCVEGCSA-N 1 3 230.355 2.734 20 30 BFEDHO C=CCCCC[C@@H](C)NC[C@@H](C)[NH2+]CC ZINC000423377755 387258897 /nfs/dbraw/zinc/25/88/97/387258897.db2.gz FGXLKAAOXFXCMU-CHWSQXEVSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423386756 387270279 /nfs/dbraw/zinc/27/02/79/387270279.db2.gz RPUZMNCOCKRBHV-MELADBBJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CCCCC[C@H](C)NC[C@@H]1CCCC[NH2+]1 ZINC000643502576 387366282 /nfs/dbraw/zinc/36/62/82/387366282.db2.gz KNNJBLUEXSJEIC-KBPBESRZSA-N 1 3 224.392 2.853 20 30 BFEDHO C=C[C@H](C)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422993666 387803335 /nfs/dbraw/zinc/80/33/35/387803335.db2.gz TVKNAJJULJLJAD-NWANDNLSSA-N 1 3 230.355 2.644 20 30 BFEDHO C[NH+](C)C1(CN[C@@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000442632639 387810719 /nfs/dbraw/zinc/81/07/19/387810719.db2.gz FJUOAHIRKBREKZ-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCC1 ZINC000423154899 387934679 /nfs/dbraw/zinc/93/46/79/387934679.db2.gz KHIPFIYYEOYZBK-KGLIPLIRSA-N 1 3 236.403 2.840 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423216665 388000755 /nfs/dbraw/zinc/00/07/55/388000755.db2.gz SHPXVJOFZCGANP-UONOGXRCSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423267997 388047771 /nfs/dbraw/zinc/04/77/71/388047771.db2.gz DDJLXSNZGWGJMG-IHRRRGAJSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423270524 388049689 /nfs/dbraw/zinc/04/96/89/388049689.db2.gz GNEZNAPVBOSDAY-XUXIUFHCSA-N 1 3 224.392 2.694 20 30 BFEDHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(C#N)cc1 ZINC000423279833 388690068 /nfs/dbraw/zinc/69/00/68/388690068.db2.gz SPUQQSXJEBXGQH-HUUCEWRRSA-N 1 3 245.370 2.582 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000352028581 134044458 /nfs/dbraw/zinc/04/44/58/134044458.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000340764813 135228863 /nfs/dbraw/zinc/22/88/63/135228863.db2.gz VZWZZIOYMYNOIZ-ZDUSSCGKSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCC[C@@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414923824 398100316 /nfs/dbraw/zinc/10/03/16/398100316.db2.gz GDVODNOREOSHKR-CHWSQXEVSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000651748686 411141166 /nfs/dbraw/zinc/14/11/66/411141166.db2.gz UNVYQLTWLSXIMX-HIFRSBDPSA-N 1 3 234.387 2.583 20 30 BFEDHO C=CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563373 411203660 /nfs/dbraw/zinc/20/36/60/411203660.db2.gz ORRIJBCVJPLVAO-UHFFFAOYSA-N 1 3 236.403 2.760 20 30 BFEDHO C=CC[N@@H+](CCCN(CC)CC)C(C)C ZINC000754987758 585292874 /nfs/dbraw/zinc/29/28/74/585292874.db2.gz ARCPIXSLLQUZHC-UHFFFAOYSA-N 1 3 212.381 2.615 20 30 BFEDHO C=CC[N@H+](CCCN(CC)CC)C(C)C ZINC000754987758 585292875 /nfs/dbraw/zinc/29/28/75/585292875.db2.gz ARCPIXSLLQUZHC-UHFFFAOYSA-N 1 3 212.381 2.615 20 30 BFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995220 487925095 /nfs/dbraw/zinc/92/50/95/487925095.db2.gz GPCJIGCJWAYIPV-CHWSQXEVSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CCCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000570827300 323071933 /nfs/dbraw/zinc/07/19/33/323071933.db2.gz QAWNNJMIVDRVFN-CHWSQXEVSA-N 1 3 210.365 2.592 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000530209407 323209871 /nfs/dbraw/zinc/20/98/71/323209871.db2.gz HGLBGFLRUAKVEK-OLZOCXBDSA-N 1 3 224.392 2.696 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000566778548 326081957 /nfs/dbraw/zinc/08/19/57/326081957.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(CC)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000358515234 534371029 /nfs/dbraw/zinc/37/10/29/534371029.db2.gz XLZGOUUIGNZJSR-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C(CC)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000358515234 534371037 /nfs/dbraw/zinc/37/10/37/534371037.db2.gz XLZGOUUIGNZJSR-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081516779 534720905 /nfs/dbraw/zinc/72/09/05/534720905.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081516779 534720908 /nfs/dbraw/zinc/72/09/08/534720908.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000081516779 534720916 /nfs/dbraw/zinc/72/09/16/534720916.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000081516779 534720920 /nfs/dbraw/zinc/72/09/20/534720920.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CN(C)[C@H](C)CC[N@H+](C)CC(=C)C ZINC000351093043 538700462 /nfs/dbraw/zinc/70/04/62/538700462.db2.gz AKEYKYQMXNKLRB-CQSZACIVSA-N 1 3 224.392 2.781 20 30 BFEDHO C=C(C)CN(C)[C@H](C)CC[N@@H+](C)CC(=C)C ZINC000351093043 538700465 /nfs/dbraw/zinc/70/04/65/538700465.db2.gz AKEYKYQMXNKLRB-CQSZACIVSA-N 1 3 224.392 2.781 20 30 BFEDHO C#CCCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000878511243 583378198 /nfs/dbraw/zinc/37/81/98/583378198.db2.gz BTYIENKHYWTVBJ-HNNXBMFYSA-N 1 3 236.403 2.596 20 30 BFEDHO C#CCCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000878511243 583378202 /nfs/dbraw/zinc/37/82/02/583378202.db2.gz BTYIENKHYWTVBJ-HNNXBMFYSA-N 1 3 236.403 2.596 20 30 BFEDHO C#CCCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000878511243 583378205 /nfs/dbraw/zinc/37/82/05/583378205.db2.gz BTYIENKHYWTVBJ-HNNXBMFYSA-N 1 3 236.403 2.596 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895291905 583637885 /nfs/dbraw/zinc/63/78/85/583637885.db2.gz JPPTYZUJVSJTMF-MCIONIFRSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895291904 583637922 /nfs/dbraw/zinc/63/79/22/583637922.db2.gz JPPTYZUJVSJTMF-BFHYXJOUSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902381729 584576802 /nfs/dbraw/zinc/57/68/02/584576802.db2.gz FSIPTHQVNQJEPU-QWHCGFSZSA-N 1 3 224.392 2.709 20 30 BFEDHO N#CC1CCC(C[N@H+]2CCCC[C@H]2CCN)CC1 ZINC000903451824 584771921 /nfs/dbraw/zinc/77/19/21/584771921.db2.gz DYDBUKAVFKVESF-NRXISQOPSA-N 1 3 249.402 2.520 20 30 BFEDHO N#CC1CCC(C[N@@H+]2CCCC[C@H]2CCN)CC1 ZINC000903451824 584771922 /nfs/dbraw/zinc/77/19/22/584771922.db2.gz DYDBUKAVFKVESF-NRXISQOPSA-N 1 3 249.402 2.520 20 30 BFEDHO N#CC1(CCCCN2CCC[C@H](C[NH3+])C2)CCC1 ZINC000903713656 584793472 /nfs/dbraw/zinc/79/34/72/584793472.db2.gz YWFVEIUODPCMKF-CQSZACIVSA-N 1 3 249.402 2.521 20 30 BFEDHO C=CCN(Cc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312096 584863062 /nfs/dbraw/zinc/86/30/62/584863062.db2.gz GGRWLWVVNFAAEF-XBXGTLAGSA-N 1 3 248.345 2.551 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H](C)C[C@H](C)N ZINC000873279464 590017320 /nfs/dbraw/zinc/01/73/20/590017320.db2.gz IUNCUQOBWSBXSK-NWDGAFQWSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@H](C)N ZINC000873279465 590017463 /nfs/dbraw/zinc/01/74/63/590017463.db2.gz IUNCUQOBWSBXSK-RYUDHWBXSA-N 1 3 212.381 2.694 20 30 BFEDHO C#CCCCCCC[NH2+]C[C@@H]1CCN(CC)C1 ZINC000876943296 590259345 /nfs/dbraw/zinc/25/93/45/590259345.db2.gz OZCLZHMZQAGFSV-HNNXBMFYSA-N 1 3 236.403 2.502 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000878132831 590503563 /nfs/dbraw/zinc/50/35/63/590503563.db2.gz CLGGHGJGWQYDPJ-LSDHHAIUSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000878132831 590503564 /nfs/dbraw/zinc/50/35/64/590503564.db2.gz CLGGHGJGWQYDPJ-LSDHHAIUSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878132831 590503565 /nfs/dbraw/zinc/50/35/65/590503565.db2.gz CLGGHGJGWQYDPJ-LSDHHAIUSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CC[C@H](C)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000886719601 592310079 /nfs/dbraw/zinc/31/00/79/592310079.db2.gz AMWSZLKUUPYQHR-AWEZNQCLSA-N 1 3 236.403 2.901 20 30 BFEDHO C=C(C)CC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886716322 592310342 /nfs/dbraw/zinc/31/03/42/592310342.db2.gz VUOFKDYPOILIBN-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=C(C)CCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716322 592310346 /nfs/dbraw/zinc/31/03/46/592310346.db2.gz VUOFKDYPOILIBN-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=CCCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887133267 592448885 /nfs/dbraw/zinc/44/88/85/592448885.db2.gz XUGQZHMQYPRCEK-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887133267 592448890 /nfs/dbraw/zinc/44/88/90/592448890.db2.gz XUGQZHMQYPRCEK-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133267 592448896 /nfs/dbraw/zinc/44/88/96/592448896.db2.gz XUGQZHMQYPRCEK-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925655814 634218358 /nfs/dbraw/zinc/21/83/58/634218358.db2.gz WPDNQHFZQFOJQJ-LSDHHAIUSA-N 1 3 236.403 2.711 20 30 BFEDHO CCCCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000703726124 712085936 /nfs/dbraw/zinc/08/59/36/712085936.db2.gz CYJKKPSKKWLXMC-OLZOCXBDSA-N 1 3 212.381 2.674 20 30 BFEDHO C=CCCCCCCCN1CCC[C@H]1C[NH3+] ZINC001235724157 979134575 /nfs/dbraw/zinc/13/45/75/979134575.db2.gz DPSFFBMVPYTWKZ-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO CCCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201798252 983474956 /nfs/dbraw/zinc/47/49/56/983474956.db2.gz SQINQSTVQVZEBV-HUUCEWRRSA-N 1 3 238.419 2.840 20 30 BFEDHO C=CCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237729 972422479 /nfs/dbraw/zinc/42/24/79/972422479.db2.gz RBZSCVCJLWZQFH-CQSZACIVSA-N 1 3 222.376 2.561 20 30 BFEDHO C=CCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237729 972422488 /nfs/dbraw/zinc/42/24/88/972422488.db2.gz RBZSCVCJLWZQFH-CQSZACIVSA-N 1 3 222.376 2.561 20 30 BFEDHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(C)(C)C#N ZINC000695841287 960504454 /nfs/dbraw/zinc/50/44/54/960504454.db2.gz GUODLCDRIOXEEA-ZDUSSCGKSA-N 1 3 239.407 2.635 20 30 BFEDHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(C)(C)C#N ZINC000695841287 960504473 /nfs/dbraw/zinc/50/44/73/960504473.db2.gz GUODLCDRIOXEEA-ZDUSSCGKSA-N 1 3 239.407 2.635 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205905268 967880917 /nfs/dbraw/zinc/88/09/17/967880917.db2.gz ZVWVVZMXKBOXTJ-KGLIPLIRSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205905268 967880919 /nfs/dbraw/zinc/88/09/19/967880919.db2.gz ZVWVVZMXKBOXTJ-KGLIPLIRSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209207107 969392575 /nfs/dbraw/zinc/39/25/75/969392575.db2.gz LXLPZBNWSHPZQA-UHFFFAOYSA-N 1 3 236.403 2.901 20 30 BFEDHO C=CCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001209207949 969397495 /nfs/dbraw/zinc/39/74/95/969397495.db2.gz IFQTXJNROGNLIM-HUUCEWRRSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209207949 969397505 /nfs/dbraw/zinc/39/75/05/969397505.db2.gz IFQTXJNROGNLIM-HUUCEWRRSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCCN1CCC([NH+]2CCC2)CC1 ZINC001209207927 969397660 /nfs/dbraw/zinc/39/76/60/969397660.db2.gz HZNMWLQMDBDHOV-UHFFFAOYSA-N 1 3 222.376 2.513 20 30 BFEDHO C=CCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001209207948 969399040 /nfs/dbraw/zinc/39/90/40/969399040.db2.gz IFQTXJNROGNLIM-GJZGRUSLSA-N 1 3 236.403 2.616 20 30 BFEDHO C=CCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209207948 969399050 /nfs/dbraw/zinc/39/90/50/969399050.db2.gz IFQTXJNROGNLIM-GJZGRUSLSA-N 1 3 236.403 2.616 20 30 BFEDHO CN1CCC[C@H]([N@H+](CCC#N)C2CCCC2)CC1 ZINC001254523978 969712765 /nfs/dbraw/zinc/71/27/65/969712765.db2.gz TUMOFEXTDSDIHR-HNNXBMFYSA-N 1 3 249.402 2.629 20 30 BFEDHO CN1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001254523978 969712767 /nfs/dbraw/zinc/71/27/67/969712767.db2.gz TUMOFEXTDSDIHR-HNNXBMFYSA-N 1 3 249.402 2.629 20 30 BFEDHO CCCCCCCCC[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283481 979016273 /nfs/dbraw/zinc/01/62/73/979016273.db2.gz PMQYHGCRACHVKK-BTTYYORXSA-N 1 3 224.392 2.626 20 30 BFEDHO CCCCCCCCC[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283481 979016280 /nfs/dbraw/zinc/01/62/80/979016280.db2.gz PMQYHGCRACHVKK-BTTYYORXSA-N 1 3 224.392 2.626 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235981541 979258936 /nfs/dbraw/zinc/25/89/36/979258936.db2.gz WRWYINDDCSWUTP-OWCLPIDISA-N 1 3 246.398 2.712 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235981541 979258944 /nfs/dbraw/zinc/25/89/44/979258944.db2.gz WRWYINDDCSWUTP-OWCLPIDISA-N 1 3 246.398 2.712 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCN[C@@H](C)C2)CC1 ZINC001236099068 979388452 /nfs/dbraw/zinc/38/84/52/979388452.db2.gz WSYVHGYJNQXNBH-GOEBONIOSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCN[C@@H](C)C2)CC1 ZINC001236099068 979388461 /nfs/dbraw/zinc/38/84/61/979388461.db2.gz WSYVHGYJNQXNBH-GOEBONIOSA-N 1 3 248.414 2.973 20 30 BFEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@](C)(C[NH3+])C2)CC1 ZINC001236603594 979675372 /nfs/dbraw/zinc/67/53/72/979675372.db2.gz AQJRUPDAFVTLPG-CVEARBPZSA-N 1 3 248.414 2.960 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+][C@H]1CCNC1 ZINC001246115412 987452803 /nfs/dbraw/zinc/45/28/03/987452803.db2.gz HNRGVKZSKZTJFN-STQMWFEESA-N 1 3 212.381 2.687 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1CCNC1 ZINC001246115388 987456719 /nfs/dbraw/zinc/45/67/19/987456719.db2.gz HNRGVKZSKZTJFN-OLZOCXBDSA-N 1 3 212.381 2.687 20 30 BFEDHO C=C1C[C@@H]2CC([NH2+]C3(C)CCNCC3)C[C@H](C1)C2 ZINC001246131388 987481882 /nfs/dbraw/zinc/48/18/82/987481882.db2.gz XGUJFPLVGRMWMD-YIONKMFJSA-N 1 3 248.414 2.853 20 30 BFEDHO C=C1C[C@@H]2CC(NCC[NH2+]CCC)C[C@H](C1)C2 ZINC001246269869 987664847 /nfs/dbraw/zinc/66/48/47/987664847.db2.gz MQKOTIHKGKIKPV-YIONKMFJSA-N 1 3 236.403 2.711 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246445893 987807177 /nfs/dbraw/zinc/80/71/77/987807177.db2.gz QNQCLOKUMMWLRB-CHWSQXEVSA-N 1 3 224.392 2.687 20 30 BFEDHO CCCCCCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246445893 987807180 /nfs/dbraw/zinc/80/71/80/987807180.db2.gz QNQCLOKUMMWLRB-CHWSQXEVSA-N 1 3 224.392 2.687 20 30 BFEDHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC001308987477 991255015 /nfs/dbraw/zinc/25/50/15/991255015.db2.gz OCKJMMLHNZMPEE-KBPBESRZSA-N 1 3 239.407 2.636 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001560623175 991523372 /nfs/dbraw/zinc/52/33/72/991523372.db2.gz QXERVOGKGJECJG-IBEHDNSVSA-N 1 3 248.414 2.661 20 30 BFEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC000226438527 398339756 /nfs/dbraw/zinc/33/97/56/398339756.db2.gz USZKUKGFACQHHC-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCCC[N@H+](C)C[C@H]1CCCNC1 ZINC000226438527 398339757 /nfs/dbraw/zinc/33/97/57/398339757.db2.gz USZKUKGFACQHHC-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=CCCCCCN(C)C[C@H]1CCC[NH2+]C1 ZINC000226438527 398339758 /nfs/dbraw/zinc/33/97/58/398339758.db2.gz USZKUKGFACQHHC-AWEZNQCLSA-N 1 3 224.392 2.664 20 30 BFEDHO C=C(C)CC[NH+]1CCC(N2CCCCC2)CC1 ZINC000351855837 136258473 /nfs/dbraw/zinc/25/84/73/136258473.db2.gz QLBRYJLCMKUWBP-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO CC1(C)CC(N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000335885684 136357795 /nfs/dbraw/zinc/35/77/95/136357795.db2.gz MZTXJANNCRHYTN-NWDGAFQWSA-N 1 3 249.402 2.577 20 30 BFEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733234 344113348 /nfs/dbraw/zinc/11/33/48/344113348.db2.gz ANDZBFZPDMYVLO-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000635024220 345224863 /nfs/dbraw/zinc/22/48/63/345224863.db2.gz UNRUWSZCHZXIJJ-NWDGAFQWSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000635016507 345221688 /nfs/dbraw/zinc/22/16/88/345221688.db2.gz CGEPWIYXSCRWMS-KGLIPLIRSA-N 1 3 238.419 2.957 20 30 BFEDHO CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000335147353 354861002 /nfs/dbraw/zinc/86/10/02/354861002.db2.gz TXOQOTVUUARCMD-FGZQJIAISA-N 1 3 249.402 2.566 20 30 BFEDHO CCC[NH+]1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000361441317 134205313 /nfs/dbraw/zinc/20/53/13/134205313.db2.gz UZOOFFLRDAONPL-DZGCQCFKSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCC[NH+]1CCC(CC)(N(C)C)CC1 ZINC000640017096 358080818 /nfs/dbraw/zinc/08/08/18/358080818.db2.gz CCMVNKNKXKVKNQ-UHFFFAOYSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000126765410 358554547 /nfs/dbraw/zinc/55/45/47/358554547.db2.gz CJOUAFWDJLAVJZ-BFHYXJOUSA-N 1 3 222.376 2.558 20 30 BFEDHO C=CCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336667956 365346860 /nfs/dbraw/zinc/34/68/60/365346860.db2.gz QPJAKJLOQDLXME-KBPBESRZSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336667956 365346864 /nfs/dbraw/zinc/34/68/64/365346864.db2.gz QPJAKJLOQDLXME-KBPBESRZSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000336667956 365346871 /nfs/dbraw/zinc/34/68/71/365346871.db2.gz QPJAKJLOQDLXME-KBPBESRZSA-N 1 3 222.376 2.559 20 30 BFEDHO C=CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172626013 365357083 /nfs/dbraw/zinc/35/70/83/365357083.db2.gz YUVXZPNHGDCLAW-AWEZNQCLSA-N 1 3 222.376 2.513 20 30 BFEDHO C=C(C)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000386645795 368006027 /nfs/dbraw/zinc/00/60/27/368006027.db2.gz AUHNCTFNSWQNMB-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=C(C)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000386645796 368006339 /nfs/dbraw/zinc/00/63/39/368006339.db2.gz AUHNCTFNSWQNMB-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO CCCN(CC#CC[N@H+](CCC)C1CC1)C1CC1 ZINC000341896176 169091010 /nfs/dbraw/zinc/09/10/10/169091010.db2.gz YBTKRNBMTUMPHL-UHFFFAOYSA-N 1 3 248.414 2.739 20 30 BFEDHO CCCN(CC#CC[N@@H+](CCC)C1CC1)C1CC1 ZINC000341896176 169091013 /nfs/dbraw/zinc/09/10/13/169091013.db2.gz YBTKRNBMTUMPHL-UHFFFAOYSA-N 1 3 248.414 2.739 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546196 384018414 /nfs/dbraw/zinc/01/84/14/384018414.db2.gz KDHMGUFHNFMBPU-MELADBBJSA-N 1 3 236.403 2.851 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545750 384015269 /nfs/dbraw/zinc/01/52/69/384015269.db2.gz BNQZNYNABMSECI-KBPBESRZSA-N 1 3 236.403 2.996 20 30 BFEDHO C=CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275653273 384406243 /nfs/dbraw/zinc/40/62/43/384406243.db2.gz FDTDOEVKIQJISQ-GDBMZVCRSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275653273 384406249 /nfs/dbraw/zinc/40/62/49/384406249.db2.gz FDTDOEVKIQJISQ-GDBMZVCRSA-N 1 3 244.382 2.815 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000336654406 385733520 /nfs/dbraw/zinc/73/35/20/385733520.db2.gz HFEJWEURHGBSGE-KGLIPLIRSA-N 1 3 236.403 2.805 20 30 BFEDHO C=CCC[C@@H](NCC1=CC[NH2+]CC1)c1ccco1 ZINC000423343631 387192341 /nfs/dbraw/zinc/19/23/41/387192341.db2.gz MCWCQAGHDIEJLP-CQSZACIVSA-N 1 3 246.354 2.796 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423408956 387246054 /nfs/dbraw/zinc/24/60/54/387246054.db2.gz YFQFKMMBOAWIFO-MELADBBJSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@@H](C)N[C@H]1CCCC[NH2+]C1 ZINC000423557651 387375571 /nfs/dbraw/zinc/37/55/71/387375571.db2.gz NLDNGZFCTHTWJD-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCNCC1 ZINC000643522224 387718357 /nfs/dbraw/zinc/71/83/57/387718357.db2.gz JXUIQNPXBDAKRO-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000643478026 387801425 /nfs/dbraw/zinc/80/14/25/387801425.db2.gz OOSWGEZYIBFHFY-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO C=C[C@H](C)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422993665 387802364 /nfs/dbraw/zinc/80/23/64/387802364.db2.gz TVKNAJJULJLJAD-CFVMTHIKSA-N 1 3 230.355 2.644 20 30 BFEDHO C[C@H](CCN[C@H]1CC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000442858284 387851062 /nfs/dbraw/zinc/85/10/62/387851062.db2.gz VBZPYSQPLLBNGX-ILXRZTDVSA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000442858284 387851065 /nfs/dbraw/zinc/85/10/65/387851065.db2.gz VBZPYSQPLLBNGX-ILXRZTDVSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCC1 ZINC000423154903 387933816 /nfs/dbraw/zinc/93/38/16/387933816.db2.gz KHIPFIYYEOYZBK-ZIAGYGMSSA-N 1 3 236.403 2.840 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCNC1 ZINC000423205266 387991009 /nfs/dbraw/zinc/99/10/09/387991009.db2.gz FCCHYIOHRFYDMC-KBPBESRZSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423208637 387993835 /nfs/dbraw/zinc/99/38/35/387993835.db2.gz DJDSGABHVNWAIV-FQUUOJAGSA-N 1 3 224.392 2.565 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423267996 388045166 /nfs/dbraw/zinc/04/51/66/388045166.db2.gz DDJLXSNZGWGJMG-HZSPNIEDSA-N 1 3 224.392 2.838 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423270522 388048963 /nfs/dbraw/zinc/04/89/63/388048963.db2.gz GNEZNAPVBOSDAY-IGQOVBAYSA-N 1 3 224.392 2.694 20 30 BFEDHO C=C(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449471347 388212726 /nfs/dbraw/zinc/21/27/26/388212726.db2.gz CEFDKXPDHISPBB-UHFFFAOYSA-N 1 3 224.392 2.805 20 30 BFEDHO C=C[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000489474345 388217749 /nfs/dbraw/zinc/21/77/49/388217749.db2.gz KEWJTRGCZCBSCW-OAHLLOKOSA-N 1 3 236.403 2.903 20 30 BFEDHO C=C[C@@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000489474345 388217750 /nfs/dbraw/zinc/21/77/50/388217750.db2.gz KEWJTRGCZCBSCW-OAHLLOKOSA-N 1 3 236.403 2.903 20 30 BFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248989478 388703631 /nfs/dbraw/zinc/70/36/31/388703631.db2.gz NBMBYIBWKYRVGL-CBBWQLFWSA-N 1 3 249.402 2.531 20 30 BFEDHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248989478 388703634 /nfs/dbraw/zinc/70/36/34/388703634.db2.gz NBMBYIBWKYRVGL-CBBWQLFWSA-N 1 3 249.402 2.531 20 30 BFEDHO C=C(C)CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000352046008 134045933 /nfs/dbraw/zinc/04/59/33/134045933.db2.gz JQKOMEUAMFCTGB-HNNXBMFYSA-N 1 3 236.403 2.903 20 30 BFEDHO CC(C)(C)[NH+]1CCC(N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336459343 134147800 /nfs/dbraw/zinc/14/78/00/134147800.db2.gz NACSDDHCMAZRNJ-TZMCWYRMSA-N 1 3 249.402 2.531 20 30 BFEDHO N#C[C@H]1CCC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000185760879 134393993 /nfs/dbraw/zinc/39/39/93/134393993.db2.gz FHIGLODENUKXLU-LSDHHAIUSA-N 1 3 249.402 2.534 20 30 BFEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000651967538 409807623 /nfs/dbraw/zinc/80/76/23/409807623.db2.gz JUTVVGDAYVSNBI-BFHYXJOUSA-N 1 3 224.392 2.519 20 30 BFEDHO C=CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562087 166264183 /nfs/dbraw/zinc/26/41/83/166264183.db2.gz ARZLVZZTTCPESX-UKRRQHHQSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338562087 166264184 /nfs/dbraw/zinc/26/41/84/166264184.db2.gz ARZLVZZTTCPESX-UKRRQHHQSA-N 1 3 234.387 2.511 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]CC[C@@H](N)C(C)C ZINC000665281011 410757310 /nfs/dbraw/zinc/75/73/10/410757310.db2.gz RNJHNIDYGLLTGD-CHWSQXEVSA-N 1 3 212.381 2.694 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]CCCN(C)CC(C)C ZINC000651865720 411147786 /nfs/dbraw/zinc/14/77/86/411147786.db2.gz FSBJVTGXLPAMGP-CQSZACIVSA-N 1 3 226.408 2.909 20 30 BFEDHO C=C(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656198468 411202641 /nfs/dbraw/zinc/20/26/41/411202641.db2.gz WLLOVXFSRXMTLK-HUUCEWRRSA-N 1 3 230.355 2.559 20 30 BFEDHO C=C(CC)CN(C)C1CC[NH+](CCC)CC1 ZINC000358489659 534371578 /nfs/dbraw/zinc/37/15/78/534371578.db2.gz KMZNHXLPCMLIDA-UHFFFAOYSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081516776 534718285 /nfs/dbraw/zinc/71/82/85/534718285.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081516776 534718291 /nfs/dbraw/zinc/71/82/91/534718291.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000081516776 534718296 /nfs/dbraw/zinc/71/82/96/534718296.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000081516776 534718298 /nfs/dbraw/zinc/71/82/98/534718298.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCN1CCC[C@H]([N@H+](C)CCC=C)CC1 ZINC000338568820 534770190 /nfs/dbraw/zinc/77/01/90/534770190.db2.gz GUEDEUMHJSWIAK-HNNXBMFYSA-N 1 3 236.403 2.925 20 30 BFEDHO C=CCCN1CCC[C@H]([N@@H+](C)CCC=C)CC1 ZINC000338568820 534770192 /nfs/dbraw/zinc/77/01/92/534770192.db2.gz GUEDEUMHJSWIAK-HNNXBMFYSA-N 1 3 236.403 2.925 20 30 BFEDHO C=CCCCCC[C@@H](C)N[C@@H](C)C[NH2+]C ZINC000854231064 588781012 /nfs/dbraw/zinc/78/10/12/588781012.db2.gz DANSAOZRCOWNAA-OLZOCXBDSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CC[C@H](CC)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902381730 584576642 /nfs/dbraw/zinc/57/66/42/584576642.db2.gz FSIPTHQVNQJEPU-STQMWFEESA-N 1 3 224.392 2.709 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902395725 584585479 /nfs/dbraw/zinc/58/54/79/584585479.db2.gz FGDCPNABJBZRRX-CYBMUJFWSA-N 1 3 238.419 2.957 20 30 BFEDHO CC1(C#N)CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902485295 584624930 /nfs/dbraw/zinc/62/49/30/584624930.db2.gz ZJDPZOYFOMBOJU-SLTAFYQDSA-N 1 3 249.402 2.581 20 30 BFEDHO C[C@@H]([NH3+])[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000903744284 584796434 /nfs/dbraw/zinc/79/64/34/584796434.db2.gz QTYRMZZSZIZMCF-ZIAGYGMSSA-N 1 3 249.402 2.520 20 30 BFEDHO C[C@@H]1C[C@H]([NH3+])CCN1CCCCC1(C#N)CCC1 ZINC000903768837 584798339 /nfs/dbraw/zinc/79/83/39/584798339.db2.gz SBFJATQAXHIVIA-ZIAGYGMSSA-N 1 3 249.402 2.662 20 30 BFEDHO C#CCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000754465585 585284957 /nfs/dbraw/zinc/28/49/57/585284957.db2.gz PAWFBPOGZPIHCW-GJZGRUSLSA-N 1 3 248.414 2.642 20 30 BFEDHO C=CCCCCC[C@H](C)N[C@@H]1CCC[NH2+]C1 ZINC000817941490 586844969 /nfs/dbraw/zinc/84/49/69/586844969.db2.gz QXLHSEVLWGQNRG-UONOGXRCSA-N 1 3 224.392 2.853 20 30 BFEDHO C=CCCCCC[C@@H](C)[NH2+]CC[C@H](C)N ZINC000817953503 586849363 /nfs/dbraw/zinc/84/93/63/586849363.db2.gz PZVBEIHQSDVPMH-QWHCGFSZSA-N 1 3 212.381 2.838 20 30 BFEDHO C#CCCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876940869 590259508 /nfs/dbraw/zinc/25/95/08/590259508.db2.gz ZKDDAJOAMVSDOA-HOTGVXAUSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940869 590259509 /nfs/dbraw/zinc/25/95/09/590259509.db2.gz ZKDDAJOAMVSDOA-HOTGVXAUSA-N 1 3 248.414 2.787 20 30 BFEDHO C#CCCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000876940869 590259511 /nfs/dbraw/zinc/25/95/11/590259511.db2.gz ZKDDAJOAMVSDOA-HOTGVXAUSA-N 1 3 248.414 2.787 20 30 BFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073816 590278251 /nfs/dbraw/zinc/27/82/51/590278251.db2.gz SPKOTPSUATXAQN-CVSAEHQPSA-N 1 3 249.402 2.531 20 30 BFEDHO C=CCCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887133266 592449397 /nfs/dbraw/zinc/44/93/97/592449397.db2.gz XUGQZHMQYPRCEK-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887133266 592449398 /nfs/dbraw/zinc/44/93/98/592449398.db2.gz XUGQZHMQYPRCEK-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133266 592449399 /nfs/dbraw/zinc/44/93/99/592449399.db2.gz XUGQZHMQYPRCEK-AWEZNQCLSA-N 1 3 245.370 2.558 20 30 BFEDHO CCCCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164668719 640495919 /nfs/dbraw/zinc/49/59/19/640495919.db2.gz NLAUCWSWXOTRPO-ZIAGYGMSSA-N 1 3 226.408 2.874 20 30 BFEDHO CCCCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164668719 640495923 /nfs/dbraw/zinc/49/59/23/640495923.db2.gz NLAUCWSWXOTRPO-ZIAGYGMSSA-N 1 3 226.408 2.874 20 30 BFEDHO CCCCCCCC[N@H+](C)CCCN ZINC000059088269 640784535 /nfs/dbraw/zinc/78/45/35/640784535.db2.gz PCOWESBUTJDBGQ-UHFFFAOYSA-N 1 3 200.370 2.628 20 30 BFEDHO CCCCCCCC[N@@H+](C)CCCN ZINC000059088269 640784540 /nfs/dbraw/zinc/78/45/40/640784540.db2.gz PCOWESBUTJDBGQ-UHFFFAOYSA-N 1 3 200.370 2.628 20 30 BFEDHO CCCCCCCCN(C)CCC[NH3+] ZINC000059088269 640784543 /nfs/dbraw/zinc/78/45/43/640784543.db2.gz PCOWESBUTJDBGQ-UHFFFAOYSA-N 1 3 200.370 2.628 20 30 BFEDHO C=CCCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925641461 646383838 /nfs/dbraw/zinc/38/38/38/646383838.db2.gz MZYWOAICMKQAFB-IHRRRGAJSA-N 1 3 236.403 2.709 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCNC12CCC2 ZINC000925730063 646454460 /nfs/dbraw/zinc/45/44/60/646454460.db2.gz NJFYWGYGZZSUGS-ZDUSSCGKSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@@H](C1CC1)[NH+]1CCC(N)(CC)CC1 ZINC000925755590 646464030 /nfs/dbraw/zinc/46/40/30/646464030.db2.gz GOSYVFANAKJQHR-AWEZNQCLSA-N 1 3 236.403 2.935 20 30 BFEDHO C=CCCC(C)(C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000704037131 712099079 /nfs/dbraw/zinc/09/90/79/712099079.db2.gz BBMFWMFEPUOJMQ-LXFSFDBISA-N 1 3 248.414 2.565 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001205905272 967881727 /nfs/dbraw/zinc/88/17/27/967881727.db2.gz ZVWVVZMXKBOXTJ-ZIAGYGMSSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001205905272 967881731 /nfs/dbraw/zinc/88/17/31/967881731.db2.gz ZVWVVZMXKBOXTJ-ZIAGYGMSSA-N 1 3 224.392 2.792 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)[C@H](N)C2)CC1 ZINC001206053262 968021769 /nfs/dbraw/zinc/02/17/69/968021769.db2.gz PBAXDDNZBADYAB-BPLDGKMQSA-N 1 3 234.387 2.568 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)[C@H](N)C2)CC1 ZINC001206053262 968021773 /nfs/dbraw/zinc/02/17/73/968021773.db2.gz PBAXDDNZBADYAB-BPLDGKMQSA-N 1 3 234.387 2.568 20 30 BFEDHO C=CCCCCCN1CCC([NH+]2CCC2)CC1 ZINC001209431648 969500470 /nfs/dbraw/zinc/50/04/70/969500470.db2.gz RCIXSQJNQCJPCN-UHFFFAOYSA-N 1 3 236.403 2.903 20 30 BFEDHO C=CCCC[NH2+][C@H](C)CCN(CC)CC ZINC001255948045 970583563 /nfs/dbraw/zinc/58/35/63/970583563.db2.gz DATCOXFIGKNWBJ-CYBMUJFWSA-N 1 3 212.381 2.663 20 30 BFEDHO C=CCCCCCCC[N@H+]1CC[C@](C)(N)C1 ZINC001204763407 963376898 /nfs/dbraw/zinc/37/68/98/963376898.db2.gz JDVWGZIPSDYZHA-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO C=CCCCCCCC[N@@H+]1CC[C@](C)(N)C1 ZINC001204763407 963376904 /nfs/dbraw/zinc/37/69/04/963376904.db2.gz JDVWGZIPSDYZHA-AWEZNQCLSA-N 1 3 224.392 2.936 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC[C@H](C)C2)CC1 ZINC001206269726 968186573 /nfs/dbraw/zinc/18/65/73/968186573.db2.gz SXPMXXJNYFSMBZ-GOEBONIOSA-N 1 3 248.414 2.830 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC[C@H](C)C2)CC1 ZINC001206269726 968186577 /nfs/dbraw/zinc/18/65/77/968186577.db2.gz SXPMXXJNYFSMBZ-GOEBONIOSA-N 1 3 248.414 2.830 20 30 BFEDHO CN1CCC[C@@H]1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173330203 975278218 /nfs/dbraw/zinc/27/82/18/975278218.db2.gz YICPUCFHBQNCOA-YMAMQOFZSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCNCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC001235445902 979046188 /nfs/dbraw/zinc/04/61/88/979046188.db2.gz VOIRAYDHEUNAJY-INIZCTEOSA-N 1 3 244.382 2.908 20 30 BFEDHO C=CCNCC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC001235445902 979046192 /nfs/dbraw/zinc/04/61/92/979046192.db2.gz VOIRAYDHEUNAJY-INIZCTEOSA-N 1 3 244.382 2.908 20 30 BFEDHO C=CCC[N@H+](Cc1ccccc1)C[C@@H](N)CC ZINC001235701936 979131074 /nfs/dbraw/zinc/13/10/74/979131074.db2.gz DYRVHKIMJNCQKF-HNNXBMFYSA-N 1 3 232.371 2.802 20 30 BFEDHO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](N)CC ZINC001235701936 979131078 /nfs/dbraw/zinc/13/10/78/979131078.db2.gz DYRVHKIMJNCQKF-HNNXBMFYSA-N 1 3 232.371 2.802 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235981543 979260296 /nfs/dbraw/zinc/26/02/96/979260296.db2.gz WRWYINDDCSWUTP-PMPSAXMXSA-N 1 3 246.398 2.712 20 30 BFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235981543 979260305 /nfs/dbraw/zinc/26/03/05/979260305.db2.gz WRWYINDDCSWUTP-PMPSAXMXSA-N 1 3 246.398 2.712 20 30 BFEDHO N#C[C@H]1CC[C@@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC001254638171 986683891 /nfs/dbraw/zinc/68/38/91/986683891.db2.gz XKAUWYZEJJWMLW-DZGCQCFKSA-N 1 3 249.402 2.662 20 30 BFEDHO N#C[C@H]1CC[C@@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC001254638171 986683901 /nfs/dbraw/zinc/68/39/01/986683901.db2.gz XKAUWYZEJJWMLW-DZGCQCFKSA-N 1 3 249.402 2.662 20 30 BFEDHO CC(C)(S)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256563475 987235655 /nfs/dbraw/zinc/23/56/55/987235655.db2.gz CCEXDAHCAPNUKJ-UHFFFAOYSA-N 1 3 244.448 2.547 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC1 ZINC001246115380 987452541 /nfs/dbraw/zinc/45/25/41/987452541.db2.gz HNRGVKZSKZTJFN-CHWSQXEVSA-N 1 3 212.381 2.687 20 30 BFEDHO C=C(CC)CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001473900570 987613836 /nfs/dbraw/zinc/61/38/36/987613836.db2.gz CGROJWXSPVAXDV-IYBDPMFKSA-N 1 3 248.414 2.760 20 30 BFEDHO C=C(CC)CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001473900570 987613840 /nfs/dbraw/zinc/61/38/40/987613840.db2.gz CGROJWXSPVAXDV-IYBDPMFKSA-N 1 3 248.414 2.760 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246610780 988234845 /nfs/dbraw/zinc/23/48/45/988234845.db2.gz NTGKAVZNMVQHST-CABCVRRESA-N 1 3 236.403 2.807 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246610780 988234867 /nfs/dbraw/zinc/23/48/67/988234867.db2.gz NTGKAVZNMVQHST-CABCVRRESA-N 1 3 236.403 2.807 20 30 BFEDHO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246659759 988390118 /nfs/dbraw/zinc/39/01/18/988390118.db2.gz GNCXLGJNFYVVLU-FQUUOJAGSA-N 1 3 224.392 2.624 20 30 BFEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246659759 988390135 /nfs/dbraw/zinc/39/01/35/988390135.db2.gz GNCXLGJNFYVVLU-FQUUOJAGSA-N 1 3 224.392 2.624 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001474756612 992514177 /nfs/dbraw/zinc/51/41/77/992514177.db2.gz JUOJHILAAXINQJ-CBBWQLFWSA-N 1 3 236.403 2.661 20 30 BFEDHO C=C(CN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423023833 398163404 /nfs/dbraw/zinc/16/34/04/398163404.db2.gz IEBWZJKYBVLQBN-CZUORRHYSA-N 1 3 244.382 2.678 20 30 BFEDHO C=CCCN(C)CC[C@H](C)[N@H+](C)CCC=C ZINC000276400412 538932274 /nfs/dbraw/zinc/93/22/74/538932274.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCN(C)CC[C@H](C)[N@@H+](C)CCC=C ZINC000276400412 538932275 /nfs/dbraw/zinc/93/22/75/538932275.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCN(C)[C@@H](C)CC[N@H+](C)CCC=C ZINC000276400412 538932276 /nfs/dbraw/zinc/93/22/76/538932276.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 1 3 224.392 2.781 20 30 BFEDHO C=CCCN(C)[C@@H](C)CC[N@@H+](C)CCC=C ZINC000276400412 538932277 /nfs/dbraw/zinc/93/22/77/538932277.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 1 3 224.392 2.781 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000358503690 344565727 /nfs/dbraw/zinc/56/57/27/344565727.db2.gz DNYHWICIOUMSPE-UONOGXRCSA-N 1 3 224.392 2.757 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000358503690 344565729 /nfs/dbraw/zinc/56/57/29/344565729.db2.gz DNYHWICIOUMSPE-UONOGXRCSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000635016506 345221484 /nfs/dbraw/zinc/22/14/84/345221484.db2.gz CGEPWIYXSCRWMS-KBPBESRZSA-N 1 3 238.419 2.957 20 30 BFEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000635020119 345222714 /nfs/dbraw/zinc/22/27/14/345222714.db2.gz JUGBGSARHMSWFC-CHWSQXEVSA-N 1 3 224.392 2.838 20 30 BFEDHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(C#N)cc1 ZINC000596653392 348606731 /nfs/dbraw/zinc/60/67/31/348606731.db2.gz KIDJBIJEIGXFME-IUODEOHRSA-N 1 3 245.370 2.582 20 30 BFEDHO C=C(C)CN1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000274798973 188092488 /nfs/dbraw/zinc/09/24/88/188092488.db2.gz JLGPMSUOLMGDRK-UHFFFAOYSA-N 1 3 245.370 2.842 20 30 BFEDHO C=CC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000162645601 353323795 /nfs/dbraw/zinc/32/37/95/353323795.db2.gz AOEPSBFTDABMOU-ZDUSSCGKSA-N 1 3 245.370 2.605 20 30 BFEDHO CC1(C#N)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000335147355 354860691 /nfs/dbraw/zinc/86/06/91/354860691.db2.gz TXOQOTVUUARCMD-LQULJDIASA-N 1 3 249.402 2.566 20 30 BFEDHO C=C(C)CCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000352006085 134034547 /nfs/dbraw/zinc/03/45/47/134034547.db2.gz SMSCHERSXHQTJS-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000352006085 134034548 /nfs/dbraw/zinc/03/45/48/134034548.db2.gz SMSCHERSXHQTJS-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=C(C)CC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000352006085 134034549 /nfs/dbraw/zinc/03/45/49/134034549.db2.gz SMSCHERSXHQTJS-AWEZNQCLSA-N 1 3 224.392 2.616 20 30 BFEDHO C=CCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683435 356593572 /nfs/dbraw/zinc/59/35/72/356593572.db2.gz ZDCWTQOXANIJMK-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO C=CCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683435 356593574 /nfs/dbraw/zinc/59/35/74/356593574.db2.gz ZDCWTQOXANIJMK-UHFFFAOYSA-N 1 3 245.370 2.560 20 30 BFEDHO C=CCC(C)(C)CN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423138107 192583169 /nfs/dbraw/zinc/58/31/69/192583169.db2.gz SBVMMEUGRFOSIP-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCC(C)(C)C[NH2+][C@H](CC)[C@@H]1CCCN1 ZINC000423138107 192583172 /nfs/dbraw/zinc/58/31/72/192583172.db2.gz SBVMMEUGRFOSIP-OLZOCXBDSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481037 134161754 /nfs/dbraw/zinc/16/17/54/134161754.db2.gz FIVYRZXTIVIDSG-UHFFFAOYSA-N 1 3 244.382 2.769 20 30 BFEDHO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423160581 192597607 /nfs/dbraw/zinc/59/76/07/192597607.db2.gz ZTEKLUYYJMGAAW-NSHDSACASA-N 1 3 247.386 2.712 20 30 BFEDHO C=CCN(C/C=C\C[N@H+](CC=C)C1CC1)C1CC1 ZINC000357534400 134183799 /nfs/dbraw/zinc/18/37/99/134183799.db2.gz ZSPDOHRUXMIKMI-WAYWQWQTSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CCN(C/C=C\C[N@@H+](CC=C)C1CC1)C1CC1 ZINC000357534400 134183800 /nfs/dbraw/zinc/18/38/00/134183800.db2.gz ZSPDOHRUXMIKMI-WAYWQWQTSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000398083651 357839336 /nfs/dbraw/zinc/83/93/36/357839336.db2.gz SQURYFPWJIOUAO-RWMBFGLXSA-N 1 3 210.365 2.591 20 30 BFEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000135151038 358822138 /nfs/dbraw/zinc/82/21/38/358822138.db2.gz OPNWZQGDZXMODN-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135151038 358822141 /nfs/dbraw/zinc/82/21/41/358822141.db2.gz OPNWZQGDZXMODN-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO CC(C)(CCC#N)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135151038 358822145 /nfs/dbraw/zinc/82/21/45/358822145.db2.gz OPNWZQGDZXMODN-ZIAGYGMSSA-N 1 3 249.402 2.533 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000423398498 192741747 /nfs/dbraw/zinc/74/17/47/192741747.db2.gz OZHBGDKWBMRPCC-RDBSUJKOSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1CC ZINC000629528198 361133006 /nfs/dbraw/zinc/13/30/06/361133006.db2.gz SAODXOVSDVOWIU-MELADBBJSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC(C)(C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000385016177 367772165 /nfs/dbraw/zinc/77/21/65/367772165.db2.gz YYTNYIBUDFHXQV-KBPBESRZSA-N 1 3 230.355 2.933 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000581736722 367799733 /nfs/dbraw/zinc/79/97/33/367799733.db2.gz GKVFPCZOIJYXQZ-KBPBESRZSA-N 1 3 224.392 2.840 20 30 BFEDHO C=CCCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000581736723 367799926 /nfs/dbraw/zinc/79/99/26/367799926.db2.gz GKVFPCZOIJYXQZ-KGLIPLIRSA-N 1 3 224.392 2.840 20 30 BFEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122209 371323666 /nfs/dbraw/zinc/32/36/66/371323666.db2.gz MERPKMSJODHBGS-ZIAGYGMSSA-N 1 3 224.392 2.663 20 30 BFEDHO C=C(CC)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000313477400 384413655 /nfs/dbraw/zinc/41/36/55/384413655.db2.gz CTVZQHWHJOUAAY-KGLIPLIRSA-N 1 3 216.328 2.687 20 30 BFEDHO C=C(CC)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000313503651 384434634 /nfs/dbraw/zinc/43/46/34/384434634.db2.gz LZQLTFXDXIPIFS-SOUVJXGZSA-N 1 3 236.403 2.853 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423372855 384848897 /nfs/dbraw/zinc/84/88/97/384848897.db2.gz HIBZNCGQLAAKJN-IHRRRGAJSA-N 1 3 224.392 2.981 20 30 BFEDHO C=CCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000581707428 385706366 /nfs/dbraw/zinc/70/63/66/385706366.db2.gz AVLCWOMVOXLKHT-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000581707428 385706369 /nfs/dbraw/zinc/70/63/69/385706369.db2.gz AVLCWOMVOXLKHT-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000581707428 385706374 /nfs/dbraw/zinc/70/63/74/385706374.db2.gz AVLCWOMVOXLKHT-AWEZNQCLSA-N 1 3 224.392 2.759 20 30 BFEDHO C=CCC[C@@H](CC)[NH2+]CCCNC(C)C ZINC000520216721 386600931 /nfs/dbraw/zinc/60/09/31/386600931.db2.gz WFTMAZRIUGZEAJ-CYBMUJFWSA-N 1 3 212.381 2.709 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423337946 387186232 /nfs/dbraw/zinc/18/62/32/387186232.db2.gz UNUPZAUQXUMOOC-IHRRRGAJSA-N 1 3 224.392 2.566 20 30 BFEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423386754 387271261 /nfs/dbraw/zinc/27/12/61/387271261.db2.gz RPUZMNCOCKRBHV-HZSPNIEDSA-N 1 3 224.392 2.851 20 30 BFEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423395151 387282383 /nfs/dbraw/zinc/28/23/83/387282383.db2.gz RSXKUEYSUSCDSV-QWHCGFSZSA-N 1 3 244.382 2.980 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000527733588 387682439 /nfs/dbraw/zinc/68/24/39/387682439.db2.gz DGBFAZJTGLAWNI-UONOGXRCSA-N 1 3 236.403 2.805 20 30 BFEDHO C=C(CN[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423027165 387844346 /nfs/dbraw/zinc/84/43/46/387844346.db2.gz OMCAIPVQYRELLD-HOTGVXAUSA-N 1 3 244.382 2.807 20 30 BFEDHO C=C(C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000423027165 387844351 /nfs/dbraw/zinc/84/43/51/387844351.db2.gz OMCAIPVQYRELLD-HOTGVXAUSA-N 1 3 244.382 2.807 20 30 BFEDHO C[C@H](CCN[C@@H]1CC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000442858288 387851938 /nfs/dbraw/zinc/85/19/38/387851938.db2.gz VBZPYSQPLLBNGX-RBSFLKMASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCCCC1 ZINC000442858288 387851943 /nfs/dbraw/zinc/85/19/43/387851943.db2.gz VBZPYSQPLLBNGX-RBSFLKMASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[C@@H](C#N)C1 ZINC000442653605 387814905 /nfs/dbraw/zinc/81/49/05/387814905.db2.gz RBEJXAKPHHHHOY-KFWWJZLASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[C@@H](C#N)C1 ZINC000442653605 387814908 /nfs/dbraw/zinc/81/49/08/387814908.db2.gz RBEJXAKPHHHHOY-KFWWJZLASA-N 1 3 249.402 2.533 20 30 BFEDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442653605 387814913 /nfs/dbraw/zinc/81/49/13/387814913.db2.gz RBEJXAKPHHHHOY-KFWWJZLASA-N 1 3 249.402 2.533 20 30 BFEDHO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423096143 387884184 /nfs/dbraw/zinc/88/41/84/387884184.db2.gz GYZAMJXCYPIQNZ-WCQYABFASA-N 1 3 247.386 2.854 20 30 BFEDHO C=CCC1(C[NH2+][C@@H]2CCCNCC2)CCCC1 ZINC000423164918 387948874 /nfs/dbraw/zinc/94/88/74/387948874.db2.gz UAEWZMPXAQIUOQ-CQSZACIVSA-N 1 3 236.403 2.855 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423208640 387993019 /nfs/dbraw/zinc/99/30/19/387993019.db2.gz DJDSGABHVNWAIV-XDQVBPFNSA-N 1 3 224.392 2.565 20 30 BFEDHO C=CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423214685 387998271 /nfs/dbraw/zinc/99/82/71/387998271.db2.gz LUGLLTWPQDVCJH-RDBSUJKOSA-N 1 3 224.392 2.709 20 30 BFEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000453225828 388016359 /nfs/dbraw/zinc/01/63/59/388016359.db2.gz CEQCOLJTVBFTEX-UONOGXRCSA-N 1 3 226.408 2.909 20 30 BFEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)CNC ZINC000423282290 388065174 /nfs/dbraw/zinc/06/51/74/388065174.db2.gz WKEFBFBYSUOBMO-QWHCGFSZSA-N 1 3 212.381 2.566 20 30 BFEDHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423270523 388049663 /nfs/dbraw/zinc/04/96/63/388049663.db2.gz GNEZNAPVBOSDAY-XDQVBPFNSA-N 1 3 224.392 2.694 20 30 BFEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000530213023 388628035 /nfs/dbraw/zinc/62/80/35/388628035.db2.gz SUYWZPXQEGTHBB-QWHCGFSZSA-N 1 3 224.392 2.566 20 30 BFEDHO CCC[NH+]1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361441320 134205563 /nfs/dbraw/zinc/20/55/63/134205563.db2.gz UZOOFFLRDAONPL-UKRRQHHQSA-N 1 3 249.402 2.533 20 30 BFEDHO C#CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000178052941 134302802 /nfs/dbraw/zinc/30/28/02/134302802.db2.gz WEZSXHWJGSYSBH-UHFFFAOYSA-N 1 3 248.414 2.787 20 30 BFEDHO C=CCCC[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000340764802 135228916 /nfs/dbraw/zinc/22/89/16/135228916.db2.gz VZWZZIOYMYNOIZ-CYBMUJFWSA-N 1 3 224.392 2.757 20 30 BFEDHO C=CCC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000271883936 166295226 /nfs/dbraw/zinc/29/52/26/166295226.db2.gz QFFPEPHWMCOOKT-OAHLLOKOSA-N 1 3 234.387 2.583 20 30 BFEDHO C=CCN(C/C=C/C[N@H+](CC=C)C1CC1)C1CC1 ZINC000271547442 166323050 /nfs/dbraw/zinc/32/30/50/166323050.db2.gz ZSPDOHRUXMIKMI-AATRIKPKSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CCN(C/C=C/C[N@@H+](CC=C)C1CC1)C1CC1 ZINC000271547442 166323052 /nfs/dbraw/zinc/32/30/52/166323052.db2.gz ZSPDOHRUXMIKMI-AATRIKPKSA-N 1 3 246.398 2.843 20 30 BFEDHO C=CC[C@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000651748685 411141103 /nfs/dbraw/zinc/14/11/03/411141103.db2.gz UNVYQLTWLSXIMX-DZGCQCFKSA-N 1 3 234.387 2.583 20 30 BFEDHO C=CC[C@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000651748688 411141208 /nfs/dbraw/zinc/14/12/08/411141208.db2.gz UNVYQLTWLSXIMX-ZFWWWQNUSA-N 1 3 234.387 2.583 20 30 BFEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280695 412225358 /nfs/dbraw/zinc/22/53/58/412225358.db2.gz JDYWRMAHASLLIC-FRRDWIJNSA-N 1 3 212.381 2.550 20 30 BFEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995221 487925212 /nfs/dbraw/zinc/92/52/12/487925212.db2.gz GPCJIGCJWAYIPV-OLZOCXBDSA-N 1 3 222.376 2.605 20 30 BFEDHO C=CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000562697615 323028211 /nfs/dbraw/zinc/02/82/11/323028211.db2.gz XBOZHAVANQHPJV-LSDHHAIUSA-N 1 3 236.403 2.759 20 30 BFEDHO C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000562697615 323028212 /nfs/dbraw/zinc/02/82/12/323028212.db2.gz XBOZHAVANQHPJV-LSDHHAIUSA-N 1 3 236.403 2.759 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358615501 534375063 /nfs/dbraw/zinc/37/50/63/534375063.db2.gz NQSOAMPGLBUVNT-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=C(CC)CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358615501 534375070 /nfs/dbraw/zinc/37/50/70/534375070.db2.gz NQSOAMPGLBUVNT-UONOGXRCSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000304193210 534735995 /nfs/dbraw/zinc/73/59/95/534735995.db2.gz AWDWCPJIJOQTFG-KBPBESRZSA-N 1 3 216.328 2.687 20 30 BFEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895291907 583637474 /nfs/dbraw/zinc/63/74/74/583637474.db2.gz JPPTYZUJVSJTMF-MJBXVCDLSA-N 1 3 224.392 2.661 20 30 BFEDHO C=CC[C@H]1CCC[N@H+](C[C@H]2CCCCNC2)C1 ZINC000903764810 584797264 /nfs/dbraw/zinc/79/72/64/584797264.db2.gz BNJGRCZFTBHKMJ-GJZGRUSLSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCCCNC2)C1 ZINC000903764810 584797266 /nfs/dbraw/zinc/79/72/66/584797266.db2.gz BNJGRCZFTBHKMJ-GJZGRUSLSA-N 1 3 236.403 2.664 20 30 BFEDHO C=CCCCCCCC[NH2+][C@@H](C)C1CNC1 ZINC000817931559 586842099 /nfs/dbraw/zinc/84/20/99/586842099.db2.gz LQMDMZDYJZUEFC-ZDUSSCGKSA-N 1 3 224.392 2.711 20 30 BFEDHO C=CCCCCC[C@@H](C)N[C@H]1CCC[NH2+]C1 ZINC000817941488 586845628 /nfs/dbraw/zinc/84/56/28/586845628.db2.gz QXLHSEVLWGQNRG-KGLIPLIRSA-N 1 3 224.392 2.853 20 30 BFEDHO CCCCCCCC[N@@H+]1CCC[C@@H](N)C1 ZINC000108665165 588480710 /nfs/dbraw/zinc/48/07/10/588480710.db2.gz KCRHZQWJDUYANO-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCCC[N@H+]1CCC[C@@H](N)C1 ZINC000108665165 588480711 /nfs/dbraw/zinc/48/07/11/588480711.db2.gz KCRHZQWJDUYANO-CYBMUJFWSA-N 1 3 212.381 2.770 20 30 BFEDHO CCCCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000863539463 589296511 /nfs/dbraw/zinc/29/65/11/589296511.db2.gz CNHKCWCEWXGZIS-NWDGAFQWSA-N 1 3 200.370 2.672 20 30 BFEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000873281072 590018246 /nfs/dbraw/zinc/01/82/46/590018246.db2.gz XGOTUWMEPIJFKO-KGLIPLIRSA-N 1 3 238.419 2.957 20 30 BFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000877073818 590278272 /nfs/dbraw/zinc/27/82/72/590278272.db2.gz SPKOTPSUATXAQN-PFSRBDOWSA-N 1 3 249.402 2.531 20 30 BFEDHO C#CCCCCCC[NH2+]CCCN1CCCC1 ZINC000877143094 590291757 /nfs/dbraw/zinc/29/17/57/590291757.db2.gz DIOXVAFBTDLZOA-UHFFFAOYSA-N 1 3 236.403 2.646 20 30 BFEDHO C=CC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000878159508 590510554 /nfs/dbraw/zinc/51/05/54/590510554.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000878159508 590510555 /nfs/dbraw/zinc/51/05/55/590510555.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000878159508 590510556 /nfs/dbraw/zinc/51/05/56/590510556.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000878159508 590510557 /nfs/dbraw/zinc/51/05/57/590510557.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 1 3 224.392 2.615 20 30 BFEDHO C=CC[C@H](C)[NH+]1CCC(C)(N2CCCC2)CC1 ZINC000879203671 590714015 /nfs/dbraw/zinc/71/40/15/590714015.db2.gz SVYHCRRXTAZVEZ-AWEZNQCLSA-N 1 3 236.403 2.901 20 30 BFEDHO C=C(Cl)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248325 590720668 /nfs/dbraw/zinc/72/06/68/590720668.db2.gz LATCTRIBYVQZSI-UHFFFAOYSA-N 1 3 242.794 2.547 20 30 BFEDHO C=C(C)CC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258863 590979061 /nfs/dbraw/zinc/97/90/61/590979061.db2.gz DJHYWHFKCYBSBV-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=C(C)CC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258863 590979064 /nfs/dbraw/zinc/97/90/64/590979064.db2.gz DJHYWHFKCYBSBV-CQSZACIVSA-N 1 3 245.370 2.558 20 30 BFEDHO C=CCCCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000309182935 632696328 /nfs/dbraw/zinc/69/63/28/632696328.db2.gz GBXMKRKNRRXLBN-KBPBESRZSA-N 1 3 224.392 2.840 20 30 BFEDHO C=CC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925601619 634126910 /nfs/dbraw/zinc/12/69/10/634126910.db2.gz MKQBLBVTGJSETB-NWANDNLSSA-N 1 3 236.403 2.709 20 30 BFEDHO C=C(C)CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925680052 634276998 /nfs/dbraw/zinc/27/69/98/634276998.db2.gz GSDAXPLLHOPRDI-LSDHHAIUSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCCC[NH+]1CCC(C)(N(C)C)CC1 ZINC000931354980 640166727 /nfs/dbraw/zinc/16/67/27/640166727.db2.gz MYOSGIOSPYXQMJ-UHFFFAOYSA-N 1 3 224.392 2.759 20 30 BFEDHO C=C[C@H](C)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925254820 646221003 /nfs/dbraw/zinc/22/10/03/646221003.db2.gz AXJJLJHLRGBTJJ-ZDUSSCGKSA-N 1 3 224.392 2.661 20 30 BFEDHO C=C[C@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000925254820 646221007 /nfs/dbraw/zinc/22/10/07/646221007.db2.gz AXJJLJHLRGBTJJ-ZDUSSCGKSA-N 1 3 224.392 2.661 20 30 BFEDHO C=C(C)CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925680050 646407928 /nfs/dbraw/zinc/40/79/28/646407928.db2.gz GSDAXPLLHOPRDI-GJZGRUSLSA-N 1 3 236.403 2.711 20 30 BFEDHO C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209432917 957462295 /nfs/dbraw/zinc/46/22/95/957462295.db2.gz NFIHTFGCUHAWFV-CABCVRRESA-N 1 3 236.403 2.901 20 30 BFEDHO C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209432917 957462307 /nfs/dbraw/zinc/46/23/07/957462307.db2.gz NFIHTFGCUHAWFV-CABCVRRESA-N 1 3 236.403 2.901 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@H](N)CC1 ZINC001205094300 965726779 /nfs/dbraw/zinc/72/67/79/965726779.db2.gz LERSKDKASCHAHX-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@H](N)CC1 ZINC001205094300 965726793 /nfs/dbraw/zinc/72/67/93/965726793.db2.gz LERSKDKASCHAHX-ZDUSSCGKSA-N 1 3 210.365 2.546 20 30 BFEDHO C=CCCCCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863402 967863127 /nfs/dbraw/zinc/86/31/27/967863127.db2.gz QTBRLPDEQXJVRK-KGLIPLIRSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863402 967863128 /nfs/dbraw/zinc/86/31/28/967863128.db2.gz QTBRLPDEQXJVRK-KGLIPLIRSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCC[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205905270 967878868 /nfs/dbraw/zinc/87/88/68/967878868.db2.gz ZVWVVZMXKBOXTJ-UONOGXRCSA-N 1 3 224.392 2.792 20 30 BFEDHO C=CCCCCC[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205905270 967878872 /nfs/dbraw/zinc/87/88/72/967878872.db2.gz ZVWVVZMXKBOXTJ-UONOGXRCSA-N 1 3 224.392 2.792 20 30 BFEDHO CC[NH+](CC)C1CCC(N[C@@H](C)CC#N)CC1 ZINC001173107079 975025816 /nfs/dbraw/zinc/02/58/16/975025816.db2.gz JPSWDKAHVKZTCF-HSBZDZAISA-N 1 3 237.391 2.531 20 30 BFEDHO C=CCCCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958707 979230194 /nfs/dbraw/zinc/23/01/94/979230194.db2.gz JEKVDJCKROOUJO-QDMKHBRRSA-N 1 3 236.403 2.792 20 30 BFEDHO C=C1C[C@@H]2CC([NH+]3CCC(C)(N)CC3)C[C@H](C1)C2 ZINC001257887700 971520059 /nfs/dbraw/zinc/52/00/59/971520059.db2.gz GGWAVGLGBSNWDP-YIONKMFJSA-N 1 3 248.414 2.935 20 30 BFEDHO C=C(C)CCc1ccccc1N[C@@H](N)CCC[NH3+] ZINC001170901066 972067543 /nfs/dbraw/zinc/06/75/43/972067543.db2.gz VGXZJFICCBEAQH-OAHLLOKOSA-N 1 3 247.386 2.631 20 30 BFEDHO C#CCCC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209265670 957371453 /nfs/dbraw/zinc/37/14/53/957371453.db2.gz CXRWBOMNMMADLW-INIZCTEOSA-N 1 3 248.414 2.740 20 30 BFEDHO C#CCCC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209265670 957371464 /nfs/dbraw/zinc/37/14/64/957371464.db2.gz CXRWBOMNMMADLW-INIZCTEOSA-N 1 3 248.414 2.740 20 30 BFEDHO CC[C@H](CC#N)NCCCCC[NH+]1CCCC1 ZINC001255157359 969964470 /nfs/dbraw/zinc/96/44/70/969964470.db2.gz PIBRFSKFSVPSJJ-CQSZACIVSA-N 1 3 237.391 2.534 20 30 BFEDHO C#CC(CC)(CC)[NH2+][C@H](C)CCN(CC)CC ZINC001255940002 970571707 /nfs/dbraw/zinc/57/17/07/970571707.db2.gz LIIYCBWTFYSGJA-CQSZACIVSA-N 1 3 238.419 2.888 20 30 BFEDHO CN1C(C)(C)CC([NH2+]CCCS)CC1(C)C ZINC001171623479 974120958 /nfs/dbraw/zinc/12/09/58/974120958.db2.gz AIYZCVSHPJPDJM-UHFFFAOYSA-N 1 3 244.448 2.547 20 30 BFEDHO C=CCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994538 978944283 /nfs/dbraw/zinc/94/42/83/978944283.db2.gz ULXBVECKGWFERT-HNNXBMFYSA-N 1 3 236.403 2.808 20 30 BFEDHO CCCCCCC[C@H](C)[NH2+]CC1(C)CNC1 ZINC001246094780 987404479 /nfs/dbraw/zinc/40/44/79/987404479.db2.gz OEKIGLCBNQIFGY-ZDUSSCGKSA-N 1 3 226.408 2.935 20 30 BFEDHO CCCCCCC[C@@H](C)[NH2+]CC1(C)CNC1 ZINC001246094779 987404672 /nfs/dbraw/zinc/40/46/72/987404672.db2.gz OEKIGLCBNQIFGY-CYBMUJFWSA-N 1 3 226.408 2.935 20 30 BFEDHO N#CCC1CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246580182 988106155 /nfs/dbraw/zinc/10/61/55/988106155.db2.gz FNCNNDRXVIBPKJ-SHARSMKWSA-N 1 3 249.402 2.520 20 30 BFEDHO N#CCC1CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246580182 988106164 /nfs/dbraw/zinc/10/61/64/988106164.db2.gz FNCNNDRXVIBPKJ-SHARSMKWSA-N 1 3 249.402 2.520 20 30 BFEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258734311 991681021 /nfs/dbraw/zinc/68/10/21/991681021.db2.gz WMYJLCRCXJTFKI-KFWWJZLASA-N 1 3 236.403 2.615 20 30 BFEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258734311 991681024 /nfs/dbraw/zinc/68/10/24/991681024.db2.gz WMYJLCRCXJTFKI-KFWWJZLASA-N 1 3 236.403 2.615 20 30 BFEDHO