smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472310 1032906644 /nfs/dbraw/zinc/90/66/44/1032906644.db2.gz DUBNDDOGLVKFFV-TZIWHRDSSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000602472310 1032906657 /nfs/dbraw/zinc/90/66/57/1032906657.db2.gz DUBNDDOGLVKFFV-TZIWHRDSSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000602472310 1032906666 /nfs/dbraw/zinc/90/66/66/1032906666.db2.gz DUBNDDOGLVKFFV-TZIWHRDSSA-N 2 1 325.500 3.914 20 30 EHEDMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775344 /nfs/dbraw/zinc/77/53/44/1020775344.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775355 /nfs/dbraw/zinc/77/53/55/1020775355.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775365 /nfs/dbraw/zinc/77/53/65/1020775365.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775373 /nfs/dbraw/zinc/77/53/73/1020775373.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000581575662 1021103317 /nfs/dbraw/zinc/10/33/17/1021103317.db2.gz ZYNMIRRNYRZPDE-WMZOPIPTSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000581575662 1021103320 /nfs/dbraw/zinc/10/33/20/1021103320.db2.gz ZYNMIRRNYRZPDE-WMZOPIPTSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000581575662 1021103323 /nfs/dbraw/zinc/10/33/23/1021103323.db2.gz ZYNMIRRNYRZPDE-WMZOPIPTSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000581575662 1021103327 /nfs/dbraw/zinc/10/33/27/1021103327.db2.gz ZYNMIRRNYRZPDE-WMZOPIPTSA-N 2 1 334.891 3.821 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475169 1023237098 /nfs/dbraw/zinc/23/70/98/1023237098.db2.gz SUOROFXKAQNTBF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475169 1023237103 /nfs/dbraw/zinc/23/71/03/1023237103.db2.gz SUOROFXKAQNTBF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475169 1023237113 /nfs/dbraw/zinc/23/71/13/1023237113.db2.gz SUOROFXKAQNTBF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475169 1023237124 /nfs/dbraw/zinc/23/71/24/1023237124.db2.gz SUOROFXKAQNTBF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401461 1024672629 /nfs/dbraw/zinc/67/26/29/1024672629.db2.gz PFDIGINRNMWGHQ-SFHVURJKSA-N 2 1 325.500 3.651 20 30 EHEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401461 1024672641 /nfs/dbraw/zinc/67/26/41/1024672641.db2.gz PFDIGINRNMWGHQ-SFHVURJKSA-N 2 1 325.500 3.651 20 30 EHEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401461 1024672646 /nfs/dbraw/zinc/67/26/46/1024672646.db2.gz PFDIGINRNMWGHQ-SFHVURJKSA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401461 1024672649 /nfs/dbraw/zinc/67/26/49/1024672649.db2.gz PFDIGINRNMWGHQ-SFHVURJKSA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401461 1024672652 /nfs/dbraw/zinc/67/26/52/1024672652.db2.gz PFDIGINRNMWGHQ-SFHVURJKSA-N 2 1 325.500 3.651 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237500302 1027572735 /nfs/dbraw/zinc/57/27/35/1027572735.db2.gz OWUSGPDUEDBCAN-IBGZPJMESA-N 2 1 328.500 3.833 20 30 EHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000423260931 1028299319 /nfs/dbraw/zinc/29/93/19/1028299319.db2.gz ITQQGPRTLNSVKJ-NYLDSWQDSA-N 2 1 325.500 3.888 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687507 1029102715 /nfs/dbraw/zinc/10/27/15/1029102715.db2.gz BWUGVSAWWTVWOA-OAHLLOKOSA-N 2 1 346.434 3.912 20 30 EHEDMP N#Cc1ccccc1COc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000237836586 1029206849 /nfs/dbraw/zinc/20/68/49/1029206849.db2.gz HMVVSHDSENCNIQ-UHFFFAOYSA-N 2 1 349.478 3.713 20 30 EHEDMP N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563809 1030628897 /nfs/dbraw/zinc/62/88/97/1030628897.db2.gz VBKNJVCFVFZMRY-FQEVSTJZSA-N 2 1 341.499 3.819 20 30 EHEDMP N#CCCCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563809 1030628904 /nfs/dbraw/zinc/62/89/04/1030628904.db2.gz VBKNJVCFVFZMRY-FQEVSTJZSA-N 2 1 341.499 3.819 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925550 1033546196 /nfs/dbraw/zinc/54/61/96/1033546196.db2.gz NUUOXOYOEDIIPN-GOSISDBHSA-N 2 1 325.500 3.986 20 30 EHEDMP C=CCC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658135474 1033971010 /nfs/dbraw/zinc/97/10/10/1033971010.db2.gz DXWKXHULAOHVCP-UXHICEINSA-N 2 1 340.467 3.643 20 30 EHEDMP C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000595896637 1034022625 /nfs/dbraw/zinc/02/26/25/1034022625.db2.gz SMYBPZHBLBUKMR-LRDDRELGSA-N 2 1 325.378 3.526 20 30 EHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000595896637 1034022637 /nfs/dbraw/zinc/02/26/37/1034022637.db2.gz SMYBPZHBLBUKMR-LRDDRELGSA-N 2 1 325.378 3.526 20 30 EHEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000541909176 1036798410 /nfs/dbraw/zinc/79/84/10/1036798410.db2.gz MHWCCBJKLMXNOQ-LJQANCHMSA-N 2 1 349.478 3.521 20 30 EHEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000541909176 1036798422 /nfs/dbraw/zinc/79/84/22/1036798422.db2.gz MHWCCBJKLMXNOQ-LJQANCHMSA-N 2 1 349.478 3.521 20 30 EHEDMP C=CCCC[C@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449705 1039186358 /nfs/dbraw/zinc/18/63/58/1039186358.db2.gz KHIHWRUJISRVCJ-RBBKRZOGSA-N 2 1 341.543 3.623 20 30 EHEDMP N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060129 1040897038 /nfs/dbraw/zinc/89/70/38/1040897038.db2.gz VJYDQGSOESMCBW-IBGZPJMESA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060129 1040897048 /nfs/dbraw/zinc/89/70/48/1040897048.db2.gz VJYDQGSOESMCBW-IBGZPJMESA-N 2 1 341.499 3.525 20 30 EHEDMP CSc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C#N ZINC000925771998 1042829115 /nfs/dbraw/zinc/82/91/15/1042829115.db2.gz FWANSHCUONGGDP-OALUTQOASA-N 2 1 337.492 3.863 20 30 EHEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001167838176 1043047290 /nfs/dbraw/zinc/04/72/90/1043047290.db2.gz RFWITZHAAGMPHO-NQIIRXRSSA-N 2 1 343.515 3.912 20 30 EHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279032192 1043224700 /nfs/dbraw/zinc/22/47/00/1043224700.db2.gz WHANXEWVVIBHLV-HZPDHXFCSA-N 2 1 345.874 3.928 20 30 EHEDMP C[N@H+]1CCC[C@H](CNCc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775559 1128751121 /nfs/dbraw/zinc/75/11/21/1128751121.db2.gz GDLAPCTWXKCOOQ-RHSMWYFYSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775559 1128751125 /nfs/dbraw/zinc/75/11/25/1128751125.db2.gz GDLAPCTWXKCOOQ-RHSMWYFYSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775559 1128751127 /nfs/dbraw/zinc/75/11/27/1128751127.db2.gz GDLAPCTWXKCOOQ-RHSMWYFYSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+](Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N)C1CCCCC1 ZINC000609574535 1123611818 /nfs/dbraw/zinc/61/18/18/1123611818.db2.gz PDOQUAXLCKEAMS-SFHVURJKSA-N 2 1 338.499 3.984 20 30 EHEDMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N)C1CCCCC1 ZINC000609574535 1123611819 /nfs/dbraw/zinc/61/18/19/1123611819.db2.gz PDOQUAXLCKEAMS-SFHVURJKSA-N 2 1 338.499 3.984 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1C#N ZINC000742368423 1131711342 /nfs/dbraw/zinc/71/13/42/1131711342.db2.gz ANZPNJPJXGEDIZ-UHFFFAOYSA-N 2 1 341.499 3.701 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001172493740 1131757980 /nfs/dbraw/zinc/75/79/80/1131757980.db2.gz COANFORBQFLPJJ-GOSISDBHSA-N 2 1 340.515 3.840 20 30 EHEDMP C=CCOC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001173325022 1132047334 /nfs/dbraw/zinc/04/73/34/1132047334.db2.gz XPJBCADCTKCKJU-YYZRRKBYSA-N 2 1 346.540 3.626 20 30 EHEDMP N#CCC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173335971 1132051684 /nfs/dbraw/zinc/05/16/84/1132051684.db2.gz ITUMYHGJPSANJG-SAGYGOJTSA-N 2 1 329.513 3.584 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1 ZINC001169710006 1132830238 /nfs/dbraw/zinc/83/02/38/1132830238.db2.gz UUYQHMVMMQHDGX-FQEVSTJZSA-N 2 1 346.478 3.850 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198593 1137309562 /nfs/dbraw/zinc/30/95/62/1137309562.db2.gz NLWYHZXKVQBEEE-NQSCKRDGSA-N 2 1 348.494 3.656 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000183157853 1125458122 /nfs/dbraw/zinc/45/81/22/1125458122.db2.gz BPLCLMXXSIERSA-INIZCTEOSA-N 2 1 346.434 3.782 20 30 EHEDMP C=CC[NH+]1CCC(NCc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280541312 1020468927 /nfs/dbraw/zinc/46/89/27/1020468927.db2.gz CZMSMIGDTHKIIS-UHFFFAOYSA-N 2 1 336.483 3.590 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602577559 1032996482 /nfs/dbraw/zinc/99/64/82/1032996482.db2.gz VRPSJBSZXPRNFM-OMZYAQQMSA-N 2 1 325.500 3.959 20 30 EHEDMP COc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000237152238 1021659738 /nfs/dbraw/zinc/65/97/38/1021659738.db2.gz IQXVIKZSSBQTJO-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP COc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000237152238 1021659751 /nfs/dbraw/zinc/65/97/51/1021659751.db2.gz IQXVIKZSSBQTJO-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000506475365 1023234045 /nfs/dbraw/zinc/23/40/45/1023234045.db2.gz VUOAPJPWLMZUQF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475365 1023234052 /nfs/dbraw/zinc/23/40/52/1023234052.db2.gz VUOAPJPWLMZUQF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475365 1023234060 /nfs/dbraw/zinc/23/40/60/1023234060.db2.gz VUOAPJPWLMZUQF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475365 1023234068 /nfs/dbraw/zinc/23/40/68/1023234068.db2.gz VUOAPJPWLMZUQF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475365 1023234073 /nfs/dbraw/zinc/23/40/73/1023234073.db2.gz VUOAPJPWLMZUQF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280953349 1024483202 /nfs/dbraw/zinc/48/32/02/1024483202.db2.gz XSSVNNGNAGAEPE-CUUWFGFTSA-N 2 1 340.511 3.753 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000153017382 1026912992 /nfs/dbraw/zinc/91/29/92/1026912992.db2.gz BCFSSYXGIUZVRU-MRXNPFEDSA-N 2 1 332.488 3.533 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000447585008 1030318954 /nfs/dbraw/zinc/31/89/54/1030318954.db2.gz IOGSJIFSMNFLQP-HZEGPAAWSA-N 2 1 325.500 3.959 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527656897 1031117551 /nfs/dbraw/zinc/11/75/51/1031117551.db2.gz LQCRHHNDPSMFTG-UHFFFAOYSA-N 2 1 342.405 3.844 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527656897 1031117555 /nfs/dbraw/zinc/11/75/55/1031117555.db2.gz LQCRHHNDPSMFTG-UHFFFAOYSA-N 2 1 342.405 3.844 20 30 EHEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000329605141 1031313551 /nfs/dbraw/zinc/31/35/51/1031313551.db2.gz ZENZFXSZDPSHMN-FUHWJXTLSA-N 2 1 344.503 3.508 20 30 EHEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000329605141 1031313565 /nfs/dbraw/zinc/31/35/65/1031313565.db2.gz ZENZFXSZDPSHMN-FUHWJXTLSA-N 2 1 344.503 3.508 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595476420 1033825196 /nfs/dbraw/zinc/82/51/96/1033825196.db2.gz LSYVDJQYCKPZSB-JOCHJYFZSA-N 2 1 347.506 3.991 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595476420 1033825208 /nfs/dbraw/zinc/82/52/08/1033825208.db2.gz LSYVDJQYCKPZSB-JOCHJYFZSA-N 2 1 347.506 3.991 20 30 EHEDMP CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029847 1033984495 /nfs/dbraw/zinc/98/44/95/1033984495.db2.gz RXWHTVYYCVXPDD-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c(C(F)(F)F)c1 ZINC000595894607 1034023404 /nfs/dbraw/zinc/02/34/04/1034023404.db2.gz XLWNJFJEIXLEAP-MRXNPFEDSA-N 2 1 325.378 3.574 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000472593747 1036852448 /nfs/dbraw/zinc/85/24/48/1036852448.db2.gz ALWKODODRLQBBT-UHFFFAOYSA-N 2 1 334.891 3.965 20 30 EHEDMP C=CCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000472593747 1036852472 /nfs/dbraw/zinc/85/24/72/1036852472.db2.gz ALWKODODRLQBBT-UHFFFAOYSA-N 2 1 334.891 3.965 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000614168154 1040337926 /nfs/dbraw/zinc/33/79/26/1040337926.db2.gz UWZKWKKVUXEEKQ-HXUWFJFHSA-N 2 1 325.500 3.938 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000614168154 1040337941 /nfs/dbraw/zinc/33/79/41/1040337941.db2.gz UWZKWKKVUXEEKQ-HXUWFJFHSA-N 2 1 325.500 3.938 20 30 EHEDMP C=CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000662675679 1042825331 /nfs/dbraw/zinc/82/53/31/1042825331.db2.gz PRWYKXVXKFSKLA-DYESRHJHSA-N 2 1 341.499 3.698 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000921619023 1127813813 /nfs/dbraw/zinc/81/38/13/1127813813.db2.gz KQTZWCFCDACFJV-QGZVFWFLSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000921619023 1127813817 /nfs/dbraw/zinc/81/38/17/1127813817.db2.gz KQTZWCFCDACFJV-QGZVFWFLSA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207000 1128071077 /nfs/dbraw/zinc/07/10/77/1128071077.db2.gz HEFTXHORVNLCLC-LANMQJKKSA-N 2 1 325.500 3.817 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000404054583 1128674633 /nfs/dbraw/zinc/67/46/33/1128674633.db2.gz GHZMIFWVUHMIFS-SEJPIABJSA-N 2 1 349.453 3.983 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000404054583 1128674636 /nfs/dbraw/zinc/67/46/36/1128674636.db2.gz GHZMIFWVUHMIFS-SEJPIABJSA-N 2 1 349.453 3.983 20 30 EHEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000618191992 1125017657 /nfs/dbraw/zinc/01/76/57/1125017657.db2.gz CIMPZGCUFOFDIZ-NRFANRHFSA-N 2 1 333.479 3.869 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000730017397 1130667445 /nfs/dbraw/zinc/66/74/45/1130667445.db2.gz GWQLXQRYAJIHKE-UHFFFAOYSA-N 2 1 327.516 3.807 20 30 EHEDMP C=CCOC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325020 1132047191 /nfs/dbraw/zinc/04/71/91/1132047191.db2.gz XPJBCADCTKCKJU-YXWAVELNSA-N 2 1 346.540 3.626 20 30 EHEDMP N#CCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001173327680 1132048310 /nfs/dbraw/zinc/04/83/10/1132048310.db2.gz FNZYRHATDNWRGN-HODLZWQNSA-N 2 1 337.511 3.959 20 30 EHEDMP C=CC(C)(C)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001179516215 1133255308 /nfs/dbraw/zinc/25/53/08/1133255308.db2.gz TUMDCWJTGPYXGB-UHFFFAOYSA-N 2 1 333.495 3.660 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000815652044 1136626508 /nfs/dbraw/zinc/62/65/08/1136626508.db2.gz MYDMADRBSWGDHL-OAHLLOKOSA-N 2 1 327.497 3.724 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000815652044 1136626511 /nfs/dbraw/zinc/62/65/11/1136626511.db2.gz MYDMADRBSWGDHL-OAHLLOKOSA-N 2 1 327.497 3.724 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000815652043 1136626739 /nfs/dbraw/zinc/62/67/39/1136626739.db2.gz MYDMADRBSWGDHL-HNNXBMFYSA-N 2 1 327.497 3.724 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000815652043 1136626741 /nfs/dbraw/zinc/62/67/41/1136626741.db2.gz MYDMADRBSWGDHL-HNNXBMFYSA-N 2 1 327.497 3.724 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001171198620 1137309771 /nfs/dbraw/zinc/30/97/71/1137309771.db2.gz NROABLAXJIPZKW-INIZCTEOSA-N 2 1 337.442 3.578 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001171198624 1137309776 /nfs/dbraw/zinc/30/97/76/1137309776.db2.gz NROABLAXJIPZKW-MRXNPFEDSA-N 2 1 337.442 3.578 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303569 1137549106 /nfs/dbraw/zinc/54/91/06/1137549106.db2.gz BQJSXQSPZQARRT-HSQYWUDLSA-N 2 1 348.494 3.656 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696566 1139925088 /nfs/dbraw/zinc/92/50/88/1139925088.db2.gz NGKKDIBZMRZOHD-QGZVFWFLSA-N 2 1 337.467 3.891 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191511843 1140469205 /nfs/dbraw/zinc/46/92/05/1140469205.db2.gz YYAQLTHEHNHDRN-SFHVURJKSA-N 2 1 332.513 3.862 20 30 EHEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271059417 1141302220 /nfs/dbraw/zinc/30/22/20/1141302220.db2.gz FPZZKAAEAYNEBH-MDMXATFFSA-N 2 1 336.483 3.821 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000614401054 1018975988 /nfs/dbraw/zinc/97/59/88/1018975988.db2.gz YVHLETWPBPYKED-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000614401054 1018976003 /nfs/dbraw/zinc/97/60/03/1018976003.db2.gz YVHLETWPBPYKED-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000614401054 1018976016 /nfs/dbraw/zinc/97/60/16/1018976016.db2.gz YVHLETWPBPYKED-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000614401054 1018976031 /nfs/dbraw/zinc/97/60/31/1018976031.db2.gz YVHLETWPBPYKED-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434530 1021434382 /nfs/dbraw/zinc/43/43/82/1021434382.db2.gz BVRBVRPPMFZGRJ-PBHICJAKSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434530 1021434391 /nfs/dbraw/zinc/43/43/91/1021434391.db2.gz BVRBVRPPMFZGRJ-PBHICJAKSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434530 1021434402 /nfs/dbraw/zinc/43/44/02/1021434402.db2.gz BVRBVRPPMFZGRJ-PBHICJAKSA-N 2 1 331.891 3.954 20 30 EHEDMP N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000439460730 1021445537 /nfs/dbraw/zinc/44/55/37/1021445537.db2.gz YICXPCLZZNPYRL-APWZRJJASA-N 2 1 329.875 3.660 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428764 1023127315 /nfs/dbraw/zinc/12/73/15/1023127315.db2.gz JUNRFZYUMGQIBI-NRFANRHFSA-N 2 1 349.478 3.569 20 30 EHEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449734780 1033127515 /nfs/dbraw/zinc/12/75/15/1033127515.db2.gz DMATWFKMXAYWES-YWZLYKJASA-N 2 1 329.463 3.830 20 30 EHEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000449737262 1033137369 /nfs/dbraw/zinc/13/73/69/1033137369.db2.gz RBXFNIKEGMZVGU-KXBFYZLASA-N 2 1 329.463 3.830 20 30 EHEDMP CC(C)(C#N)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375767848 1033146672 /nfs/dbraw/zinc/14/66/72/1033146672.db2.gz JVJUEEBSZLVVAQ-OAQYLSRUSA-N 2 1 325.500 3.914 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375767848 1033146678 /nfs/dbraw/zinc/14/66/78/1033146678.db2.gz JVJUEEBSZLVVAQ-OAQYLSRUSA-N 2 1 325.500 3.914 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375767848 1033146692 /nfs/dbraw/zinc/14/66/92/1033146692.db2.gz JVJUEEBSZLVVAQ-OAQYLSRUSA-N 2 1 325.500 3.914 20 30 EHEDMP Cc1sc(NC(=O)CN2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1C ZINC000329821647 1024210629 /nfs/dbraw/zinc/21/06/29/1024210629.db2.gz GVZOUCCOURZXLB-UHFFFAOYSA-N 2 1 332.473 3.864 20 30 EHEDMP O=C(CN1CCC(c2ncc[nH]2)CC1)NC1(c2ccccc2)CCC1 ZINC000329853141 1024221831 /nfs/dbraw/zinc/22/18/31/1024221831.db2.gz VGPQMAZIYMAVJP-UHFFFAOYSA-N 2 1 338.455 3.625 20 30 EHEDMP C=C(C)CN1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000106246174 1024563803 /nfs/dbraw/zinc/56/38/03/1024563803.db2.gz WSMCGPXLTUWKRY-UHFFFAOYSA-N 2 1 331.479 3.556 20 30 EHEDMP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000329185659 1025651968 /nfs/dbraw/zinc/65/19/68/1025651968.db2.gz OQTJAUHWMJDNAQ-YOEHRIQHSA-N 2 1 326.444 3.671 20 30 EHEDMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000329185659 1025651977 /nfs/dbraw/zinc/65/19/77/1025651977.db2.gz OQTJAUHWMJDNAQ-YOEHRIQHSA-N 2 1 326.444 3.671 20 30 EHEDMP N#Cc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(F)c1 ZINC000281990377 1025867934 /nfs/dbraw/zinc/86/79/34/1025867934.db2.gz IEIQBBTURSNHLW-KRWDZBQOSA-N 2 1 338.430 3.610 20 30 EHEDMP N#Cc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c(F)c1 ZINC000281990377 1025867951 /nfs/dbraw/zinc/86/79/51/1025867951.db2.gz IEIQBBTURSNHLW-KRWDZBQOSA-N 2 1 338.430 3.610 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000162550378 1029745628 /nfs/dbraw/zinc/74/56/28/1029745628.db2.gz XVKAGKFCFYZMCW-UHFFFAOYSA-N 2 1 330.369 3.975 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594504433 1033406804 /nfs/dbraw/zinc/40/68/04/1033406804.db2.gz IULCZNIVDMVAKG-LJQANCHMSA-N 2 1 327.516 3.945 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055783 1033634228 /nfs/dbraw/zinc/63/42/28/1033634228.db2.gz JLJBAWPSSRVWAF-XMSQKQJNSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055783 1033634231 /nfs/dbraw/zinc/63/42/31/1033634231.db2.gz JLJBAWPSSRVWAF-XMSQKQJNSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@]1(C[NH2+]Cc2ccc(C#N)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000309675525 1033637595 /nfs/dbraw/zinc/63/75/95/1033637595.db2.gz WGXAKEWTYMGAOF-LJQANCHMSA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@]1(C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309675525 1033637605 /nfs/dbraw/zinc/63/76/05/1033637605.db2.gz WGXAKEWTYMGAOF-LJQANCHMSA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323751 1033740379 /nfs/dbraw/zinc/74/03/79/1033740379.db2.gz OPENWRJYUGPWIR-GHTZIAJQSA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323751 1033740395 /nfs/dbraw/zinc/74/03/95/1033740395.db2.gz OPENWRJYUGPWIR-GHTZIAJQSA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323751 1033740407 /nfs/dbraw/zinc/74/04/07/1033740407.db2.gz OPENWRJYUGPWIR-GHTZIAJQSA-N 2 1 325.500 3.687 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000057961424 1035109425 /nfs/dbraw/zinc/10/94/25/1035109425.db2.gz DIUFOABHHOFJIU-UHFFFAOYSA-N 2 1 346.515 3.860 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177583038 1035248238 /nfs/dbraw/zinc/24/82/38/1035248238.db2.gz XKBYAGQUOWIOHA-UHFFFAOYSA-N 2 1 340.511 3.975 20 30 EHEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000376389898 1036466434 /nfs/dbraw/zinc/46/64/34/1036466434.db2.gz YUMQJIQVRDLTRF-UHFFFAOYSA-N 2 1 325.500 3.796 20 30 EHEDMP N#CCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997741 1036605417 /nfs/dbraw/zinc/60/54/17/1036605417.db2.gz QQECZSSPIGDBPY-GOTSBHOMSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997741 1036605428 /nfs/dbraw/zinc/60/54/28/1036605428.db2.gz QQECZSSPIGDBPY-GOTSBHOMSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997741 1036605442 /nfs/dbraw/zinc/60/54/42/1036605442.db2.gz QQECZSSPIGDBPY-GOTSBHOMSA-N 2 1 345.490 3.707 20 30 EHEDMP N#Cc1cc(F)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589298 1036626798 /nfs/dbraw/zinc/62/67/98/1036626798.db2.gz DFFWPCYGAOZZPY-UHFFFAOYSA-N 2 1 329.463 3.785 20 30 EHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000057843870 1037202177 /nfs/dbraw/zinc/20/21/77/1037202177.db2.gz SXNANJCMKGINJG-UHFFFAOYSA-N 2 1 333.479 3.902 20 30 EHEDMP CC(C)(C#N)CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353535 1039798557 /nfs/dbraw/zinc/79/85/57/1039798557.db2.gz HSRIGYJUZDPKNW-UXHICEINSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353535 1039798561 /nfs/dbraw/zinc/79/85/61/1039798561.db2.gz HSRIGYJUZDPKNW-UXHICEINSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353535 1039798567 /nfs/dbraw/zinc/79/85/67/1039798567.db2.gz HSRIGYJUZDPKNW-UXHICEINSA-N 2 1 325.500 3.770 20 30 EHEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000344299431 1043622789 /nfs/dbraw/zinc/62/27/89/1043622789.db2.gz HVQDKHUEPGNHQM-FQEVSTJZSA-N 2 1 331.423 3.710 20 30 EHEDMP Cc1cc(C#N)ccc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186246332 1128357544 /nfs/dbraw/zinc/35/75/44/1128357544.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186246332 1128357547 /nfs/dbraw/zinc/35/75/47/1128357547.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186246332 1128357552 /nfs/dbraw/zinc/35/75/52/1128357552.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858162 1128739912 /nfs/dbraw/zinc/73/99/12/1128739912.db2.gz UKZCAWFHVVVSGR-LJQANCHMSA-N 2 1 333.479 3.999 20 30 EHEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858162 1128739914 /nfs/dbraw/zinc/73/99/14/1128739914.db2.gz UKZCAWFHVVVSGR-LJQANCHMSA-N 2 1 333.479 3.999 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1csc(C#N)c1 ZINC000921816562 1128785291 /nfs/dbraw/zinc/78/52/91/1128785291.db2.gz PPPIYOLHFWNQPW-HNAYVOBHSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921816562 1128785295 /nfs/dbraw/zinc/78/52/95/1128785295.db2.gz PPPIYOLHFWNQPW-HNAYVOBHSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763647 1128914542 /nfs/dbraw/zinc/91/45/42/1128914542.db2.gz FKZRAMJGUSZVBB-CRAIPNDOSA-N 2 1 325.481 3.620 20 30 EHEDMP CCCCCCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000919860721 1123193713 /nfs/dbraw/zinc/19/37/13/1123193713.db2.gz FQQVXTDMSPHGTK-UHFFFAOYSA-N 2 1 332.492 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206052 1129336403 /nfs/dbraw/zinc/33/64/03/1129336403.db2.gz LFGGYZJVDREXLT-WIYYLYMNSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206052 1129336408 /nfs/dbraw/zinc/33/64/08/1129336408.db2.gz LFGGYZJVDREXLT-WIYYLYMNSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206052 1129336412 /nfs/dbraw/zinc/33/64/12/1129336412.db2.gz LFGGYZJVDREXLT-WIYYLYMNSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206052 1129336415 /nfs/dbraw/zinc/33/64/15/1129336415.db2.gz LFGGYZJVDREXLT-WIYYLYMNSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506671 1131762380 /nfs/dbraw/zinc/76/23/80/1131762380.db2.gz ZAMHWTXZYXHCPS-NRSPTQNISA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506671 1131762386 /nfs/dbraw/zinc/76/23/86/1131762386.db2.gz ZAMHWTXZYXHCPS-NRSPTQNISA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506671 1131762390 /nfs/dbraw/zinc/76/23/90/1131762390.db2.gz ZAMHWTXZYXHCPS-NRSPTQNISA-N 2 1 325.500 3.913 20 30 EHEDMP C#Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311902 /nfs/dbraw/zinc/31/19/02/1137311902.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 2 1 330.475 3.766 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311904 /nfs/dbraw/zinc/31/19/04/1137311904.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 2 1 330.475 3.766 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311906 /nfs/dbraw/zinc/31/19/06/1137311906.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 2 1 330.475 3.766 20 30 EHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111107 1137537422 /nfs/dbraw/zinc/53/74/22/1137537422.db2.gz RYFOZWIMOILLGM-PHZGNYQRSA-N 2 1 337.389 3.682 20 30 EHEDMP C=C(Br)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821568 1138232003 /nfs/dbraw/zinc/23/20/03/1138232003.db2.gz VRDFQVIMVIOGTB-UHFFFAOYSA-N 2 1 338.293 3.529 20 30 EHEDMP C=C(Br)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821568 1138232004 /nfs/dbraw/zinc/23/20/04/1138232004.db2.gz VRDFQVIMVIOGTB-UHFFFAOYSA-N 2 1 338.293 3.529 20 30 EHEDMP CC1(C#N)CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000449069931 1032156018 /nfs/dbraw/zinc/15/60/18/1032156018.db2.gz AYOAYBHYDJJJRH-UHFFFAOYSA-N 2 1 325.500 3.756 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172833 1032266982 /nfs/dbraw/zinc/26/69/82/1032266982.db2.gz MNCFVDJCKPNMAX-AFVILVPDSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172833 1032266989 /nfs/dbraw/zinc/26/69/89/1032266989.db2.gz MNCFVDJCKPNMAX-AFVILVPDSA-N 2 1 325.500 3.959 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459729991 1032434648 /nfs/dbraw/zinc/43/46/48/1032434648.db2.gz LEVFRCDIDZSEFR-XUVXKRRUSA-N 2 1 325.500 3.817 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647208549 1022607668 /nfs/dbraw/zinc/60/76/68/1022607668.db2.gz VBJOOTYNBIIMEG-ACRUOGEOSA-N 2 1 340.511 3.754 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647208549 1022607681 /nfs/dbraw/zinc/60/76/81/1022607681.db2.gz VBJOOTYNBIIMEG-ACRUOGEOSA-N 2 1 340.511 3.754 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026938 1024468324 /nfs/dbraw/zinc/46/83/24/1024468324.db2.gz MKQQXYVXOMODIW-IPJJNNNSSA-N 2 1 341.543 3.668 20 30 EHEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(F)c1 ZINC000281990380 1025869860 /nfs/dbraw/zinc/86/98/60/1025869860.db2.gz IEIQBBTURSNHLW-QGZVFWFLSA-N 2 1 338.430 3.610 20 30 EHEDMP N#Cc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c(F)c1 ZINC000281990380 1025869879 /nfs/dbraw/zinc/86/98/79/1025869879.db2.gz IEIQBBTURSNHLW-QGZVFWFLSA-N 2 1 338.430 3.610 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000153039300 1026965979 /nfs/dbraw/zinc/96/59/79/1026965979.db2.gz SYQJUAVLDKXBQG-RXVVDRJESA-N 2 1 333.564 3.660 20 30 EHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007433 /nfs/dbraw/zinc/00/74/33/1029007433.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007456 /nfs/dbraw/zinc/00/74/56/1029007456.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007469 /nfs/dbraw/zinc/00/74/69/1029007469.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 2 1 329.488 3.531 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC000106246195 1033560471 /nfs/dbraw/zinc/56/04/71/1033560471.db2.gz SSYHALKAGFHLJM-UHFFFAOYSA-N 2 1 346.515 3.860 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055781 1033634198 /nfs/dbraw/zinc/63/41/98/1033634198.db2.gz JLJBAWPSSRVWAF-GCJKJVERSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055781 1033634203 /nfs/dbraw/zinc/63/42/03/1033634203.db2.gz JLJBAWPSSRVWAF-GCJKJVERSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595435452 1033801364 /nfs/dbraw/zinc/80/13/64/1033801364.db2.gz FVQJSFJEMNFSOV-MOJGAOKDSA-N 2 1 347.506 3.847 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000541155213 1036034780 /nfs/dbraw/zinc/03/47/80/1036034780.db2.gz JJLAXYLUZOCECP-INIZCTEOSA-N 2 1 326.488 3.514 20 30 EHEDMP CC[N@H+](CCC1CC[NH+](Cc2ccncc2C#N)CC1)CC(C)C ZINC000592096307 1037832683 /nfs/dbraw/zinc/83/26/83/1037832683.db2.gz LOUUQHJLJZXTRH-UHFFFAOYSA-N 2 1 328.504 3.533 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccncc2C#N)CC1)CC(C)C ZINC000592096307 1037832706 /nfs/dbraw/zinc/83/27/06/1037832706.db2.gz LOUUQHJLJZXTRH-UHFFFAOYSA-N 2 1 328.504 3.533 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463249698 1037951320 /nfs/dbraw/zinc/95/13/20/1037951320.db2.gz XBXFDPSTCZMZCO-PGRDOPGGSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000463249698 1037951334 /nfs/dbraw/zinc/95/13/34/1037951334.db2.gz XBXFDPSTCZMZCO-PGRDOPGGSA-N 2 1 333.479 3.743 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000236684685 1038805267 /nfs/dbraw/zinc/80/52/67/1038805267.db2.gz JKQUYKQVNZYHSI-UHFFFAOYSA-N 2 1 348.490 3.627 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000236684685 1038805287 /nfs/dbraw/zinc/80/52/87/1038805287.db2.gz JKQUYKQVNZYHSI-UHFFFAOYSA-N 2 1 348.490 3.627 20 30 EHEDMP C=CCCCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512485394 1039464437 /nfs/dbraw/zinc/46/44/37/1039464437.db2.gz GZYNQOVUPRPBCP-QFIPXVFZSA-N 2 1 341.543 3.625 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905936 1042277038 /nfs/dbraw/zinc/27/70/38/1042277038.db2.gz VCKNNMJJSYTEKW-IBGZPJMESA-N 2 1 349.478 3.569 20 30 EHEDMP C=CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCC[NH2+]1 ZINC000662675681 1042825517 /nfs/dbraw/zinc/82/55/17/1042825517.db2.gz PRWYKXVXKFSKLA-UTKZUKDTSA-N 2 1 341.499 3.698 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185384738 1126883289 /nfs/dbraw/zinc/88/32/89/1126883289.db2.gz JIYYLLSCMBNFLJ-INIZCTEOSA-N 2 1 328.500 3.962 20 30 EHEDMP N#Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cs1 ZINC000921508865 1127144068 /nfs/dbraw/zinc/14/40/68/1127144068.db2.gz ZXACQYXUQVOEKQ-UHFFFAOYSA-N 2 1 325.481 3.895 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466306 1128827684 /nfs/dbraw/zinc/82/76/84/1128827684.db2.gz WEJXFFPUGALSEE-MJGOQNOKSA-N 2 1 325.481 3.792 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466306 1128827686 /nfs/dbraw/zinc/82/76/86/1128827686.db2.gz WEJXFFPUGALSEE-MJGOQNOKSA-N 2 1 325.481 3.792 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180552028 1124028650 /nfs/dbraw/zinc/02/86/50/1124028650.db2.gz NWSVJAKJHVLWCC-MRXNPFEDSA-N 2 1 346.434 3.934 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248862259 1124709608 /nfs/dbraw/zinc/70/96/08/1124709608.db2.gz PVHGEPLDNOCXLW-YZUZWNONSA-N 2 1 325.500 3.815 20 30 EHEDMP C=CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000766021611 1129812784 /nfs/dbraw/zinc/81/27/84/1129812784.db2.gz UTFZJRBVZFZZTB-JOCHJYFZSA-N 2 1 335.495 3.996 20 30 EHEDMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831815 1130175697 /nfs/dbraw/zinc/17/56/97/1130175697.db2.gz SOAAKSIRBHTUBT-WIYYLYMNSA-N 2 1 333.479 3.867 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245689530 1130287712 /nfs/dbraw/zinc/28/77/12/1130287712.db2.gz KCSOOIAFFVKREO-DKUWSORSSA-N 2 1 331.463 3.843 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460523 1130359760 /nfs/dbraw/zinc/35/97/60/1130359760.db2.gz WEJXFFPUGALSEE-PKOBYXMFSA-N 2 1 325.481 3.792 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460523 1130359766 /nfs/dbraw/zinc/35/97/66/1130359766.db2.gz WEJXFFPUGALSEE-PKOBYXMFSA-N 2 1 325.481 3.792 20 30 EHEDMP C[C@@H](CCCC#N)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001172489474 1131756593 /nfs/dbraw/zinc/75/65/93/1131756593.db2.gz STABYAAQJBNMEK-VMHNJKNPSA-N 2 1 331.463 3.645 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000743400442 1131913369 /nfs/dbraw/zinc/91/33/69/1131913369.db2.gz TZEJFKCMIVXBBH-INIZCTEOSA-N 2 1 344.528 3.546 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000743400442 1131913371 /nfs/dbraw/zinc/91/33/71/1131913371.db2.gz TZEJFKCMIVXBBH-INIZCTEOSA-N 2 1 344.528 3.546 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000743400442 1131913376 /nfs/dbraw/zinc/91/33/76/1131913376.db2.gz TZEJFKCMIVXBBH-INIZCTEOSA-N 2 1 344.528 3.546 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000743400442 1131913382 /nfs/dbraw/zinc/91/33/82/1131913382.db2.gz TZEJFKCMIVXBBH-INIZCTEOSA-N 2 1 344.528 3.546 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173333516 1132050660 /nfs/dbraw/zinc/05/06/60/1132050660.db2.gz OITPCPJIUJUNDG-JYSRZZCRSA-N 2 1 344.528 3.512 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1 ZINC001168845860 1132586558 /nfs/dbraw/zinc/58/65/58/1132586558.db2.gz HPAFHQFEEUYEAJ-FQEVSTJZSA-N 2 1 332.451 3.807 20 30 EHEDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)CC1 ZINC001175362513 1132650353 /nfs/dbraw/zinc/65/03/53/1132650353.db2.gz WBVNWFMDMBEOPW-NRFANRHFSA-N 2 1 325.500 3.687 20 30 EHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000768927832 1133204827 /nfs/dbraw/zinc/20/48/27/1133204827.db2.gz XLFNPOZXSDXLTB-QGZVFWFLSA-N 2 1 329.488 3.530 20 30 EHEDMP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971193 1133217563 /nfs/dbraw/zinc/21/75/63/1133217563.db2.gz FOXPZNQMEAWPJA-BDKRGJGYSA-N 2 1 342.527 3.858 20 30 EHEDMP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971193 1133217569 /nfs/dbraw/zinc/21/75/69/1133217569.db2.gz FOXPZNQMEAWPJA-BDKRGJGYSA-N 2 1 342.527 3.858 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809755179 1135886958 /nfs/dbraw/zinc/88/69/58/1135886958.db2.gz HHBNWXPMXUVPAW-QGZVFWFLSA-N 2 1 340.471 3.649 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809755179 1135886960 /nfs/dbraw/zinc/88/69/60/1135886960.db2.gz HHBNWXPMXUVPAW-QGZVFWFLSA-N 2 1 340.471 3.649 20 30 EHEDMP C[NH+](CC[Si](C)(C)CC[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000859314888 1137011435 /nfs/dbraw/zinc/01/14/35/1137011435.db2.gz BSRHGVXMBGIALL-UHFFFAOYSA-N 2 1 336.600 3.658 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171179283 1137290655 /nfs/dbraw/zinc/29/06/55/1137290655.db2.gz QNAKTFIZXOLKOH-WMZHIEFXSA-N 2 1 347.506 3.991 20 30 EHEDMP N#CCc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886629534 1138103602 /nfs/dbraw/zinc/10/36/02/1138103602.db2.gz HQEBFMJIGUXQBZ-VABKMULXSA-N 2 1 345.490 3.895 20 30 EHEDMP C=C(C)COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000093645076 1138239372 /nfs/dbraw/zinc/23/93/72/1138239372.db2.gz AXBANFPTCVEYJK-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000093645076 1138239374 /nfs/dbraw/zinc/23/93/74/1138239374.db2.gz AXBANFPTCVEYJK-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000093645076 1138239376 /nfs/dbraw/zinc/23/93/76/1138239376.db2.gz AXBANFPTCVEYJK-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154999 1139196634 /nfs/dbraw/zinc/19/66/34/1139196634.db2.gz SBJRNYWPUGPMCF-GOSISDBHSA-N 2 1 340.471 3.967 20 30 EHEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(OCC#N)cc3)CC2)C1 ZINC000180559759 1139846541 /nfs/dbraw/zinc/84/65/41/1139846541.db2.gz UMRNYRFAGMUUKT-PXNSSMCTSA-N 2 1 341.499 3.722 20 30 EHEDMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271060536 1141303103 /nfs/dbraw/zinc/30/31/03/1141303103.db2.gz GKCVJSUAVGNNIP-UHFFFAOYSA-N 2 1 336.483 3.966 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1F ZINC000176955442 1017538179 /nfs/dbraw/zinc/53/81/79/1017538179.db2.gz WCDMNYOPQJKYES-UHFFFAOYSA-N 2 1 326.400 3.543 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000614401056 1018974272 /nfs/dbraw/zinc/97/42/72/1018974272.db2.gz YVHLETWPBPYKED-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000614401056 1018974283 /nfs/dbraw/zinc/97/42/83/1018974283.db2.gz YVHLETWPBPYKED-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000614401056 1018974291 /nfs/dbraw/zinc/97/42/91/1018974291.db2.gz YVHLETWPBPYKED-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000614401056 1018974305 /nfs/dbraw/zinc/97/43/05/1018974305.db2.gz YVHLETWPBPYKED-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602716173 1033102877 /nfs/dbraw/zinc/10/28/77/1033102877.db2.gz ADXAGUNPGFIZIE-UYAOXDASSA-N 2 1 325.500 3.818 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000330208768 1024355591 /nfs/dbraw/zinc/35/55/91/1024355591.db2.gz BHJXAYIKBXJVLQ-LIRRHRJNSA-N 2 1 338.455 3.825 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000330208768 1024355603 /nfs/dbraw/zinc/35/56/03/1024355603.db2.gz BHJXAYIKBXJVLQ-LIRRHRJNSA-N 2 1 338.455 3.825 20 30 EHEDMP C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924983584 1024370201 /nfs/dbraw/zinc/37/02/01/1024370201.db2.gz CUSYUUGFHDAAQR-CYBMUJFWSA-N 2 1 338.293 3.535 20 30 EHEDMP C=CCN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000281068939 1024615758 /nfs/dbraw/zinc/61/57/58/1024615758.db2.gz SRTCUVLRFGIVMY-UHFFFAOYSA-N 2 1 341.543 3.670 20 30 EHEDMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000329181663 1025648293 /nfs/dbraw/zinc/64/82/93/1025648293.db2.gz NMSFRNMADBTGQF-BQFCYCMXSA-N 2 1 326.444 3.751 20 30 EHEDMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000329181663 1025648303 /nfs/dbraw/zinc/64/83/03/1025648303.db2.gz NMSFRNMADBTGQF-BQFCYCMXSA-N 2 1 326.444 3.751 20 30 EHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]CC(C)(C)CCC#N)CC2)cs1 ZINC000174377988 1031206538 /nfs/dbraw/zinc/20/65/38/1031206538.db2.gz FYRFQQUPWCGRRJ-UHFFFAOYSA-N 2 1 348.560 3.837 20 30 EHEDMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000599069185 1033709599 /nfs/dbraw/zinc/70/95/99/1033709599.db2.gz CTCCCPGVGWZRKA-PELRDEGISA-N 2 1 325.500 3.712 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603474 1036506091 /nfs/dbraw/zinc/50/60/91/1036506091.db2.gz OJORINWOZBTXOK-WMZOPIPTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603474 1036506101 /nfs/dbraw/zinc/50/61/01/1036506101.db2.gz OJORINWOZBTXOK-WMZOPIPTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463252451 1037954771 /nfs/dbraw/zinc/95/47/71/1037954771.db2.gz NESVKGXQPJHYEB-YXUAKONQSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463252451 1037954787 /nfs/dbraw/zinc/95/47/87/1037954787.db2.gz NESVKGXQPJHYEB-YXUAKONQSA-N 2 1 325.500 3.959 20 30 EHEDMP CC(C)(C#N)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310353537 1039797041 /nfs/dbraw/zinc/79/70/41/1039797041.db2.gz HSRIGYJUZDPKNW-WOJBJXKFSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310353537 1039797058 /nfs/dbraw/zinc/79/70/58/1039797058.db2.gz HSRIGYJUZDPKNW-WOJBJXKFSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310353537 1039797081 /nfs/dbraw/zinc/79/70/81/1039797081.db2.gz HSRIGYJUZDPKNW-WOJBJXKFSA-N 2 1 325.500 3.770 20 30 EHEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001167838681 1043047084 /nfs/dbraw/zinc/04/70/84/1043047084.db2.gz VWKXBKDSWSCNCD-UYAOXDASSA-N 2 1 343.515 3.912 20 30 EHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279032189 1043223834 /nfs/dbraw/zinc/22/38/34/1043223834.db2.gz WHANXEWVVIBHLV-CVEARBPZSA-N 2 1 345.874 3.928 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000177557892 1126983945 /nfs/dbraw/zinc/98/39/45/1126983945.db2.gz UUOAVLYTNFMGSZ-UHFFFAOYSA-N 2 1 343.559 3.775 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000403981002 1128673024 /nfs/dbraw/zinc/67/30/24/1128673024.db2.gz ATZPCTAHLPPODR-OXJNMPFZSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976406 1128989072 /nfs/dbraw/zinc/98/90/72/1128989072.db2.gz FEHIICOYNAIYLB-MAUKXSAKSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976406 1128989074 /nfs/dbraw/zinc/98/90/74/1128989074.db2.gz FEHIICOYNAIYLB-MAUKXSAKSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]1C[C@H](NCc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000080338259 1129348225 /nfs/dbraw/zinc/34/82/25/1129348225.db2.gz SYVRAHRYAYKLCR-CRAIPNDOSA-N 2 1 325.481 3.762 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000080338259 1129348229 /nfs/dbraw/zinc/34/82/29/1129348229.db2.gz SYVRAHRYAYKLCR-CRAIPNDOSA-N 2 1 325.481 3.762 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCSCC#N ZINC000282592921 1131099259 /nfs/dbraw/zinc/09/92/59/1131099259.db2.gz XDVVXROCXLBUNZ-SFHVURJKSA-N 2 1 331.529 3.524 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCSCC#N ZINC000282592921 1131099264 /nfs/dbraw/zinc/09/92/64/1131099264.db2.gz XDVVXROCXLBUNZ-SFHVURJKSA-N 2 1 331.529 3.524 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332880 1132050113 /nfs/dbraw/zinc/05/01/13/1132050113.db2.gz VKHZFPUQGONFOE-CZOVOBHWSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332880 1132050122 /nfs/dbraw/zinc/05/01/22/1132050122.db2.gz VKHZFPUQGONFOE-CZOVOBHWSA-N 2 1 325.500 3.959 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])cc1 ZINC001169195998 1132688819 /nfs/dbraw/zinc/68/88/19/1132688819.db2.gz XTWSETXEJCIISI-FQEVSTJZSA-N 2 1 332.451 3.807 20 30 EHEDMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C1 ZINC001199336428 1135895942 /nfs/dbraw/zinc/89/59/42/1135895942.db2.gz OIZNTKLVXCCDMK-SIKLNZKXSA-N 2 1 341.543 3.659 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001171198175 1137307907 /nfs/dbraw/zinc/30/79/07/1137307907.db2.gz IHCSBEKDLPUXJF-INIZCTEOSA-N 2 1 337.442 3.578 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866618384 1137370186 /nfs/dbraw/zinc/37/01/86/1137370186.db2.gz ZQWRGMOIMXEXBZ-BTYIYWSLSA-N 2 1 342.446 3.870 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172311844 1137546284 /nfs/dbraw/zinc/54/62/84/1137546284.db2.gz ZHBQCRZXQJKVFC-JRGCBEDISA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172311844 1137546286 /nfs/dbraw/zinc/54/62/86/1137546286.db2.gz ZHBQCRZXQJKVFC-JRGCBEDISA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172311844 1137546288 /nfs/dbraw/zinc/54/62/88/1137546288.db2.gz ZHBQCRZXQJKVFC-JRGCBEDISA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172289822 1137548238 /nfs/dbraw/zinc/54/82/38/1137548238.db2.gz IQKYZSQYJODQHY-CVDCTZTESA-N 2 1 347.506 3.991 20 30 EHEDMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000871782809 1137558136 /nfs/dbraw/zinc/55/81/36/1137558136.db2.gz ZCESQFQFNFFMAT-INIZCTEOSA-N 2 1 346.862 3.865 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000883164794 1137846774 /nfs/dbraw/zinc/84/67/74/1137846774.db2.gz OHGVCSVYVBXVSK-LEWJYISDSA-N 2 1 328.500 3.754 20 30 EHEDMP C=C(Br)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000717492101 1138246379 /nfs/dbraw/zinc/24/63/79/1138246379.db2.gz BEKSOHXVLBAXJA-UHFFFAOYSA-N 2 1 337.305 3.739 20 30 EHEDMP C=C(Br)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717492101 1138246381 /nfs/dbraw/zinc/24/63/81/1138246381.db2.gz BEKSOHXVLBAXJA-UHFFFAOYSA-N 2 1 337.305 3.739 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC[C@H](C#N)CCC#N)cc2)C1 ZINC000549193834 1017591533 /nfs/dbraw/zinc/59/15/33/1017591533.db2.gz ASNUWEFUCZELLX-UEXGIBASSA-N 2 1 338.499 3.698 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)C1 ZINC000549193834 1017591540 /nfs/dbraw/zinc/59/15/40/1017591540.db2.gz ASNUWEFUCZELLX-UEXGIBASSA-N 2 1 338.499 3.698 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)C1 ZINC000549193834 1017591549 /nfs/dbraw/zinc/59/15/49/1017591549.db2.gz ASNUWEFUCZELLX-UEXGIBASSA-N 2 1 338.499 3.698 20 30 EHEDMP CCCn1ccnc1CCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000191487220 1024339438 /nfs/dbraw/zinc/33/94/38/1024339438.db2.gz UBCUXBSCAMMXSW-UHFFFAOYSA-N 2 1 329.875 3.863 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000191487220 1024339454 /nfs/dbraw/zinc/33/94/54/1024339454.db2.gz UBCUXBSCAMMXSW-UHFFFAOYSA-N 2 1 329.875 3.863 20 30 EHEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187707278 1024387013 /nfs/dbraw/zinc/38/70/13/1024387013.db2.gz VVNYOORJVUNUAI-SFHVURJKSA-N 2 1 343.515 3.690 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015603 1024781179 /nfs/dbraw/zinc/78/11/79/1024781179.db2.gz BWRJDQYEPQLRAT-GCJKJVERSA-N 2 1 333.479 3.753 20 30 EHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000425533075 1025663084 /nfs/dbraw/zinc/66/30/84/1025663084.db2.gz KECOUHABZUOSTE-SFHVURJKSA-N 2 1 349.478 3.583 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000611586676 1025901263 /nfs/dbraw/zinc/90/12/63/1025901263.db2.gz GTUNYTZDEZURHI-XPWALMASSA-N 2 1 345.490 3.949 20 30 EHEDMP N#CCSCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159170067 1026512149 /nfs/dbraw/zinc/51/21/49/1026512149.db2.gz DEEXAXGBDXSLFF-UXHICEINSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159170067 1026512154 /nfs/dbraw/zinc/51/21/54/1026512154.db2.gz DEEXAXGBDXSLFF-UXHICEINSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159170067 1026512159 /nfs/dbraw/zinc/51/21/59/1026512159.db2.gz DEEXAXGBDXSLFF-UXHICEINSA-N 2 1 343.540 3.620 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000421330807 1028274482 /nfs/dbraw/zinc/27/44/82/1028274482.db2.gz YPTZJUWNENRGND-INIZCTEOSA-N 2 1 343.471 3.761 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000421330807 1028274496 /nfs/dbraw/zinc/27/44/96/1028274496.db2.gz YPTZJUWNENRGND-INIZCTEOSA-N 2 1 343.471 3.761 20 30 EHEDMP N#Cc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000366965607 1028463822 /nfs/dbraw/zinc/46/38/22/1028463822.db2.gz GPEZCPQHNVISBT-WBDAEOGXSA-N 2 1 345.490 3.886 20 30 EHEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000092165637 1030394758 /nfs/dbraw/zinc/39/47/58/1030394758.db2.gz MEOOCYLDSUIZAW-UHFFFAOYSA-N 2 1 332.488 3.566 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000092165637 1030394767 /nfs/dbraw/zinc/39/47/67/1030394767.db2.gz MEOOCYLDSUIZAW-UHFFFAOYSA-N 2 1 332.488 3.566 20 30 EHEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659992 1030648941 /nfs/dbraw/zinc/64/89/41/1030648941.db2.gz XOQGHGNCCXOWTE-LJQANCHMSA-N 2 1 329.488 3.675 20 30 EHEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659992 1030648946 /nfs/dbraw/zinc/64/89/46/1030648946.db2.gz XOQGHGNCCXOWTE-LJQANCHMSA-N 2 1 329.488 3.675 20 30 EHEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659992 1030648959 /nfs/dbraw/zinc/64/89/59/1030648959.db2.gz XOQGHGNCCXOWTE-LJQANCHMSA-N 2 1 329.488 3.675 20 30 EHEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659992 1030648964 /nfs/dbraw/zinc/64/89/64/1030648964.db2.gz XOQGHGNCCXOWTE-LJQANCHMSA-N 2 1 329.488 3.675 20 30 EHEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000093844478 1030682722 /nfs/dbraw/zinc/68/27/22/1030682722.db2.gz LILNCBAZDWTSHM-HDICACEKSA-N 2 1 335.536 3.528 20 30 EHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000609030013 1033983603 /nfs/dbraw/zinc/98/36/03/1033983603.db2.gz SFTVWIKUBYIZGF-UHFFFAOYSA-N 2 1 333.479 3.902 20 30 EHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1F ZINC000599660304 1034092999 /nfs/dbraw/zinc/09/29/99/1034092999.db2.gz MJWYLOPDZQVUIB-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1F ZINC000599660304 1034093019 /nfs/dbraw/zinc/09/30/19/1034093019.db2.gz MJWYLOPDZQVUIB-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596991059 1034495001 /nfs/dbraw/zinc/49/50/01/1034495001.db2.gz HWVBPGZZTDHKKJ-UHFFFAOYSA-N 2 1 325.500 3.794 20 30 EHEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978749 1036156757 /nfs/dbraw/zinc/15/67/57/1036156757.db2.gz LQJDVLYVTODQIX-GOSISDBHSA-N 2 1 339.508 3.930 20 30 EHEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978749 1036156765 /nfs/dbraw/zinc/15/67/65/1036156765.db2.gz LQJDVLYVTODQIX-GOSISDBHSA-N 2 1 339.508 3.930 20 30 EHEDMP N#Cc1ccccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386062813 1036493944 /nfs/dbraw/zinc/49/39/44/1036493944.db2.gz DUFZKOQFOLHRGC-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000157388883 1037501302 /nfs/dbraw/zinc/50/13/02/1037501302.db2.gz QBJPUEKVEZNVFM-QGZVFWFLSA-N 2 1 346.519 3.568 20 30 EHEDMP C[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000552275784 1039149754 /nfs/dbraw/zinc/14/97/54/1039149754.db2.gz ADFSKKDROFIOTK-BZSNNMDCSA-N 2 1 336.401 3.519 20 30 EHEDMP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488425949 1039162544 /nfs/dbraw/zinc/16/25/44/1039162544.db2.gz HAHUFEMGDDLQHJ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488425949 1039162553 /nfs/dbraw/zinc/16/25/53/1039162553.db2.gz HAHUFEMGDDLQHJ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488425949 1039162561 /nfs/dbraw/zinc/16/25/61/1039162561.db2.gz HAHUFEMGDDLQHJ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488425949 1039162568 /nfs/dbraw/zinc/16/25/68/1039162568.db2.gz HAHUFEMGDDLQHJ-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP C=CCCC[C@@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449703 1039184910 /nfs/dbraw/zinc/18/49/10/1039184910.db2.gz KHIHWRUJISRVCJ-IFMALSPDSA-N 2 1 341.543 3.623 20 30 EHEDMP N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060922 1040898389 /nfs/dbraw/zinc/89/83/89/1040898389.db2.gz LOTQVODUYROQON-FQEVSTJZSA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060922 1040898403 /nfs/dbraw/zinc/89/84/03/1040898403.db2.gz LOTQVODUYROQON-FQEVSTJZSA-N 2 1 341.499 3.525 20 30 EHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825660 1042955312 /nfs/dbraw/zinc/95/53/12/1042955312.db2.gz SJWIGUCLWSPFNM-CTNGQTDRSA-N 2 1 349.563 3.530 20 30 EHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000623363197 1126930570 /nfs/dbraw/zinc/93/05/70/1126930570.db2.gz FKSOOVIDBPHVTN-UHFFFAOYSA-N 2 1 349.862 3.598 20 30 EHEDMP C[N@H+]1CCC[C@@H](CNCc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775563 1128751057 /nfs/dbraw/zinc/75/10/57/1128751057.db2.gz GDLAPCTWXKCOOQ-WMLDXEAASA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775563 1128751062 /nfs/dbraw/zinc/75/10/62/1128751062.db2.gz GDLAPCTWXKCOOQ-WMLDXEAASA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775563 1128751065 /nfs/dbraw/zinc/75/10/65/1128751065.db2.gz GDLAPCTWXKCOOQ-WMLDXEAASA-N 2 1 331.510 3.854 20 30 EHEDMP C[NH+](C)CCC[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000554875877 1128758538 /nfs/dbraw/zinc/75/85/38/1128758538.db2.gz WEZDHHXAYFWZLL-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000554875877 1128758540 /nfs/dbraw/zinc/75/85/40/1128758540.db2.gz WEZDHHXAYFWZLL-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000733610171 1131060633 /nfs/dbraw/zinc/06/06/33/1131060633.db2.gz OQMDLOKBLZRLLS-UHFFFAOYSA-N 2 1 329.488 3.533 20 30 EHEDMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931540 1131909983 /nfs/dbraw/zinc/90/99/83/1131909983.db2.gz UZLMMZUQVPPLPE-XRXFAXGQSA-N 2 1 341.499 3.588 20 30 EHEDMP CC(C)C[N@H+](CCC#N)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000768153889 1133102632 /nfs/dbraw/zinc/10/26/32/1133102632.db2.gz OLWLONLAWVJSJI-UHFFFAOYSA-N 2 1 329.488 3.533 20 30 EHEDMP CC(C)C[N@@H+](CCC#N)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000768153889 1133102633 /nfs/dbraw/zinc/10/26/33/1133102633.db2.gz OLWLONLAWVJSJI-UHFFFAOYSA-N 2 1 329.488 3.533 20 30 EHEDMP C=CCn1ccc2c1nc[nH+]c2NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170453036 1135087159 /nfs/dbraw/zinc/08/71/59/1135087159.db2.gz GZNRQMNTKFZABO-UHFFFAOYSA-N 2 1 327.476 3.681 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000815652909 1136626819 /nfs/dbraw/zinc/62/68/19/1136626819.db2.gz ZYRMRZRBFAAQKA-AWEZNQCLSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000815652909 1136626820 /nfs/dbraw/zinc/62/68/20/1136626820.db2.gz ZYRMRZRBFAAQKA-AWEZNQCLSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000815652662 1136626854 /nfs/dbraw/zinc/62/68/54/1136626854.db2.gz MAQLRPBXGNGIAW-SFHVURJKSA-N 2 1 336.479 3.968 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000815652662 1136626855 /nfs/dbraw/zinc/62/68/55/1136626855.db2.gz MAQLRPBXGNGIAW-SFHVURJKSA-N 2 1 336.479 3.968 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001171221116 1137346926 /nfs/dbraw/zinc/34/69/26/1137346926.db2.gz IJCOSICWOWWARK-GHTZIAJQSA-N 2 1 325.500 3.830 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172290377 1137548033 /nfs/dbraw/zinc/54/80/33/1137548033.db2.gz AUFCQSFHHYCESI-GOSISDBHSA-N 2 1 333.479 3.743 20 30 EHEDMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876943574 1137665835 /nfs/dbraw/zinc/66/58/35/1137665835.db2.gz SLLHXKQGVWOSNS-UHFFFAOYSA-N 2 1 342.874 3.738 20 30 EHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1 ZINC000092821078 1138232127 /nfs/dbraw/zinc/23/21/27/1138232127.db2.gz CCJYEDYEQQLRGC-UHFFFAOYSA-N 2 1 334.467 3.692 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102237 1138728849 /nfs/dbraw/zinc/72/88/49/1138728849.db2.gz XWQHPRJKCUSASR-ICSRJNTNSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102237 1138728852 /nfs/dbraw/zinc/72/88/52/1138728852.db2.gz XWQHPRJKCUSASR-ICSRJNTNSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102237 1138728855 /nfs/dbraw/zinc/72/88/55/1138728855.db2.gz XWQHPRJKCUSASR-ICSRJNTNSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102237 1138728859 /nfs/dbraw/zinc/72/88/59/1138728859.db2.gz XWQHPRJKCUSASR-ICSRJNTNSA-N 2 1 341.499 3.675 20 30 EHEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154995 1139196508 /nfs/dbraw/zinc/19/65/08/1139196508.db2.gz SBJRNYWPUGPMCF-SFHVURJKSA-N 2 1 340.471 3.967 20 30 EHEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266966808 1140745107 /nfs/dbraw/zinc/74/51/07/1140745107.db2.gz BUSSCRARGWJNGS-MRXNPFEDSA-N 2 1 338.455 3.547 20 30 EHEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000520293969 1022111929 /nfs/dbraw/zinc/11/19/29/1022111929.db2.gz MHWIQXCMLMWXIJ-QHCPKHFHSA-N 2 1 345.490 3.842 20 30 EHEDMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1C#N ZINC000434666363 1024279556 /nfs/dbraw/zinc/27/95/56/1024279556.db2.gz PYSAMNVQYXAYKM-UHFFFAOYSA-N 2 1 334.467 3.779 20 30 EHEDMP C=CC[N@H+](CCc1ccccc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346131358 1024434093 /nfs/dbraw/zinc/43/40/93/1024434093.db2.gz AWNRJZFJDNJNNO-UHFFFAOYSA-N 2 1 332.451 3.806 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000106246352 1024564563 /nfs/dbraw/zinc/56/45/63/1024564563.db2.gz BJDWJHKQYOPSBD-UHFFFAOYSA-N 2 1 332.488 3.613 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000106246352 1024564576 /nfs/dbraw/zinc/56/45/76/1024564576.db2.gz BJDWJHKQYOPSBD-UHFFFAOYSA-N 2 1 332.488 3.613 20 30 EHEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544369658 1025903593 /nfs/dbraw/zinc/90/35/93/1025903593.db2.gz IRHOPIIRYCJCOF-UHFFFAOYSA-N 2 1 343.434 3.612 20 30 EHEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544369658 1025903613 /nfs/dbraw/zinc/90/36/13/1025903613.db2.gz IRHOPIIRYCJCOF-UHFFFAOYSA-N 2 1 343.434 3.612 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000421865919 1028861340 /nfs/dbraw/zinc/86/13/40/1028861340.db2.gz ARXZQBZGOCSOGP-NNZMDNLPSA-N 2 1 337.492 3.905 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000421865919 1028861353 /nfs/dbraw/zinc/86/13/53/1028861353.db2.gz ARXZQBZGOCSOGP-NNZMDNLPSA-N 2 1 337.492 3.905 20 30 EHEDMP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000192049952 1029469427 /nfs/dbraw/zinc/46/94/27/1029469427.db2.gz LKUKFWHZSHTFQX-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000192049952 1029469431 /nfs/dbraw/zinc/46/94/31/1029469431.db2.gz LKUKFWHZSHTFQX-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192049952 1029469435 /nfs/dbraw/zinc/46/94/35/1029469435.db2.gz LKUKFWHZSHTFQX-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192049952 1029469441 /nfs/dbraw/zinc/46/94/41/1029469441.db2.gz LKUKFWHZSHTFQX-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483595145 1031233733 /nfs/dbraw/zinc/23/37/33/1031233733.db2.gz SLGMZSKJYKOYAW-UHFFFAOYSA-N 2 1 332.491 3.882 20 30 EHEDMP C=CCCSCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000594960145 1033601278 /nfs/dbraw/zinc/60/12/78/1033601278.db2.gz KXAGWLPHJMHTNI-UHFFFAOYSA-N 2 1 336.520 3.732 20 30 EHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095920 1033702811 /nfs/dbraw/zinc/70/28/11/1033702811.db2.gz TUZGWDHEKQTFLO-NJDAHSKKSA-N 2 1 337.511 3.961 20 30 EHEDMP N#CC1(c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031152 1034505263 /nfs/dbraw/zinc/50/52/63/1034505263.db2.gz VQHPRYUGBGNDQY-NQIIRXRSSA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031152 1034505278 /nfs/dbraw/zinc/50/52/78/1034505278.db2.gz VQHPRYUGBGNDQY-NQIIRXRSSA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031152 1034505288 /nfs/dbraw/zinc/50/52/88/1034505288.db2.gz VQHPRYUGBGNDQY-NQIIRXRSSA-N 2 1 335.495 3.690 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964677 1035536905 /nfs/dbraw/zinc/53/69/05/1035536905.db2.gz SJMBCSNADLFKIX-OAHLLOKOSA-N 2 1 325.431 4.000 20 30 EHEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311062417 1036949539 /nfs/dbraw/zinc/94/95/39/1036949539.db2.gz XKDOXGQBKCXXDZ-FQEVSTJZSA-N 2 1 336.479 3.863 20 30 EHEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311062417 1036949564 /nfs/dbraw/zinc/94/95/64/1036949564.db2.gz XKDOXGQBKCXXDZ-FQEVSTJZSA-N 2 1 336.479 3.863 20 30 EHEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000574004948 1037970272 /nfs/dbraw/zinc/97/02/72/1037970272.db2.gz ANVUIVLQYYUQFS-CQSZACIVSA-N 2 1 339.405 3.789 20 30 EHEDMP C[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000552275785 1039150263 /nfs/dbraw/zinc/15/02/63/1039150263.db2.gz ADFSKKDROFIOTK-FGTMMUONSA-N 2 1 336.401 3.519 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1C#N ZINC000486677341 1040342365 /nfs/dbraw/zinc/34/23/65/1040342365.db2.gz PIQGBFAZOWHQNH-HXUWFJFHSA-N 2 1 325.500 3.811 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1C#N ZINC000486677341 1040342377 /nfs/dbraw/zinc/34/23/77/1040342377.db2.gz PIQGBFAZOWHQNH-HXUWFJFHSA-N 2 1 325.500 3.811 20 30 EHEDMP C=C(CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000344134750 1043309054 /nfs/dbraw/zinc/30/90/54/1043309054.db2.gz ZITBXYCMQCPSFS-UHFFFAOYSA-N 2 1 327.497 3.713 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700132 1126987179 /nfs/dbraw/zinc/98/71/79/1126987179.db2.gz KOVHOQWBNSGUQF-SJLPKXTDSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700132 1126987180 /nfs/dbraw/zinc/98/71/80/1126987180.db2.gz KOVHOQWBNSGUQF-SJLPKXTDSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404091538 1128676787 /nfs/dbraw/zinc/67/67/87/1128676787.db2.gz WTHJLBROQOYWLC-OXJNMPFZSA-N 2 1 337.442 3.840 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091538 1128676790 /nfs/dbraw/zinc/67/67/90/1128676790.db2.gz WTHJLBROQOYWLC-OXJNMPFZSA-N 2 1 337.442 3.840 20 30 EHEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000609495308 1123592240 /nfs/dbraw/zinc/59/22/40/1123592240.db2.gz RFKDKLNWDAWZGD-UHFFFAOYSA-N 2 1 342.446 3.819 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000237695516 1123819622 /nfs/dbraw/zinc/81/96/22/1123819622.db2.gz BZCXWVQCLBUUOR-SFHVURJKSA-N 2 1 337.467 3.589 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000152947776 1125405343 /nfs/dbraw/zinc/40/53/43/1125405343.db2.gz GLIJFKXVZDFAFW-HNNXBMFYSA-N 2 1 349.906 3.687 20 30 EHEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000068353050 1129363695 /nfs/dbraw/zinc/36/36/95/1129363695.db2.gz KXCQRCXCDCBMDY-KRWDZBQOSA-N 2 1 337.467 3.567 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000390743512 1129631591 /nfs/dbraw/zinc/63/15/91/1129631591.db2.gz SREKEAQEMNLDBV-NRFANRHFSA-N 2 1 333.479 3.949 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000390743512 1129631593 /nfs/dbraw/zinc/63/15/93/1129631593.db2.gz SREKEAQEMNLDBV-NRFANRHFSA-N 2 1 333.479 3.949 20 30 EHEDMP C=CC[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](CC=C)C3)c2)C1 ZINC000625701031 1129985845 /nfs/dbraw/zinc/98/58/45/1129985845.db2.gz GKONBKQIYJKMOH-RTBURBONSA-N 2 1 325.500 3.878 20 30 EHEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001172493743 1131757922 /nfs/dbraw/zinc/75/79/22/1131757922.db2.gz COANFORBQFLPJJ-SFHVURJKSA-N 2 1 340.515 3.840 20 30 EHEDMP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507046 1131764017 /nfs/dbraw/zinc/76/40/17/1131764017.db2.gz OCPMPZHPFNVUNK-ZFMNYDKASA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507046 1131764024 /nfs/dbraw/zinc/76/40/24/1131764024.db2.gz OCPMPZHPFNVUNK-ZFMNYDKASA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507046 1131764034 /nfs/dbraw/zinc/76/40/34/1131764034.db2.gz OCPMPZHPFNVUNK-ZFMNYDKASA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507046 1131764044 /nfs/dbraw/zinc/76/40/44/1131764044.db2.gz OCPMPZHPFNVUNK-ZFMNYDKASA-N 2 1 340.515 3.696 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001182110172 1133574058 /nfs/dbraw/zinc/57/40/58/1133574058.db2.gz YZJXQZVJHXUIEH-HNNXBMFYSA-N 2 1 326.406 3.571 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001182110172 1133574062 /nfs/dbraw/zinc/57/40/62/1133574062.db2.gz YZJXQZVJHXUIEH-HNNXBMFYSA-N 2 1 326.406 3.571 20 30 EHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCOc1ccc(C#N)cc1 ZINC001197285424 1135673379 /nfs/dbraw/zinc/67/33/79/1135673379.db2.gz QDARHTBBIMKCDD-UHFFFAOYSA-N 2 1 329.488 3.525 20 30 EHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001172124655 1137535176 /nfs/dbraw/zinc/53/51/76/1137535176.db2.gz MVHKGQZGMTVQTJ-ZBYYUNFXSA-N 2 1 337.511 3.828 20 30 EHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001172124655 1137535179 /nfs/dbraw/zinc/53/51/79/1137535179.db2.gz MVHKGQZGMTVQTJ-ZBYYUNFXSA-N 2 1 337.511 3.828 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883187556 1137847592 /nfs/dbraw/zinc/84/75/92/1137847592.db2.gz QBXGUKXGJRIHJF-NRFANRHFSA-N 2 1 346.490 3.924 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886635123 1138104085 /nfs/dbraw/zinc/10/40/85/1138104085.db2.gz WDORZVWXRAFCFR-ZRBLBEILSA-N 2 1 345.490 3.743 20 30 EHEDMP C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904527096 1032098387 /nfs/dbraw/zinc/09/83/87/1032098387.db2.gz LRGPIOKKJNMPNU-KRWDZBQOSA-N 2 1 326.444 3.689 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729981 1032435259 /nfs/dbraw/zinc/43/52/59/1032435259.db2.gz LEVFRCDIDZSEFR-SLFFLAALSA-N 2 1 325.500 3.817 20 30 EHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602005996 1032591279 /nfs/dbraw/zinc/59/12/79/1032591279.db2.gz JBFFQAHENMRIRO-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602005996 1032591286 /nfs/dbraw/zinc/59/12/86/1032591286.db2.gz JBFFQAHENMRIRO-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535976 1032968439 /nfs/dbraw/zinc/96/84/39/1032968439.db2.gz UIWKWMPMPSACMO-ICSRJNTNSA-N 2 1 347.547 3.720 20 30 EHEDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000178176915 1021933524 /nfs/dbraw/zinc/93/35/24/1021933524.db2.gz BTGNCKFGJQTTJO-GOSISDBHSA-N 2 1 333.479 3.916 20 30 EHEDMP Cc1ccc(-n2ccnc2)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000329891040 1024237644 /nfs/dbraw/zinc/23/76/44/1024237644.db2.gz HGHFKHBCYYWMMC-ALOPSCKCSA-N 2 1 338.455 3.501 20 30 EHEDMP C=CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468241 /nfs/dbraw/zinc/46/82/41/1024468241.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 2 1 341.543 3.668 20 30 EHEDMP C=CC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468245 /nfs/dbraw/zinc/46/82/45/1024468245.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 2 1 341.543 3.668 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468253 /nfs/dbraw/zinc/46/82/53/1024468253.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 2 1 341.543 3.668 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468269 /nfs/dbraw/zinc/46/82/69/1024468269.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 2 1 341.543 3.668 20 30 EHEDMP C[C@@H](CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982714 1033285088 /nfs/dbraw/zinc/28/50/88/1033285088.db2.gz XENCSWUWPUNHIX-USYVTKNRSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@H](CC[NH+](C)[C@@H]1CCC[C@H]1C#N)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982714 1033285094 /nfs/dbraw/zinc/28/50/94/1033285094.db2.gz XENCSWUWPUNHIX-USYVTKNRSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@H](CC[NH+](C)[C@@H]1CCC[C@H]1C#N)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982714 1033285103 /nfs/dbraw/zinc/28/51/03/1033285103.db2.gz XENCSWUWPUNHIX-USYVTKNRSA-N 2 1 330.520 3.651 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538264 1027684544 /nfs/dbraw/zinc/68/45/44/1027684544.db2.gz FORUFPXQGFQKFA-LJQANCHMSA-N 2 1 328.500 3.690 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183690175 1029106628 /nfs/dbraw/zinc/10/66/28/1029106628.db2.gz MWDFUZPYWGLVRE-HNNXBMFYSA-N 2 1 346.434 3.912 20 30 EHEDMP C[N@@H+](CCCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000453604323 1030394046 /nfs/dbraw/zinc/39/40/46/1030394046.db2.gz ZFCXTSIDADHCKW-UHFFFAOYSA-N 2 1 325.378 3.541 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323753 1033742181 /nfs/dbraw/zinc/74/21/81/1033742181.db2.gz OPENWRJYUGPWIR-RXVVDRJESA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323753 1033742195 /nfs/dbraw/zinc/74/21/95/1033742195.db2.gz OPENWRJYUGPWIR-RXVVDRJESA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323753 1033742204 /nfs/dbraw/zinc/74/22/04/1033742204.db2.gz OPENWRJYUGPWIR-RXVVDRJESA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192929775 1036567092 /nfs/dbraw/zinc/56/70/92/1036567092.db2.gz FQWQWNMCYKTBPE-NQIIRXRSSA-N 2 1 349.478 3.589 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272147086 1037105429 /nfs/dbraw/zinc/10/54/29/1037105429.db2.gz CQLNCIWUSFERCE-OXJNMPFZSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272147086 1037105440 /nfs/dbraw/zinc/10/54/40/1037105440.db2.gz CQLNCIWUSFERCE-OXJNMPFZSA-N 2 1 337.442 3.698 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468649201 1038230300 /nfs/dbraw/zinc/23/03/00/1038230300.db2.gz BDWVCCOWRAHNPS-WJDWOHSUSA-N 2 1 329.444 3.628 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237500381 1039304728 /nfs/dbraw/zinc/30/47/28/1039304728.db2.gz XWGYJRHGIVTSFA-ZWKOTPCHSA-N 2 1 329.488 3.722 20 30 EHEDMP C=CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000668551398 1039575732 /nfs/dbraw/zinc/57/57/32/1039575732.db2.gz MBWOJVAIGCNUMF-HXUWFJFHSA-N 2 1 340.511 3.899 20 30 EHEDMP C=CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000668551398 1039575749 /nfs/dbraw/zinc/57/57/49/1039575749.db2.gz MBWOJVAIGCNUMF-HXUWFJFHSA-N 2 1 340.511 3.899 20 30 EHEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169086 1040339473 /nfs/dbraw/zinc/33/94/73/1040339473.db2.gz SHOUVGBTZPJABN-LJQANCHMSA-N 2 1 325.500 3.651 20 30 EHEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169086 1040339489 /nfs/dbraw/zinc/33/94/89/1040339489.db2.gz SHOUVGBTZPJABN-LJQANCHMSA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169086 1040339504 /nfs/dbraw/zinc/33/95/04/1040339504.db2.gz SHOUVGBTZPJABN-LJQANCHMSA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169086 1040339520 /nfs/dbraw/zinc/33/95/20/1040339520.db2.gz SHOUVGBTZPJABN-LJQANCHMSA-N 2 1 325.500 3.651 20 30 EHEDMP C=C(Br)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000763435055 1123010002 /nfs/dbraw/zinc/01/00/02/1123010002.db2.gz XEVZDKZQCLTPEE-HNNXBMFYSA-N 2 1 329.326 3.872 20 30 EHEDMP C=C(Br)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763435055 1123010006 /nfs/dbraw/zinc/01/00/06/1123010006.db2.gz XEVZDKZQCLTPEE-HNNXBMFYSA-N 2 1 329.326 3.872 20 30 EHEDMP N#CC1CCC(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000282337098 1129273050 /nfs/dbraw/zinc/27/30/50/1129273050.db2.gz OOHCJENNJMWGAU-UHFFFAOYSA-N 2 1 343.490 3.752 20 30 EHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cccc(C#N)c1 ZINC000466420723 1129439521 /nfs/dbraw/zinc/43/95/21/1129439521.db2.gz FOSVJMSCTCXPPK-UHFFFAOYSA-N 2 1 335.495 3.849 20 30 EHEDMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172495596 1131758566 /nfs/dbraw/zinc/75/85/66/1131758566.db2.gz GLHUYIDTUKHWTL-INIZCTEOSA-N 2 1 344.503 3.804 20 30 EHEDMP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C1 ZINC001199336429 1135895646 /nfs/dbraw/zinc/89/56/46/1135895646.db2.gz OIZNTKLVXCCDMK-UGKGYDQZSA-N 2 1 341.543 3.659 20 30 EHEDMP SC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076255 1137530670 /nfs/dbraw/zinc/53/06/70/1137530670.db2.gz XGXUHTUFCZYSLJ-BWTSREIZSA-N 2 1 330.541 3.966 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172307915 1137545759 /nfs/dbraw/zinc/54/57/59/1137545759.db2.gz HZDKMGCWRCYKGZ-PWHSHALESA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172307915 1137545760 /nfs/dbraw/zinc/54/57/60/1137545760.db2.gz HZDKMGCWRCYKGZ-PWHSHALESA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319102 1137546859 /nfs/dbraw/zinc/54/68/59/1137546859.db2.gz KZXIUSIECAXFPK-WMZHIEFXSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172319102 1137546861 /nfs/dbraw/zinc/54/68/61/1137546861.db2.gz KZXIUSIECAXFPK-WMZHIEFXSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172319102 1137546863 /nfs/dbraw/zinc/54/68/63/1137546863.db2.gz KZXIUSIECAXFPK-WMZHIEFXSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172289569 1137548224 /nfs/dbraw/zinc/54/82/24/1137548224.db2.gz FMUQIQFFDMRVSX-PGRDOPGGSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172300337 1137549423 /nfs/dbraw/zinc/54/94/23/1137549423.db2.gz VNBYYVKTWCVWEK-MRXNPFEDSA-N 2 1 337.442 3.578 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000886524803 1138089961 /nfs/dbraw/zinc/08/99/61/1138089961.db2.gz RDGJTSBADOUKFO-TYPHKJRUSA-N 2 1 349.453 3.840 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(F)c1 ZINC000886524803 1138089963 /nfs/dbraw/zinc/08/99/63/1138089963.db2.gz RDGJTSBADOUKFO-TYPHKJRUSA-N 2 1 349.453 3.840 20 30 EHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cccc(C#N)n1 ZINC000602515176 1032926361 /nfs/dbraw/zinc/92/63/61/1032926361.db2.gz NTTXUDDZDIGXJB-KRWDZBQOSA-N 2 1 334.467 3.617 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602515176 1032926370 /nfs/dbraw/zinc/92/63/70/1032926370.db2.gz NTTXUDDZDIGXJB-KRWDZBQOSA-N 2 1 334.467 3.617 20 30 EHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602515176 1032926376 /nfs/dbraw/zinc/92/63/76/1032926376.db2.gz NTTXUDDZDIGXJB-KRWDZBQOSA-N 2 1 334.467 3.617 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000237487059 1033093845 /nfs/dbraw/zinc/09/38/45/1033093845.db2.gz UBIQPGSINNDTCA-SFHVURJKSA-N 2 1 349.478 3.515 20 30 EHEDMP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837052 1025156838 /nfs/dbraw/zinc/15/68/38/1025156838.db2.gz BGHADJXUGPYNLD-SFTDATJTSA-N 2 1 328.500 3.612 20 30 EHEDMP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837052 1025156845 /nfs/dbraw/zinc/15/68/45/1025156845.db2.gz BGHADJXUGPYNLD-SFTDATJTSA-N 2 1 328.500 3.612 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711118 1033757403 /nfs/dbraw/zinc/75/74/03/1033757403.db2.gz RNCYGRLHPYRTGG-AEFFLSMTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711118 1033757417 /nfs/dbraw/zinc/75/74/17/1033757417.db2.gz RNCYGRLHPYRTGG-AEFFLSMTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H](CC[NH+]1CCC[C@@H](CC#N)C1)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595622890 1033905383 /nfs/dbraw/zinc/90/53/83/1033905383.db2.gz FKONODJINZBSLC-ACDBMABISA-N 2 1 330.520 3.654 20 30 EHEDMP C[C@@H](CC[NH+]1CCC[C@H](CC#N)C1)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595622890 1033905401 /nfs/dbraw/zinc/90/54/01/1033905401.db2.gz FKONODJINZBSLC-ACDBMABISA-N 2 1 330.520 3.654 20 30 EHEDMP C[C@@H](CC[NH+]1CCC[C@H](CC#N)C1)CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595622890 1033905409 /nfs/dbraw/zinc/90/54/09/1033905409.db2.gz FKONODJINZBSLC-ACDBMABISA-N 2 1 330.520 3.654 20 30 EHEDMP CC[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100482 1035424668 /nfs/dbraw/zinc/42/46/68/1035424668.db2.gz ISETZESJBBJJSJ-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[N@H+](Cc1ccc(C#N)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100482 1035424670 /nfs/dbraw/zinc/42/46/70/1035424670.db2.gz ISETZESJBBJJSJ-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100482 1035424671 /nfs/dbraw/zinc/42/46/71/1035424671.db2.gz ISETZESJBBJJSJ-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100482 1035424673 /nfs/dbraw/zinc/42/46/73/1035424673.db2.gz ISETZESJBBJJSJ-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000589350828 1036370745 /nfs/dbraw/zinc/37/07/45/1036370745.db2.gz HOIYFGUYJHHAAV-NJYVYQBISA-N 2 1 325.500 3.961 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538858129 1038579650 /nfs/dbraw/zinc/57/96/50/1038579650.db2.gz PEILRQVELZMYCL-UHFFFAOYSA-N 2 1 325.500 3.892 20 30 EHEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001167838678 1043045877 /nfs/dbraw/zinc/04/58/77/1043045877.db2.gz VWKXBKDSWSCNCD-AZUAARDMSA-N 2 1 343.515 3.912 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538348 1123080718 /nfs/dbraw/zinc/08/07/18/1123080718.db2.gz ZONILXIRRIOJBC-QZTJIDSGSA-N 2 1 329.488 3.579 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107934 1130323088 /nfs/dbraw/zinc/32/30/88/1130323088.db2.gz JIIHEMSKMQZZJU-RHSMWYFYSA-N 2 1 325.481 3.859 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184189 1130354546 /nfs/dbraw/zinc/35/45/46/1130354546.db2.gz KQMJWEHUDSGUTB-YOEHRIQHSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184189 1130354550 /nfs/dbraw/zinc/35/45/50/1130354550.db2.gz KQMJWEHUDSGUTB-YOEHRIQHSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460315 1130359232 /nfs/dbraw/zinc/35/92/32/1130359232.db2.gz VHIMSXOBLMBCPN-PKOBYXMFSA-N 2 1 325.481 3.792 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460315 1130359236 /nfs/dbraw/zinc/35/92/36/1130359236.db2.gz VHIMSXOBLMBCPN-PKOBYXMFSA-N 2 1 325.481 3.792 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506669 1131761923 /nfs/dbraw/zinc/76/19/23/1131761923.db2.gz ZAMHWTXZYXHCPS-HLAWJBBLSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506669 1131761929 /nfs/dbraw/zinc/76/19/29/1131761929.db2.gz ZAMHWTXZYXHCPS-HLAWJBBLSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506669 1131761933 /nfs/dbraw/zinc/76/19/33/1131761933.db2.gz ZAMHWTXZYXHCPS-HLAWJBBLSA-N 2 1 325.500 3.913 20 30 EHEDMP N#CCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001173327681 1132048446 /nfs/dbraw/zinc/04/84/46/1132048446.db2.gz FNZYRHATDNWRGN-JNXFOVNBSA-N 2 1 337.511 3.959 20 30 EHEDMP N#CCC1CCC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173337560 1132053017 /nfs/dbraw/zinc/05/30/17/1132053017.db2.gz OJJGDWWDXWYZSJ-UHFFFAOYSA-N 2 1 337.511 3.982 20 30 EHEDMP N#CCC1CCC([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173337560 1132053025 /nfs/dbraw/zinc/05/30/25/1132053025.db2.gz OJJGDWWDXWYZSJ-UHFFFAOYSA-N 2 1 337.511 3.982 20 30 EHEDMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337840 1132053053 /nfs/dbraw/zinc/05/30/53/1132053053.db2.gz UEXAOGHMMFUNOT-VEDCXYSMSA-N 2 1 325.500 3.913 20 30 EHEDMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337840 1132053059 /nfs/dbraw/zinc/05/30/59/1132053059.db2.gz UEXAOGHMMFUNOT-VEDCXYSMSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768926119 1133205226 /nfs/dbraw/zinc/20/52/26/1133205226.db2.gz IUIZNVDCWURIDM-UHFFFAOYSA-N 2 1 342.531 3.589 20 30 EHEDMP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)[nH]c2cc[nH+]cc23)cc1 ZINC001170983604 1137054054 /nfs/dbraw/zinc/05/40/54/1137054054.db2.gz BRVRJOBEDGOSLI-UHFFFAOYSA-N 2 1 344.374 3.540 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1 ZINC001171398346 1137471178 /nfs/dbraw/zinc/47/11/78/1137471178.db2.gz TZTYCVBCWWSOAU-PMACEKPBSA-N 2 1 349.478 3.867 20 30 EHEDMP CC1(C)C[C@H](NC(=[NH2+])c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171972772 1137524003 /nfs/dbraw/zinc/52/40/03/1137524003.db2.gz SJPSRNKBQFEOCW-HXUWFJFHSA-N 2 1 346.478 3.707 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172307927 1137545613 /nfs/dbraw/zinc/54/56/13/1137545613.db2.gz RCIQOSQASBKHFL-NQIIRXRSSA-N 2 1 325.500 3.830 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883167862 1137846965 /nfs/dbraw/zinc/84/69/65/1137846965.db2.gz JOPGRDAVPGKAMU-FPOVZHCZSA-N 2 1 326.484 3.541 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190771274 1140417875 /nfs/dbraw/zinc/41/78/75/1140417875.db2.gz ROQAAIIPULCYFX-QGZVFWFLSA-N 2 1 336.483 3.561 20 30 EHEDMP CC(C)(C#N)CC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705683303 1016163752 /nfs/dbraw/zinc/16/37/52/1016163752.db2.gz DOVSDXUBWXPSGM-SFTDATJTSA-N 2 1 325.500 3.770 20 30 EHEDMP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177693120 1018522184 /nfs/dbraw/zinc/52/21/84/1018522184.db2.gz XJEKZYNSHNLUHA-AWEZNQCLSA-N 2 1 331.510 3.683 20 30 EHEDMP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000177693120 1018522192 /nfs/dbraw/zinc/52/21/92/1018522192.db2.gz XJEKZYNSHNLUHA-AWEZNQCLSA-N 2 1 331.510 3.683 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000398046448 1018959130 /nfs/dbraw/zinc/95/91/30/1018959130.db2.gz VWBDRCQMGFVZDP-IIBYNOLFSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000398046448 1018959143 /nfs/dbraw/zinc/95/91/43/1018959143.db2.gz VWBDRCQMGFVZDP-IIBYNOLFSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000506475363 1023234135 /nfs/dbraw/zinc/23/41/35/1023234135.db2.gz VUOAPJPWLMZUQF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475363 1023234140 /nfs/dbraw/zinc/23/41/40/1023234140.db2.gz VUOAPJPWLMZUQF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475363 1023234145 /nfs/dbraw/zinc/23/41/45/1023234145.db2.gz VUOAPJPWLMZUQF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475363 1023234153 /nfs/dbraw/zinc/23/41/53/1023234153.db2.gz VUOAPJPWLMZUQF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475363 1023234157 /nfs/dbraw/zinc/23/41/57/1023234157.db2.gz VUOAPJPWLMZUQF-ICSRJNTNSA-N 2 1 341.499 3.523 20 30 EHEDMP N#Cc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccc1F ZINC000610719248 1023343509 /nfs/dbraw/zinc/34/35/09/1023343509.db2.gz DVWSQRWZLPDGBZ-UHFFFAOYSA-N 2 1 329.463 3.785 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000276974356 1023510696 /nfs/dbraw/zinc/51/06/96/1023510696.db2.gz QNCTVXGQDAQIJL-QGZVFWFLSA-N 2 1 336.483 3.561 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280905139 1024417496 /nfs/dbraw/zinc/41/74/96/1024417496.db2.gz OQKYFJGROQMKFM-DLBZAZTESA-N 2 1 346.515 3.826 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(OCCC)c(OC)c2)CC1 ZINC000106245598 1024564850 /nfs/dbraw/zinc/56/48/50/1024564850.db2.gz BDNQXEHJNJNDFZ-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCC)c(OC)c2)CC1 ZINC000106245598 1024564862 /nfs/dbraw/zinc/56/48/62/1024564862.db2.gz BDNQXEHJNJNDFZ-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740580 1024778488 /nfs/dbraw/zinc/77/84/88/1024778488.db2.gz WSKPPCUOLATHBN-GBESFXJTSA-N 2 1 343.515 3.667 20 30 EHEDMP C[C@@H](CCC#N)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740580 1024778495 /nfs/dbraw/zinc/77/84/95/1024778495.db2.gz WSKPPCUOLATHBN-GBESFXJTSA-N 2 1 343.515 3.667 20 30 EHEDMP C[C@@H](CCC#N)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740580 1024778510 /nfs/dbraw/zinc/77/85/10/1024778510.db2.gz WSKPPCUOLATHBN-GBESFXJTSA-N 2 1 343.515 3.667 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015607 1024779619 /nfs/dbraw/zinc/77/96/19/1024779619.db2.gz BWRJDQYEPQLRAT-XMSQKQJNSA-N 2 1 333.479 3.753 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000611586675 1025900949 /nfs/dbraw/zinc/90/09/49/1025900949.db2.gz GTUNYTZDEZURHI-RJGXRXQPSA-N 2 1 345.490 3.949 20 30 EHEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475222845 1026400077 /nfs/dbraw/zinc/40/00/77/1026400077.db2.gz DGNLRDZZZLROOS-OAQYLSRUSA-N 2 1 336.479 3.863 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC000502986479 1028927898 /nfs/dbraw/zinc/92/78/98/1028927898.db2.gz IBAYRAKAEAXTKD-UHFFFAOYSA-N 2 1 337.305 3.888 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000594498205 1033399938 /nfs/dbraw/zinc/39/99/38/1033399938.db2.gz OKGRIHDLYLCHOP-UHFFFAOYSA-N 2 1 325.500 3.984 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000180152681 1035851968 /nfs/dbraw/zinc/85/19/68/1035851968.db2.gz ONGRNXYUKCUXPO-SEJPIABJSA-N 2 1 349.453 3.983 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000180152681 1035851987 /nfs/dbraw/zinc/85/19/87/1035851987.db2.gz ONGRNXYUKCUXPO-SEJPIABJSA-N 2 1 349.453 3.983 20 30 EHEDMP CCCC[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236760209 1042409479 /nfs/dbraw/zinc/40/94/79/1042409479.db2.gz FVTRKGIEECGPCO-UHFFFAOYSA-N 2 1 329.488 3.723 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207004 1128071105 /nfs/dbraw/zinc/07/11/05/1128071105.db2.gz HEFTXHORVNLCLC-OXKPJDFFSA-N 2 1 325.500 3.817 20 30 EHEDMP Cc1cc(C#N)ccc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186246316 1128357273 /nfs/dbraw/zinc/35/72/73/1128357273.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186246316 1128357277 /nfs/dbraw/zinc/35/72/77/1128357277.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186246316 1128357282 /nfs/dbraw/zinc/35/72/82/1128357282.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404091529 1128676699 /nfs/dbraw/zinc/67/66/99/1128676699.db2.gz WTHJLBROQOYWLC-JXFKEZNVSA-N 2 1 337.442 3.840 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091529 1128676700 /nfs/dbraw/zinc/67/67/00/1128676700.db2.gz WTHJLBROQOYWLC-JXFKEZNVSA-N 2 1 337.442 3.840 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1csc(C#N)c1 ZINC000921816558 1128785027 /nfs/dbraw/zinc/78/50/27/1128785027.db2.gz PPPIYOLHFWNQPW-DNVCBOLYSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921816558 1128785029 /nfs/dbraw/zinc/78/50/29/1128785029.db2.gz PPPIYOLHFWNQPW-DNVCBOLYSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1csc(C#N)c1 ZINC000921816550 1128785344 /nfs/dbraw/zinc/78/53/44/1128785344.db2.gz PPPIYOLHFWNQPW-BEFAXECRSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921816550 1128785349 /nfs/dbraw/zinc/78/53/49/1128785349.db2.gz PPPIYOLHFWNQPW-BEFAXECRSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1csc(C#N)c1 ZINC000921816567 1128785518 /nfs/dbraw/zinc/78/55/18/1128785518.db2.gz PPPIYOLHFWNQPW-KXBFYZLASA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921816567 1128785520 /nfs/dbraw/zinc/78/55/20/1128785520.db2.gz PPPIYOLHFWNQPW-KXBFYZLASA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1CCCNCc1cccc(OCCCC#N)c1 ZINC000237675556 1123805671 /nfs/dbraw/zinc/80/56/71/1123805671.db2.gz QEDRIUJKLIIAPR-GOSISDBHSA-N 2 1 329.488 3.723 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237675556 1123805675 /nfs/dbraw/zinc/80/56/75/1123805675.db2.gz QEDRIUJKLIIAPR-GOSISDBHSA-N 2 1 329.488 3.723 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237675556 1123805676 /nfs/dbraw/zinc/80/56/76/1123805676.db2.gz QEDRIUJKLIIAPR-GOSISDBHSA-N 2 1 329.488 3.723 20 30 EHEDMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831812 1130175478 /nfs/dbraw/zinc/17/54/78/1130175478.db2.gz SOAAKSIRBHTUBT-GHTZIAJQSA-N 2 1 333.479 3.867 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107936 1130323041 /nfs/dbraw/zinc/32/30/41/1130323041.db2.gz JIIHEMSKMQZZJU-YOEHRIQHSA-N 2 1 325.481 3.859 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460511 1130359077 /nfs/dbraw/zinc/35/90/77/1130359077.db2.gz WEJXFFPUGALSEE-IEBWSBKVSA-N 2 1 325.481 3.792 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000174460511 1130359082 /nfs/dbraw/zinc/35/90/82/1130359082.db2.gz WEJXFFPUGALSEE-IEBWSBKVSA-N 2 1 325.481 3.792 20 30 EHEDMP C#CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324643 1131025164 /nfs/dbraw/zinc/02/51/64/1131025164.db2.gz PXJWLXJSAUMBIC-KDURUIRLSA-N 2 1 328.500 3.546 20 30 EHEDMP C[C@H](CCCC#N)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001172489473 1131756620 /nfs/dbraw/zinc/75/66/20/1131756620.db2.gz STABYAAQJBNMEK-DGXAPEILSA-N 2 1 331.463 3.645 20 30 EHEDMP C=CCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173318764 1132060584 /nfs/dbraw/zinc/06/05/84/1132060584.db2.gz KVMVFURRIAPALX-UHFFFAOYSA-N 2 1 332.463 3.589 20 30 EHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc1 ZINC001168839773 1132577547 /nfs/dbraw/zinc/57/75/47/1132577547.db2.gz WUKDQWLFDCDZMS-UHFFFAOYSA-N 2 1 326.871 3.885 20 30 EHEDMP N#CC[C@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852318812 1136447679 /nfs/dbraw/zinc/44/76/79/1136447679.db2.gz CBIMIMYPNVWYKP-WOJBJXKFSA-N 2 1 330.520 3.798 20 30 EHEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865481892 1137287688 /nfs/dbraw/zinc/28/76/88/1137287688.db2.gz XWQZOODIJFJYBV-UHFFFAOYSA-N 2 1 340.515 3.511 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001171191954 1137298454 /nfs/dbraw/zinc/29/84/54/1137298454.db2.gz IVWWZDOGROALHD-LJQANCHMSA-N 2 1 347.506 3.786 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172305389 1137545423 /nfs/dbraw/zinc/54/54/23/1137545423.db2.gz RYXOLWGNTVBZAN-GOSISDBHSA-N 2 1 337.511 3.830 20 30 EHEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C3CC3)CC2)cc1 ZINC000872398475 1137579278 /nfs/dbraw/zinc/57/92/78/1137579278.db2.gz SADLOHBPXKKGMG-UHFFFAOYSA-N 2 1 332.451 3.543 20 30 EHEDMP C[C@@H](CCC#N)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000876865936 1137664252 /nfs/dbraw/zinc/66/42/52/1137664252.db2.gz KLLKHSRCRNGGJO-KRWDZBQOSA-N 2 1 328.504 3.816 20 30 EHEDMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876899593 1137664958 /nfs/dbraw/zinc/66/49/58/1137664958.db2.gz MJINNNZXTFFSOP-UHFFFAOYSA-N 2 1 342.874 3.738 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000883164795 1137846852 /nfs/dbraw/zinc/84/68/52/1137846852.db2.gz OHGVCSVYVBXVSK-NHCUHLMSSA-N 2 1 328.500 3.754 20 30 EHEDMP C[NH+]([C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389243 1138073271 /nfs/dbraw/zinc/07/32/71/1138073271.db2.gz AHZOZINUHHFSKD-DNDRQTMDSA-N 2 1 328.504 3.546 20 30 EHEDMP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000886389243 1138073272 /nfs/dbraw/zinc/07/32/72/1138073272.db2.gz AHZOZINUHHFSKD-DNDRQTMDSA-N 2 1 328.504 3.546 20 30 EHEDMP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000886389243 1138073273 /nfs/dbraw/zinc/07/32/73/1138073273.db2.gz AHZOZINUHHFSKD-DNDRQTMDSA-N 2 1 328.504 3.546 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681912 1139924328 /nfs/dbraw/zinc/92/43/28/1139924328.db2.gz JMMOFUKJOLXCPA-NQIIRXRSSA-N 2 1 333.479 3.773 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1OC ZINC000266168100 1140650359 /nfs/dbraw/zinc/65/03/59/1140650359.db2.gz PZJDRROUMKAISC-UHFFFAOYSA-N 2 1 343.471 3.725 20 30 EHEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000459727773 1032433360 /nfs/dbraw/zinc/43/33/60/1032433360.db2.gz HJIJGEDDZQVTOU-PELRDEGISA-N 2 1 325.500 3.712 20 30 EHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602592042 1032990067 /nfs/dbraw/zinc/99/00/67/1032990067.db2.gz GXXLHFQQDIIENC-SFHVURJKSA-N 2 1 343.515 3.715 20 30 EHEDMP N#CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000602608279 1033024773 /nfs/dbraw/zinc/02/47/73/1033024773.db2.gz LSOOBGWAHOCVQD-JNXFOVNBSA-N 2 1 337.511 3.959 20 30 EHEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810025 1023651543 /nfs/dbraw/zinc/65/15/43/1023651543.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535810025 1023651547 /nfs/dbraw/zinc/65/15/47/1023651547.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535810025 1023651550 /nfs/dbraw/zinc/65/15/50/1023651550.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 2 1 326.484 3.700 20 30 EHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343357 1025028499 /nfs/dbraw/zinc/02/84/99/1025028499.db2.gz BXLYNJKJNYWWJK-RHSMWYFYSA-N 2 1 344.503 3.605 20 30 EHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343357 1025028508 /nfs/dbraw/zinc/02/85/08/1025028508.db2.gz BXLYNJKJNYWWJK-RHSMWYFYSA-N 2 1 344.503 3.605 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530232011 1025518827 /nfs/dbraw/zinc/51/88/27/1025518827.db2.gz UOZGPCNKOGUGQC-UHFFFAOYSA-N 2 1 342.527 3.705 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000153032684 1026924833 /nfs/dbraw/zinc/92/48/33/1026924833.db2.gz JWHNMLGROYNTCA-QGZVFWFLSA-N 2 1 341.499 3.505 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000237590936 1028657293 /nfs/dbraw/zinc/65/72/93/1028657293.db2.gz DRURBNPEDNASFN-QGZVFWFLSA-N 2 1 341.499 3.722 20 30 EHEDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000121725334 1030134887 /nfs/dbraw/zinc/13/48/87/1030134887.db2.gz QAUMZTZUFHXARS-SFHVURJKSA-N 2 1 333.479 3.916 20 30 EHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649404 /nfs/dbraw/zinc/64/94/04/1030649404.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649416 /nfs/dbraw/zinc/64/94/16/1030649416.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649430 /nfs/dbraw/zinc/64/94/30/1030649430.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 2 1 329.488 3.531 20 30 EHEDMP CC1(C)C[N@@H+](CCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590228 1034307937 /nfs/dbraw/zinc/30/79/37/1034307937.db2.gz DQSVFXXZXOGEHC-FQEVSTJZSA-N 2 1 325.500 3.913 20 30 EHEDMP N#Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967260 1034586635 /nfs/dbraw/zinc/58/66/35/1034586635.db2.gz PNBYZTLMRSMCAP-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967260 1034586643 /nfs/dbraw/zinc/58/66/43/1034586643.db2.gz PNBYZTLMRSMCAP-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967260 1034586650 /nfs/dbraw/zinc/58/66/50/1034586650.db2.gz PNBYZTLMRSMCAP-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967260 1034586663 /nfs/dbraw/zinc/58/66/63/1034586663.db2.gz PNBYZTLMRSMCAP-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000164395547 1035537190 /nfs/dbraw/zinc/53/71/90/1035537190.db2.gz NRIOUGGTHITCJT-LJQANCHMSA-N 2 1 344.499 3.580 20 30 EHEDMP C=CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000668552412 1039583272 /nfs/dbraw/zinc/58/32/72/1039583272.db2.gz LNISIJMCFONPJY-AZUAARDMSA-N 2 1 328.500 3.754 20 30 EHEDMP C=CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000668552412 1039583287 /nfs/dbraw/zinc/58/32/87/1039583287.db2.gz LNISIJMCFONPJY-AZUAARDMSA-N 2 1 328.500 3.754 20 30 EHEDMP CCC[N@H+](CCC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000364078729 1039674029 /nfs/dbraw/zinc/67/40/29/1039674029.db2.gz XSIVMQBITKJBKW-UHFFFAOYSA-N 2 1 343.519 3.714 20 30 EHEDMP CCC[N@@H+](CCC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000364078729 1039674043 /nfs/dbraw/zinc/67/40/43/1039674043.db2.gz XSIVMQBITKJBKW-UHFFFAOYSA-N 2 1 343.519 3.714 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000614168785 1040340245 /nfs/dbraw/zinc/34/02/45/1040340245.db2.gz UOKKXSOZXKVDJU-IBGZPJMESA-N 2 1 325.500 3.796 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000614168785 1040340258 /nfs/dbraw/zinc/34/02/58/1040340258.db2.gz UOKKXSOZXKVDJU-IBGZPJMESA-N 2 1 325.500 3.796 20 30 EHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC3(C#N)CCCCC3)CC2)C[C@H](C)O1 ZINC000411220168 1040598339 /nfs/dbraw/zinc/59/83/39/1040598339.db2.gz RGVAJADURSENQT-KDURUIRLSA-N 2 1 347.547 3.672 20 30 EHEDMP C=CCc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000500287273 1040934247 /nfs/dbraw/zinc/93/42/47/1040934247.db2.gz KCLVULGDTPDZCM-IRXDYDNUSA-N 2 1 346.515 3.587 20 30 EHEDMP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000925415725 1120904902 /nfs/dbraw/zinc/90/49/02/1120904902.db2.gz TYEPMYMKXLKABX-FQEVSTJZSA-N 2 1 343.515 3.968 20 30 EHEDMP N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000282125573 1121846871 /nfs/dbraw/zinc/84/68/71/1121846871.db2.gz BBTSAWYMTNMOFU-GBJCSSAMSA-N 2 1 337.511 3.817 20 30 EHEDMP N#CCC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001173328747 1132049754 /nfs/dbraw/zinc/04/97/54/1132049754.db2.gz MCUGMCMKWCKLBH-UHFFFAOYSA-N 2 1 325.500 3.756 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647192 1132198774 /nfs/dbraw/zinc/19/87/74/1132198774.db2.gz KDWRNKSSTBMHNR-DENIHFKCSA-N 2 1 348.490 3.841 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647192 1132198780 /nfs/dbraw/zinc/19/87/80/1132198780.db2.gz KDWRNKSSTBMHNR-DENIHFKCSA-N 2 1 348.490 3.841 20 30 EHEDMP C(#Cc1ccccc1)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170427136 1134870195 /nfs/dbraw/zinc/87/01/95/1134870195.db2.gz FWMRCKKVVATRLE-HXUWFJFHSA-N 2 1 344.462 3.815 20 30 EHEDMP CC1(C#N)CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001192501182 1135024308 /nfs/dbraw/zinc/02/43/08/1135024308.db2.gz LVXTWRDEGOMLQF-UHFFFAOYSA-N 2 1 339.527 3.957 20 30 EHEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000809604694 1135856576 /nfs/dbraw/zinc/85/65/76/1135856576.db2.gz XUCZPNRUAGSYEY-KDURUIRLSA-N 2 1 348.490 3.567 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000772958277 1137380434 /nfs/dbraw/zinc/38/04/34/1137380434.db2.gz WLKDIRZWUVIYGR-FQEVSTJZSA-N 2 1 328.500 3.546 20 30 EHEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078158 1137463744 /nfs/dbraw/zinc/46/37/44/1137463744.db2.gz VFEPCLQUQXJLOH-RBUKOAKNSA-N 2 1 328.500 3.717 20 30 EHEDMP C=C(Br)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716716560 1137488746 /nfs/dbraw/zinc/48/87/46/1137488746.db2.gz HLFIXFAWWITJTH-BBWFWOEESA-N 2 1 335.289 3.538 20 30 EHEDMP C=C(Br)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716560 1137488747 /nfs/dbraw/zinc/48/87/47/1137488747.db2.gz HLFIXFAWWITJTH-BBWFWOEESA-N 2 1 335.289 3.538 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172289824 1137548044 /nfs/dbraw/zinc/54/80/44/1137548044.db2.gz IQKYZSQYJODQHY-XXBNENTESA-N 2 1 347.506 3.991 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000152986826 1139117299 /nfs/dbraw/zinc/11/72/99/1139117299.db2.gz XZZHYLJZPVXESV-INIZCTEOSA-N 2 1 330.472 3.539 20 30 EHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000181511120 1139911454 /nfs/dbraw/zinc/91/14/54/1139911454.db2.gz CTLQQLOSODCGTB-ROUUACIJSA-N 2 1 329.488 3.894 20 30 EHEDMP C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697130 1140164127 /nfs/dbraw/zinc/16/41/27/1140164127.db2.gz RXNQFNIAODAGLW-IEBWSBKVSA-N 2 1 341.499 3.570 20 30 EHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C)(C#N)CC3)CC2)oc1C ZINC000449121258 1032211963 /nfs/dbraw/zinc/21/19/63/1032211963.db2.gz HALXVBWVNDNESN-UHFFFAOYSA-N 2 1 344.503 3.566 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000177583099 1017697360 /nfs/dbraw/zinc/69/73/60/1017697360.db2.gz TUGCVSYJYJMSNK-UHFFFAOYSA-N 2 1 326.484 3.585 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)[C@@H]1c1cccs1 ZINC000177705626 1018620254 /nfs/dbraw/zinc/62/02/54/1018620254.db2.gz KQMJWEHUDSGUTB-RHSMWYFYSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)[C@@H]1c1cccs1 ZINC000177705626 1018620259 /nfs/dbraw/zinc/62/02/59/1018620259.db2.gz KQMJWEHUDSGUTB-RHSMWYFYSA-N 2 1 331.510 3.854 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398165806 1018985962 /nfs/dbraw/zinc/98/59/62/1018985962.db2.gz TWENGYZTYCAEQR-UTKZUKDTSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398165806 1018985975 /nfs/dbraw/zinc/98/59/75/1018985975.db2.gz TWENGYZTYCAEQR-UTKZUKDTSA-N 2 1 349.478 3.567 20 30 EHEDMP C[N@H+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCC1 ZINC000507639839 1021408038 /nfs/dbraw/zinc/40/80/38/1021408038.db2.gz YRNMOLJLFNJOBM-UHFFFAOYSA-N 2 1 325.500 3.855 20 30 EHEDMP C[N@@H+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCC1 ZINC000507639839 1021408048 /nfs/dbraw/zinc/40/80/48/1021408048.db2.gz YRNMOLJLFNJOBM-UHFFFAOYSA-N 2 1 325.500 3.855 20 30 EHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000276974353 1023511098 /nfs/dbraw/zinc/51/10/98/1023511098.db2.gz QNCTVXGQDAQIJL-KRWDZBQOSA-N 2 1 336.483 3.561 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808573 1023659835 /nfs/dbraw/zinc/65/98/35/1023659835.db2.gz MXXKYVKQKDLORK-GHTZIAJQSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535808573 1023659840 /nfs/dbraw/zinc/65/98/40/1023659840.db2.gz MXXKYVKQKDLORK-GHTZIAJQSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535808573 1023659844 /nfs/dbraw/zinc/65/98/44/1023659844.db2.gz MXXKYVKQKDLORK-GHTZIAJQSA-N 2 1 326.484 3.700 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000435730557 1025098408 /nfs/dbraw/zinc/09/84/08/1025098408.db2.gz FMZSBDPBOOZTKF-UXHICEINSA-N 2 1 330.516 3.715 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000453371452 1030187821 /nfs/dbraw/zinc/18/78/21/1030187821.db2.gz GHZMIFWVUHMIFS-MZADTFQBSA-N 2 1 349.453 3.983 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000453371452 1030187832 /nfs/dbraw/zinc/18/78/32/1030187832.db2.gz GHZMIFWVUHMIFS-MZADTFQBSA-N 2 1 349.453 3.983 20 30 EHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131847 1032045530 /nfs/dbraw/zinc/04/55/30/1032045530.db2.gz KUPMIQJIWXWPGZ-AZUAARDMSA-N 2 1 349.478 3.762 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000594944284 1033590754 /nfs/dbraw/zinc/59/07/54/1033590754.db2.gz SNAJBLJFYYKWFS-MJGOQNOKSA-N 2 1 337.511 3.984 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594956714 1033598287 /nfs/dbraw/zinc/59/82/87/1033598287.db2.gz ZDQIDFOWCFSUFU-PGRDOPGGSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594956714 1033598294 /nfs/dbraw/zinc/59/82/94/1033598294.db2.gz ZDQIDFOWCFSUFU-PGRDOPGGSA-N 2 1 333.479 3.743 20 30 EHEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000385967255 1034586864 /nfs/dbraw/zinc/58/68/64/1034586864.db2.gz PNBYZTLMRSMCAP-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000385967255 1034586877 /nfs/dbraw/zinc/58/68/77/1034586877.db2.gz PNBYZTLMRSMCAP-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000385967255 1034586886 /nfs/dbraw/zinc/58/68/86/1034586886.db2.gz PNBYZTLMRSMCAP-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000385967255 1034586890 /nfs/dbraw/zinc/58/68/90/1034586890.db2.gz PNBYZTLMRSMCAP-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375983248 1035057626 /nfs/dbraw/zinc/05/76/26/1035057626.db2.gz BVOJGYQPIKYURP-CZAAIQMYSA-N 2 1 334.467 3.639 20 30 EHEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](C#N)C3)CC2)cs1 ZINC000192853759 1036558028 /nfs/dbraw/zinc/55/80/28/1036558028.db2.gz YGWSSHYYEJUPAF-IRXDYDNUSA-N 2 1 346.544 3.589 20 30 EHEDMP C=CCCCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488220551 1038973130 /nfs/dbraw/zinc/97/31/30/1038973130.db2.gz OCEPKZDLUJJQMG-UHFFFAOYSA-N 2 1 335.580 3.861 20 30 EHEDMP C=CCCCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488220551 1038973140 /nfs/dbraw/zinc/97/31/40/1038973140.db2.gz OCEPKZDLUJJQMG-UHFFFAOYSA-N 3 1 335.580 3.861 20 30 EHEDMP C=CCCCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488220551 1038973150 /nfs/dbraw/zinc/97/31/50/1038973150.db2.gz OCEPKZDLUJJQMG-UHFFFAOYSA-N 3 1 335.580 3.861 20 30 EHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520455 1039192564 /nfs/dbraw/zinc/19/25/64/1039192564.db2.gz ZDDQCUOAILMSCR-AYWYSENESA-N 2 1 325.500 3.817 20 30 EHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279032191 1043223796 /nfs/dbraw/zinc/22/37/96/1043223796.db2.gz WHANXEWVVIBHLV-HOTGVXAUSA-N 2 1 345.874 3.928 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711079 1126989781 /nfs/dbraw/zinc/98/97/81/1126989781.db2.gz RNCYGRLHPYRTGG-SJLPKXTDSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711079 1126989783 /nfs/dbraw/zinc/98/97/83/1126989783.db2.gz RNCYGRLHPYRTGG-SJLPKXTDSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976404 1128989060 /nfs/dbraw/zinc/98/90/60/1128989060.db2.gz FEHIICOYNAIYLB-CRAIPNDOSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976404 1128989061 /nfs/dbraw/zinc/98/90/61/1128989061.db2.gz FEHIICOYNAIYLB-CRAIPNDOSA-N 2 1 325.481 3.620 20 30 EHEDMP N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000282125594 1121847492 /nfs/dbraw/zinc/84/74/92/1121847492.db2.gz BBTSAWYMTNMOFU-NEBGQFLZSA-N 2 1 337.511 3.817 20 30 EHEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000556922626 1123210382 /nfs/dbraw/zinc/21/03/82/1123210382.db2.gz CUYPPMHMBGYCDS-KBWCOIMZSA-N 2 1 325.500 3.855 20 30 EHEDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000556922626 1123210386 /nfs/dbraw/zinc/21/03/86/1123210386.db2.gz CUYPPMHMBGYCDS-KBWCOIMZSA-N 2 1 325.500 3.855 20 30 EHEDMP C[N@H+](Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000609574534 1123611830 /nfs/dbraw/zinc/61/18/30/1123611830.db2.gz PDOQUAXLCKEAMS-GOSISDBHSA-N 2 1 338.499 3.984 20 30 EHEDMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000609574534 1123611832 /nfs/dbraw/zinc/61/18/32/1123611832.db2.gz PDOQUAXLCKEAMS-GOSISDBHSA-N 2 1 338.499 3.984 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246006161 1130336624 /nfs/dbraw/zinc/33/66/24/1130336624.db2.gz JYFNUVIVGOHBEY-IGOJGBNBSA-N 2 1 339.508 3.866 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246006161 1130336633 /nfs/dbraw/zinc/33/66/33/1130336633.db2.gz JYFNUVIVGOHBEY-IGOJGBNBSA-N 2 1 339.508 3.866 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1C#N ZINC000174402488 1130356985 /nfs/dbraw/zinc/35/69/85/1130356985.db2.gz IUDDFUQPRDMWDB-QGZVFWFLSA-N 2 1 349.478 3.882 20 30 EHEDMP C[C@H](CCCC#N)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172499630 1131759956 /nfs/dbraw/zinc/75/99/56/1131759956.db2.gz YUWVWAUPEIZDDQ-RSRIQPTJSA-N 2 1 327.516 3.964 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336905 1132052932 /nfs/dbraw/zinc/05/29/32/1132052932.db2.gz QUMHNKCRFFYLFE-KSBZDLFUSA-N 2 1 337.511 3.913 20 30 EHEDMP N#CCC1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336905 1132052937 /nfs/dbraw/zinc/05/29/37/1132052937.db2.gz QUMHNKCRFFYLFE-KSBZDLFUSA-N 2 1 337.511 3.913 20 30 EHEDMP C=CCn1ccc2c1nc[nH+]c2N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169140336 1132666771 /nfs/dbraw/zinc/66/67/71/1132666771.db2.gz FRCSSUDUPSSDHK-IFXJQAMLSA-N 2 1 327.476 3.573 20 30 EHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170367570 1134757784 /nfs/dbraw/zinc/75/77/84/1134757784.db2.gz KFLRAVBJSAOTIX-PLZZICSBSA-N 2 1 337.511 3.995 20 30 EHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170367570 1134757787 /nfs/dbraw/zinc/75/77/87/1134757787.db2.gz KFLRAVBJSAOTIX-PLZZICSBSA-N 2 1 337.511 3.995 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1C#N ZINC000773086084 1137464409 /nfs/dbraw/zinc/46/44/09/1137464409.db2.gz YEPWLTYYQLWJMN-OXJNMPFZSA-N 2 1 341.499 3.700 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172307914 1137545724 /nfs/dbraw/zinc/54/57/24/1137545724.db2.gz HZDKMGCWRCYKGZ-DNVFCKCGSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172307914 1137545725 /nfs/dbraw/zinc/54/57/25/1137545725.db2.gz HZDKMGCWRCYKGZ-DNVFCKCGSA-N 2 1 347.506 3.989 20 30 EHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877146269 1137671573 /nfs/dbraw/zinc/67/15/73/1137671573.db2.gz VOFJSKUZXZOWSN-UHFFFAOYSA-N 2 1 342.874 3.737 20 30 EHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877146269 1137671574 /nfs/dbraw/zinc/67/15/74/1137671574.db2.gz VOFJSKUZXZOWSN-UHFFFAOYSA-N 2 1 342.874 3.737 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000883164797 1137846803 /nfs/dbraw/zinc/84/68/03/1137846803.db2.gz OHGVCSVYVBXVSK-SFTDATJTSA-N 2 1 328.500 3.754 20 30 EHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173394 1137847271 /nfs/dbraw/zinc/84/72/71/1137847271.db2.gz KAWSVIJDJJCCJZ-JKBKZWBZSA-N 2 1 326.484 3.541 20 30 EHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173395 1137847276 /nfs/dbraw/zinc/84/72/76/1137847276.db2.gz KAWSVIJDJJCCJZ-WERVVEIQSA-N 2 1 326.484 3.541 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(C#N)cc3)cc2)CC1 ZINC000151372478 1139028006 /nfs/dbraw/zinc/02/80/06/1139028006.db2.gz VTNGYQQGDHTBHJ-UHFFFAOYSA-N 2 1 348.494 3.948 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000152985225 1139117173 /nfs/dbraw/zinc/11/71/73/1139117173.db2.gz BVIHDPKHJNLQCV-QGZVFWFLSA-N 2 1 343.515 3.651 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192839532 1140553190 /nfs/dbraw/zinc/55/31/90/1140553190.db2.gz AWANCFRXSKKULB-IBGZPJMESA-N 2 1 329.444 3.602 20 30 EHEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271059418 1141302997 /nfs/dbraw/zinc/30/29/97/1141302997.db2.gz FPZZKAAEAYNEBH-RPCJCACASA-N 2 1 336.483 3.821 20 30 EHEDMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516778 1016800122 /nfs/dbraw/zinc/80/01/22/1016800122.db2.gz OQIDHRRQWVLCBD-JOCHJYFZSA-N 2 1 349.478 3.569 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccco1 ZINC000276511200 1021551721 /nfs/dbraw/zinc/55/17/21/1021551721.db2.gz ZHRWBMLISKIRCC-FHWLQOOXSA-N 2 1 332.488 3.644 20 30 EHEDMP N#CCSCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159169913 1026512666 /nfs/dbraw/zinc/51/26/66/1026512666.db2.gz DEEXAXGBDXSLFF-PMACEKPBSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159169913 1026512673 /nfs/dbraw/zinc/51/26/73/1026512673.db2.gz DEEXAXGBDXSLFF-PMACEKPBSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159169913 1026512678 /nfs/dbraw/zinc/51/26/78/1026512678.db2.gz DEEXAXGBDXSLFF-PMACEKPBSA-N 2 1 343.540 3.620 20 30 EHEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000329445614 1030769575 /nfs/dbraw/zinc/76/95/75/1030769575.db2.gz CJAQWYKJPDHDJY-MRXNPFEDSA-N 2 1 344.503 3.508 20 30 EHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131856 1032045852 /nfs/dbraw/zinc/04/58/52/1032045852.db2.gz KUPMIQJIWXWPGZ-UYAOXDASSA-N 2 1 349.478 3.762 20 30 EHEDMP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599304102 1033855099 /nfs/dbraw/zinc/85/50/99/1033855099.db2.gz WIRMPVFUFXDIGL-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599304102 1033855108 /nfs/dbraw/zinc/85/51/08/1033855108.db2.gz WIRMPVFUFXDIGL-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000599304102 1033855124 /nfs/dbraw/zinc/85/51/24/1033855124.db2.gz WIRMPVFUFXDIGL-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000599304102 1033855138 /nfs/dbraw/zinc/85/51/38/1033855138.db2.gz WIRMPVFUFXDIGL-OAQYLSRUSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000599393007 1033915238 /nfs/dbraw/zinc/91/52/38/1033915238.db2.gz AVNZXBPLAZAQBV-UHFFFAOYSA-N 2 1 334.467 3.779 20 30 EHEDMP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000121120089 1034460986 /nfs/dbraw/zinc/46/09/86/1034460986.db2.gz WLPYTBIDVQREIV-LJQANCHMSA-N 2 1 333.545 3.998 20 30 EHEDMP CC[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100458 1035424810 /nfs/dbraw/zinc/42/48/10/1035424810.db2.gz ISETZESJBBJJSJ-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100458 1035424814 /nfs/dbraw/zinc/42/48/14/1035424814.db2.gz ISETZESJBBJJSJ-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100458 1035424816 /nfs/dbraw/zinc/42/48/16/1035424816.db2.gz ISETZESJBBJJSJ-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100458 1035424817 /nfs/dbraw/zinc/42/48/17/1035424817.db2.gz ISETZESJBBJJSJ-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP N#Cc1ccccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386062819 1036493757 /nfs/dbraw/zinc/49/37/57/1036493757.db2.gz DUFZKOQFOLHRGC-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180552050 1036971910 /nfs/dbraw/zinc/97/19/10/1036971910.db2.gz NWSVJAKJHVLWCC-INIZCTEOSA-N 2 1 346.434 3.934 20 30 EHEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000542199498 1037155197 /nfs/dbraw/zinc/15/51/97/1037155197.db2.gz AFLHQVYOHFTMEU-OAQYLSRUSA-N 2 1 325.500 3.697 20 30 EHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000542199498 1037155200 /nfs/dbraw/zinc/15/52/00/1037155200.db2.gz AFLHQVYOHFTMEU-OAQYLSRUSA-N 2 1 325.500 3.697 20 30 EHEDMP CC[C@H](CC#N)NCc1cc(Cl)cc(C[NH2+][C@H](CC)CC#N)c1 ZINC000570461448 1039989112 /nfs/dbraw/zinc/98/91/12/1039989112.db2.gz CKZGYEPMKHPULV-QZTJIDSGSA-N 2 1 332.879 3.904 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185749167 1126998027 /nfs/dbraw/zinc/99/80/27/1126998027.db2.gz FOIQGYCWBYSNPE-UYAOXDASSA-N 2 1 340.515 3.959 20 30 EHEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000404101786 1128676892 /nfs/dbraw/zinc/67/68/92/1128676892.db2.gz ZSHGYRXKZCYYBF-INIZCTEOSA-N 2 1 325.431 3.698 20 30 EHEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000404101786 1128676894 /nfs/dbraw/zinc/67/68/94/1128676894.db2.gz ZSHGYRXKZCYYBF-INIZCTEOSA-N 2 1 325.431 3.698 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136396727 1123693416 /nfs/dbraw/zinc/69/34/16/1123693416.db2.gz RZDSRULKRPFVIT-DENIHFKCSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000136396727 1123693418 /nfs/dbraw/zinc/69/34/18/1123693418.db2.gz RZDSRULKRPFVIT-DENIHFKCSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043705 1125020541 /nfs/dbraw/zinc/02/05/41/1125020541.db2.gz PREDEQYLBRPGRM-MOPGFXCFSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043705 1125020547 /nfs/dbraw/zinc/02/05/47/1125020547.db2.gz PREDEQYLBRPGRM-MOPGFXCFSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000092043705 1125020553 /nfs/dbraw/zinc/02/05/53/1125020553.db2.gz PREDEQYLBRPGRM-MOPGFXCFSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043705 1125020560 /nfs/dbraw/zinc/02/05/60/1125020560.db2.gz PREDEQYLBRPGRM-MOPGFXCFSA-N 2 1 344.499 3.566 20 30 EHEDMP CC1(C#N)CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001173595768 1132099408 /nfs/dbraw/zinc/09/94/08/1132099408.db2.gz WIVRSXMWQZZFCM-HNXFYBAISA-N 2 1 329.513 3.584 20 30 EHEDMP CCCCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201776503 1136065614 /nfs/dbraw/zinc/06/56/14/1136065614.db2.gz DUASAQQASIGERJ-UHFFFAOYSA-N 2 1 332.536 3.821 20 30 EHEDMP CCCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201776503 1136065618 /nfs/dbraw/zinc/06/56/18/1136065618.db2.gz DUASAQQASIGERJ-UHFFFAOYSA-N 2 1 332.536 3.821 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000815652631 1136626093 /nfs/dbraw/zinc/62/60/93/1136626093.db2.gz KKSFAAWTDNTEFF-CQSZACIVSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000815652631 1136626094 /nfs/dbraw/zinc/62/60/94/1136626094.db2.gz KKSFAAWTDNTEFF-CQSZACIVSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000113327999 1136697329 /nfs/dbraw/zinc/69/73/29/1136697329.db2.gz ZOLCOWFEQMTVKF-UHFFFAOYSA-N 2 1 349.409 3.622 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1 ZINC001171398357 1137471229 /nfs/dbraw/zinc/47/12/29/1137471229.db2.gz TZTYCVBCWWSOAU-UXHICEINSA-N 2 1 349.478 3.867 20 30 EHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1Cc2ccccc2O1 ZINC000883173396 1137847228 /nfs/dbraw/zinc/84/72/28/1137847228.db2.gz KAWSVIJDJJCCJZ-XODKDNOYSA-N 2 1 326.484 3.541 20 30 EHEDMP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000886389244 1138073159 /nfs/dbraw/zinc/07/31/59/1138073159.db2.gz AHZOZINUHHFSKD-FFLLIEHLSA-N 2 1 328.504 3.546 20 30 EHEDMP C[NH+]([C@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389244 1138073162 /nfs/dbraw/zinc/07/31/62/1138073162.db2.gz AHZOZINUHHFSKD-FFLLIEHLSA-N 2 1 328.504 3.546 20 30 EHEDMP C[NH+]([C@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389244 1138073165 /nfs/dbraw/zinc/07/31/65/1138073165.db2.gz AHZOZINUHHFSKD-FFLLIEHLSA-N 2 1 328.504 3.546 20 30 EHEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513197 1139911592 /nfs/dbraw/zinc/91/15/92/1139911592.db2.gz KENUJALHNJKZMX-OTWHNJEPSA-N 2 1 343.515 3.998 20 30 EHEDMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328658062 1022455343 /nfs/dbraw/zinc/45/53/43/1022455343.db2.gz QIODFHFPDJMPBO-CVEARBPZSA-N 2 1 344.503 3.686 20 30 EHEDMP C[C@H](C(=O)NC1CCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000328658062 1022455347 /nfs/dbraw/zinc/45/53/47/1022455347.db2.gz QIODFHFPDJMPBO-CVEARBPZSA-N 2 1 344.503 3.686 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000435730556 1025099001 /nfs/dbraw/zinc/09/90/01/1025099001.db2.gz FMZSBDPBOOZTKF-PMACEKPBSA-N 2 1 330.516 3.715 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442822771 1025498778 /nfs/dbraw/zinc/49/87/78/1025498778.db2.gz PSDXGRZRZIXYAN-UHFFFAOYSA-N 2 1 329.488 3.511 20 30 EHEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624810 1028201273 /nfs/dbraw/zinc/20/12/73/1028201273.db2.gz DWTBNHBKYHGHQW-LAUBAEHRSA-N 2 1 349.478 3.710 20 30 EHEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624810 1028201292 /nfs/dbraw/zinc/20/12/92/1028201292.db2.gz DWTBNHBKYHGHQW-LAUBAEHRSA-N 2 1 349.478 3.710 20 30 EHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421329313 1028272725 /nfs/dbraw/zinc/27/27/25/1028272725.db2.gz VEXDXKKRRJWGIX-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977825 1032055252 /nfs/dbraw/zinc/05/52/52/1032055252.db2.gz WMZGNJRATFNDAW-YHWJGBFKSA-N 2 1 341.499 3.567 20 30 EHEDMP N#Cc1ccc(F)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602571 1036657592 /nfs/dbraw/zinc/65/75/92/1036657592.db2.gz PWPKFEOONYXYBJ-UHFFFAOYSA-N 2 1 329.463 3.785 20 30 EHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591839144 1037646854 /nfs/dbraw/zinc/64/68/54/1037646854.db2.gz YHLVCKBTBGRTFA-QGZVFWFLSA-N 2 1 337.467 3.692 20 30 EHEDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000540182269 1037666561 /nfs/dbraw/zinc/66/65/61/1037666561.db2.gz SGFBDXODMMWQOL-CMTQZCSUSA-N 2 1 341.499 3.568 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463252448 1037952792 /nfs/dbraw/zinc/95/27/92/1037952792.db2.gz NESVKGXQPJHYEB-HZGZPEGRSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463252448 1037952800 /nfs/dbraw/zinc/95/28/00/1037952800.db2.gz NESVKGXQPJHYEB-HZGZPEGRSA-N 2 1 325.500 3.959 20 30 EHEDMP C=CCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925631940 1040343476 /nfs/dbraw/zinc/34/34/76/1040343476.db2.gz LOSQYTGIRWVCIA-SEJPIABJSA-N 2 1 328.500 3.754 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176172 1040379153 /nfs/dbraw/zinc/37/91/53/1040379153.db2.gz OKJDVJQWNUGGSD-RXVVDRJESA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176172 1040379170 /nfs/dbraw/zinc/37/91/70/1040379170.db2.gz OKJDVJQWNUGGSD-RXVVDRJESA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176172 1040379189 /nfs/dbraw/zinc/37/91/89/1040379189.db2.gz OKJDVJQWNUGGSD-RXVVDRJESA-N 2 1 337.511 3.936 20 30 EHEDMP C[N@H+]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C[C@@H]1c1ccccc1 ZINC000566568991 1040549974 /nfs/dbraw/zinc/54/99/74/1040549974.db2.gz YSCCPHKSHLREFY-NHCUHLMSSA-N 2 1 331.463 3.972 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185749186 1126998047 /nfs/dbraw/zinc/99/80/47/1126998047.db2.gz FOIQGYCWBYSNPE-QUCCMNQESA-N 2 1 340.515 3.959 20 30 EHEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000367905186 1127412382 /nfs/dbraw/zinc/41/23/82/1127412382.db2.gz VYSZDTSTATUNBH-VAMGGRTRSA-N 2 1 325.500 3.817 20 30 EHEDMP CC(CN(C)Cc1ccc(C#N)cc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000074348925 1128801148 /nfs/dbraw/zinc/80/11/48/1128801148.db2.gz WOGQSZLJCXDLSO-UHFFFAOYSA-N 2 1 346.478 3.630 20 30 EHEDMP CC(C[NH+](C)Cc1ccc(C#N)cc1)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000074348925 1128801151 /nfs/dbraw/zinc/80/11/51/1128801151.db2.gz WOGQSZLJCXDLSO-UHFFFAOYSA-N 2 1 346.478 3.630 20 30 EHEDMP CC(C[NH+](C)Cc1ccc(C#N)cc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000074348925 1128801154 /nfs/dbraw/zinc/80/11/54/1128801154.db2.gz WOGQSZLJCXDLSO-UHFFFAOYSA-N 2 1 346.478 3.630 20 30 EHEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237555271 1123764540 /nfs/dbraw/zinc/76/45/40/1123764540.db2.gz SNFUZTFJIURWJK-OALUTQOASA-N 2 1 343.515 3.827 20 30 EHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1C#N ZINC000092821334 1129562956 /nfs/dbraw/zinc/56/29/56/1129562956.db2.gz ORVMRPGWYGCMTH-UHFFFAOYSA-N 2 1 334.467 3.692 20 30 EHEDMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000245885437 1130326795 /nfs/dbraw/zinc/32/67/95/1130326795.db2.gz LJPXXIFCOIVWDN-ZWKOTPCHSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000245885437 1130326799 /nfs/dbraw/zinc/32/67/99/1130326799.db2.gz LJPXXIFCOIVWDN-ZWKOTPCHSA-N 2 1 349.478 3.630 20 30 EHEDMP C=CCOCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348064921 1131147908 /nfs/dbraw/zinc/14/79/08/1131147908.db2.gz YINCBOHAOGXJQY-UHFFFAOYSA-N 2 1 328.500 3.567 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000815652828 1136626673 /nfs/dbraw/zinc/62/66/73/1136626673.db2.gz VUDKTRXPEJMRIF-QGZVFWFLSA-N 2 1 339.508 3.732 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000815652828 1136626675 /nfs/dbraw/zinc/62/66/75/1136626675.db2.gz VUDKTRXPEJMRIF-QGZVFWFLSA-N 2 1 339.508 3.732 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171179281 1137290790 /nfs/dbraw/zinc/29/07/90/1137290790.db2.gz QNAKTFIZXOLKOH-AUSIDOKSSA-N 2 1 347.506 3.991 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001171198176 1137307964 /nfs/dbraw/zinc/30/79/64/1137307964.db2.gz IHCSBEKDLPUXJF-MRXNPFEDSA-N 2 1 337.442 3.578 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001171221119 1137346800 /nfs/dbraw/zinc/34/68/00/1137346800.db2.gz IJCOSICWOWWARK-RXVVDRJESA-N 2 1 325.500 3.830 20 30 EHEDMP C=CCOc1ccccc1[C@@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171373088 1137460433 /nfs/dbraw/zinc/46/04/33/1137460433.db2.gz DFAWRQDJNQUJNY-OAHLLOKOSA-N 2 1 348.450 3.759 20 30 EHEDMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001172132595 1137535985 /nfs/dbraw/zinc/53/59/85/1137535985.db2.gz MAPMFGXCRYLLHC-BCDXTJNWSA-N 2 1 341.474 3.698 20 30 EHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111105 1137537687 /nfs/dbraw/zinc/53/76/87/1137537687.db2.gz RYFOZWIMOILLGM-MUJYYYPQSA-N 2 1 337.389 3.682 20 30 EHEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000067120610 1138079873 /nfs/dbraw/zinc/07/98/73/1138079873.db2.gz DDPCTDMMCJAXOA-IBGZPJMESA-N 2 1 342.531 3.638 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886605095 1138101026 /nfs/dbraw/zinc/10/10/26/1138101026.db2.gz JKWNIWDTYNXRAF-YFNVTMOMSA-N 2 1 340.511 3.610 20 30 EHEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1C#N ZINC000174268167 1139410332 /nfs/dbraw/zinc/41/03/32/1139410332.db2.gz FPSZVLLBPJWQQI-UHFFFAOYSA-N 2 1 337.467 3.697 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185854629 1140173552 /nfs/dbraw/zinc/17/35/52/1140173552.db2.gz PVHGEPLDNOCXLW-PVNBSDQQSA-N 2 1 325.500 3.815 20 30 EHEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236639310 1017382072 /nfs/dbraw/zinc/38/20/72/1017382072.db2.gz OHGMWBBFWYVGTR-UHFFFAOYSA-N 2 1 329.488 3.722 20 30 EHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000602606744 1033024529 /nfs/dbraw/zinc/02/45/29/1033024529.db2.gz GLHQOEOPPNCELW-GFOJFJKKSA-N 2 1 325.500 3.817 20 30 EHEDMP N#CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000602608284 1033024019 /nfs/dbraw/zinc/02/40/19/1033024019.db2.gz LSOOBGWAHOCVQD-NNRACAPJSA-N 2 1 337.511 3.959 20 30 EHEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449734777 1033130114 /nfs/dbraw/zinc/13/01/14/1033130114.db2.gz DMATWFKMXAYWES-FOIQADDNSA-N 2 1 329.463 3.830 20 30 EHEDMP C=CCOc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960684 /nfs/dbraw/zinc/96/06/84/1023960684.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 2 1 348.531 3.553 20 30 EHEDMP C=CCOc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960693 /nfs/dbraw/zinc/96/06/93/1023960693.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 2 1 348.531 3.553 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960701 /nfs/dbraw/zinc/96/07/01/1023960701.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 2 1 348.531 3.553 20 30 EHEDMP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329670855 1024035662 /nfs/dbraw/zinc/03/56/62/1024035662.db2.gz RXNJUVUMSZXFIP-MRXNPFEDSA-N 2 1 338.455 3.502 20 30 EHEDMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1C#N ZINC000443962427 1024197894 /nfs/dbraw/zinc/19/78/94/1024197894.db2.gz RABDJODMNZEEGX-UHFFFAOYSA-N 2 1 333.479 3.663 20 30 EHEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000104191363 1024718762 /nfs/dbraw/zinc/71/87/62/1024718762.db2.gz YJQJWVWQPZZPTA-SFHVURJKSA-N 2 1 340.471 3.714 20 30 EHEDMP C[NH+](C/C=C\C[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000255265203 1029362925 /nfs/dbraw/zinc/36/29/25/1029362925.db2.gz LYQQUVGVIUEEOE-ARJAWSKDSA-N 2 1 344.462 3.550 20 30 EHEDMP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000192049944 1029468277 /nfs/dbraw/zinc/46/82/77/1029468277.db2.gz LKUKFWHZSHTFQX-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000192049944 1029468287 /nfs/dbraw/zinc/46/82/87/1029468287.db2.gz LKUKFWHZSHTFQX-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192049944 1029468297 /nfs/dbraw/zinc/46/82/97/1029468297.db2.gz LKUKFWHZSHTFQX-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192049944 1029468309 /nfs/dbraw/zinc/46/83/09/1029468309.db2.gz LKUKFWHZSHTFQX-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323752 1033739960 /nfs/dbraw/zinc/73/99/60/1033739960.db2.gz OPENWRJYUGPWIR-NQIIRXRSSA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323752 1033739978 /nfs/dbraw/zinc/73/99/78/1033739978.db2.gz OPENWRJYUGPWIR-NQIIRXRSSA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323752 1033739990 /nfs/dbraw/zinc/73/99/90/1033739990.db2.gz OPENWRJYUGPWIR-NQIIRXRSSA-N 2 1 325.500 3.687 20 30 EHEDMP C[N@H+](CCc1ccc(C#N)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000595409916 1033787037 /nfs/dbraw/zinc/78/70/37/1033787037.db2.gz QLPFYVOHONXGJR-UHFFFAOYSA-N 2 1 348.494 3.734 20 30 EHEDMP CC(CC[NH+]1CCC[C@@H](CC#N)C1)CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595622891 1033906050 /nfs/dbraw/zinc/90/60/50/1033906050.db2.gz FKONODJINZBSLC-PMACEKPBSA-N 2 1 330.520 3.654 20 30 EHEDMP C=CCC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658135473 1033969730 /nfs/dbraw/zinc/96/97/30/1033969730.db2.gz DXWKXHULAOHVCP-PMACEKPBSA-N 2 1 340.467 3.643 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000120846850 1034183661 /nfs/dbraw/zinc/18/36/61/1034183661.db2.gz QAVPNKBJYPKYND-FQEVSTJZSA-N 2 1 343.515 3.827 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236768 /nfs/dbraw/zinc/23/67/68/1037236768.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236783 /nfs/dbraw/zinc/23/67/83/1037236783.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236789 /nfs/dbraw/zinc/23/67/89/1037236789.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236799 /nfs/dbraw/zinc/23/67/99/1037236799.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 2 1 346.515 3.955 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185749125 1039200108 /nfs/dbraw/zinc/20/01/08/1039200108.db2.gz FOIQGYCWBYSNPE-AZUAARDMSA-N 2 1 340.515 3.959 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000390753880 1129632226 /nfs/dbraw/zinc/63/22/26/1129632226.db2.gz WJNCSZWPHXIUAL-OAQYLSRUSA-N 2 1 333.479 3.949 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000390753880 1129632228 /nfs/dbraw/zinc/63/22/28/1129632228.db2.gz WJNCSZWPHXIUAL-OAQYLSRUSA-N 2 1 333.479 3.949 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336904 1132053187 /nfs/dbraw/zinc/05/31/87/1132053187.db2.gz QUMHNKCRFFYLFE-IITXJAJYSA-N 2 1 337.511 3.913 20 30 EHEDMP N#CCC1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336904 1132053193 /nfs/dbraw/zinc/05/31/93/1132053193.db2.gz QUMHNKCRFFYLFE-IITXJAJYSA-N 2 1 337.511 3.913 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000105448986 1135947980 /nfs/dbraw/zinc/94/79/80/1135947980.db2.gz DQMKUDYIPNBLKP-QGZVFWFLSA-N 2 1 337.467 3.719 20 30 EHEDMP CCCCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001201762918 1136061319 /nfs/dbraw/zinc/06/13/19/1136061319.db2.gz ZNZAPXKWQSECPC-UHFFFAOYSA-N 2 1 334.504 3.917 20 30 EHEDMP CCCCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001201762918 1136061321 /nfs/dbraw/zinc/06/13/21/1136061321.db2.gz ZNZAPXKWQSECPC-UHFFFAOYSA-N 2 1 334.504 3.917 20 30 EHEDMP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000811517538 1136097711 /nfs/dbraw/zinc/09/77/11/1136097711.db2.gz VCQDRNVRMPKXST-FQEVSTJZSA-N 2 1 342.870 3.745 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC000825231668 1137170143 /nfs/dbraw/zinc/17/01/43/1137170143.db2.gz CNRFMUQNVZIUKQ-UHFFFAOYSA-N 2 1 329.463 3.832 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282740310 1137444231 /nfs/dbraw/zinc/44/42/31/1137444231.db2.gz UDZOWJHUWQCEBQ-UHFFFAOYSA-N 2 1 338.499 3.526 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172289821 1137548243 /nfs/dbraw/zinc/54/82/43/1137548243.db2.gz IQKYZSQYJODQHY-AUSIDOKSSA-N 2 1 347.506 3.991 20 30 EHEDMP N#CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000264976965 1138692361 /nfs/dbraw/zinc/69/23/61/1138692361.db2.gz JQHGYEZLSMPXRF-HXUWFJFHSA-N 2 1 341.499 3.677 20 30 EHEDMP N#CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000264976965 1138692365 /nfs/dbraw/zinc/69/23/65/1138692365.db2.gz JQHGYEZLSMPXRF-HXUWFJFHSA-N 2 1 341.499 3.677 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182045502 1139946925 /nfs/dbraw/zinc/94/69/25/1139946925.db2.gz RIVKCDQJYUHJDI-ZWKOTPCHSA-N 2 1 329.488 3.608 20 30 EHEDMP CC(C)(C#N)CC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705683297 1016163569 /nfs/dbraw/zinc/16/35/69/1016163569.db2.gz DOVSDXUBWXPSGM-NHCUHLMSSA-N 2 1 325.500 3.770 20 30 EHEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000513502200 1019760233 /nfs/dbraw/zinc/76/02/33/1019760233.db2.gz YCAZERYGCMSQHK-PGRDOPGGSA-N 2 1 333.479 3.949 20 30 EHEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544248 1032953771 /nfs/dbraw/zinc/95/37/71/1032953771.db2.gz GQODPIHHVZCBIZ-MSOLQXFVSA-N 2 1 335.536 3.576 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)CC1 ZINC000550142630 1022578028 /nfs/dbraw/zinc/57/80/28/1022578028.db2.gz ABGVOYOWJPLWCT-HKUYNNGSSA-N 2 1 336.520 3.519 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C#N)n2)CC1)CC(C)C ZINC000602665072 1033062529 /nfs/dbraw/zinc/06/25/29/1033062529.db2.gz YUWGYLWFDJLDEP-UHFFFAOYSA-N 2 1 328.504 3.533 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(OCC)c(OCC)c2)CC1 ZINC000106245351 1024564393 /nfs/dbraw/zinc/56/43/93/1024564393.db2.gz WBRZJAKHVYDRDU-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000106245351 1024564398 /nfs/dbraw/zinc/56/43/98/1024564398.db2.gz WBRZJAKHVYDRDU-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000153039179 1026965899 /nfs/dbraw/zinc/96/58/99/1026965899.db2.gz SYQJUAVLDKXBQG-NQIIRXRSSA-N 2 1 333.564 3.660 20 30 EHEDMP C=CCC[C@H](CCC)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677722 1027202708 /nfs/dbraw/zinc/20/27/08/1027202708.db2.gz SBGRRRMKSZTUJL-ZWKOTPCHSA-N 2 1 335.561 3.761 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000447585009 1030318046 /nfs/dbraw/zinc/31/80/46/1030318046.db2.gz IOGSJIFSMNFLQP-PBASOCQRSA-N 2 1 325.500 3.959 20 30 EHEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NC1CCCCC1 ZINC000246276034 1030434127 /nfs/dbraw/zinc/43/41/27/1030434127.db2.gz WIFDRNNDLFEITC-MAUKXSAKSA-N 2 1 348.560 3.629 20 30 EHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(CC#N)cc1 ZINC000343704672 1032008512 /nfs/dbraw/zinc/00/85/12/1032008512.db2.gz FAHTVXZFHSYREG-UHFFFAOYSA-N 2 1 348.494 3.886 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000594955699 1033596185 /nfs/dbraw/zinc/59/61/85/1033596185.db2.gz SIVGLKNXFPDDKH-JOCHJYFZSA-N 2 1 345.490 3.888 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000594955699 1033596192 /nfs/dbraw/zinc/59/61/92/1033596192.db2.gz SIVGLKNXFPDDKH-JOCHJYFZSA-N 2 1 345.490 3.888 20 30 EHEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595058197 1033638028 /nfs/dbraw/zinc/63/80/28/1033638028.db2.gz ZGVVYIJFPWPKQM-AVRDEDQJSA-N 2 1 333.479 3.601 20 30 EHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095922 1033703036 /nfs/dbraw/zinc/70/30/36/1033703036.db2.gz TUZGWDHEKQTFLO-QHAWAJNXSA-N 2 1 337.511 3.961 20 30 EHEDMP CC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029831 1033984432 /nfs/dbraw/zinc/98/44/32/1033984432.db2.gz NNYSIGIQBPMMHG-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP N#Cc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(C(F)(F)F)c1 ZINC000595895513 1034023958 /nfs/dbraw/zinc/02/39/58/1034023958.db2.gz OIVMUQKYZNEJQK-UHFFFAOYSA-N 2 1 347.384 3.928 20 30 EHEDMP N#Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C(F)(F)F)c1 ZINC000595895513 1034023973 /nfs/dbraw/zinc/02/39/73/1034023973.db2.gz OIVMUQKYZNEJQK-UHFFFAOYSA-N 2 1 347.384 3.928 20 30 EHEDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000595893192 1034024046 /nfs/dbraw/zinc/02/40/46/1034024046.db2.gz NDOTWNOEMGYWGC-CYBMUJFWSA-N 2 1 337.389 3.541 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000541155216 1036035557 /nfs/dbraw/zinc/03/55/57/1036035557.db2.gz JJLAXYLUZOCECP-MRXNPFEDSA-N 2 1 326.488 3.514 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1OC ZINC000539818771 1037234832 /nfs/dbraw/zinc/23/48/32/1037234832.db2.gz LEIJXTZTHPCYSV-MJGOQNOKSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000539818771 1037234840 /nfs/dbraw/zinc/23/48/40/1037234840.db2.gz LEIJXTZTHPCYSV-MJGOQNOKSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000539818771 1037234849 /nfs/dbraw/zinc/23/48/49/1037234849.db2.gz LEIJXTZTHPCYSV-MJGOQNOKSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1OC ZINC000539818771 1037234860 /nfs/dbraw/zinc/23/48/60/1037234860.db2.gz LEIJXTZTHPCYSV-MJGOQNOKSA-N 2 1 346.515 3.955 20 30 EHEDMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266317 1039022955 /nfs/dbraw/zinc/02/29/55/1039022955.db2.gz SFCCRWUUHWCMIJ-GCJKJVERSA-N 2 1 333.479 3.867 20 30 EHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825665 1042956717 /nfs/dbraw/zinc/95/67/17/1042956717.db2.gz SJWIGUCLWSPFNM-FPOVZHCZSA-N 2 1 349.563 3.530 20 30 EHEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236824306 1043036986 /nfs/dbraw/zinc/03/69/86/1043036986.db2.gz ZHEFPKHAJNCMKE-IBGZPJMESA-N 2 1 349.478 3.569 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711062 1126989710 /nfs/dbraw/zinc/98/97/10/1126989710.db2.gz RNCYGRLHPYRTGG-FUHWJXTLSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711062 1126989713 /nfs/dbraw/zinc/98/97/13/1126989713.db2.gz RNCYGRLHPYRTGG-FUHWJXTLSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404091542 1128676658 /nfs/dbraw/zinc/67/66/58/1128676658.db2.gz WTHJLBROQOYWLC-OXQOHEQNSA-N 2 1 337.442 3.840 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091542 1128676659 /nfs/dbraw/zinc/67/66/59/1128676659.db2.gz WTHJLBROQOYWLC-OXQOHEQNSA-N 2 1 337.442 3.840 20 30 EHEDMP C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976408 1128988912 /nfs/dbraw/zinc/98/89/12/1128988912.db2.gz FEHIICOYNAIYLB-QAPCUYQASA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976408 1128988914 /nfs/dbraw/zinc/98/89/14/1128988914.db2.gz FEHIICOYNAIYLB-QAPCUYQASA-N 2 1 325.481 3.620 20 30 EHEDMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(C#N)c1 ZINC000130789065 1123794335 /nfs/dbraw/zinc/79/43/35/1123794335.db2.gz QAOWEQFJABKQFW-UHFFFAOYSA-N 2 1 349.478 3.665 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099789 1125443628 /nfs/dbraw/zinc/44/36/28/1125443628.db2.gz XLQHXDUPSSAELN-ZIFCJYIRSA-N 2 1 341.499 3.720 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000390753879 1129632157 /nfs/dbraw/zinc/63/21/57/1129632157.db2.gz WJNCSZWPHXIUAL-NRFANRHFSA-N 2 1 333.479 3.949 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000390753879 1129632159 /nfs/dbraw/zinc/63/21/59/1129632159.db2.gz WJNCSZWPHXIUAL-NRFANRHFSA-N 2 1 333.479 3.949 20 30 EHEDMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720160 1129714850 /nfs/dbraw/zinc/71/48/50/1129714850.db2.gz PCALBSOCBNYFOC-LAUBAEHRSA-N 2 1 349.478 3.567 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000733322290 1131024416 /nfs/dbraw/zinc/02/44/16/1131024416.db2.gz QNQRHHIUAGBTRT-UHFFFAOYSA-N 2 1 348.490 3.843 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ncc3c2cccc3C[NH3+])cc1 ZINC001169196000 1132689048 /nfs/dbraw/zinc/68/90/48/1132689048.db2.gz XTWSETXEJCIISI-HXUWFJFHSA-N 2 1 332.451 3.807 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001182110173 1133574027 /nfs/dbraw/zinc/57/40/27/1133574027.db2.gz YZJXQZVJHXUIEH-OAHLLOKOSA-N 2 1 326.406 3.571 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001182110173 1133574029 /nfs/dbraw/zinc/57/40/29/1133574029.db2.gz YZJXQZVJHXUIEH-OAHLLOKOSA-N 2 1 326.406 3.571 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001171191953 1137298449 /nfs/dbraw/zinc/29/84/49/1137298449.db2.gz IVWWZDOGROALHD-IBGZPJMESA-N 2 1 347.506 3.786 20 30 EHEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578370 1137310854 /nfs/dbraw/zinc/31/08/54/1137310854.db2.gz BUXNDXUDAQNNLD-GOTSBHOMSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578370 1137310855 /nfs/dbraw/zinc/31/08/55/1137310855.db2.gz BUXNDXUDAQNNLD-GOTSBHOMSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578370 1137310856 /nfs/dbraw/zinc/31/08/56/1137310856.db2.gz BUXNDXUDAQNNLD-GOTSBHOMSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578370 1137310857 /nfs/dbraw/zinc/31/08/57/1137310857.db2.gz BUXNDXUDAQNNLD-GOTSBHOMSA-N 2 1 330.475 3.622 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1C#N ZINC000773086086 1137464405 /nfs/dbraw/zinc/46/44/05/1137464405.db2.gz YEPWLTYYQLWJMN-OXQOHEQNSA-N 2 1 341.499 3.700 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319101 1137546817 /nfs/dbraw/zinc/54/68/17/1137546817.db2.gz KZXIUSIECAXFPK-CVDCTZTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172319101 1137546819 /nfs/dbraw/zinc/54/68/19/1137546819.db2.gz KZXIUSIECAXFPK-CVDCTZTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172319101 1137546821 /nfs/dbraw/zinc/54/68/21/1137546821.db2.gz KZXIUSIECAXFPK-CVDCTZTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300088 1137549253 /nfs/dbraw/zinc/54/92/53/1137549253.db2.gz QRVFTNUDLKAZDS-ZPMCFJSWSA-N 2 1 348.494 3.656 20 30 EHEDMP C=CCc1cc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c(O)c(OC)c1 ZINC000884474909 1137960810 /nfs/dbraw/zinc/96/08/10/1137960810.db2.gz PXCYXZOBUFXXLG-UHFFFAOYSA-N 2 1 344.499 3.580 20 30 EHEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000886549433 1138094629 /nfs/dbraw/zinc/09/46/29/1138094629.db2.gz IBOFKYLVRCGQDM-TYPHKJRUSA-N 2 1 349.453 3.840 20 30 EHEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886549433 1138094632 /nfs/dbraw/zinc/09/46/32/1138094632.db2.gz IBOFKYLVRCGQDM-TYPHKJRUSA-N 2 1 349.453 3.840 20 30 EHEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)[NH+]2CCCC2)o1 ZINC000104191341 1139198628 /nfs/dbraw/zinc/19/86/28/1139198628.db2.gz LNSAPPNVAYBBGM-SFHVURJKSA-N 2 1 340.471 3.769 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000181573035 1139916493 /nfs/dbraw/zinc/91/64/93/1139916493.db2.gz ZQTRUBKJXLPLMV-MSOLQXFVSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000181573035 1139916494 /nfs/dbraw/zinc/91/64/94/1139916494.db2.gz ZQTRUBKJXLPLMV-MSOLQXFVSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190771292 1140417756 /nfs/dbraw/zinc/41/77/56/1140417756.db2.gz ROQAAIIPULCYFX-KRWDZBQOSA-N 2 1 336.483 3.561 20 30 EHEDMP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177693103 1018523341 /nfs/dbraw/zinc/52/33/41/1018523341.db2.gz XJEKZYNSHNLUHA-CQSZACIVSA-N 2 1 331.510 3.683 20 30 EHEDMP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000177693103 1018523353 /nfs/dbraw/zinc/52/33/53/1018523353.db2.gz XJEKZYNSHNLUHA-CQSZACIVSA-N 2 1 331.510 3.683 20 30 EHEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000398103217 1018970400 /nfs/dbraw/zinc/97/04/00/1018970400.db2.gz AUGUIIJLZVEULB-DYESRHJHSA-N 2 1 349.478 3.567 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cccc(C#N)n1 ZINC000602515177 1032925614 /nfs/dbraw/zinc/92/56/14/1032925614.db2.gz NTTXUDDZDIGXJB-QGZVFWFLSA-N 2 1 334.467 3.617 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602515177 1032925618 /nfs/dbraw/zinc/92/56/18/1032925618.db2.gz NTTXUDDZDIGXJB-QGZVFWFLSA-N 2 1 334.467 3.617 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602515177 1032925635 /nfs/dbraw/zinc/92/56/35/1032925635.db2.gz NTTXUDDZDIGXJB-QGZVFWFLSA-N 2 1 334.467 3.617 20 30 EHEDMP N#Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]c4ccsc43)CC2)c1 ZINC000593514885 1032954481 /nfs/dbraw/zinc/95/44/81/1032954481.db2.gz GKKBCVWVWWBRPP-UHFFFAOYSA-N 2 1 348.475 3.666 20 30 EHEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)[NH+]2CCCC2)o1 ZINC000261985398 1021277627 /nfs/dbraw/zinc/27/76/27/1021277627.db2.gz JPWAHFSTLFJWPP-SFHVURJKSA-N 2 1 340.471 3.769 20 30 EHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602574378 1032982739 /nfs/dbraw/zinc/98/27/39/1032982739.db2.gz ZONQYPGTLCYZKA-OALUTQOASA-N 2 1 343.515 3.586 20 30 EHEDMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000383094065 1023027697 /nfs/dbraw/zinc/02/76/97/1023027697.db2.gz XFHNMCRTNARUNA-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000383094065 1023027709 /nfs/dbraw/zinc/02/77/09/1023027709.db2.gz XFHNMCRTNARUNA-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000383094065 1023027720 /nfs/dbraw/zinc/02/77/20/1023027720.db2.gz XFHNMCRTNARUNA-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000383094065 1023027732 /nfs/dbraw/zinc/02/77/32/1023027732.db2.gz XFHNMCRTNARUNA-FQEVSTJZSA-N 2 1 349.478 3.521 20 30 EHEDMP N#CC1(c2ccccc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984389 1023085062 /nfs/dbraw/zinc/08/50/62/1023085062.db2.gz OLSMOPUJBRNHGH-CBQGHPETSA-N 2 1 349.522 3.949 20 30 EHEDMP N#CC1(c2ccccc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984389 1023085072 /nfs/dbraw/zinc/08/50/72/1023085072.db2.gz OLSMOPUJBRNHGH-CBQGHPETSA-N 2 1 349.522 3.949 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000506475362 1023234271 /nfs/dbraw/zinc/23/42/71/1023234271.db2.gz VUOAPJPWLMZUQF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475362 1023234274 /nfs/dbraw/zinc/23/42/74/1023234274.db2.gz VUOAPJPWLMZUQF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475362 1023234278 /nfs/dbraw/zinc/23/42/78/1023234278.db2.gz VUOAPJPWLMZUQF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475362 1023234285 /nfs/dbraw/zinc/23/42/85/1023234285.db2.gz VUOAPJPWLMZUQF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475362 1023234290 /nfs/dbraw/zinc/23/42/90/1023234290.db2.gz VUOAPJPWLMZUQF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808574 1023660272 /nfs/dbraw/zinc/66/02/72/1023660272.db2.gz MXXKYVKQKDLORK-NQIIRXRSSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535808574 1023660275 /nfs/dbraw/zinc/66/02/75/1023660275.db2.gz MXXKYVKQKDLORK-NQIIRXRSSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535808574 1023660279 /nfs/dbraw/zinc/66/02/79/1023660279.db2.gz MXXKYVKQKDLORK-NQIIRXRSSA-N 2 1 326.484 3.700 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442707081 1025434282 /nfs/dbraw/zinc/43/42/82/1025434282.db2.gz FSAYHGNMGRORMG-OVQGTLEDSA-N 2 1 325.500 3.946 20 30 EHEDMP N#Cc1ccccc1CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167635638 1028188747 /nfs/dbraw/zinc/18/87/47/1028188747.db2.gz PCOAAJQIJLOEOD-IBGZPJMESA-N 2 1 345.450 3.835 20 30 EHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424323464 1028970540 /nfs/dbraw/zinc/97/05/40/1028970540.db2.gz JEFRZBUOYHQPPG-CDJZJNNCSA-N 2 1 337.511 3.959 20 30 EHEDMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCCCC#N)c2)CC1 ZINC000092165493 1030393614 /nfs/dbraw/zinc/39/36/14/1030393614.db2.gz VROAVIDTIOEQRP-UHFFFAOYSA-N 2 1 329.488 3.675 20 30 EHEDMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC1 ZINC000092165493 1030393626 /nfs/dbraw/zinc/39/36/26/1030393626.db2.gz VROAVIDTIOEQRP-UHFFFAOYSA-N 2 1 329.488 3.675 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237514706 1030562645 /nfs/dbraw/zinc/56/26/45/1030562645.db2.gz SNFUZTFJIURWJK-KDURUIRLSA-N 2 1 343.515 3.827 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237514706 1030562659 /nfs/dbraw/zinc/56/26/59/1030562659.db2.gz SNFUZTFJIURWJK-KDURUIRLSA-N 2 1 343.515 3.827 20 30 EHEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977824 1032056837 /nfs/dbraw/zinc/05/68/37/1032056837.db2.gz WMZGNJRATFNDAW-XVFGAMNESA-N 2 1 341.499 3.567 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1O ZINC000173429642 1033327594 /nfs/dbraw/zinc/32/75/94/1033327594.db2.gz GOTKMAUTPRNTOZ-QGZVFWFLSA-N 2 1 346.515 3.683 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594956713 1033597749 /nfs/dbraw/zinc/59/77/49/1033597749.db2.gz ZDQIDFOWCFSUFU-GCJKJVERSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594956713 1033597757 /nfs/dbraw/zinc/59/77/57/1033597757.db2.gz ZDQIDFOWCFSUFU-GCJKJVERSA-N 2 1 333.479 3.743 20 30 EHEDMP CC1(C)C[N@@H+](CC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593154 1034308979 /nfs/dbraw/zinc/30/89/79/1034308979.db2.gz AFSVCIBKWANVGS-HXUWFJFHSA-N 2 1 337.511 3.913 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976644 1035047059 /nfs/dbraw/zinc/04/70/59/1035047059.db2.gz URIOIHQKPCUOAN-UHFFFAOYSA-N 2 1 336.479 3.829 20 30 EHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152479824 1036874863 /nfs/dbraw/zinc/87/48/63/1036874863.db2.gz AVOYUVHPYJMSSH-CVEARBPZSA-N 2 1 334.891 3.953 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC ZINC000539834676 1037262091 /nfs/dbraw/zinc/26/20/91/1037262091.db2.gz JDHYRGBFMNHYRY-IBGZPJMESA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OC ZINC000539834676 1037262110 /nfs/dbraw/zinc/26/21/10/1037262110.db2.gz JDHYRGBFMNHYRY-IBGZPJMESA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1OC ZINC000539834676 1037262124 /nfs/dbraw/zinc/26/21/24/1037262124.db2.gz JDHYRGBFMNHYRY-IBGZPJMESA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1OC ZINC000539834676 1037262133 /nfs/dbraw/zinc/26/21/33/1037262133.db2.gz JDHYRGBFMNHYRY-IBGZPJMESA-N 2 1 346.515 3.956 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462568 1040261727 /nfs/dbraw/zinc/26/17/27/1040261727.db2.gz GMYQFXPTQAYZLK-LPHOPBHVSA-N 2 1 337.442 3.870 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462568 1040261742 /nfs/dbraw/zinc/26/17/42/1040261742.db2.gz GMYQFXPTQAYZLK-LPHOPBHVSA-N 2 1 337.442 3.870 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000614168153 1040336886 /nfs/dbraw/zinc/33/68/86/1040336886.db2.gz UWZKWKKVUXEEKQ-FQEVSTJZSA-N 2 1 325.500 3.938 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000614168153 1040336901 /nfs/dbraw/zinc/33/69/01/1040336901.db2.gz UWZKWKKVUXEEKQ-FQEVSTJZSA-N 2 1 325.500 3.938 20 30 EHEDMP C[N@H+]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)C[C@H]1c1ccccc1 ZINC000566568994 1040549612 /nfs/dbraw/zinc/54/96/12/1040549612.db2.gz YSCCPHKSHLREFY-SFTDATJTSA-N 2 1 331.463 3.972 20 30 EHEDMP C=CCc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000500287270 1040934862 /nfs/dbraw/zinc/93/48/62/1040934862.db2.gz KCLVULGDTPDZCM-CALCHBBNSA-N 2 1 346.515 3.587 20 30 EHEDMP C=CCc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000500287270 1040934879 /nfs/dbraw/zinc/93/48/79/1040934879.db2.gz KCLVULGDTPDZCM-CALCHBBNSA-N 2 1 346.515 3.587 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000921990625 1129007411 /nfs/dbraw/zinc/00/74/11/1129007411.db2.gz IKJAJYLOXOHCCW-YSIASYRMSA-N 2 1 337.492 3.620 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000921990625 1129007414 /nfs/dbraw/zinc/00/74/14/1129007414.db2.gz IKJAJYLOXOHCCW-YSIASYRMSA-N 2 1 337.492 3.620 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279869 /nfs/dbraw/zinc/27/98/69/1125279869.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279873 /nfs/dbraw/zinc/27/98/73/1125279873.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279875 /nfs/dbraw/zinc/27/98/75/1125279875.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 2 1 346.515 3.812 20 30 EHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(C#N)c1 ZINC000092821133 1129563303 /nfs/dbraw/zinc/56/33/03/1129563303.db2.gz CSCLPBXMCIORNA-UHFFFAOYSA-N 2 1 334.467 3.692 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000390743514 1129631605 /nfs/dbraw/zinc/63/16/05/1129631605.db2.gz SREKEAQEMNLDBV-OAQYLSRUSA-N 2 1 333.479 3.949 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000390743514 1129631607 /nfs/dbraw/zinc/63/16/07/1129631607.db2.gz SREKEAQEMNLDBV-OAQYLSRUSA-N 2 1 333.479 3.949 20 30 EHEDMP C=CCOC1CCC([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001173326556 1132048042 /nfs/dbraw/zinc/04/80/42/1132048042.db2.gz KGKFYAZFYLQARX-HWELCPFYSA-N 2 1 342.527 3.954 20 30 EHEDMP C=CCOC1CCC([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173326556 1132048049 /nfs/dbraw/zinc/04/80/49/1132048049.db2.gz KGKFYAZFYLQARX-HWELCPFYSA-N 2 1 342.527 3.954 20 30 EHEDMP C=CCOC1CCC([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173326556 1132048058 /nfs/dbraw/zinc/04/80/58/1132048058.db2.gz KGKFYAZFYLQARX-HWELCPFYSA-N 2 1 342.527 3.954 20 30 EHEDMP CC1(C#N)CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173595767 1132098762 /nfs/dbraw/zinc/09/87/62/1132098762.db2.gz WIVRSXMWQZZFCM-GIOYIUAESA-N 2 1 329.513 3.584 20 30 EHEDMP CC1(C#N)CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173595767 1132098768 /nfs/dbraw/zinc/09/87/68/1132098768.db2.gz WIVRSXMWQZZFCM-GIOYIUAESA-N 2 1 329.513 3.584 20 30 EHEDMP CC1(C#N)CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173595767 1132098774 /nfs/dbraw/zinc/09/87/74/1132098774.db2.gz WIVRSXMWQZZFCM-GIOYIUAESA-N 2 1 329.513 3.584 20 30 EHEDMP CC1(C#N)CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173595767 1132098780 /nfs/dbraw/zinc/09/87/80/1132098780.db2.gz WIVRSXMWQZZFCM-GIOYIUAESA-N 2 1 329.513 3.584 20 30 EHEDMP C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169140338 1132666995 /nfs/dbraw/zinc/66/69/95/1132666995.db2.gz FRCSSUDUPSSDHK-KUHUBIRLSA-N 2 1 327.476 3.573 20 30 EHEDMP CC(C)[Si](C#C[NH2+]Cc1ncn2c1C[NH2+]CCC2)(C(C)C)C(C)C ZINC001169241178 1132707946 /nfs/dbraw/zinc/70/79/46/1132707946.db2.gz QWPCCSXRHFZHRA-UHFFFAOYSA-N 2 1 346.595 3.645 20 30 EHEDMP CC(C)C[N@@H+](CCCOc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC001175600852 1132708095 /nfs/dbraw/zinc/70/80/95/1132708095.db2.gz CRMMMGLLJHKMQE-UHFFFAOYSA-N 2 1 343.515 3.627 20 30 EHEDMP C=C(C)CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001194051822 1135221076 /nfs/dbraw/zinc/22/10/76/1135221076.db2.gz JRAGOKVLHGNAEJ-JOCHJYFZSA-N 2 1 338.495 3.558 20 30 EHEDMP C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC001194051822 1135221080 /nfs/dbraw/zinc/22/10/80/1135221080.db2.gz JRAGOKVLHGNAEJ-JOCHJYFZSA-N 2 1 338.495 3.558 20 30 EHEDMP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC001194051822 1135221082 /nfs/dbraw/zinc/22/10/82/1135221082.db2.gz JRAGOKVLHGNAEJ-JOCHJYFZSA-N 2 1 338.495 3.558 20 30 EHEDMP C=CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000105442623 1135947872 /nfs/dbraw/zinc/94/78/72/1135947872.db2.gz AGUMXCUDGGUGCK-AWEZNQCLSA-N 2 1 333.863 3.836 20 30 EHEDMP CCCCCCCC[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201813630 1136065149 /nfs/dbraw/zinc/06/51/49/1136065149.db2.gz HTAVPFVQNCSBTB-UXHICEINSA-N 2 1 332.536 3.534 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000815652195 1136626870 /nfs/dbraw/zinc/62/68/70/1136626870.db2.gz TYTRPFQUCBVEAJ-HNNXBMFYSA-N 2 1 341.318 3.506 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000815652630 1136626404 /nfs/dbraw/zinc/62/64/04/1136626404.db2.gz KKSFAAWTDNTEFF-AWEZNQCLSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000815652630 1136626405 /nfs/dbraw/zinc/62/64/05/1136626405.db2.gz KKSFAAWTDNTEFF-AWEZNQCLSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000815652195 1136626868 /nfs/dbraw/zinc/62/68/68/1136626868.db2.gz TYTRPFQUCBVEAJ-HNNXBMFYSA-N 2 1 341.318 3.506 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815652809 1136626886 /nfs/dbraw/zinc/62/68/86/1136626886.db2.gz ULRWCXBEIVVVJF-IBGZPJMESA-N 2 1 327.516 3.673 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815652809 1136626887 /nfs/dbraw/zinc/62/68/87/1136626887.db2.gz ULRWCXBEIVVVJF-IBGZPJMESA-N 2 1 327.516 3.673 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171179284 1137290824 /nfs/dbraw/zinc/29/08/24/1137290824.db2.gz QNAKTFIZXOLKOH-XXBNENTESA-N 2 1 347.506 3.991 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198598 1137309807 /nfs/dbraw/zinc/30/98/07/1137309807.db2.gz NLWYHZXKVQBEEE-XJABCFGWSA-N 2 1 348.494 3.656 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300086 1137549283 /nfs/dbraw/zinc/54/92/83/1137549283.db2.gz QRVFTNUDLKAZDS-HSQYWUDLSA-N 2 1 348.494 3.656 20 30 EHEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876708706 1137659506 /nfs/dbraw/zinc/65/95/06/1137659506.db2.gz YSLIZBQIWSBBJW-QGZVFWFLSA-N 2 1 349.906 3.860 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1Cc2ccccc2O1 ZINC000883167864 1137846938 /nfs/dbraw/zinc/84/69/38/1137846938.db2.gz JOPGRDAVPGKAMU-TZIWHRDSSA-N 2 1 326.484 3.541 20 30 EHEDMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352632 564008782 /nfs/dbraw/zinc/00/87/82/564008782.db2.gz UJQXQURAIQULSJ-KRWDZBQOSA-N 2 1 338.430 3.528 20 30 EHEDMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352632 564008783 /nfs/dbraw/zinc/00/87/83/564008783.db2.gz UJQXQURAIQULSJ-KRWDZBQOSA-N 2 1 338.430 3.528 20 30 EHEDMP COc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311869608 1017044843 /nfs/dbraw/zinc/04/48/43/1017044843.db2.gz YXQCRPSZVHSLAY-QFIPXVFZSA-N 2 1 349.478 3.569 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000728712076 1018361628 /nfs/dbraw/zinc/36/16/28/1018361628.db2.gz XWGYJRHGIVTSFA-MSOLQXFVSA-N 2 1 329.488 3.722 20 30 EHEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000377886203 1018514948 /nfs/dbraw/zinc/51/49/48/1018514948.db2.gz ZCOWAVXMNXNYRO-HXUWFJFHSA-N 2 1 341.499 3.533 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280534253 1020462472 /nfs/dbraw/zinc/46/24/72/1020462472.db2.gz AFPXYDZEOVUUNT-PBASOCQRSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280534253 1020462481 /nfs/dbraw/zinc/46/24/81/1020462481.db2.gz AFPXYDZEOVUUNT-PBASOCQRSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280534244 1020462889 /nfs/dbraw/zinc/46/28/89/1020462889.db2.gz AFPXYDZEOVUUNT-KCLUMXDGSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280534244 1020462895 /nfs/dbraw/zinc/46/28/95/1020462895.db2.gz AFPXYDZEOVUUNT-KCLUMXDGSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185321 1021115004 /nfs/dbraw/zinc/11/50/04/1021115004.db2.gz FAAHASNRUWTPKE-OAQYLSRUSA-N 2 1 341.543 3.670 20 30 EHEDMP CC(C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000574305596 1033036175 /nfs/dbraw/zinc/03/61/75/1033036175.db2.gz UWNPXANUXZXJIZ-UHFFFAOYSA-N 2 1 339.405 3.789 20 30 EHEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000449737257 1033136063 /nfs/dbraw/zinc/13/60/63/1033136063.db2.gz RBXFNIKEGMZVGU-BEFAXECRSA-N 2 1 329.463 3.830 20 30 EHEDMP CC(C)(C#N)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375767847 1033147353 /nfs/dbraw/zinc/14/73/53/1033147353.db2.gz JVJUEEBSZLVVAQ-NRFANRHFSA-N 2 1 325.500 3.914 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375767847 1033147355 /nfs/dbraw/zinc/14/73/55/1033147355.db2.gz JVJUEEBSZLVVAQ-NRFANRHFSA-N 2 1 325.500 3.914 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375767847 1033147364 /nfs/dbraw/zinc/14/73/64/1033147364.db2.gz JVJUEEBSZLVVAQ-NRFANRHFSA-N 2 1 325.500 3.914 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000105442912 1024394587 /nfs/dbraw/zinc/39/45/87/1024394587.db2.gz XKKJDEFIIAYBCM-INIZCTEOSA-N 2 1 343.471 3.581 20 30 EHEDMP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(C#N)cc1 ZINC000346129078 1024430734 /nfs/dbraw/zinc/43/07/34/1024430734.db2.gz FVMALRSAIHSMCU-UHFFFAOYSA-N 2 1 345.450 3.860 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442719541 1025453131 /nfs/dbraw/zinc/45/31/31/1025453131.db2.gz QFUOAGCVYNFCKI-NYUBLWNDSA-N 2 1 325.500 3.946 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237591208 1028656071 /nfs/dbraw/zinc/65/60/71/1028656071.db2.gz GWBDULONDLESKK-GOSISDBHSA-N 2 1 349.478 3.732 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000424297028 1028939350 /nfs/dbraw/zinc/93/93/50/1028939350.db2.gz PPFNDNYAHXIYKP-CUUWFGFTSA-N 2 1 340.511 3.610 20 30 EHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000657899489 1033441406 /nfs/dbraw/zinc/44/14/06/1033441406.db2.gz BFQZKDGFOVEINL-PKOBYXMFSA-N 2 1 328.504 3.787 20 30 EHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000657899465 1033441859 /nfs/dbraw/zinc/44/18/59/1033441859.db2.gz BFQZKDGFOVEINL-HKUYNNGSSA-N 2 1 328.504 3.787 20 30 EHEDMP CC1(C)C[N@@H+](CC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593146 1034309624 /nfs/dbraw/zinc/30/96/24/1034309624.db2.gz AFSVCIBKWANVGS-FQEVSTJZSA-N 2 1 337.511 3.913 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426765 1034867579 /nfs/dbraw/zinc/86/75/79/1034867579.db2.gz RYBNHSGINBMJTE-OAQYLSRUSA-N 2 1 348.490 3.700 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426765 1034867592 /nfs/dbraw/zinc/86/75/92/1034867592.db2.gz RYBNHSGINBMJTE-OAQYLSRUSA-N 2 1 348.490 3.700 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000365271275 1034999123 /nfs/dbraw/zinc/99/91/23/1034999123.db2.gz UNASPYRDEINYJX-IIBYNOLFSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271275 1034999131 /nfs/dbraw/zinc/99/91/31/1034999131.db2.gz UNASPYRDEINYJX-IIBYNOLFSA-N 2 1 337.442 3.698 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000613256193 1035478258 /nfs/dbraw/zinc/47/82/58/1035478258.db2.gz QREOVRHFPRPMMG-LLVBAIKDSA-N 2 1 337.511 3.959 20 30 EHEDMP C[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000399040466 1036606598 /nfs/dbraw/zinc/60/65/98/1036606598.db2.gz RAZGVGIDMYSEER-QFIPXVFZSA-N 2 1 333.479 3.707 20 30 EHEDMP C[NH+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399040466 1036606605 /nfs/dbraw/zinc/60/66/05/1036606605.db2.gz RAZGVGIDMYSEER-QFIPXVFZSA-N 2 1 333.479 3.707 20 30 EHEDMP C[NH+](Cc1ccc(CC#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399040466 1036606613 /nfs/dbraw/zinc/60/66/13/1036606613.db2.gz RAZGVGIDMYSEER-QFIPXVFZSA-N 2 1 333.479 3.707 20 30 EHEDMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266320 1039023511 /nfs/dbraw/zinc/02/35/11/1039023511.db2.gz SFCCRWUUHWCMIJ-XMSQKQJNSA-N 2 1 333.479 3.867 20 30 EHEDMP C=CCOc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000552356308 1039206361 /nfs/dbraw/zinc/20/63/61/1039206361.db2.gz MLHZCYVBJFEDJU-IBGZPJMESA-N 2 1 334.891 3.823 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000236688581 1039278608 /nfs/dbraw/zinc/27/86/08/1039278608.db2.gz DERCYCYWSYRMHE-UHFFFAOYSA-N 2 1 348.490 3.974 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000106245776 1044483101 /nfs/dbraw/zinc/48/31/01/1044483101.db2.gz OZJUVJNQENWFBW-UHFFFAOYSA-N 2 1 344.890 3.860 20 30 EHEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982213 /nfs/dbraw/zinc/98/22/13/1128982213.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982216 /nfs/dbraw/zinc/98/22/16/1128982216.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982217 /nfs/dbraw/zinc/98/22/17/1128982217.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 2 1 331.463 3.512 20 30 EHEDMP C=C(Br)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762925174 1121525824 /nfs/dbraw/zinc/52/58/24/1121525824.db2.gz BYLKCUKYXOGKME-UHFFFAOYSA-N 2 1 349.316 3.883 20 30 EHEDMP C=C(Br)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925174 1121525828 /nfs/dbraw/zinc/52/58/28/1121525828.db2.gz BYLKCUKYXOGKME-UHFFFAOYSA-N 2 1 349.316 3.883 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248862249 1124709592 /nfs/dbraw/zinc/70/95/92/1124709592.db2.gz PVHGEPLDNOCXLW-GBMAXXPESA-N 2 1 325.500 3.815 20 30 EHEDMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720154 1129714757 /nfs/dbraw/zinc/71/47/57/1129714757.db2.gz PCALBSOCBNYFOC-DYESRHJHSA-N 2 1 349.478 3.567 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647196 1132198471 /nfs/dbraw/zinc/19/84/71/1132198471.db2.gz KDWRNKSSTBMHNR-UGKGYDQZSA-N 2 1 348.490 3.841 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647196 1132198475 /nfs/dbraw/zinc/19/84/75/1132198475.db2.gz KDWRNKSSTBMHNR-UGKGYDQZSA-N 2 1 348.490 3.841 20 30 EHEDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349962 1132646224 /nfs/dbraw/zinc/64/62/24/1132646224.db2.gz GUNZFWAZGSZSOU-HXUWFJFHSA-N 2 1 347.547 3.673 20 30 EHEDMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170396314 1134764121 /nfs/dbraw/zinc/76/41/21/1134764121.db2.gz XMCNVETXLCDIAK-UHFFFAOYSA-N 2 1 337.511 3.949 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196937395 1135631396 /nfs/dbraw/zinc/63/13/96/1135631396.db2.gz YSSNAHSNJYZOKS-NRFANRHFSA-N 2 1 325.500 3.953 20 30 EHEDMP C#CCCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738622 1135882704 /nfs/dbraw/zinc/88/27/04/1135882704.db2.gz BZTARYXMELMTHD-UHFFFAOYSA-N 2 1 336.479 3.782 20 30 EHEDMP CCCCCCCC[N@H+]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001201813631 1136064964 /nfs/dbraw/zinc/06/49/64/1136064964.db2.gz HTAVPFVQNCSBTB-WOJBJXKFSA-N 2 1 332.536 3.534 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001171195910 1137302049 /nfs/dbraw/zinc/30/20/49/1137302049.db2.gz WFJMRHXDMGOJQJ-UTKZUKDTSA-N 2 1 325.500 3.733 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001171195910 1137302050 /nfs/dbraw/zinc/30/20/50/1137302050.db2.gz WFJMRHXDMGOJQJ-UTKZUKDTSA-N 2 1 325.500 3.733 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001171221121 1137346908 /nfs/dbraw/zinc/34/69/08/1137346908.db2.gz IJCOSICWOWWARK-WIYYLYMNSA-N 2 1 325.500 3.830 20 30 EHEDMP C=CCOc1ccccc1[C@H](C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171373087 1137460471 /nfs/dbraw/zinc/46/04/71/1137460471.db2.gz DFAWRQDJNQUJNY-HNNXBMFYSA-N 2 1 348.450 3.759 20 30 EHEDMP C#CCCCCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000876782224 1137661209 /nfs/dbraw/zinc/66/12/09/1137661209.db2.gz UZONFLGZJZUHFW-UHFFFAOYSA-N 2 1 347.591 3.698 20 30 EHEDMP C#CCCCCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876782224 1137661210 /nfs/dbraw/zinc/66/12/10/1137661210.db2.gz UZONFLGZJZUHFW-UHFFFAOYSA-N 3 1 347.591 3.698 20 30 EHEDMP C#CCCCCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876782224 1137661211 /nfs/dbraw/zinc/66/12/11/1137661211.db2.gz UZONFLGZJZUHFW-UHFFFAOYSA-N 3 1 347.591 3.698 20 30 EHEDMP Cc1[nH]c(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)[nH+]c1C ZINC000886664425 1138111122 /nfs/dbraw/zinc/11/11/22/1138111122.db2.gz MEFYCQYRDIDLIA-UHFFFAOYSA-N 2 1 338.455 3.547 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174273949 1139410845 /nfs/dbraw/zinc/41/08/45/1139410845.db2.gz JQCIXJJQYQSOEM-CALCHBBNSA-N 2 1 337.467 3.919 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174273949 1139410848 /nfs/dbraw/zinc/41/08/48/1139410848.db2.gz JQCIXJJQYQSOEM-CALCHBBNSA-N 2 1 337.467 3.919 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176992749 1139591764 /nfs/dbraw/zinc/59/17/64/1139591764.db2.gz LHPMJHNJXWQNTG-UHFFFAOYSA-N 2 1 326.484 3.585 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000183157930 1125458580 /nfs/dbraw/zinc/45/85/80/1125458580.db2.gz ZOQWCZCGOZZTTN-MRXNPFEDSA-N 2 1 346.434 3.782 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172836 1032267312 /nfs/dbraw/zinc/26/73/12/1032267312.db2.gz MNCFVDJCKPNMAX-RCKXYERXSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172836 1032267325 /nfs/dbraw/zinc/26/73/25/1032267325.db2.gz MNCFVDJCKPNMAX-RCKXYERXSA-N 2 1 325.500 3.959 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(C#N)o3)cc2)CC1 ZINC000151365864 1021368772 /nfs/dbraw/zinc/36/87/72/1021368772.db2.gz PRMCHOVPHZNXJX-UHFFFAOYSA-N 2 1 338.455 3.541 20 30 EHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000602606739 1033024651 /nfs/dbraw/zinc/02/46/51/1033024651.db2.gz GLHQOEOPPNCELW-AYWYSENESA-N 2 1 325.500 3.817 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000280776956 1022469223 /nfs/dbraw/zinc/46/92/23/1022469223.db2.gz HSGGXNBJQFLXQS-QSFXBCCZSA-N 2 1 325.456 3.813 20 30 EHEDMP C[C@@H](CCC#N)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000602668963 1033067238 /nfs/dbraw/zinc/06/72/38/1033067238.db2.gz GVVUIVOCARBYEZ-IBGZPJMESA-N 2 1 325.500 3.914 20 30 EHEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810024 1023651189 /nfs/dbraw/zinc/65/11/89/1023651189.db2.gz WGXGKHIZKAOEAR-GHTZIAJQSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535810024 1023651195 /nfs/dbraw/zinc/65/11/95/1023651195.db2.gz WGXGKHIZKAOEAR-GHTZIAJQSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535810024 1023651200 /nfs/dbraw/zinc/65/12/00/1023651200.db2.gz WGXGKHIZKAOEAR-GHTZIAJQSA-N 2 1 326.484 3.700 20 30 EHEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000435730559 1025098637 /nfs/dbraw/zinc/09/86/37/1025098637.db2.gz FMZSBDPBOOZTKF-WOJBJXKFSA-N 2 1 330.516 3.715 20 30 EHEDMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C#N)cc1 ZINC000278373061 1030457478 /nfs/dbraw/zinc/45/74/78/1030457478.db2.gz CJTXFPJRWWLMLL-FQEVSTJZSA-N 2 1 349.482 3.675 20 30 EHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925551 1033546438 /nfs/dbraw/zinc/54/64/38/1033546438.db2.gz NUUOXOYOEDIIPN-SFHVURJKSA-N 2 1 325.500 3.986 20 30 EHEDMP CC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029800 1033983884 /nfs/dbraw/zinc/98/38/84/1033983884.db2.gz BLXYYFWYUSCACI-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000595909251 1034027112 /nfs/dbraw/zinc/02/71/12/1034027112.db2.gz KWJUQWIKQFIDRK-CXAGYDPISA-N 2 1 339.405 3.916 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272147083 1037101025 /nfs/dbraw/zinc/10/10/25/1037101025.db2.gz CQLNCIWUSFERCE-JXFKEZNVSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272147083 1037101033 /nfs/dbraw/zinc/10/10/33/1037101033.db2.gz CQLNCIWUSFERCE-JXFKEZNVSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000538507850 1038348758 /nfs/dbraw/zinc/34/87/58/1038348758.db2.gz HVUYURBVKCRMOP-MRXNPFEDSA-N 2 1 337.442 3.796 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000538507850 1038348772 /nfs/dbraw/zinc/34/87/72/1038348772.db2.gz HVUYURBVKCRMOP-MRXNPFEDSA-N 2 1 337.442 3.796 20 30 EHEDMP N#CC1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517960 1039185948 /nfs/dbraw/zinc/18/59/48/1039185948.db2.gz DXICJDKOSBEXNY-DYSAJFINSA-N 2 1 337.511 3.959 20 30 EHEDMP C=CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676321 1042824670 /nfs/dbraw/zinc/82/46/70/1042824670.db2.gz VAQIKKLZMAHSMH-DYESRHJHSA-N 2 1 341.499 3.555 20 30 EHEDMP C=CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000662675682 1042825247 /nfs/dbraw/zinc/82/52/47/1042825247.db2.gz PRWYKXVXKFSKLA-UWJYYQICSA-N 2 1 341.499 3.698 20 30 EHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825667 1042956136 /nfs/dbraw/zinc/95/61/36/1042956136.db2.gz SJWIGUCLWSPFNM-TZIWHRDSSA-N 2 1 349.563 3.530 20 30 EHEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001167838175 1043047317 /nfs/dbraw/zinc/04/73/17/1043047317.db2.gz RFWITZHAAGMPHO-GHTZIAJQSA-N 2 1 343.515 3.912 20 30 EHEDMP COc1cccc(C[N@@H+]([C@@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172494009 1131757611 /nfs/dbraw/zinc/75/76/11/1131757611.db2.gz XGHBGNOMQSWMBL-WDSOQIARSA-N 2 1 329.488 3.849 20 30 EHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000768927831 1133205138 /nfs/dbraw/zinc/20/51/38/1133205138.db2.gz XLFNPOZXSDXLTB-KRWDZBQOSA-N 2 1 329.488 3.530 20 30 EHEDMP SC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076256 1137530294 /nfs/dbraw/zinc/53/02/94/1137530294.db2.gz XGXUHTUFCZYSLJ-REPLKXPHSA-N 2 1 330.541 3.966 20 30 EHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876980526 1137666876 /nfs/dbraw/zinc/66/68/76/1137666876.db2.gz GIPDVHBRCMDTFX-UHFFFAOYSA-N 2 1 342.874 3.737 20 30 EHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876980526 1137666877 /nfs/dbraw/zinc/66/68/77/1137666877.db2.gz GIPDVHBRCMDTFX-UHFFFAOYSA-N 2 1 342.874 3.737 20 30 EHEDMP Cc1[nH]c(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886659518 1138109923 /nfs/dbraw/zinc/10/99/23/1138109923.db2.gz OPCBUKYGHPYXPY-UHFFFAOYSA-N 2 1 327.859 3.911 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102234 1138728682 /nfs/dbraw/zinc/72/86/82/1138728682.db2.gz XWQHPRJKCUSASR-AZUAARDMSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102234 1138728684 /nfs/dbraw/zinc/72/86/84/1138728684.db2.gz XWQHPRJKCUSASR-AZUAARDMSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102234 1138728688 /nfs/dbraw/zinc/72/86/88/1138728688.db2.gz XWQHPRJKCUSASR-AZUAARDMSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102234 1138728690 /nfs/dbraw/zinc/72/86/90/1138728690.db2.gz XWQHPRJKCUSASR-AZUAARDMSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000181573050 1139916239 /nfs/dbraw/zinc/91/62/39/1139916239.db2.gz ZQTRUBKJXLPLMV-ROUUACIJSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000181573050 1139916244 /nfs/dbraw/zinc/91/62/44/1139916244.db2.gz ZQTRUBKJXLPLMV-ROUUACIJSA-N 2 1 349.478 3.630 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000187271144 1015040171 /nfs/dbraw/zinc/04/01/71/1015040171.db2.gz GXFXKWNFNMPSGC-MRXNPFEDSA-N 2 1 334.479 3.643 20 30 EHEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904577759 1032117184 /nfs/dbraw/zinc/11/71/84/1032117184.db2.gz ULOMALHMXNQJHR-QGZVFWFLSA-N 2 1 326.444 3.689 20 30 EHEDMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449128422 1032220342 /nfs/dbraw/zinc/22/03/42/1032220342.db2.gz SFKNUPIZFZVESX-NYLDSWQDSA-N 2 1 343.515 3.758 20 30 EHEDMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449128422 1032220351 /nfs/dbraw/zinc/22/03/51/1032220351.db2.gz SFKNUPIZFZVESX-NYLDSWQDSA-N 2 1 343.515 3.758 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639145444 1017426132 /nfs/dbraw/zinc/42/61/32/1017426132.db2.gz LJVDMPXTWWTDCP-CZAYHTPWSA-N 2 1 340.511 3.925 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639145444 1017426142 /nfs/dbraw/zinc/42/61/42/1017426142.db2.gz LJVDMPXTWWTDCP-CZAYHTPWSA-N 2 1 340.511 3.925 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537401376 1032705615 /nfs/dbraw/zinc/70/56/15/1032705615.db2.gz ZBBBDWNEXGCUOC-MRXNPFEDSA-N 2 1 325.431 3.870 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537401376 1032705630 /nfs/dbraw/zinc/70/56/30/1032705630.db2.gz ZBBBDWNEXGCUOC-MRXNPFEDSA-N 2 1 325.431 3.870 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000614396874 1018962441 /nfs/dbraw/zinc/96/24/41/1018962441.db2.gz WGCLBGBPYQEKBV-FQEVSTJZSA-N 2 1 325.500 3.811 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000614396874 1018962450 /nfs/dbraw/zinc/96/24/50/1018962450.db2.gz WGCLBGBPYQEKBV-FQEVSTJZSA-N 2 1 325.500 3.811 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000614397432 1018964670 /nfs/dbraw/zinc/96/46/70/1018964670.db2.gz WDLAMXVEAZYNMQ-HXUWFJFHSA-N 2 1 325.500 3.955 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000614397432 1018964681 /nfs/dbraw/zinc/96/46/81/1018964681.db2.gz WDLAMXVEAZYNMQ-HXUWFJFHSA-N 2 1 325.500 3.955 20 30 EHEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000513507144 1019751209 /nfs/dbraw/zinc/75/12/09/1019751209.db2.gz TUPQQVWOJVHUDH-AVRDEDQJSA-N 2 1 333.479 3.949 20 30 EHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544249 1032953316 /nfs/dbraw/zinc/95/33/16/1032953316.db2.gz GQODPIHHVZCBIZ-QZTJIDSGSA-N 2 1 335.536 3.576 20 30 EHEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000602552119 1032967492 /nfs/dbraw/zinc/96/74/92/1032967492.db2.gz SQVRSFJCFXKYMU-QGZVFWFLSA-N 2 1 325.456 3.941 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccco1 ZINC000276511207 1021551322 /nfs/dbraw/zinc/55/13/22/1021551322.db2.gz ZHRWBMLISKIRCC-GBESFXJTSA-N 2 1 332.488 3.644 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000153057000 1026914990 /nfs/dbraw/zinc/91/49/90/1026914990.db2.gz QXOYAVVMNPNCBQ-MRXNPFEDSA-N 2 1 331.460 3.546 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000421352837 1028298139 /nfs/dbraw/zinc/29/81/39/1028298139.db2.gz DOQPYRPOQOJMGC-VQIMIIECSA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000421352837 1028298156 /nfs/dbraw/zinc/29/81/56/1028298156.db2.gz DOQPYRPOQOJMGC-VQIMIIECSA-N 2 1 343.471 3.932 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000421865913 1028859928 /nfs/dbraw/zinc/85/99/28/1028859928.db2.gz ARXZQBZGOCSOGP-BCDXTJNWSA-N 2 1 337.492 3.905 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000421865913 1028859942 /nfs/dbraw/zinc/85/99/42/1028859942.db2.gz ARXZQBZGOCSOGP-BCDXTJNWSA-N 2 1 337.492 3.905 20 30 EHEDMP N#CCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000583811878 1030808473 /nfs/dbraw/zinc/80/84/73/1030808473.db2.gz DSASFMKOAIBGEO-UHFFFAOYSA-N 2 1 333.479 3.549 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC1CC1 ZINC000537849778 1031964555 /nfs/dbraw/zinc/96/45/55/1031964555.db2.gz RPFGENUPEITGCH-UHFFFAOYSA-N 2 1 325.500 3.892 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594956712 1033598917 /nfs/dbraw/zinc/59/89/17/1033598917.db2.gz ZDQIDFOWCFSUFU-AVRDEDQJSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594956712 1033598921 /nfs/dbraw/zinc/59/89/21/1033598921.db2.gz ZDQIDFOWCFSUFU-AVRDEDQJSA-N 2 1 333.479 3.743 20 30 EHEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC000164395275 1035535997 /nfs/dbraw/zinc/53/59/97/1035535997.db2.gz SUPWUJPHZYZVGZ-LJQANCHMSA-N 2 1 344.499 3.580 20 30 EHEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000541909175 1036796609 /nfs/dbraw/zinc/79/66/09/1036796609.db2.gz MHWCCBJKLMXNOQ-IBGZPJMESA-N 2 1 349.478 3.521 20 30 EHEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000541909175 1036796624 /nfs/dbraw/zinc/79/66/24/1036796624.db2.gz MHWCCBJKLMXNOQ-IBGZPJMESA-N 2 1 349.478 3.521 20 30 EHEDMP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488425948 1039161948 /nfs/dbraw/zinc/16/19/48/1039161948.db2.gz HAHUFEMGDDLQHJ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000488425948 1039161964 /nfs/dbraw/zinc/16/19/64/1039161964.db2.gz HAHUFEMGDDLQHJ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488425948 1039161979 /nfs/dbraw/zinc/16/19/79/1039161979.db2.gz HAHUFEMGDDLQHJ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488425948 1039161989 /nfs/dbraw/zinc/16/19/89/1039161989.db2.gz HAHUFEMGDDLQHJ-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520458 1039193263 /nfs/dbraw/zinc/19/32/63/1039193263.db2.gz ZDDQCUOAILMSCR-PBASOCQRSA-N 2 1 325.500 3.817 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185749147 1039200663 /nfs/dbraw/zinc/20/06/63/1039200663.db2.gz FOIQGYCWBYSNPE-ICSRJNTNSA-N 2 1 340.515 3.959 20 30 EHEDMP C=CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000668551397 1039576309 /nfs/dbraw/zinc/57/63/09/1039576309.db2.gz MBWOJVAIGCNUMF-FQEVSTJZSA-N 2 1 340.511 3.899 20 30 EHEDMP C=CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000668551397 1039576331 /nfs/dbraw/zinc/57/63/31/1039576331.db2.gz MBWOJVAIGCNUMF-FQEVSTJZSA-N 2 1 340.511 3.899 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642391 1040382530 /nfs/dbraw/zinc/38/25/30/1040382530.db2.gz PEQZBZWGCAXEIH-XPWALMASSA-N 2 1 345.490 3.949 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185384756 1126883217 /nfs/dbraw/zinc/88/32/17/1126883217.db2.gz JIYYLLSCMBNFLJ-MRXNPFEDSA-N 2 1 328.500 3.962 20 30 EHEDMP C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131206272 1126968213 /nfs/dbraw/zinc/96/82/13/1126968213.db2.gz SMTXRTGBYMGAER-UHFFFAOYSA-N 2 1 349.478 3.665 20 30 EHEDMP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[N@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000915271143 1121291994 /nfs/dbraw/zinc/29/19/94/1121291994.db2.gz LJAKIMZAWUKYMT-NXLNCYEBSA-N 2 1 331.504 3.920 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000619748975 1125400887 /nfs/dbraw/zinc/40/08/87/1125400887.db2.gz ZWJJRUKAAVJXLK-UHFFFAOYSA-N 2 1 339.870 3.966 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206050 1129335926 /nfs/dbraw/zinc/33/59/26/1129335926.db2.gz LFGGYZJVDREXLT-NQIIRXRSSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206050 1129335931 /nfs/dbraw/zinc/33/59/31/1129335931.db2.gz LFGGYZJVDREXLT-NQIIRXRSSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206050 1129335936 /nfs/dbraw/zinc/33/59/36/1129335936.db2.gz LFGGYZJVDREXLT-NQIIRXRSSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206050 1129335940 /nfs/dbraw/zinc/33/59/40/1129335940.db2.gz LFGGYZJVDREXLT-NQIIRXRSSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971028 1130335370 /nfs/dbraw/zinc/33/53/70/1130335370.db2.gz ZQTRUBKJXLPLMV-QZTJIDSGSA-N 2 1 349.478 3.630 20 30 EHEDMP CC1(C#N)CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591070 1132097090 /nfs/dbraw/zinc/09/70/90/1132097090.db2.gz ITIXUQIMJAWAEV-CAAWEGIDSA-N 2 1 326.488 3.626 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601428 1132101839 /nfs/dbraw/zinc/10/18/39/1132101839.db2.gz SYJNKYSXGUYCJC-PHZLKFDYSA-N 2 1 337.511 3.913 20 30 EHEDMP CC1(C#N)CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601428 1132101845 /nfs/dbraw/zinc/10/18/45/1132101845.db2.gz SYJNKYSXGUYCJC-PHZLKFDYSA-N 2 1 337.511 3.913 20 30 EHEDMP CCCCCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201762856 1136060959 /nfs/dbraw/zinc/06/09/59/1136060959.db2.gz XTQGNWYKPKBMEV-GOSISDBHSA-N 2 1 338.536 3.696 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001171228957 1137353580 /nfs/dbraw/zinc/35/35/80/1137353580.db2.gz JYSSQONMTHIZHE-JRGCBEDISA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001171228957 1137353582 /nfs/dbraw/zinc/35/35/82/1137353582.db2.gz JYSSQONMTHIZHE-JRGCBEDISA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001171228957 1137353584 /nfs/dbraw/zinc/35/35/84/1137353584.db2.gz JYSSQONMTHIZHE-JRGCBEDISA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616067 1137369445 /nfs/dbraw/zinc/36/94/45/1137369445.db2.gz VHFRXOPBIGMCDO-MQNAVGNWSA-N 2 1 345.490 3.526 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616067 1137369446 /nfs/dbraw/zinc/36/94/46/1137369446.db2.gz VHFRXOPBIGMCDO-MQNAVGNWSA-N 2 1 345.490 3.526 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172311843 1137546340 /nfs/dbraw/zinc/54/63/40/1137546340.db2.gz ZHBQCRZXQJKVFC-DZFGPLHGSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172311843 1137546342 /nfs/dbraw/zinc/54/63/42/1137546342.db2.gz ZHBQCRZXQJKVFC-DZFGPLHGSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172311843 1137546343 /nfs/dbraw/zinc/54/63/43/1137546343.db2.gz ZHBQCRZXQJKVFC-DZFGPLHGSA-N 2 1 325.500 3.828 20 30 EHEDMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876903863 1137664956 /nfs/dbraw/zinc/66/49/56/1137664956.db2.gz ZHNRUURUKFSJTD-UHFFFAOYSA-N 2 1 342.874 3.738 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174275258 1139410463 /nfs/dbraw/zinc/41/04/63/1139410463.db2.gz XYCHMWQNZXNRBO-CALCHBBNSA-N 2 1 337.467 3.919 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174275258 1139410466 /nfs/dbraw/zinc/41/04/66/1139410466.db2.gz XYCHMWQNZXNRBO-CALCHBBNSA-N 2 1 337.467 3.919 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181681985 1139924080 /nfs/dbraw/zinc/92/40/80/1139924080.db2.gz UEZPAELBUACGMK-RXVVDRJESA-N 2 1 333.479 3.773 20 30 EHEDMP C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697163 1140164271 /nfs/dbraw/zinc/16/42/71/1140164271.db2.gz RXNQFNIAODAGLW-MJGOQNOKSA-N 2 1 341.499 3.570 20 30 EHEDMP C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266607589 1140707625 /nfs/dbraw/zinc/70/76/25/1140707625.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 2 1 349.478 3.543 20 30 EHEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266607589 1140707633 /nfs/dbraw/zinc/70/76/33/1140707633.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 2 1 349.478 3.543 20 30 EHEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266607589 1140707637 /nfs/dbraw/zinc/70/76/37/1140707637.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 2 1 349.478 3.543 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000728712098 1018360652 /nfs/dbraw/zinc/36/06/52/1018360652.db2.gz ZONILXIRRIOJBC-ZWKOTPCHSA-N 2 1 329.488 3.579 20 30 EHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483892 1032914222 /nfs/dbraw/zinc/91/42/22/1032914222.db2.gz JUCDDDSJBBZXEH-GIVPXCGWSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000602483892 1032914230 /nfs/dbraw/zinc/91/42/30/1032914230.db2.gz JUCDDDSJBBZXEH-GIVPXCGWSA-N 2 1 325.500 3.913 20 30 EHEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000602547043 1032956696 /nfs/dbraw/zinc/95/66/96/1032956696.db2.gz OVTRRUXULSVKSC-UHFFFAOYSA-N 2 1 334.467 3.619 20 30 EHEDMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000593644305 1032994523 /nfs/dbraw/zinc/99/45/23/1032994523.db2.gz AMHONGNIDGKXIK-UHFFFAOYSA-N 2 1 327.516 3.958 20 30 EHEDMP CC[NH+](CC)CCOC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441147908 1022026359 /nfs/dbraw/zinc/02/63/59/1022026359.db2.gz MTALSIHXCMFYME-UHFFFAOYSA-N 2 1 348.918 3.514 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442719540 1025453895 /nfs/dbraw/zinc/45/38/95/1025453895.db2.gz QFUOAGCVYNFCKI-IIMDRIAPSA-N 2 1 325.500 3.946 20 30 EHEDMP C=CCn1c(C)cc(C(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000531255117 1026739210 /nfs/dbraw/zinc/73/92/10/1026739210.db2.gz PHFXEKIMCCAXDG-UHFFFAOYSA-N 2 1 345.531 3.526 20 30 EHEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000531255117 1026739218 /nfs/dbraw/zinc/73/92/18/1026739218.db2.gz PHFXEKIMCCAXDG-UHFFFAOYSA-N 2 1 345.531 3.526 20 30 EHEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000531255117 1026739230 /nfs/dbraw/zinc/73/92/30/1026739230.db2.gz PHFXEKIMCCAXDG-UHFFFAOYSA-N 2 1 345.531 3.526 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000106244974 1027686446 /nfs/dbraw/zinc/68/64/46/1027686446.db2.gz OCGGWRFEXHZRLL-UHFFFAOYSA-N 2 1 328.378 3.715 20 30 EHEDMP N#Cc1ccccc1CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167635641 1028189211 /nfs/dbraw/zinc/18/92/11/1028189211.db2.gz PCOAAJQIJLOEOD-LJQANCHMSA-N 2 1 345.450 3.835 20 30 EHEDMP C[C@H]1CCCC[N@H+]1CCCNCc1cccc(OCCCC#N)c1 ZINC000237506443 1030406874 /nfs/dbraw/zinc/40/68/74/1030406874.db2.gz QEDRIUJKLIIAPR-SFHVURJKSA-N 2 1 329.488 3.723 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237506443 1030406884 /nfs/dbraw/zinc/40/68/84/1030406884.db2.gz QEDRIUJKLIIAPR-SFHVURJKSA-N 2 1 329.488 3.723 20 30 EHEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237506443 1030406895 /nfs/dbraw/zinc/40/68/95/1030406895.db2.gz QEDRIUJKLIIAPR-SFHVURJKSA-N 2 1 329.488 3.723 20 30 EHEDMP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594940469 1033588419 /nfs/dbraw/zinc/58/84/19/1033588419.db2.gz YZEKIEFAXOSIGC-NRFANRHFSA-N 2 1 345.490 3.853 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095921 1033702556 /nfs/dbraw/zinc/70/25/56/1033702556.db2.gz TUZGWDHEKQTFLO-NJYVYQBISA-N 2 1 337.511 3.961 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000120846706 1034183066 /nfs/dbraw/zinc/18/30/66/1034183066.db2.gz QAVPNKBJYPKYND-HXUWFJFHSA-N 2 1 343.515 3.827 20 30 EHEDMP C=CCc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1O ZINC000534347815 1034422108 /nfs/dbraw/zinc/42/21/08/1034422108.db2.gz QEDMPQYTYLHVHH-UHFFFAOYSA-N 2 1 346.515 3.682 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000386485883 1035748794 /nfs/dbraw/zinc/74/87/94/1035748794.db2.gz WUZHQXPCJMXXTJ-JOCHJYFZSA-N 2 1 333.479 3.950 20 30 EHEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)cs1 ZINC000192853785 1036558184 /nfs/dbraw/zinc/55/81/84/1036558184.db2.gz YGWSSHYYEJUPAF-SJORKVTESA-N 2 1 346.544 3.589 20 30 EHEDMP C[C@@H](CC[NH+]1CCC[C@](C)(C#N)C1)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000591026523 1037207437 /nfs/dbraw/zinc/20/74/37/1037207437.db2.gz JKXHYCOPCBDYFF-ACDBMABISA-N 2 1 330.520 3.654 20 30 EHEDMP C[C@H](CC[NH+]1CCC[C@@](C)(C#N)C1)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000591026523 1037207453 /nfs/dbraw/zinc/20/74/53/1037207453.db2.gz JKXHYCOPCBDYFF-ACDBMABISA-N 2 1 330.520 3.654 20 30 EHEDMP C[C@H](CC[NH+]1CCC[C@@](C)(C#N)C1)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000591026523 1037207461 /nfs/dbraw/zinc/20/74/61/1037207461.db2.gz JKXHYCOPCBDYFF-ACDBMABISA-N 2 1 330.520 3.654 20 30 EHEDMP N#Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309667504 1128911769 /nfs/dbraw/zinc/91/17/69/1128911769.db2.gz QLWDGQHIXHJWRS-KRWDZBQOSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309667504 1128911776 /nfs/dbraw/zinc/91/17/76/1128911776.db2.gz QLWDGQHIXHJWRS-KRWDZBQOSA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@@H](NCc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789434 1128914706 /nfs/dbraw/zinc/91/47/06/1128914706.db2.gz OGRJWTNTVDLIEM-WBVHZDCISA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789434 1128914714 /nfs/dbraw/zinc/91/47/14/1128914714.db2.gz OGRJWTNTVDLIEM-WBVHZDCISA-N 2 1 325.481 3.620 20 30 EHEDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231032 1121102430 /nfs/dbraw/zinc/10/24/30/1121102430.db2.gz UQBUMHWOEFXPTH-XLIONFOSSA-N 2 1 349.478 3.567 20 30 EHEDMP C[N@@H+](CCOc1ccccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000114200320 1129123835 /nfs/dbraw/zinc/12/38/35/1129123835.db2.gz CMPWXHGTBGKIPP-UHFFFAOYSA-N 2 1 349.478 3.533 20 30 EHEDMP CN(CCOc1ccccc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200320 1129123838 /nfs/dbraw/zinc/12/38/38/1129123838.db2.gz CMPWXHGTBGKIPP-UHFFFAOYSA-N 2 1 349.478 3.533 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825971 1129533690 /nfs/dbraw/zinc/53/36/90/1129533690.db2.gz KZKRISDZCJAVPQ-KKSFZXQISA-N 2 1 337.442 3.698 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336906 1132053434 /nfs/dbraw/zinc/05/34/34/1132053434.db2.gz QUMHNKCRFFYLFE-MOBXORJESA-N 2 1 337.511 3.913 20 30 EHEDMP N#CCC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336906 1132053438 /nfs/dbraw/zinc/05/34/38/1132053438.db2.gz QUMHNKCRFFYLFE-MOBXORJESA-N 2 1 337.511 3.913 20 30 EHEDMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)[C@@H]2C ZINC001173595287 1132099118 /nfs/dbraw/zinc/09/91/18/1132099118.db2.gz WHWSESXSCHALCZ-ZRZPHAQCSA-N 2 1 343.519 3.572 20 30 EHEDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)CC1 ZINC001175349960 1132645512 /nfs/dbraw/zinc/64/55/12/1132645512.db2.gz GUNZFWAZGSZSOU-FQEVSTJZSA-N 2 1 347.547 3.673 20 30 EHEDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000859212138 1137007926 /nfs/dbraw/zinc/00/79/26/1137007926.db2.gz GMLPODNUSMERDC-UHFFFAOYSA-N 2 1 327.859 3.905 20 30 EHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000859212138 1137007927 /nfs/dbraw/zinc/00/79/27/1137007927.db2.gz GMLPODNUSMERDC-UHFFFAOYSA-N 2 1 327.859 3.905 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001171222120 1137348166 /nfs/dbraw/zinc/34/81/66/1137348166.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001171222120 1137348167 /nfs/dbraw/zinc/34/81/67/1137348167.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001171222120 1137348168 /nfs/dbraw/zinc/34/81/68/1137348168.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222347 1137348815 /nfs/dbraw/zinc/34/88/15/1137348815.db2.gz GBIMPJKYVJLKKQ-CVDCTZTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171222347 1137348816 /nfs/dbraw/zinc/34/88/16/1137348816.db2.gz GBIMPJKYVJLKKQ-CVDCTZTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171222347 1137348818 /nfs/dbraw/zinc/34/88/18/1137348818.db2.gz GBIMPJKYVJLKKQ-CVDCTZTESA-N 2 1 347.506 3.943 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1 ZINC001171398361 1137471169 /nfs/dbraw/zinc/47/11/69/1137471169.db2.gz TZTYCVBCWWSOAU-VQTJNVASSA-N 2 1 349.478 3.867 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172070453 1137530126 /nfs/dbraw/zinc/53/01/26/1137530126.db2.gz OSZZPKIKWAZDPL-KOUNCHBCSA-N 2 1 346.478 3.629 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172070453 1137530128 /nfs/dbraw/zinc/53/01/28/1137530128.db2.gz OSZZPKIKWAZDPL-KOUNCHBCSA-N 2 1 346.478 3.629 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311976 1137744010 /nfs/dbraw/zinc/74/40/10/1137744010.db2.gz ZOPIHRCNCDTRLK-FGYAAKKASA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@H]1C#N ZINC000879311976 1137744011 /nfs/dbraw/zinc/74/40/11/1137744011.db2.gz ZOPIHRCNCDTRLK-FGYAAKKASA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@H]1C#N ZINC000879311976 1137744012 /nfs/dbraw/zinc/74/40/12/1137744012.db2.gz ZOPIHRCNCDTRLK-FGYAAKKASA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000118401362 1137933585 /nfs/dbraw/zinc/93/35/85/1137933585.db2.gz HFFBNZMIMJCRND-UHFFFAOYSA-N 2 1 346.478 3.774 20 30 EHEDMP C[NH+](CC1(CC#N)CC1)[C@H]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)CC1 ZINC000886389701 1138073179 /nfs/dbraw/zinc/07/31/79/1138073179.db2.gz UODKTIRDKONGGV-IYARVYRRSA-N 2 1 328.504 3.549 20 30 EHEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177583049 1017697644 /nfs/dbraw/zinc/69/76/44/1017697644.db2.gz YCDJCVQFUIBFJW-UHFFFAOYSA-N 2 1 326.484 3.585 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000581575661 1021103345 /nfs/dbraw/zinc/10/33/45/1021103345.db2.gz ZYNMIRRNYRZPDE-SJLPKXTDSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000581575661 1021103351 /nfs/dbraw/zinc/10/33/51/1021103351.db2.gz ZYNMIRRNYRZPDE-SJLPKXTDSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000581575661 1021103353 /nfs/dbraw/zinc/10/33/53/1021103353.db2.gz ZYNMIRRNYRZPDE-SJLPKXTDSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000581575661 1021103356 /nfs/dbraw/zinc/10/33/56/1021103356.db2.gz ZYNMIRRNYRZPDE-SJLPKXTDSA-N 2 1 334.891 3.821 20 30 EHEDMP CC[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000507639555 1021405606 /nfs/dbraw/zinc/40/56/06/1021405606.db2.gz XGRZPWDZNISZHQ-KBWCOIMZSA-N 2 1 325.500 3.855 20 30 EHEDMP C[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434532 1021435150 /nfs/dbraw/zinc/43/51/50/1021435150.db2.gz BVRBVRPPMFZGRJ-RHSMWYFYSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434532 1021435157 /nfs/dbraw/zinc/43/51/57/1021435157.db2.gz BVRBVRPPMFZGRJ-RHSMWYFYSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434532 1021435164 /nfs/dbraw/zinc/43/51/64/1021435164.db2.gz BVRBVRPPMFZGRJ-RHSMWYFYSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602577560 1032995589 /nfs/dbraw/zinc/99/55/89/1032995589.db2.gz VRPSJBSZXPRNFM-QXWDQEIOSA-N 2 1 325.500 3.959 20 30 EHEDMP CCC(CC)CN(CCC#N)Cc1cn(-c2ccncc2)nc1C ZINC000346159390 1024471743 /nfs/dbraw/zinc/47/17/43/1024471743.db2.gz VFMDXHBATLFHPZ-UHFFFAOYSA-N 2 1 325.460 3.728 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442707080 1025433830 /nfs/dbraw/zinc/43/38/30/1025433830.db2.gz FSAYHGNMGRORMG-KJNZLNQQSA-N 2 1 325.500 3.946 20 30 EHEDMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)ccc1C#N ZINC000281781362 1025471235 /nfs/dbraw/zinc/47/12/35/1025471235.db2.gz TUOXGQIBIRCHLU-UHFFFAOYSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442901085 1025586280 /nfs/dbraw/zinc/58/62/80/1025586280.db2.gz NNKBTFDRDJBZTH-KRWDZBQOSA-N 2 1 334.467 3.863 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000152952958 1026803588 /nfs/dbraw/zinc/80/35/88/1026803588.db2.gz LCWKLQPOCWILGI-INIZCTEOSA-N 2 1 332.488 3.703 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(F)c1 ZINC000421358460 1028309597 /nfs/dbraw/zinc/30/95/97/1028309597.db2.gz TVTONGVLMUFZJR-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886397 1030764440 /nfs/dbraw/zinc/76/44/40/1030764440.db2.gz OTQPCHJHTHUOGG-PZJWPPBQSA-N 2 1 342.527 3.860 20 30 EHEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC#Cc1ccccc1 ZINC000483730058 1031305444 /nfs/dbraw/zinc/30/54/44/1031305444.db2.gz PJHKRMTUOMUORC-WOJBJXKFSA-N 2 1 332.491 3.784 20 30 EHEDMP C=CC[N@H+](Cc1cc(Br)ccc1F)CC1CC[NH2+]CC1 ZINC000178970424 1031726018 /nfs/dbraw/zinc/72/60/18/1031726018.db2.gz RVGRCPLDBBWRCW-UHFFFAOYSA-N 2 1 341.268 3.576 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131836 1032045104 /nfs/dbraw/zinc/04/51/04/1032045104.db2.gz KUPMIQJIWXWPGZ-QUCCMNQESA-N 2 1 349.478 3.762 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000594944282 1033591065 /nfs/dbraw/zinc/59/10/65/1033591065.db2.gz SNAJBLJFYYKWFS-HKUYNNGSSA-N 2 1 337.511 3.984 20 30 EHEDMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000599069180 1033710072 /nfs/dbraw/zinc/71/00/72/1033710072.db2.gz CTCCCPGVGWZRKA-KMFTYDHNSA-N 2 1 325.500 3.712 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000613256194 1035478336 /nfs/dbraw/zinc/47/83/36/1035478336.db2.gz QREOVRHFPRPMMG-LXHROKJGSA-N 2 1 337.511 3.959 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043141 1036605764 /nfs/dbraw/zinc/60/57/64/1036605764.db2.gz SGUVXHPWVIAZBT-GCJKJVERSA-N 2 1 333.479 3.895 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043141 1036605771 /nfs/dbraw/zinc/60/57/71/1036605771.db2.gz SGUVXHPWVIAZBT-GCJKJVERSA-N 2 1 333.479 3.895 20 30 EHEDMP CC(C)(C#N)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568780 1036930298 /nfs/dbraw/zinc/93/02/98/1036930298.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568780 1036930311 /nfs/dbraw/zinc/93/03/11/1036930311.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000539568780 1036930327 /nfs/dbraw/zinc/93/03/27/1036930327.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000539568780 1036930344 /nfs/dbraw/zinc/93/03/44/1036930344.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237538314 1123080563 /nfs/dbraw/zinc/08/05/63/1123080563.db2.gz ZONILXIRRIOJBC-MSOLQXFVSA-N 2 1 329.488 3.579 20 30 EHEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000618805792 1125207685 /nfs/dbraw/zinc/20/76/85/1125207685.db2.gz PEYOJINZLHGXKU-QHCPKHFHSA-N 2 1 345.490 3.842 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246061826 1130339590 /nfs/dbraw/zinc/33/95/90/1130339590.db2.gz WDVZHENLVFYGES-OEWRPIJISA-N 2 1 333.479 3.804 20 30 EHEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733326243 1131025914 /nfs/dbraw/zinc/02/59/14/1131025914.db2.gz QYGWQTPGVKIDIG-QFIPXVFZSA-N 2 1 348.490 3.700 20 30 EHEDMP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507043 1131763340 /nfs/dbraw/zinc/76/33/40/1131763340.db2.gz OCPMPZHPFNVUNK-JYRKZWEQSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507043 1131763345 /nfs/dbraw/zinc/76/33/45/1131763345.db2.gz OCPMPZHPFNVUNK-JYRKZWEQSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507043 1131763352 /nfs/dbraw/zinc/76/33/52/1131763352.db2.gz OCPMPZHPFNVUNK-JYRKZWEQSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507043 1131763356 /nfs/dbraw/zinc/76/33/56/1131763356.db2.gz OCPMPZHPFNVUNK-JYRKZWEQSA-N 2 1 340.515 3.696 20 30 EHEDMP CCSC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294223 1132030457 /nfs/dbraw/zinc/03/04/57/1132030457.db2.gz FQFVPUGMPDALMJ-ATZDWAIDSA-N 2 1 331.529 3.772 20 30 EHEDMP CC[C@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197744 1134713366 /nfs/dbraw/zinc/71/33/66/1134713366.db2.gz YCOGPJJRKGELFO-TUFLPTIASA-N 2 1 341.499 3.588 20 30 EHEDMP N#Cc1ccc(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253751 /nfs/dbraw/zinc/25/37/51/1135253751.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 2 1 345.490 3.699 20 30 EHEDMP N#Cc1ccc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253756 /nfs/dbraw/zinc/25/37/56/1135253756.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 2 1 345.490 3.699 20 30 EHEDMP N#Cc1ccc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253761 /nfs/dbraw/zinc/25/37/61/1135253761.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 2 1 345.490 3.699 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738601 1135882677 /nfs/dbraw/zinc/88/26/77/1135882677.db2.gz AZHNNKHRUKIUEI-KRWDZBQOSA-N 2 1 337.467 3.671 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201123 1137317353 /nfs/dbraw/zinc/31/73/53/1137317353.db2.gz IFGVCTSYMKCBME-ZPMCFJSWSA-N 2 1 348.494 3.656 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866618385 1137370190 /nfs/dbraw/zinc/37/01/90/1137370190.db2.gz ZQWRGMOIMXEXBZ-QVKFZJNVSA-N 2 1 342.446 3.870 20 30 EHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000772986084 1137418528 /nfs/dbraw/zinc/41/85/28/1137418528.db2.gz ZRLUIPJENUYNIV-GOSISDBHSA-N 2 1 329.488 3.720 20 30 EHEDMP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1Cc2ccccc2O1 ZINC000883227413 1137849401 /nfs/dbraw/zinc/84/94/01/1137849401.db2.gz QCQSLNDTPLSUJF-SMVGOTRKSA-N 2 1 326.484 3.540 20 30 EHEDMP N#CC1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886605315 1138100951 /nfs/dbraw/zinc/10/09/51/1138100951.db2.gz NSJZSSDDCPUSHV-ARKNQYIKSA-N 2 1 337.511 3.959 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102245 1138729048 /nfs/dbraw/zinc/72/90/48/1138729048.db2.gz XWQHPRJKCUSASR-UYAOXDASSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102245 1138729050 /nfs/dbraw/zinc/72/90/50/1138729050.db2.gz XWQHPRJKCUSASR-UYAOXDASSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102245 1138729054 /nfs/dbraw/zinc/72/90/54/1138729054.db2.gz XWQHPRJKCUSASR-UYAOXDASSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102245 1138729057 /nfs/dbraw/zinc/72/90/57/1138729057.db2.gz XWQHPRJKCUSASR-UYAOXDASSA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181436651 1139906829 /nfs/dbraw/zinc/90/68/29/1139906829.db2.gz AWKXPZPOBWWOKG-GOSISDBHSA-N 2 1 349.478 3.688 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181436651 1139906831 /nfs/dbraw/zinc/90/68/31/1139906831.db2.gz AWKXPZPOBWWOKG-GOSISDBHSA-N 2 1 349.478 3.688 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180490285 1015959763 /nfs/dbraw/zinc/95/97/63/1015959763.db2.gz FSIBTLASGMVZFJ-GOSISDBHSA-N 2 1 337.511 3.964 20 30 EHEDMP C=C(CC)C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000536887180 1032394743 /nfs/dbraw/zinc/39/47/43/1032394743.db2.gz VLWCIUUEPYAGFD-UHFFFAOYSA-N 2 1 331.504 3.569 20 30 EHEDMP C=C(CC)C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000536887180 1032394752 /nfs/dbraw/zinc/39/47/52/1032394752.db2.gz VLWCIUUEPYAGFD-UHFFFAOYSA-N 2 1 331.504 3.569 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000247324638 1020526258 /nfs/dbraw/zinc/52/62/58/1020526258.db2.gz LTTCMBKOEGFOKA-DYVFJYSZSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000247324638 1020526261 /nfs/dbraw/zinc/52/62/61/1020526261.db2.gz LTTCMBKOEGFOKA-DYVFJYSZSA-N 2 1 331.510 3.854 20 30 EHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602516146 1032928412 /nfs/dbraw/zinc/92/84/12/1032928412.db2.gz IOBVAUMBZVEYQE-QZTJIDSGSA-N 2 1 348.494 3.721 20 30 EHEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000520293968 1022112448 /nfs/dbraw/zinc/11/24/48/1022112448.db2.gz MHWIQXCMLMWXIJ-HSZRJFAPSA-N 2 1 345.490 3.842 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)CC1 ZINC000550142632 1022579268 /nfs/dbraw/zinc/57/92/68/1022579268.db2.gz ABGVOYOWJPLWCT-MJGOQNOKSA-N 2 1 336.520 3.519 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475171 1023236756 /nfs/dbraw/zinc/23/67/56/1023236756.db2.gz SUOROFXKAQNTBF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475171 1023236765 /nfs/dbraw/zinc/23/67/65/1023236765.db2.gz SUOROFXKAQNTBF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475171 1023236776 /nfs/dbraw/zinc/23/67/76/1023236776.db2.gz SUOROFXKAQNTBF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475171 1023236780 /nfs/dbraw/zinc/23/67/80/1023236780.db2.gz SUOROFXKAQNTBF-UYAOXDASSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895378082 1024427386 /nfs/dbraw/zinc/42/73/86/1024427386.db2.gz PNHPKKJIBGIDTH-MBOZVWFJSA-N 2 1 329.488 3.530 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000152984025 1026803122 /nfs/dbraw/zinc/80/31/22/1026803122.db2.gz NAMIRJSKWWLVMC-GOSISDBHSA-N 2 1 332.488 3.785 20 30 EHEDMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624813 1028203533 /nfs/dbraw/zinc/20/35/33/1028203533.db2.gz DWTBNHBKYHGHQW-UWJYYQICSA-N 2 1 349.478 3.710 20 30 EHEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624813 1028203551 /nfs/dbraw/zinc/20/35/51/1028203551.db2.gz DWTBNHBKYHGHQW-UWJYYQICSA-N 2 1 349.478 3.710 20 30 EHEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421332332 1028277697 /nfs/dbraw/zinc/27/76/97/1028277697.db2.gz LTEVJXKHJCRENO-UHFFFAOYSA-N 2 1 337.442 3.760 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183690155 1029107005 /nfs/dbraw/zinc/10/70/05/1029107005.db2.gz MWDFUZPYWGLVRE-OAHLLOKOSA-N 2 1 346.434 3.912 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236326 /nfs/dbraw/zinc/23/63/26/1030236326.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236336 /nfs/dbraw/zinc/23/63/36/1030236336.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000246764596 1030696041 /nfs/dbraw/zinc/69/60/41/1030696041.db2.gz PREDEQYLBRPGRM-RBUKOAKNSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000246764596 1030696050 /nfs/dbraw/zinc/69/60/50/1030696050.db2.gz PREDEQYLBRPGRM-RBUKOAKNSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000246764596 1030696054 /nfs/dbraw/zinc/69/60/54/1030696054.db2.gz PREDEQYLBRPGRM-RBUKOAKNSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000246764596 1030696063 /nfs/dbraw/zinc/69/60/63/1030696063.db2.gz PREDEQYLBRPGRM-RBUKOAKNSA-N 2 1 344.499 3.566 20 30 EHEDMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)C1 ZINC000594952154 1033596398 /nfs/dbraw/zinc/59/63/98/1033596398.db2.gz WZYBFKAGRGNOTC-IRLDBZIGSA-N 2 1 345.490 3.677 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596059659 1034055979 /nfs/dbraw/zinc/05/59/79/1034055979.db2.gz UFOQUVAXQRGHFG-LJQANCHMSA-N 2 1 325.500 3.699 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000589336426 1036348636 /nfs/dbraw/zinc/34/86/36/1036348636.db2.gz DNKNISPHNHCNCM-LLGFUMIMSA-N 2 1 325.500 3.893 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192929787 1036567326 /nfs/dbraw/zinc/56/73/26/1036567326.db2.gz FQWQWNMCYKTBPE-GHTZIAJQSA-N 2 1 349.478 3.589 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006830 1036606444 /nfs/dbraw/zinc/60/64/44/1036606444.db2.gz YYHYOZLYZZDPCJ-PGRDOPGGSA-N 2 1 333.479 3.753 20 30 EHEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001167833505 1043006279 /nfs/dbraw/zinc/00/62/79/1043006279.db2.gz CDMGLAHWYRLRHR-RXVVDRJESA-N 2 1 343.515 3.912 20 30 EHEDMP Cc1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290938 1044556112 /nfs/dbraw/zinc/55/61/12/1044556112.db2.gz BLVPWJCTSNCNRF-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290938 1044556133 /nfs/dbraw/zinc/55/61/33/1044556133.db2.gz BLVPWJCTSNCNRF-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290938 1044556137 /nfs/dbraw/zinc/55/61/37/1044556137.db2.gz BLVPWJCTSNCNRF-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290938 1044556146 /nfs/dbraw/zinc/55/61/46/1044556146.db2.gz BLVPWJCTSNCNRF-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404091548 1128676972 /nfs/dbraw/zinc/67/69/72/1128676972.db2.gz WTHJLBROQOYWLC-UZLBHIALSA-N 2 1 337.442 3.840 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091548 1128676974 /nfs/dbraw/zinc/67/69/74/1128676974.db2.gz WTHJLBROQOYWLC-UZLBHIALSA-N 2 1 337.442 3.840 20 30 EHEDMP CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000247248354 1124599588 /nfs/dbraw/zinc/59/95/88/1124599588.db2.gz UICNZNPTLOFKKG-MAUKXSAKSA-N 2 1 338.417 3.719 20 30 EHEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000618807264 1125207528 /nfs/dbraw/zinc/20/75/28/1125207528.db2.gz WUZCIGWQAZAYBF-JOCHJYFZSA-N 2 1 331.463 3.800 20 30 EHEDMP C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282419605 1129769721 /nfs/dbraw/zinc/76/97/21/1129769721.db2.gz SNYWGCDOGRVJFI-HZGZPEGRSA-N 2 1 325.500 3.817 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107935 1130323323 /nfs/dbraw/zinc/32/33/23/1130323323.db2.gz JIIHEMSKMQZZJU-WMLDXEAASA-N 2 1 325.481 3.859 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324707 1131025307 /nfs/dbraw/zinc/02/53/07/1131025307.db2.gz VIKKANVCFZHYTM-BGYRXZFFSA-N 2 1 342.527 3.936 20 30 EHEDMP CC1(C#N)CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173595769 1132099433 /nfs/dbraw/zinc/09/94/33/1132099433.db2.gz WIVRSXMWQZZFCM-XNYRCJLNSA-N 2 1 329.513 3.584 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647193 1132198808 /nfs/dbraw/zinc/19/88/08/1132198808.db2.gz KDWRNKSSTBMHNR-KNQAVFIVSA-N 2 1 348.490 3.841 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647193 1132198810 /nfs/dbraw/zinc/19/88/10/1132198810.db2.gz KDWRNKSSTBMHNR-KNQAVFIVSA-N 2 1 348.490 3.841 20 30 EHEDMP C(#Cc1ccccc1)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170427135 1134869689 /nfs/dbraw/zinc/86/96/89/1134869689.db2.gz FWMRCKKVVATRLE-FQEVSTJZSA-N 2 1 344.462 3.815 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000815652073 1136626633 /nfs/dbraw/zinc/62/66/33/1136626633.db2.gz NUKMFWGPQGDXIO-CYBMUJFWSA-N 2 1 342.455 3.616 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000815652073 1136626636 /nfs/dbraw/zinc/62/66/36/1136626636.db2.gz NUKMFWGPQGDXIO-CYBMUJFWSA-N 2 1 342.455 3.616 20 30 EHEDMP C#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001144571796 1137311564 /nfs/dbraw/zinc/31/15/64/1137311564.db2.gz ISMIGTPNFKJWOC-UHFFFAOYSA-N 2 1 345.490 3.551 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001171201712 1137318049 /nfs/dbraw/zinc/31/80/49/1137318049.db2.gz QDELBDANCGKZNI-YYDVJCTNSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001171201712 1137318050 /nfs/dbraw/zinc/31/80/50/1137318050.db2.gz QDELBDANCGKZNI-YYDVJCTNSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001171213205 1137334928 /nfs/dbraw/zinc/33/49/28/1137334928.db2.gz WYPFZXIYZGJJBY-SFHVURJKSA-N 2 1 337.511 3.830 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001171213205 1137334929 /nfs/dbraw/zinc/33/49/29/1137334929.db2.gz WYPFZXIYZGJJBY-SFHVURJKSA-N 2 1 337.511 3.830 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000772958280 1137380400 /nfs/dbraw/zinc/38/04/00/1137380400.db2.gz WLKDIRZWUVIYGR-HXUWFJFHSA-N 2 1 328.500 3.546 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304501 1137545305 /nfs/dbraw/zinc/54/53/05/1137545305.db2.gz MKSCRZIRNDNCLD-XJABCFGWSA-N 2 1 348.494 3.656 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172312799 1137546405 /nfs/dbraw/zinc/54/64/05/1137546405.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172312799 1137546407 /nfs/dbraw/zinc/54/64/07/1137546407.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172312799 1137546408 /nfs/dbraw/zinc/54/64/08/1137546408.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 2 1 345.490 3.553 20 30 EHEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000871782810 1137558105 /nfs/dbraw/zinc/55/81/05/1137558105.db2.gz ZCESQFQFNFFMAT-MRXNPFEDSA-N 2 1 346.862 3.865 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102241 1138728611 /nfs/dbraw/zinc/72/86/11/1138728611.db2.gz XWQHPRJKCUSASR-QUCCMNQESA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102241 1138728614 /nfs/dbraw/zinc/72/86/14/1138728614.db2.gz XWQHPRJKCUSASR-QUCCMNQESA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102241 1138728617 /nfs/dbraw/zinc/72/86/17/1138728617.db2.gz XWQHPRJKCUSASR-QUCCMNQESA-N 2 1 341.499 3.675 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265102241 1138728618 /nfs/dbraw/zinc/72/86/18/1138728618.db2.gz XWQHPRJKCUSASR-QUCCMNQESA-N 2 1 341.499 3.675 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2CC)CC1 ZINC000152989167 1139117363 /nfs/dbraw/zinc/11/73/63/1139117363.db2.gz ZWGHECLUYNJXBY-KRWDZBQOSA-N 2 1 343.515 3.596 20 30 EHEDMP C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266607591 1140708011 /nfs/dbraw/zinc/70/80/11/1140708011.db2.gz ZAOFPPJGKPGINF-OAQYLSRUSA-N 2 1 349.478 3.543 20 30 EHEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266607591 1140708015 /nfs/dbraw/zinc/70/80/15/1140708015.db2.gz ZAOFPPJGKPGINF-OAQYLSRUSA-N 2 1 349.478 3.543 20 30 EHEDMP C[NH+](Cc1ccc(OCC#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266607591 1140708019 /nfs/dbraw/zinc/70/80/19/1140708019.db2.gz ZAOFPPJGKPGINF-OAQYLSRUSA-N 2 1 349.478 3.543 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000348960932 1141615258 /nfs/dbraw/zinc/61/52/58/1141615258.db2.gz CRZSVFFDKKJRQT-UHFFFAOYSA-N 2 1 337.467 3.651 20 30 EHEDMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516779 1016801166 /nfs/dbraw/zinc/80/11/66/1016801166.db2.gz OQIDHRRQWVLCBD-QFIPXVFZSA-N 2 1 349.478 3.569 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602572184 1032981898 /nfs/dbraw/zinc/98/18/98/1032981898.db2.gz YRDGZQGOSYUJHO-XHEHWMSISA-N 2 1 325.500 3.815 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895378084 1024426455 /nfs/dbraw/zinc/42/64/55/1024426455.db2.gz PNHPKKJIBGIDTH-SQGPQFPESA-N 2 1 329.488 3.530 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168026940 1024467730 /nfs/dbraw/zinc/46/77/30/1024467730.db2.gz MKQQXYVXOMODIW-KNKQGSTJSA-N 2 1 341.543 3.668 20 30 EHEDMP N#Cc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685171 1025068271 /nfs/dbraw/zinc/06/82/71/1025068271.db2.gz XIBILVXOQQFCHY-LJQANCHMSA-N 2 1 337.492 3.764 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442707078 1025434452 /nfs/dbraw/zinc/43/44/52/1025434452.db2.gz FSAYHGNMGRORMG-HRQSHJORSA-N 2 1 325.500 3.946 20 30 EHEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475222844 1026399603 /nfs/dbraw/zinc/39/96/03/1026399603.db2.gz DGNLRDZZZLROOS-NRFANRHFSA-N 2 1 336.479 3.863 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106245734 1027688007 /nfs/dbraw/zinc/68/80/07/1027688007.db2.gz LZBUMIMDNXFTLN-UHFFFAOYSA-N 2 1 328.378 3.715 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000162044373 1029462085 /nfs/dbraw/zinc/46/20/85/1029462085.db2.gz QQGKTMMPMJSZSE-UHFFFAOYSA-N 2 1 330.369 3.975 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055780 1033634814 /nfs/dbraw/zinc/63/48/14/1033634814.db2.gz JLJBAWPSSRVWAF-AVRDEDQJSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055780 1033634818 /nfs/dbraw/zinc/63/48/18/1033634818.db2.gz JLJBAWPSSRVWAF-AVRDEDQJSA-N 2 1 333.479 3.601 20 30 EHEDMP N#CC1(c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031155 1034505396 /nfs/dbraw/zinc/50/53/96/1034505396.db2.gz VQHPRYUGBGNDQY-WIYYLYMNSA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031155 1034505411 /nfs/dbraw/zinc/50/54/11/1034505411.db2.gz VQHPRYUGBGNDQY-WIYYLYMNSA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031155 1034505421 /nfs/dbraw/zinc/50/54/21/1034505421.db2.gz VQHPRYUGBGNDQY-WIYYLYMNSA-N 2 1 335.495 3.690 20 30 EHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000591839143 1037648113 /nfs/dbraw/zinc/64/81/13/1037648113.db2.gz YHLVCKBTBGRTFA-KRWDZBQOSA-N 2 1 337.467 3.692 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463249701 1037951581 /nfs/dbraw/zinc/95/15/81/1037951581.db2.gz XBXFDPSTCZMZCO-XMSQKQJNSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000463249701 1037951590 /nfs/dbraw/zinc/95/15/90/1037951590.db2.gz XBXFDPSTCZMZCO-XMSQKQJNSA-N 2 1 333.479 3.743 20 30 EHEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000764964303 1127560058 /nfs/dbraw/zinc/56/00/58/1127560058.db2.gz SCQWKTKOSGCLFU-OALUTQOASA-N 2 1 328.500 3.861 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000921990628 1129007519 /nfs/dbraw/zinc/00/75/19/1129007519.db2.gz IKJAJYLOXOHCCW-YZGWKJHDSA-N 2 1 337.492 3.620 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000921990628 1129007524 /nfs/dbraw/zinc/00/75/24/1129007524.db2.gz IKJAJYLOXOHCCW-YZGWKJHDSA-N 2 1 337.492 3.620 20 30 EHEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000618191993 1125017813 /nfs/dbraw/zinc/01/78/13/1125017813.db2.gz CIMPZGCUFOFDIZ-OAQYLSRUSA-N 2 1 333.479 3.869 20 30 EHEDMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931542 1131910556 /nfs/dbraw/zinc/91/05/56/1131910556.db2.gz UZLMMZUQVPPLPE-XSDIEEQYSA-N 2 1 341.499 3.588 20 30 EHEDMP CCSC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294224 1132029800 /nfs/dbraw/zinc/02/98/00/1132029800.db2.gz FQFVPUGMPDALMJ-SNRMKQJTSA-N 2 1 331.529 3.772 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601426 1132101803 /nfs/dbraw/zinc/10/18/03/1132101803.db2.gz SYJNKYSXGUYCJC-GEOZSUPMSA-N 2 1 337.511 3.913 20 30 EHEDMP CC1(C#N)CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601426 1132101809 /nfs/dbraw/zinc/10/18/09/1132101809.db2.gz SYJNKYSXGUYCJC-GEOZSUPMSA-N 2 1 337.511 3.913 20 30 EHEDMP C=CCn1ccc2c1nc[nH+]c2N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169140340 1132666687 /nfs/dbraw/zinc/66/66/87/1132666687.db2.gz FRCSSUDUPSSDHK-LIRRHRJNSA-N 2 1 327.476 3.573 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000774128648 1133619259 /nfs/dbraw/zinc/61/92/59/1133619259.db2.gz CIDFHKRHVSGFMN-DKUWSORSSA-N 2 1 331.463 3.843 20 30 EHEDMP C#CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000789769729 1134330378 /nfs/dbraw/zinc/33/03/78/1134330378.db2.gz QBQTZDSHTKWZCQ-UHFFFAOYSA-N 2 1 349.478 3.611 20 30 EHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001199239060 1135889386 /nfs/dbraw/zinc/88/93/86/1135889386.db2.gz YQLQXHUGACTCAW-UHFFFAOYSA-N 2 1 333.479 3.713 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000105448984 1135948097 /nfs/dbraw/zinc/94/80/97/1135948097.db2.gz DQMKUDYIPNBLKP-KRWDZBQOSA-N 2 1 337.467 3.719 20 30 EHEDMP CCCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201776340 1136065527 /nfs/dbraw/zinc/06/55/27/1136065527.db2.gz CAVZRUMLJSOWMV-NHCUHLMSSA-N 2 1 345.531 3.575 20 30 EHEDMP CCCCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201776340 1136065530 /nfs/dbraw/zinc/06/55/30/1136065530.db2.gz CAVZRUMLJSOWMV-NHCUHLMSSA-N 2 1 345.531 3.575 20 30 EHEDMP CCCCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001201776340 1136065534 /nfs/dbraw/zinc/06/55/34/1136065534.db2.gz CAVZRUMLJSOWMV-NHCUHLMSSA-N 2 1 345.531 3.575 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652758 1136626623 /nfs/dbraw/zinc/62/66/23/1136626623.db2.gz RKGMMCIFWBPQCK-MRXNPFEDSA-N 2 1 344.446 3.654 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652758 1136626626 /nfs/dbraw/zinc/62/66/26/1136626626.db2.gz RKGMMCIFWBPQCK-MRXNPFEDSA-N 2 1 344.446 3.654 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171179318 1137290827 /nfs/dbraw/zinc/29/08/27/1137290827.db2.gz RINGHIFXGGNKOR-PGRDOPGGSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616069 1137369513 /nfs/dbraw/zinc/36/95/13/1137369513.db2.gz VHFRXOPBIGMCDO-VSDWSMLSSA-N 2 1 345.490 3.526 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616069 1137369515 /nfs/dbraw/zinc/36/95/15/1137369515.db2.gz VHFRXOPBIGMCDO-VSDWSMLSSA-N 2 1 345.490 3.526 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866618386 1137370086 /nfs/dbraw/zinc/37/00/86/1137370086.db2.gz ZQWRGMOIMXEXBZ-VFNWGFHPSA-N 2 1 342.446 3.870 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cccc(C#N)c3)cc2)CC1 ZINC000151366541 1139027625 /nfs/dbraw/zinc/02/76/25/1139027625.db2.gz UOIDEPATQLWODO-UHFFFAOYSA-N 2 1 348.494 3.948 20 30 EHEDMP C[C@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000174172080 1139403901 /nfs/dbraw/zinc/40/39/01/1139403901.db2.gz AUOCKHMNZLBUJW-HKUYNNGSSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@H+]1Cc1ccccc1 ZINC000174172080 1139403903 /nfs/dbraw/zinc/40/39/03/1139403903.db2.gz AUOCKHMNZLBUJW-HKUYNNGSSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]1C[C@@H]([N@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172080 1139403904 /nfs/dbraw/zinc/40/39/04/1139403904.db2.gz AUOCKHMNZLBUJW-HKUYNNGSSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172080 1139403907 /nfs/dbraw/zinc/40/39/07/1139403907.db2.gz AUOCKHMNZLBUJW-HKUYNNGSSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196766 1140019441 /nfs/dbraw/zinc/01/94/41/1140019441.db2.gz ZFGYWMIQPMAYDA-ZHALLVOQSA-N 2 1 341.499 3.893 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C1 ZINC000602513307 1032947263 /nfs/dbraw/zinc/94/72/63/1032947263.db2.gz FTEXWUXWDZOZRQ-HDICACEKSA-N 2 1 348.494 3.721 20 30 EHEDMP Cc1cc(C)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c(C)n1 ZINC000331350979 1022801026 /nfs/dbraw/zinc/80/10/26/1022801026.db2.gz YRLMMPIAWLWEDW-KRWDZBQOSA-N 2 1 332.492 3.843 20 30 EHEDMP C=C(C)COc1cc(CNC2CC[NH+](CC(=C)C)CC2)ccc1OC ZINC000106245380 1024563681 /nfs/dbraw/zinc/56/36/81/1024563681.db2.gz MGOLDEFKWLZGMK-UHFFFAOYSA-N 2 1 344.499 3.780 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)ccc1OC ZINC000106245380 1024563692 /nfs/dbraw/zinc/56/36/92/1024563692.db2.gz MGOLDEFKWLZGMK-UHFFFAOYSA-N 2 1 344.499 3.780 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442719542 1025453273 /nfs/dbraw/zinc/45/32/73/1025453273.db2.gz QFUOAGCVYNFCKI-TWFHAPMSSA-N 2 1 325.500 3.946 20 30 EHEDMP C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1ccnc1 ZINC000245605168 1030160991 /nfs/dbraw/zinc/16/09/91/1030160991.db2.gz NBWVSMAZZMABMX-CRAIPNDOSA-N 2 1 347.384 3.837 20 30 EHEDMP N#CCCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000594506053 1033406089 /nfs/dbraw/zinc/40/60/89/1033406089.db2.gz KMXWRUANGDEXLO-SFTDATJTSA-N 2 1 341.499 3.655 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000414159205 1035812589 /nfs/dbraw/zinc/81/25/89/1035812589.db2.gz AZWMYTYGXZKUCW-AQNXPRMDSA-N 2 1 325.500 3.959 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000090106961 1036049286 /nfs/dbraw/zinc/04/92/86/1036049286.db2.gz XUQQRCFHGPEFTL-MRXNPFEDSA-N 2 1 346.434 3.782 20 30 EHEDMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C#N ZINC000443986862 1036214465 /nfs/dbraw/zinc/21/44/65/1036214465.db2.gz GEIFNFMLFKYVHD-NRFANRHFSA-N 2 1 333.479 3.521 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603472 1036506290 /nfs/dbraw/zinc/50/62/90/1036506290.db2.gz OJORINWOZBTXOK-FUHWJXTLSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603472 1036506300 /nfs/dbraw/zinc/50/63/00/1036506300.db2.gz OJORINWOZBTXOK-FUHWJXTLSA-N 2 1 330.903 3.934 20 30 EHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573247689 1037429158 /nfs/dbraw/zinc/42/91/58/1037429158.db2.gz FULNDJDKOOKXPO-ZCNNSNEGSA-N 2 1 326.484 3.507 20 30 EHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573247689 1037429162 /nfs/dbraw/zinc/42/91/62/1037429162.db2.gz FULNDJDKOOKXPO-ZCNNSNEGSA-N 2 1 326.484 3.507 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481189253 1040464807 /nfs/dbraw/zinc/46/48/07/1040464807.db2.gz LTPRVGNUXQMWSS-LAUBAEHRSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481189253 1040464815 /nfs/dbraw/zinc/46/48/15/1040464815.db2.gz LTPRVGNUXQMWSS-LAUBAEHRSA-N 2 1 349.478 3.567 20 30 EHEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000764964310 1127559739 /nfs/dbraw/zinc/55/97/39/1127559739.db2.gz SCQWKTKOSGCLFU-RTBURBONSA-N 2 1 328.500 3.861 20 30 EHEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000764964307 1127559983 /nfs/dbraw/zinc/55/99/83/1127559983.db2.gz SCQWKTKOSGCLFU-RBUKOAKNSA-N 2 1 328.500 3.861 20 30 EHEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(C#N)cs1 ZINC000153585944 1128474895 /nfs/dbraw/zinc/47/48/95/1128474895.db2.gz XFSXTWYARVFEQV-HZPDHXFCSA-N 2 1 339.508 3.866 20 30 EHEDMP Cc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000488162621 1122248086 /nfs/dbraw/zinc/24/80/86/1122248086.db2.gz XIZFZAXPKDYMDX-UHFFFAOYSA-N 2 1 334.467 3.610 20 30 EHEDMP CCN(Cc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1)C[C@H](C)C#N ZINC000246195921 1124048325 /nfs/dbraw/zinc/04/83/25/1124048325.db2.gz XBXGQVQKBVMFSS-QZTJIDSGSA-N 2 1 326.488 3.650 20 30 EHEDMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831813 1130175555 /nfs/dbraw/zinc/17/55/55/1130175555.db2.gz SOAAKSIRBHTUBT-NQIIRXRSSA-N 2 1 333.479 3.867 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324546 1131025509 /nfs/dbraw/zinc/02/55/09/1131025509.db2.gz JIBPQKJIVNXUMX-KDURUIRLSA-N 2 1 328.500 3.546 20 30 EHEDMP C=CCOC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173312301 1132037276 /nfs/dbraw/zinc/03/72/76/1132037276.db2.gz XVOYIFLHGKULTK-QNGMFEMESA-N 2 1 328.500 3.612 20 30 EHEDMP C#CCCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000768927771 1133205217 /nfs/dbraw/zinc/20/52/17/1133205217.db2.gz WIPCUNDYNAMKOI-UHFFFAOYSA-N 2 1 328.500 3.641 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716730941 1137488483 /nfs/dbraw/zinc/48/84/83/1137488483.db2.gz IHSXBMMYEMPDSP-BDTNDASRSA-N 2 1 331.463 3.701 20 30 EHEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876576397 1137656077 /nfs/dbraw/zinc/65/60/77/1137656077.db2.gz JCXVLHNNBJCVBN-UHFFFAOYSA-N 2 1 334.895 3.551 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876576397 1137656078 /nfs/dbraw/zinc/65/60/78/1137656078.db2.gz JCXVLHNNBJCVBN-UHFFFAOYSA-N 2 1 334.895 3.551 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1)CC(C)C ZINC000886104842 1138047143 /nfs/dbraw/zinc/04/71/43/1138047143.db2.gz LXGPNDLXGHIBHY-HXUWFJFHSA-N 2 1 349.563 3.511 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000135254325 1138737415 /nfs/dbraw/zinc/73/74/15/1138737415.db2.gz DGYOEGSYQAUZLZ-SFHVURJKSA-N 2 1 325.500 3.796 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000135254325 1138737419 /nfs/dbraw/zinc/73/74/19/1138737419.db2.gz DGYOEGSYQAUZLZ-SFHVURJKSA-N 2 1 325.500 3.796 20 30 EHEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183196745 1140019027 /nfs/dbraw/zinc/01/90/27/1140019027.db2.gz ZFGYWMIQPMAYDA-YQVWRLOYSA-N 2 1 341.499 3.893 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192839517 1140553044 /nfs/dbraw/zinc/55/30/44/1140553044.db2.gz AWANCFRXSKKULB-LJQANCHMSA-N 2 1 329.444 3.602 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167316191 1017949695 /nfs/dbraw/zinc/94/96/95/1017949695.db2.gz IYDITETXUZRMDR-HXUWFJFHSA-N 2 1 332.451 3.807 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280534258 1020462342 /nfs/dbraw/zinc/46/23/42/1020462342.db2.gz AFPXYDZEOVUUNT-WLRLJWMZSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280534258 1020462352 /nfs/dbraw/zinc/46/23/52/1020462352.db2.gz AFPXYDZEOVUUNT-WLRLJWMZSA-N 2 1 328.500 3.610 20 30 EHEDMP C[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434536 1021434787 /nfs/dbraw/zinc/43/47/87/1021434787.db2.gz BVRBVRPPMFZGRJ-YOEHRIQHSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434536 1021434796 /nfs/dbraw/zinc/43/47/96/1021434796.db2.gz BVRBVRPPMFZGRJ-YOEHRIQHSA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434536 1021434801 /nfs/dbraw/zinc/43/48/01/1021434801.db2.gz BVRBVRPPMFZGRJ-YOEHRIQHSA-N 2 1 331.891 3.954 20 30 EHEDMP N#CC1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665466 1033061734 /nfs/dbraw/zinc/06/17/34/1033061734.db2.gz BZEZAUIKGFXHEP-VEDCXYSMSA-N 2 1 325.500 3.961 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000510721059 1022995643 /nfs/dbraw/zinc/99/56/43/1022995643.db2.gz UHNHHMNLLTVEPA-QGOAFFKASA-N 2 1 328.500 3.866 20 30 EHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000439077138 1023251614 /nfs/dbraw/zinc/25/16/14/1023251614.db2.gz KRIFNLOGEWLBIE-LAUBAEHRSA-N 2 1 328.500 3.742 20 30 EHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000439077138 1023251616 /nfs/dbraw/zinc/25/16/16/1023251616.db2.gz KRIFNLOGEWLBIE-LAUBAEHRSA-N 2 1 328.500 3.742 20 30 EHEDMP C=CCOc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960465 /nfs/dbraw/zinc/96/04/65/1023960465.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 2 1 348.531 3.553 20 30 EHEDMP C=CCOc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960478 /nfs/dbraw/zinc/96/04/78/1023960478.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 2 1 348.531 3.553 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960490 /nfs/dbraw/zinc/96/04/90/1023960490.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 2 1 348.531 3.553 20 30 EHEDMP C=CCC[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000273590333 1029826170 /nfs/dbraw/zinc/82/61/70/1029826170.db2.gz OXZWQVYYPLXGGI-SFHVURJKSA-N 2 1 346.515 3.621 20 30 EHEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093693132 1030660822 /nfs/dbraw/zinc/66/08/22/1030660822.db2.gz HVCGOINHTMNJCF-IBGZPJMESA-N 2 1 329.488 3.533 20 30 EHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093693132 1030660831 /nfs/dbraw/zinc/66/08/31/1030660831.db2.gz HVCGOINHTMNJCF-IBGZPJMESA-N 2 1 329.488 3.533 20 30 EHEDMP N#Cc1ccc(C[NH+]2CCC(Nc3cc4c(c[nH+]3)CCCC4)CC2)cc1 ZINC000582520680 1035851791 /nfs/dbraw/zinc/85/17/91/1035851791.db2.gz YECGUBOAKJBVNX-UHFFFAOYSA-N 2 1 346.478 3.909 20 30 EHEDMP C[N@H+](Cc1ccc(CC#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000399040463 1036607064 /nfs/dbraw/zinc/60/70/64/1036607064.db2.gz RAZGVGIDMYSEER-JOCHJYFZSA-N 2 1 333.479 3.707 20 30 EHEDMP C[NH+](Cc1ccc(CC#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399040463 1036607065 /nfs/dbraw/zinc/60/70/65/1036607065.db2.gz RAZGVGIDMYSEER-JOCHJYFZSA-N 2 1 333.479 3.707 20 30 EHEDMP C[NH+](Cc1ccc(CC#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399040463 1036607066 /nfs/dbraw/zinc/60/70/66/1036607066.db2.gz RAZGVGIDMYSEER-JOCHJYFZSA-N 2 1 333.479 3.707 20 30 EHEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000045807081 1037431675 /nfs/dbraw/zinc/43/16/75/1037431675.db2.gz BHNGKMNZSKLHMP-UHFFFAOYSA-N 2 1 329.463 3.785 20 30 EHEDMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000538507849 1038350123 /nfs/dbraw/zinc/35/01/23/1038350123.db2.gz HVUYURBVKCRMOP-INIZCTEOSA-N 2 1 337.442 3.796 20 30 EHEDMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000538507849 1038350136 /nfs/dbraw/zinc/35/01/36/1038350136.db2.gz HVUYURBVKCRMOP-INIZCTEOSA-N 2 1 337.442 3.796 20 30 EHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466715 1040286988 /nfs/dbraw/zinc/28/69/88/1040286988.db2.gz SELLKUZPVFUBOK-FUHWJXTLSA-N 2 1 337.442 3.870 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481189254 1040464480 /nfs/dbraw/zinc/46/44/80/1040464480.db2.gz LTPRVGNUXQMWSS-UTKZUKDTSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481189254 1040464491 /nfs/dbraw/zinc/46/44/91/1040464491.db2.gz LTPRVGNUXQMWSS-UTKZUKDTSA-N 2 1 349.478 3.567 20 30 EHEDMP C=CC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CC=C)C3)COC2)C1 ZINC000661380308 1042093724 /nfs/dbraw/zinc/09/37/24/1042093724.db2.gz FIUPNWIBQJMDOI-PMACEKPBSA-N 2 1 332.532 3.579 20 30 EHEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000344299432 1043622409 /nfs/dbraw/zinc/62/24/09/1043622409.db2.gz HVQDKHUEPGNHQM-HXUWFJFHSA-N 2 1 331.423 3.710 20 30 EHEDMP C[N@H+]1CCC[C@@H](CNCc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775566 1128750782 /nfs/dbraw/zinc/75/07/82/1128750782.db2.gz GDLAPCTWXKCOOQ-YOEHRIQHSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775566 1128750787 /nfs/dbraw/zinc/75/07/87/1128750787.db2.gz GDLAPCTWXKCOOQ-YOEHRIQHSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775566 1128750788 /nfs/dbraw/zinc/75/07/88/1128750788.db2.gz GDLAPCTWXKCOOQ-YOEHRIQHSA-N 2 1 331.510 3.854 20 30 EHEDMP C[C@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921976410 1128989022 /nfs/dbraw/zinc/98/90/22/1128989022.db2.gz FEHIICOYNAIYLB-YJBOKZPZSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976410 1128989024 /nfs/dbraw/zinc/98/90/24/1128989024.db2.gz FEHIICOYNAIYLB-YJBOKZPZSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506670 1131762231 /nfs/dbraw/zinc/76/22/31/1131762231.db2.gz ZAMHWTXZYXHCPS-HMXCVIKNSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506670 1131762238 /nfs/dbraw/zinc/76/22/38/1131762238.db2.gz ZAMHWTXZYXHCPS-HMXCVIKNSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001172506670 1131762242 /nfs/dbraw/zinc/76/22/42/1131762242.db2.gz ZAMHWTXZYXHCPS-HMXCVIKNSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507045 1131763388 /nfs/dbraw/zinc/76/33/88/1131763388.db2.gz OCPMPZHPFNVUNK-YXYSEUPNSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507045 1131763395 /nfs/dbraw/zinc/76/33/95/1131763395.db2.gz OCPMPZHPFNVUNK-YXYSEUPNSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507045 1131763400 /nfs/dbraw/zinc/76/34/00/1131763400.db2.gz OCPMPZHPFNVUNK-YXYSEUPNSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172507045 1131763403 /nfs/dbraw/zinc/76/34/03/1131763403.db2.gz OCPMPZHPFNVUNK-YXYSEUPNSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332879 1132050637 /nfs/dbraw/zinc/05/06/37/1132050637.db2.gz VKHZFPUQGONFOE-AXIYNFMDSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332879 1132050643 /nfs/dbraw/zinc/05/06/43/1132050643.db2.gz VKHZFPUQGONFOE-AXIYNFMDSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594463 1132099458 /nfs/dbraw/zinc/09/94/58/1132099458.db2.gz DTYXCFNDKRWZIX-FXQQTDPRSA-N 2 1 344.528 3.512 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171179316 1137290776 /nfs/dbraw/zinc/29/07/76/1137290776.db2.gz RINGHIFXGGNKOR-AVRDEDQJSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001171221117 1137346841 /nfs/dbraw/zinc/34/68/41/1137346841.db2.gz IJCOSICWOWWARK-NQIIRXRSSA-N 2 1 325.500 3.830 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1C#N ZINC000773073309 1137463224 /nfs/dbraw/zinc/46/32/24/1137463224.db2.gz COCBEXSHZIDOKP-JXFKEZNVSA-N 2 1 341.499 3.700 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1C#N ZINC000773073335 1137463256 /nfs/dbraw/zinc/46/32/56/1137463256.db2.gz COCBEXSHZIDOKP-UZLBHIALSA-N 2 1 341.499 3.700 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172289570 1137548070 /nfs/dbraw/zinc/54/80/70/1137548070.db2.gz FMUQIQFFDMRVSX-XMSQKQJNSA-N 2 1 333.479 3.601 20 30 EHEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883190306 1137847907 /nfs/dbraw/zinc/84/79/07/1137847907.db2.gz ZKJWADCDGFFLLN-VXKWHMMOSA-N 2 1 342.527 3.797 20 30 EHEDMP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000121134580 1137955412 /nfs/dbraw/zinc/95/54/12/1137955412.db2.gz ANSFYPAQFVEAKI-LJQANCHMSA-N 2 1 331.504 3.838 20 30 EHEDMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174273965 1139410654 /nfs/dbraw/zinc/41/06/54/1139410654.db2.gz JQCIXJJQYQSOEM-IRXDYDNUSA-N 2 1 337.467 3.919 20 30 EHEDMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1C#N ZINC000174312861 1139413635 /nfs/dbraw/zinc/41/36/35/1139413635.db2.gz KVSMGKQMOZVQFE-UHFFFAOYSA-N 2 1 337.467 3.697 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000176958879 1139589764 /nfs/dbraw/zinc/58/97/64/1139589764.db2.gz GEMGLDVKTCCVKY-CQSZACIVSA-N 2 1 331.510 3.683 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000176958879 1139589771 /nfs/dbraw/zinc/58/97/71/1139589771.db2.gz GEMGLDVKTCCVKY-CQSZACIVSA-N 2 1 331.510 3.683 20 30 EHEDMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196725 1140020163 /nfs/dbraw/zinc/02/01/63/1140020163.db2.gz ZFGYWMIQPMAYDA-ZIFCJYIRSA-N 2 1 341.499 3.893 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639145445 1017425192 /nfs/dbraw/zinc/42/51/92/1017425192.db2.gz LJVDMPXTWWTDCP-KIZRIRGWSA-N 2 1 340.511 3.925 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639145445 1017425205 /nfs/dbraw/zinc/42/52/05/1017425205.db2.gz LJVDMPXTWWTDCP-KIZRIRGWSA-N 2 1 340.511 3.925 20 30 EHEDMP CCC[N@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000602468541 1032905858 /nfs/dbraw/zinc/90/58/58/1032905858.db2.gz MLKYYTSTUBSMHE-INIZCTEOSA-N 2 1 343.519 3.714 20 30 EHEDMP CCC[N@@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000602468541 1032905867 /nfs/dbraw/zinc/90/58/67/1032905867.db2.gz MLKYYTSTUBSMHE-INIZCTEOSA-N 2 1 343.519 3.714 20 30 EHEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499247 /nfs/dbraw/zinc/49/92/47/1022499247.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 2 1 340.515 3.549 20 30 EHEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499255 /nfs/dbraw/zinc/49/92/55/1022499255.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 2 1 340.515 3.549 20 30 EHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499262 /nfs/dbraw/zinc/49/92/62/1022499262.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 2 1 340.515 3.549 20 30 EHEDMP N#CC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000602717837 1033104832 /nfs/dbraw/zinc/10/48/32/1033104832.db2.gz IQZCKTGAQIVGCT-CKHPTIKVSA-N 2 1 337.511 3.961 20 30 EHEDMP N#Cc1csc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435061043 1024589073 /nfs/dbraw/zinc/58/90/73/1024589073.db2.gz WQOKVYAGKDCPTM-UHFFFAOYSA-N 2 1 326.469 3.532 20 30 EHEDMP C[C@@H](CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982711 1033286729 /nfs/dbraw/zinc/28/67/29/1033286729.db2.gz XENCSWUWPUNHIX-KJFMYELZSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@H](CC[NH+](C)[C@H]1CCC[C@H]1C#N)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982711 1033286745 /nfs/dbraw/zinc/28/67/45/1033286745.db2.gz XENCSWUWPUNHIX-KJFMYELZSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@H](CC[NH+](C)[C@H]1CCC[C@H]1C#N)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982711 1033286756 /nfs/dbraw/zinc/28/67/56/1033286756.db2.gz XENCSWUWPUNHIX-KJFMYELZSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421354095 1028297627 /nfs/dbraw/zinc/29/76/27/1028297627.db2.gz VITMZEYLGQAVOL-INIZCTEOSA-N 2 1 339.508 3.805 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000237483837 1028654272 /nfs/dbraw/zinc/65/42/72/1028654272.db2.gz DRURBNPEDNASFN-KRWDZBQOSA-N 2 1 341.499 3.722 20 30 EHEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594607141 1033474147 /nfs/dbraw/zinc/47/41/47/1033474147.db2.gz PVIJTLMDJONQQU-IBGZPJMESA-N 2 1 325.500 3.651 20 30 EHEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595058199 1033636822 /nfs/dbraw/zinc/63/68/22/1033636822.db2.gz ZGVVYIJFPWPKQM-PGRDOPGGSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595091331 1033701025 /nfs/dbraw/zinc/70/10/25/1033701025.db2.gz PKDXHCJPCCAHBT-QUCCMNQESA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595091331 1033701042 /nfs/dbraw/zinc/70/10/42/1033701042.db2.gz PKDXHCJPCCAHBT-QUCCMNQESA-N 2 1 325.500 3.961 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000613256195 1035478418 /nfs/dbraw/zinc/47/84/18/1035478418.db2.gz QREOVRHFPRPMMG-QMCAAQAGSA-N 2 1 337.511 3.959 20 30 EHEDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571604542 1035562581 /nfs/dbraw/zinc/56/25/81/1035562581.db2.gz DLPPZUJZKNUJPA-HNNXBMFYSA-N 2 1 339.405 3.787 20 30 EHEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571604542 1035562592 /nfs/dbraw/zinc/56/25/92/1035562592.db2.gz DLPPZUJZKNUJPA-HNNXBMFYSA-N 2 1 339.405 3.787 20 30 EHEDMP N#Cc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386062820 1036494156 /nfs/dbraw/zinc/49/41/56/1036494156.db2.gz DUFZKOQFOLHRGC-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC ZINC000539834687 1037263263 /nfs/dbraw/zinc/26/32/63/1037263263.db2.gz JDHYRGBFMNHYRY-LJQANCHMSA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OC ZINC000539834687 1037263275 /nfs/dbraw/zinc/26/32/75/1037263275.db2.gz JDHYRGBFMNHYRY-LJQANCHMSA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1OC ZINC000539834687 1037263287 /nfs/dbraw/zinc/26/32/87/1037263287.db2.gz JDHYRGBFMNHYRY-LJQANCHMSA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1OC ZINC000539834687 1037263305 /nfs/dbraw/zinc/26/33/05/1037263305.db2.gz JDHYRGBFMNHYRY-LJQANCHMSA-N 2 1 346.515 3.956 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)s2)CC1)CC1CC1 ZINC000539958347 1037406943 /nfs/dbraw/zinc/40/69/43/1037406943.db2.gz RCBJOEOPKHAUAD-UHFFFAOYSA-N 2 1 331.529 3.954 20 30 EHEDMP C[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552275786 1039150841 /nfs/dbraw/zinc/15/08/41/1039150841.db2.gz ADFSKKDROFIOTK-OKZBNKHCSA-N 2 1 336.401 3.519 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522016 1039197930 /nfs/dbraw/zinc/19/79/30/1039197930.db2.gz IKKVJHBHKRIJIZ-QYZOEREBSA-N 2 1 335.451 3.542 20 30 EHEDMP C=C(C[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000764103270 1127443094 /nfs/dbraw/zinc/44/30/94/1127443094.db2.gz UZBWKUCRAHBJDL-UHFFFAOYSA-N 2 1 329.488 3.507 20 30 EHEDMP N#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309667505 1128911642 /nfs/dbraw/zinc/91/16/42/1128911642.db2.gz QLWDGQHIXHJWRS-QGZVFWFLSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309667505 1128911650 /nfs/dbraw/zinc/91/16/50/1128911650.db2.gz QLWDGQHIXHJWRS-QGZVFWFLSA-N 2 1 325.481 3.622 20 30 EHEDMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266316 1123699090 /nfs/dbraw/zinc/69/90/90/1123699090.db2.gz SFCCRWUUHWCMIJ-AVRDEDQJSA-N 2 1 333.479 3.867 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000237593360 1123781705 /nfs/dbraw/zinc/78/17/05/1123781705.db2.gz UBIQPGSINNDTCA-GOSISDBHSA-N 2 1 349.478 3.515 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000237593360 1123781709 /nfs/dbraw/zinc/78/17/09/1123781709.db2.gz UBIQPGSINNDTCA-GOSISDBHSA-N 2 1 349.478 3.515 20 30 EHEDMP C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282419619 1129770166 /nfs/dbraw/zinc/77/01/66/1129770166.db2.gz SNYWGCDOGRVJFI-OXKPJDFFSA-N 2 1 325.500 3.817 20 30 EHEDMP C=CCOC1CCC([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173319077 1132060656 /nfs/dbraw/zinc/06/06/56/1132060656.db2.gz XDMHZHPERRZFLI-GOHCJOFJSA-N 2 1 343.515 3.667 20 30 EHEDMP N#CC1(c2ccccc2)CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001170381689 1134766751 /nfs/dbraw/zinc/76/67/51/1134766751.db2.gz VXFNFSNTHMCLNW-UHFFFAOYSA-N 2 1 349.522 3.808 20 30 EHEDMP N#CC1(c2ccccc2)CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001170381689 1134766756 /nfs/dbraw/zinc/76/67/56/1134766756.db2.gz VXFNFSNTHMCLNW-UHFFFAOYSA-N 2 1 349.522 3.808 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000815652834 1136626863 /nfs/dbraw/zinc/62/68/63/1136626863.db2.gz WEZVTCIPJFCMLH-AWEZNQCLSA-N 2 1 326.456 3.650 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000815652834 1136626864 /nfs/dbraw/zinc/62/68/64/1136626864.db2.gz WEZVTCIPJFCMLH-AWEZNQCLSA-N 2 1 326.456 3.650 20 30 EHEDMP C=C(C)COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820821175 1137005647 /nfs/dbraw/zinc/00/56/47/1137005647.db2.gz CVWHWGJOSDOBAD-SEJPIABJSA-N 2 1 328.500 3.754 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311979 1137744097 /nfs/dbraw/zinc/74/40/97/1137744097.db2.gz ZOPIHRCNCDTRLK-WTGUMLROSA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@@H]1C#N ZINC000879311979 1137744098 /nfs/dbraw/zinc/74/40/98/1137744098.db2.gz ZOPIHRCNCDTRLK-WTGUMLROSA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@H]1CCC[C@@H]1C#N ZINC000879311979 1137744099 /nfs/dbraw/zinc/74/40/99/1137744099.db2.gz ZOPIHRCNCDTRLK-WTGUMLROSA-N 2 1 330.520 3.795 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000067120605 1138079705 /nfs/dbraw/zinc/07/97/05/1138079705.db2.gz SRPHRLKSVPKTDF-LJQANCHMSA-N 2 1 342.531 3.781 20 30 EHEDMP N#CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000264976963 1138692321 /nfs/dbraw/zinc/69/23/21/1138692321.db2.gz JQHGYEZLSMPXRF-FQEVSTJZSA-N 2 1 341.499 3.677 20 30 EHEDMP N#CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000264976963 1138692325 /nfs/dbraw/zinc/69/23/25/1138692325.db2.gz JQHGYEZLSMPXRF-FQEVSTJZSA-N 2 1 341.499 3.677 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000174600585 1139430856 /nfs/dbraw/zinc/43/08/56/1139430856.db2.gz ZYKDQSJCLFOPDR-YQQQUEKLSA-N 2 1 344.499 3.755 20 30 EHEDMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181436635 1139906949 /nfs/dbraw/zinc/90/69/49/1139906949.db2.gz AWKXPZPOBWWOKG-SFHVURJKSA-N 2 1 349.478 3.688 20 30 EHEDMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000181436635 1139906953 /nfs/dbraw/zinc/90/69/53/1139906953.db2.gz AWKXPZPOBWWOKG-SFHVURJKSA-N 2 1 349.478 3.688 20 30 EHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681953 1139924494 /nfs/dbraw/zinc/92/44/94/1139924494.db2.gz JMMOFUKJOLXCPA-WIYYLYMNSA-N 2 1 333.479 3.773 20 30 EHEDMP CCC[NH+]1CCN(c2ccccc2C=[NH+]OCCC(F)(F)F)CC1 ZINC000777459900 1140391980 /nfs/dbraw/zinc/39/19/80/1140391980.db2.gz MJLRSUSFOAXLGF-UHFFFAOYSA-N 2 1 343.393 3.522 20 30 EHEDMP C[N@H+](Cc1ccccc1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926236 1015617533 /nfs/dbraw/zinc/61/75/33/1015617533.db2.gz LPKOGKZWHFMTNI-UHFFFAOYSA-N 2 1 333.479 3.697 20 30 EHEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926236 1015617536 /nfs/dbraw/zinc/61/75/36/1015617536.db2.gz LPKOGKZWHFMTNI-UHFFFAOYSA-N 2 1 333.479 3.697 20 30 EHEDMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449128421 1032219898 /nfs/dbraw/zinc/21/98/98/1032219898.db2.gz SFKNUPIZFZVESX-KBWCOIMZSA-N 2 1 343.515 3.758 20 30 EHEDMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449128421 1032219911 /nfs/dbraw/zinc/21/99/11/1032219911.db2.gz SFKNUPIZFZVESX-KBWCOIMZSA-N 2 1 343.515 3.758 20 30 EHEDMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000601997895 1032586842 /nfs/dbraw/zinc/58/68/42/1032586842.db2.gz NPLYGGWDYOENLR-UHFFFAOYSA-N 2 1 325.431 3.829 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134996441 1017994522 /nfs/dbraw/zinc/99/45/22/1017994522.db2.gz BNPQXLLRJNPHEA-UHFFFAOYSA-N 2 1 329.488 3.511 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403597 1032800717 /nfs/dbraw/zinc/80/07/17/1032800717.db2.gz PRSGVDWFRCJEGQ-ZTNFWEORSA-N 2 1 337.442 3.693 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403597 1032800724 /nfs/dbraw/zinc/80/07/24/1032800724.db2.gz PRSGVDWFRCJEGQ-ZTNFWEORSA-N 2 1 337.442 3.693 20 30 EHEDMP CCC[N@H+](C[C@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000602468542 1032905161 /nfs/dbraw/zinc/90/51/61/1032905161.db2.gz MLKYYTSTUBSMHE-MRXNPFEDSA-N 2 1 343.519 3.714 20 30 EHEDMP CCC[N@@H+](C[C@H](C)CCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000602468542 1032905177 /nfs/dbraw/zinc/90/51/77/1032905177.db2.gz MLKYYTSTUBSMHE-MRXNPFEDSA-N 2 1 343.519 3.714 20 30 EHEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)[NH+]2CCCC2)o1 ZINC000261985397 1021276869 /nfs/dbraw/zinc/27/68/69/1021276869.db2.gz JPWAHFSTLFJWPP-GOSISDBHSA-N 2 1 340.471 3.769 20 30 EHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C#N)CC3)CC2)cs1 ZINC000602556249 1032970915 /nfs/dbraw/zinc/97/09/15/1032970915.db2.gz KFIUGMPJJRFFEU-UHFFFAOYSA-N 2 1 346.544 3.589 20 30 EHEDMP C[NH+](C)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC000507569849 1021354117 /nfs/dbraw/zinc/35/41/17/1021354117.db2.gz SFWRBHGAWIKUIN-UHFFFAOYSA-N 2 1 325.500 3.855 20 30 EHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000439077140 1023252356 /nfs/dbraw/zinc/25/23/56/1023252356.db2.gz KRIFNLOGEWLBIE-UWJYYQICSA-N 2 1 328.500 3.742 20 30 EHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CC1 ZINC000439077140 1023252368 /nfs/dbraw/zinc/25/23/68/1023252368.db2.gz KRIFNLOGEWLBIE-UWJYYQICSA-N 2 1 328.500 3.742 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280905143 1024417155 /nfs/dbraw/zinc/41/71/55/1024417155.db2.gz OQKYFJGROQMKFM-IRXDYDNUSA-N 2 1 346.515 3.826 20 30 EHEDMP CC(CN(C)Cc1cccc(C#N)c1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000346429012 1024727759 /nfs/dbraw/zinc/72/77/59/1024727759.db2.gz FNDJLFWHDCAXTR-UHFFFAOYSA-N 2 1 346.478 3.630 20 30 EHEDMP CC(C[NH+](C)Cc1cccc(C#N)c1)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000346429012 1024727767 /nfs/dbraw/zinc/72/77/67/1024727767.db2.gz FNDJLFWHDCAXTR-UHFFFAOYSA-N 2 1 346.478 3.630 20 30 EHEDMP CC(C[NH+](C)Cc1cccc(C#N)c1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000346429012 1024727779 /nfs/dbraw/zinc/72/77/79/1024727779.db2.gz FNDJLFWHDCAXTR-UHFFFAOYSA-N 2 1 346.478 3.630 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000152943994 1026811193 /nfs/dbraw/zinc/81/11/93/1026811193.db2.gz BBYZHHWUFPQJLU-IBGZPJMESA-N 2 1 343.471 3.546 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000424297032 1028939281 /nfs/dbraw/zinc/93/92/81/1028939281.db2.gz PPFNDNYAHXIYKP-POHUPDAJSA-N 2 1 340.511 3.610 20 30 EHEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000177500146 1031548241 /nfs/dbraw/zinc/54/82/41/1031548241.db2.gz YAGUGCNMZVEONH-HDICACEKSA-N 2 1 335.536 3.528 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177583082 1031578672 /nfs/dbraw/zinc/57/86/72/1031578672.db2.gz UVXWXHAULHAXGF-KRWDZBQOSA-N 2 1 341.499 3.864 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000365271279 1034998652 /nfs/dbraw/zinc/99/86/52/1034998652.db2.gz UNASPYRDEINYJX-KKSFZXQISA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271279 1034998657 /nfs/dbraw/zinc/99/86/57/1034998657.db2.gz UNASPYRDEINYJX-KKSFZXQISA-N 2 1 337.442 3.698 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898522015 1039196694 /nfs/dbraw/zinc/19/66/94/1039196694.db2.gz IKKVJHBHKRIJIZ-CEXWTWQISA-N 2 1 335.451 3.542 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000181572986 1124934420 /nfs/dbraw/zinc/93/44/20/1124934420.db2.gz LJPXXIFCOIVWDN-MSOLQXFVSA-N 2 1 349.478 3.630 20 30 EHEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733326242 1131026701 /nfs/dbraw/zinc/02/67/01/1131026701.db2.gz QYGWQTPGVKIDIG-JOCHJYFZSA-N 2 1 348.490 3.700 20 30 EHEDMP CC[C@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197743 1134712632 /nfs/dbraw/zinc/71/26/32/1134712632.db2.gz YCOGPJJRKGELFO-NCYKPQTJSA-N 2 1 341.499 3.588 20 30 EHEDMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C1 ZINC001199336427 1135895762 /nfs/dbraw/zinc/89/57/62/1135895762.db2.gz OIZNTKLVXCCDMK-KNQAVFIVSA-N 2 1 341.543 3.659 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000815651840 1136626731 /nfs/dbraw/zinc/62/67/31/1136626731.db2.gz FVDVTSHZZPAPON-AWEZNQCLSA-N 2 1 344.446 3.947 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000815651840 1136626734 /nfs/dbraw/zinc/62/67/34/1136626734.db2.gz FVDVTSHZZPAPON-AWEZNQCLSA-N 2 1 344.446 3.947 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000815652890 1136626960 /nfs/dbraw/zinc/62/69/60/1136626960.db2.gz ZDVLSPXWMSJAPK-QGZVFWFLSA-N 2 1 325.500 3.769 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000815652890 1136626961 /nfs/dbraw/zinc/62/69/61/1136626961.db2.gz ZDVLSPXWMSJAPK-QGZVFWFLSA-N 2 1 325.500 3.769 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001171201703 1137318074 /nfs/dbraw/zinc/31/80/74/1137318074.db2.gz QDELBDANCGKZNI-DNVFCKCGSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001171201703 1137318076 /nfs/dbraw/zinc/31/80/76/1137318076.db2.gz QDELBDANCGKZNI-DNVFCKCGSA-N 2 1 347.506 3.989 20 30 EHEDMP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@H]2CC[C@H](C#N)C2)CC1 ZINC000886389246 1138073067 /nfs/dbraw/zinc/07/30/67/1138073067.db2.gz AHZOZINUHHFSKD-RPZLJYRGSA-N 2 1 328.504 3.546 20 30 EHEDMP C[NH+]([C@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389246 1138073069 /nfs/dbraw/zinc/07/30/69/1138073069.db2.gz AHZOZINUHHFSKD-RPZLJYRGSA-N 2 1 328.504 3.546 20 30 EHEDMP C[NH+]([C@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389246 1138073071 /nfs/dbraw/zinc/07/30/71/1138073071.db2.gz AHZOZINUHHFSKD-RPZLJYRGSA-N 2 1 328.504 3.546 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886605094 1138101142 /nfs/dbraw/zinc/10/11/42/1138101142.db2.gz JKWNIWDTYNXRAF-WIYBCGNWSA-N 2 1 340.511 3.610 20 30 EHEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091412316 1138219374 /nfs/dbraw/zinc/21/93/74/1138219374.db2.gz CFTLICHITJUPQT-LEWJYISDSA-N 2 1 331.463 3.942 20 30 EHEDMP C=CCc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1O ZINC000093563812 1138238484 /nfs/dbraw/zinc/23/84/84/1138238484.db2.gz DXQQWDIEVFJFRZ-LJQANCHMSA-N 2 1 344.499 3.580 20 30 EHEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1O ZINC000093563812 1138238485 /nfs/dbraw/zinc/23/84/85/1138238485.db2.gz DXQQWDIEVFJFRZ-LJQANCHMSA-N 2 1 344.499 3.580 20 30 EHEDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000178176905 1139677621 /nfs/dbraw/zinc/67/76/21/1139677621.db2.gz BTGNCKFGJQTTJO-SFHVURJKSA-N 2 1 333.479 3.916 20 30 EHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682035 1139924189 /nfs/dbraw/zinc/92/41/89/1139924189.db2.gz UEZPAELBUACGMK-WIYYLYMNSA-N 2 1 333.479 3.773 20 30 EHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352635 564008758 /nfs/dbraw/zinc/00/87/58/564008758.db2.gz UJQXQURAIQULSJ-QGZVFWFLSA-N 2 1 338.430 3.528 20 30 EHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352635 564008759 /nfs/dbraw/zinc/00/87/59/564008759.db2.gz UJQXQURAIQULSJ-QGZVFWFLSA-N 2 1 338.430 3.528 20 30 EHEDMP COc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311869607 1017045151 /nfs/dbraw/zinc/04/51/51/1017045151.db2.gz YXQCRPSZVHSLAY-JOCHJYFZSA-N 2 1 349.478 3.569 20 30 EHEDMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000449073155 1032160392 /nfs/dbraw/zinc/16/03/92/1032160392.db2.gz HRYZDWAITADZFJ-SFHVURJKSA-N 2 1 333.479 3.743 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)[C@@H]1c1cccs1 ZINC000177705642 1018620826 /nfs/dbraw/zinc/62/08/26/1018620826.db2.gz KQMJWEHUDSGUTB-WMLDXEAASA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)[C@@H]1c1cccs1 ZINC000177705642 1018620834 /nfs/dbraw/zinc/62/08/34/1018620834.db2.gz KQMJWEHUDSGUTB-WMLDXEAASA-N 2 1 331.510 3.854 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398165807 1018986990 /nfs/dbraw/zinc/98/69/90/1018986990.db2.gz TWENGYZTYCAEQR-UWJYYQICSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398165807 1018987001 /nfs/dbraw/zinc/98/70/01/1018987001.db2.gz TWENGYZTYCAEQR-UWJYYQICSA-N 2 1 349.478 3.567 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cn1 ZINC000262007949 1019513593 /nfs/dbraw/zinc/51/35/93/1019513593.db2.gz SGQRQFFGIXFYOM-UHFFFAOYSA-N 2 1 348.454 3.626 20 30 EHEDMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602516147 1032928659 /nfs/dbraw/zinc/92/86/59/1032928659.db2.gz IOBVAUMBZVEYQE-ROUUACIJSA-N 2 1 348.494 3.721 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895378083 1024428219 /nfs/dbraw/zinc/42/82/19/1024428219.db2.gz PNHPKKJIBGIDTH-QKLQHJQFSA-N 2 1 329.488 3.530 20 30 EHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343358 1025028778 /nfs/dbraw/zinc/02/87/78/1025028778.db2.gz BXLYNJKJNYWWJK-WMLDXEAASA-N 2 1 344.503 3.605 20 30 EHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343358 1025028787 /nfs/dbraw/zinc/02/87/87/1025028787.db2.gz BXLYNJKJNYWWJK-WMLDXEAASA-N 2 1 344.503 3.605 20 30 EHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610972 1025046539 /nfs/dbraw/zinc/04/65/39/1025046539.db2.gz PXGZGQYVNKKOGH-UHFFFAOYSA-N 2 1 328.416 3.568 20 30 EHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610972 1025046557 /nfs/dbraw/zinc/04/65/57/1025046557.db2.gz PXGZGQYVNKKOGH-UHFFFAOYSA-N 2 1 328.416 3.568 20 30 EHEDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000278276730 1029909970 /nfs/dbraw/zinc/90/99/70/1029909970.db2.gz PMXUFDXEFJPHDU-QFIPXVFZSA-N 2 1 349.478 3.631 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000532346299 1030572724 /nfs/dbraw/zinc/57/27/24/1030572724.db2.gz ZGKFFDJKVZFGHA-UHFFFAOYSA-N 2 1 337.305 3.888 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000603856934 1033983278 /nfs/dbraw/zinc/98/32/78/1033983278.db2.gz GARQHVUCIPDFOV-UHFFFAOYSA-N 2 1 338.499 3.755 20 30 EHEDMP CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000595886376 1034019864 /nfs/dbraw/zinc/01/98/64/1034019864.db2.gz WMVWXLCBVZSVNB-UHFFFAOYSA-N 2 1 325.378 3.541 20 30 EHEDMP C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000595896636 1034024561 /nfs/dbraw/zinc/02/45/61/1034024561.db2.gz SMYBPZHBLBUKMR-BLLLJJGKSA-N 2 1 325.378 3.526 20 30 EHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000595896636 1034024578 /nfs/dbraw/zinc/02/45/78/1034024578.db2.gz SMYBPZHBLBUKMR-BLLLJJGKSA-N 2 1 325.378 3.526 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000365271273 1034998465 /nfs/dbraw/zinc/99/84/65/1034998465.db2.gz UNASPYRDEINYJX-IERDGZPVSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271273 1034998473 /nfs/dbraw/zinc/99/84/73/1034998473.db2.gz UNASPYRDEINYJX-IERDGZPVSA-N 2 1 337.442 3.698 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414159214 1035813671 /nfs/dbraw/zinc/81/36/71/1035813671.db2.gz AZWMYTYGXZKUCW-XUVXKRRUSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000574004944 1037969695 /nfs/dbraw/zinc/96/96/95/1037969695.db2.gz ANVUIVLQYYUQFS-AWEZNQCLSA-N 2 1 339.405 3.789 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481189255 1040464044 /nfs/dbraw/zinc/46/40/44/1040464044.db2.gz LTPRVGNUXQMWSS-UWJYYQICSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481189255 1040464053 /nfs/dbraw/zinc/46/40/53/1040464053.db2.gz LTPRVGNUXQMWSS-UWJYYQICSA-N 2 1 349.478 3.567 20 30 EHEDMP N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000282125563 1121846762 /nfs/dbraw/zinc/84/67/62/1121846762.db2.gz BBTSAWYMTNMOFU-FSHZEEBSSA-N 2 1 337.511 3.817 20 30 EHEDMP C[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000114200254 1129123647 /nfs/dbraw/zinc/12/36/47/1129123647.db2.gz RIRGTHJKDWTMLE-UHFFFAOYSA-N 2 1 349.478 3.533 20 30 EHEDMP CN(CCOc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200254 1129123649 /nfs/dbraw/zinc/12/36/49/1129123649.db2.gz RIRGTHJKDWTMLE-UHFFFAOYSA-N 2 1 349.478 3.533 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043704 1125020987 /nfs/dbraw/zinc/02/09/87/1125020987.db2.gz PREDEQYLBRPGRM-RTBURBONSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OC ZINC000092043704 1125020993 /nfs/dbraw/zinc/02/09/93/1125020993.db2.gz PREDEQYLBRPGRM-RTBURBONSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000092043704 1125021002 /nfs/dbraw/zinc/02/10/02/1125021002.db2.gz PREDEQYLBRPGRM-RTBURBONSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043704 1125021010 /nfs/dbraw/zinc/02/10/10/1125021010.db2.gz PREDEQYLBRPGRM-RTBURBONSA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000152961222 1125408359 /nfs/dbraw/zinc/40/83/59/1125408359.db2.gz YWBDOLJYHCNSRW-OAHLLOKOSA-N 2 1 341.499 3.607 20 30 EHEDMP CO[C@H]1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931539 1131910534 /nfs/dbraw/zinc/91/05/34/1131910534.db2.gz UZLMMZUQVPPLPE-TUFLPTIASA-N 2 1 341.499 3.588 20 30 EHEDMP CCSC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173300104 1132032302 /nfs/dbraw/zinc/03/23/02/1132032302.db2.gz YOIUROITMMKTKW-SNRMKQJTSA-N 2 1 331.529 3.772 20 30 EHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971194 1133217354 /nfs/dbraw/zinc/21/73/54/1133217354.db2.gz FOXPZNQMEAWPJA-PSWRPDDJSA-N 2 1 342.527 3.858 20 30 EHEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971194 1133217362 /nfs/dbraw/zinc/21/73/62/1133217362.db2.gz FOXPZNQMEAWPJA-PSWRPDDJSA-N 2 1 342.527 3.858 20 30 EHEDMP C=C(Br)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000771474665 1133559757 /nfs/dbraw/zinc/55/97/57/1133559757.db2.gz BFBOQPHHGNRASL-UHFFFAOYSA-N 2 1 329.326 3.729 20 30 EHEDMP C=C(Br)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000771474665 1133559760 /nfs/dbraw/zinc/55/97/60/1133559760.db2.gz BFBOQPHHGNRASL-UHFFFAOYSA-N 2 1 329.326 3.729 20 30 EHEDMP N#Cc1ccc(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254018 /nfs/dbraw/zinc/25/40/18/1135254018.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 2 1 345.490 3.699 20 30 EHEDMP N#Cc1ccc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254023 /nfs/dbraw/zinc/25/40/23/1135254023.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 2 1 345.490 3.699 20 30 EHEDMP N#Cc1ccc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254027 /nfs/dbraw/zinc/25/40/27/1135254027.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 2 1 345.490 3.699 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196937397 1135631237 /nfs/dbraw/zinc/63/12/37/1135631237.db2.gz YSSNAHSNJYZOKS-OAQYLSRUSA-N 2 1 325.500 3.953 20 30 EHEDMP CCCCCCCCC[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201846909 1136070590 /nfs/dbraw/zinc/07/05/90/1136070590.db2.gz PDHXQPRKNRGHMO-RTWAWAEBSA-N 2 1 346.563 3.924 20 30 EHEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000866709748 1137375036 /nfs/dbraw/zinc/37/50/36/1137375036.db2.gz ZSMLVPXZJNWHGZ-QGZVFWFLSA-N 2 1 339.405 3.774 20 30 EHEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000866709748 1137375037 /nfs/dbraw/zinc/37/50/37/1137375037.db2.gz ZSMLVPXZJNWHGZ-QGZVFWFLSA-N 2 1 339.405 3.774 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716731495 1137488706 /nfs/dbraw/zinc/48/87/06/1137488706.db2.gz KGIQSOFWFOFJMK-BDTNDASRSA-N 2 1 331.463 3.701 20 30 EHEDMP N#Cc1cnc(Cl)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000876779093 1137661229 /nfs/dbraw/zinc/66/12/29/1137661229.db2.gz WDGBZZAKOCWRLG-UHFFFAOYSA-N 2 1 346.906 3.695 20 30 EHEDMP CC(C)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877767455 1137689029 /nfs/dbraw/zinc/68/90/29/1137689029.db2.gz KAYDFFSOSILURS-SFHVURJKSA-N 2 1 343.515 3.777 20 30 EHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(Cl)ccc1OCC#N ZINC000880516941 1137780394 /nfs/dbraw/zinc/78/03/94/1137780394.db2.gz FHRWCOFBVIPCQG-UHFFFAOYSA-N 2 1 349.906 3.940 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1Cc2ccccc2O1 ZINC000883167863 1137846962 /nfs/dbraw/zinc/84/69/62/1137846962.db2.gz JOPGRDAVPGKAMU-PZJWPPBQSA-N 2 1 326.484 3.541 20 30 EHEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000067120609 1138079767 /nfs/dbraw/zinc/07/97/67/1138079767.db2.gz DDPCTDMMCJAXOA-LJQANCHMSA-N 2 1 342.531 3.638 20 30 EHEDMP Cc1[nH]c(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886666044 1138111600 /nfs/dbraw/zinc/11/16/00/1138111600.db2.gz LLJGMUIIPDWGSV-UHFFFAOYSA-N 2 1 338.455 3.547 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602516144 1032929602 /nfs/dbraw/zinc/92/96/02/1032929602.db2.gz IOBVAUMBZVEYQE-HDICACEKSA-N 2 1 348.494 3.721 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602516144 1032929616 /nfs/dbraw/zinc/92/96/16/1032929616.db2.gz IOBVAUMBZVEYQE-HDICACEKSA-N 2 1 348.494 3.721 20 30 EHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000602606741 1033024098 /nfs/dbraw/zinc/02/40/98/1033024098.db2.gz GLHQOEOPPNCELW-BVOGOJNSSA-N 2 1 325.500 3.817 20 30 EHEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810026 1023651090 /nfs/dbraw/zinc/65/10/90/1023651090.db2.gz WGXGKHIZKAOEAR-RXVVDRJESA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535810026 1023651096 /nfs/dbraw/zinc/65/10/96/1023651096.db2.gz WGXGKHIZKAOEAR-RXVVDRJESA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535810026 1023651099 /nfs/dbraw/zinc/65/10/99/1023651099.db2.gz WGXGKHIZKAOEAR-RXVVDRJESA-N 2 1 326.484 3.700 20 30 EHEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000262191023 1024106702 /nfs/dbraw/zinc/10/67/02/1024106702.db2.gz CGTSTZDGAMVPRD-SFHVURJKSA-N 2 1 340.471 3.850 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(OCCC)c2)CC1 ZINC000106246200 1024563493 /nfs/dbraw/zinc/56/34/93/1024563493.db2.gz FGOSQBGTNIIENB-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCC)c2)CC1 ZINC000106246200 1024563506 /nfs/dbraw/zinc/56/35/06/1024563506.db2.gz FGOSQBGTNIIENB-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000120026377 1025718326 /nfs/dbraw/zinc/71/83/26/1025718326.db2.gz KKXDSIGNPJMBTJ-SFHVURJKSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000120026377 1025718344 /nfs/dbraw/zinc/71/83/44/1025718344.db2.gz KKXDSIGNPJMBTJ-SFHVURJKSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120029756 1025718757 /nfs/dbraw/zinc/71/87/57/1025718757.db2.gz IYMKLMZKKOGSBT-SFHVURJKSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120029756 1025718769 /nfs/dbraw/zinc/71/87/69/1025718769.db2.gz IYMKLMZKKOGSBT-SFHVURJKSA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462571 1026629428 /nfs/dbraw/zinc/62/94/28/1026629428.db2.gz GMYQFXPTQAYZLK-VQIMIIECSA-N 2 1 337.442 3.870 20 30 EHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462571 1026629433 /nfs/dbraw/zinc/62/94/33/1026629433.db2.gz GMYQFXPTQAYZLK-VQIMIIECSA-N 2 1 337.442 3.870 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000152952871 1026824236 /nfs/dbraw/zinc/82/42/36/1026824236.db2.gz LCWKLQPOCWILGI-MRXNPFEDSA-N 2 1 332.488 3.703 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000424294255 1028935439 /nfs/dbraw/zinc/93/54/39/1028935439.db2.gz KCKZIJWJUUFMTK-HAMDTZRPSA-N 2 1 328.500 3.610 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000483730056 1031305274 /nfs/dbraw/zinc/30/52/74/1031305274.db2.gz PJHKRMTUOMUORC-NPHXMPSESA-N 2 1 332.491 3.784 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000483730056 1031305293 /nfs/dbraw/zinc/30/52/93/1031305293.db2.gz PJHKRMTUOMUORC-NPHXMPSESA-N 2 1 332.491 3.784 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000343625568 1031692240 /nfs/dbraw/zinc/69/22/40/1031692240.db2.gz SGBVIQCHFYZIDU-UHFFFAOYSA-N 2 1 332.488 3.568 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC ZINC000343625568 1031692250 /nfs/dbraw/zinc/69/22/50/1031692250.db2.gz SGBVIQCHFYZIDU-UHFFFAOYSA-N 2 1 332.488 3.568 20 30 EHEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595058200 1033637470 /nfs/dbraw/zinc/63/74/70/1033637470.db2.gz ZGVVYIJFPWPKQM-XMSQKQJNSA-N 2 1 333.479 3.601 20 30 EHEDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372420 1033891521 /nfs/dbraw/zinc/89/15/21/1033891521.db2.gz JLUKGHSGEAKPQM-PGRDOPGGSA-N 2 1 333.479 3.867 20 30 EHEDMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000596648670 1034346342 /nfs/dbraw/zinc/34/63/42/1034346342.db2.gz CUTVWYVHVZBRBI-WWFYLNGCSA-N 2 1 341.499 3.593 20 30 EHEDMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C#N ZINC000443986865 1036230567 /nfs/dbraw/zinc/23/05/67/1036230567.db2.gz GEIFNFMLFKYVHD-OAQYLSRUSA-N 2 1 333.479 3.521 20 30 EHEDMP C=CC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380311 1042093412 /nfs/dbraw/zinc/09/34/12/1042093412.db2.gz FIUPNWIBQJMDOI-WOJBJXKFSA-N 2 1 332.532 3.579 20 30 EHEDMP Cc1ccc([C@H](Cn2ccnc2)NCc2ccc(C#N)s2)c(C)c1 ZINC000344853765 1044532304 /nfs/dbraw/zinc/53/23/04/1044532304.db2.gz YUZOOPKBXSCUOH-IBGZPJMESA-N 2 1 336.464 3.964 20 30 EHEDMP CCN(Cc1cc(C#N)cs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818845 1129604267 /nfs/dbraw/zinc/60/42/67/1129604267.db2.gz FPBALINNORUWCD-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818845 1129604268 /nfs/dbraw/zinc/60/42/68/1129604268.db2.gz FPBALINNORUWCD-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818845 1129604269 /nfs/dbraw/zinc/60/42/69/1129604269.db2.gz FPBALINNORUWCD-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[NH+](Cc1cc(C#N)cs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818845 1129604270 /nfs/dbraw/zinc/60/42/70/1129604270.db2.gz FPBALINNORUWCD-GOSISDBHSA-N 2 1 339.508 3.964 20 30 EHEDMP CCN(Cc1cc(C#N)cs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818844 1129604295 /nfs/dbraw/zinc/60/42/95/1129604295.db2.gz FPBALINNORUWCD-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818844 1129604296 /nfs/dbraw/zinc/60/42/96/1129604296.db2.gz FPBALINNORUWCD-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818844 1129604297 /nfs/dbraw/zinc/60/42/97/1129604297.db2.gz FPBALINNORUWCD-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP CC[NH+](Cc1cc(C#N)cs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818844 1129604298 /nfs/dbraw/zinc/60/42/98/1129604298.db2.gz FPBALINNORUWCD-SFHVURJKSA-N 2 1 339.508 3.964 20 30 EHEDMP C=CC[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](CC=C)C3)c2)C1 ZINC000625701029 1129986105 /nfs/dbraw/zinc/98/61/05/1129986105.db2.gz GKONBKQIYJKMOH-KDURUIRLSA-N 2 1 325.500 3.878 20 30 EHEDMP C=CC[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](CC=C)C3)c2)C1 ZINC000625701029 1129986107 /nfs/dbraw/zinc/98/61/07/1129986107.db2.gz GKONBKQIYJKMOH-KDURUIRLSA-N 2 1 325.500 3.878 20 30 EHEDMP C=CC[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](CC=C)C3)c2)C1 ZINC000625701029 1129986109 /nfs/dbraw/zinc/98/61/09/1129986109.db2.gz GKONBKQIYJKMOH-KDURUIRLSA-N 2 1 325.500 3.878 20 30 EHEDMP CC(C)OCC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172445594 1131744554 /nfs/dbraw/zinc/74/45/54/1131744554.db2.gz SDSOQEJMMDZQCA-YYWHXJBOSA-N 2 1 343.515 3.834 20 30 EHEDMP CC1(C#N)CCC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173598308 1132100550 /nfs/dbraw/zinc/10/05/50/1132100550.db2.gz OZKZSZFCOROCKW-UHFFFAOYSA-N 2 1 337.511 3.982 20 30 EHEDMP CC1(C#N)CCC([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173598308 1132100557 /nfs/dbraw/zinc/10/05/57/1132100557.db2.gz OZKZSZFCOROCKW-UHFFFAOYSA-N 2 1 337.511 3.982 20 30 EHEDMP C[C@H](CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[NH+](C)C ZINC001203270300 1133893161 /nfs/dbraw/zinc/89/31/61/1133893161.db2.gz IXEHPTSWSNWSIQ-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850123551 1136212547 /nfs/dbraw/zinc/21/25/47/1136212547.db2.gz PJGSBMWNOCDHHZ-UHFFFAOYSA-N 2 1 346.515 3.828 20 30 EHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)cc1 ZINC000859214616 1137008372 /nfs/dbraw/zinc/00/83/72/1137008372.db2.gz LKHKHVKONOWCHI-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172296201 1137548762 /nfs/dbraw/zinc/54/87/62/1137548762.db2.gz GGDHOXSOJNMJJL-LJQANCHMSA-N 2 1 347.506 3.786 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000153056880 1139120329 /nfs/dbraw/zinc/12/03/29/1139120329.db2.gz QXOYAVVMNPNCBQ-INIZCTEOSA-N 2 1 331.460 3.546 20 30 EHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccccc1 ZINC000104155580 1139196289 /nfs/dbraw/zinc/19/62/89/1139196289.db2.gz DLGLEUNVOTVJLZ-LJQANCHMSA-N 2 1 340.471 3.505 20 30 EHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682019 1139924390 /nfs/dbraw/zinc/92/43/90/1139924390.db2.gz UEZPAELBUACGMK-GHTZIAJQSA-N 2 1 333.479 3.773 20 30 EHEDMP FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267408927 1140788008 /nfs/dbraw/zinc/78/80/08/1140788008.db2.gz SNFIYMVWZHEGCP-UHFFFAOYSA-N 2 1 333.357 3.660 20 30 EHEDMP CC(C)(C#N)CC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705683299 1016163350 /nfs/dbraw/zinc/16/33/50/1016163350.db2.gz DOVSDXUBWXPSGM-OYRHEFFESA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705683299 1016163358 /nfs/dbraw/zinc/16/33/58/1016163358.db2.gz DOVSDXUBWXPSGM-OYRHEFFESA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705683299 1016163361 /nfs/dbraw/zinc/16/33/61/1016163361.db2.gz DOVSDXUBWXPSGM-OYRHEFFESA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705683299 1016163366 /nfs/dbraw/zinc/16/33/66/1016163366.db2.gz DOVSDXUBWXPSGM-OYRHEFFESA-N 2 1 325.500 3.770 20 30 EHEDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000311549322 1016823527 /nfs/dbraw/zinc/82/35/27/1016823527.db2.gz VTHRPZLPPVFUBO-HXUWFJFHSA-N 2 1 349.478 3.569 20 30 EHEDMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000601994731 1032585571 /nfs/dbraw/zinc/58/55/71/1032585571.db2.gz BMFYBJRNXJEBNA-UHFFFAOYSA-N 2 1 325.431 3.829 20 30 EHEDMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000328658063 1022455533 /nfs/dbraw/zinc/45/55/33/1022455533.db2.gz QIODFHFPDJMPBO-HZPDHXFCSA-N 2 1 344.503 3.686 20 30 EHEDMP C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000328658063 1022455542 /nfs/dbraw/zinc/45/55/42/1022455542.db2.gz QIODFHFPDJMPBO-HZPDHXFCSA-N 2 1 344.503 3.686 20 30 EHEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677719 1027203219 /nfs/dbraw/zinc/20/32/19/1027203219.db2.gz SBGRRRMKSZTUJL-MSOLQXFVSA-N 2 1 335.561 3.761 20 30 EHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453354112 1030147694 /nfs/dbraw/zinc/14/76/94/1030147694.db2.gz NAYITEZMARZVGI-VFUGHAIPSA-N 2 1 328.500 3.753 20 30 EHEDMP C[N@@H+](CCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC1 ZINC000453419378 1030270531 /nfs/dbraw/zinc/27/05/31/1030270531.db2.gz YZGYNZUGRMIBSX-UHFFFAOYSA-N 2 1 325.500 3.855 20 30 EHEDMP N#Cc1ccc(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000595467901 1033821667 /nfs/dbraw/zinc/82/16/67/1033821667.db2.gz QPVBNGLPAWIJGU-UHFFFAOYSA-N 2 1 334.467 3.513 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964675 1035538088 /nfs/dbraw/zinc/53/80/88/1035538088.db2.gz SJMBCSNADLFKIX-HNNXBMFYSA-N 2 1 325.431 4.000 20 30 EHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152480044 1036879286 /nfs/dbraw/zinc/87/92/86/1036879286.db2.gz AVOYUVHPYJMSSH-HZPDHXFCSA-N 2 1 334.891 3.953 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)cc1 ZINC001167701580 1037068973 /nfs/dbraw/zinc/06/89/73/1037068973.db2.gz PWISJLJKUDLEPH-HXUWFJFHSA-N 2 1 332.451 3.807 20 30 EHEDMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)[nH+]c1 ZINC000512623262 1040291972 /nfs/dbraw/zinc/29/19/72/1040291972.db2.gz DVOQZJHBNZENAV-OAHLLOKOSA-N 2 1 338.430 3.720 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919127 1040938048 /nfs/dbraw/zinc/93/80/48/1040938048.db2.gz HABLAYZWTIPTRK-GOSISDBHSA-N 2 1 337.467 3.762 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433178418 1040991476 /nfs/dbraw/zinc/99/14/76/1040991476.db2.gz RWANVLUKFIWSIA-LJQANCHMSA-N 2 1 343.471 3.947 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700152 1126987186 /nfs/dbraw/zinc/98/71/86/1126987186.db2.gz KOVHOQWBNSGUQF-WMZOPIPTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700152 1126987188 /nfs/dbraw/zinc/98/71/88/1126987188.db2.gz KOVHOQWBNSGUQF-WMZOPIPTSA-N 2 1 330.903 3.934 20 30 EHEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982334 /nfs/dbraw/zinc/98/23/34/1128982334.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982336 /nfs/dbraw/zinc/98/23/36/1128982336.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982338 /nfs/dbraw/zinc/98/23/38/1128982338.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905650 1129221201 /nfs/dbraw/zinc/22/12/01/1129221201.db2.gz AWHONWAOHKPRBN-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173601429 1132101754 /nfs/dbraw/zinc/10/17/54/1132101754.db2.gz SYJNKYSXGUYCJC-QINBWVTOSA-N 2 1 337.511 3.913 20 30 EHEDMP CC1(C#N)CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173601429 1132101758 /nfs/dbraw/zinc/10/17/58/1132101758.db2.gz SYJNKYSXGUYCJC-QINBWVTOSA-N 2 1 337.511 3.913 20 30 EHEDMP CC(C)C[N@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000768153192 1133102738 /nfs/dbraw/zinc/10/27/38/1133102738.db2.gz ANYNKXKRZNCYAM-UHFFFAOYSA-N 2 1 342.531 3.589 20 30 EHEDMP CC(C)C[N@@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000768153192 1133102740 /nfs/dbraw/zinc/10/27/40/1133102740.db2.gz ANYNKXKRZNCYAM-UHFFFAOYSA-N 2 1 342.531 3.589 20 30 EHEDMP CCCCCCCCOC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001194735385 1135308193 /nfs/dbraw/zinc/30/81/93/1135308193.db2.gz NMMLOJFAXIYASM-UHFFFAOYSA-N 2 1 348.491 3.742 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171179319 1137290696 /nfs/dbraw/zinc/29/06/96/1137290696.db2.gz RINGHIFXGGNKOR-XMSQKQJNSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001171228960 1137353737 /nfs/dbraw/zinc/35/37/37/1137353737.db2.gz JYSSQONMTHIZHE-QMMLZNLJSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001171228960 1137353739 /nfs/dbraw/zinc/35/37/39/1137353739.db2.gz JYSSQONMTHIZHE-QMMLZNLJSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001171228960 1137353741 /nfs/dbraw/zinc/35/37/41/1137353741.db2.gz JYSSQONMTHIZHE-QMMLZNLJSA-N 2 1 325.500 3.828 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000135254293 1138737755 /nfs/dbraw/zinc/73/77/55/1138737755.db2.gz DGYOEGSYQAUZLZ-GOSISDBHSA-N 2 1 325.500 3.796 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000135254293 1138737761 /nfs/dbraw/zinc/73/77/61/1138737761.db2.gz DGYOEGSYQAUZLZ-GOSISDBHSA-N 2 1 325.500 3.796 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000187271127 1140247723 /nfs/dbraw/zinc/24/77/23/1140247723.db2.gz GXFXKWNFNMPSGC-INIZCTEOSA-N 2 1 334.479 3.643 20 30 EHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000269445033 1141110012 /nfs/dbraw/zinc/11/00/12/1141110012.db2.gz UPQGFBBUYUXFSI-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000280776952 1022467561 /nfs/dbraw/zinc/46/75/61/1022467561.db2.gz HSGGXNBJQFLXQS-CVAIRZPRSA-N 2 1 325.456 3.813 20 30 EHEDMP C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924983586 1024371057 /nfs/dbraw/zinc/37/10/57/1024371057.db2.gz CUSYUUGFHDAAQR-ZDUSSCGKSA-N 2 1 338.293 3.535 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(Br)s2)CC1 ZINC000106245604 1024563560 /nfs/dbraw/zinc/56/35/60/1024563560.db2.gz NDDFZBLJGIRUHY-UHFFFAOYSA-N 2 1 329.307 3.641 20 30 EHEDMP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000329185517 1025651250 /nfs/dbraw/zinc/65/12/50/1025651250.db2.gz OQTJAUHWMJDNAQ-PBHICJAKSA-N 2 1 326.444 3.671 20 30 EHEDMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000329185517 1025651255 /nfs/dbraw/zinc/65/12/55/1025651255.db2.gz OQTJAUHWMJDNAQ-PBHICJAKSA-N 2 1 326.444 3.671 20 30 EHEDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462569 1026629198 /nfs/dbraw/zinc/62/91/98/1026629198.db2.gz GMYQFXPTQAYZLK-QFBILLFUSA-N 2 1 337.442 3.870 20 30 EHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462569 1026629202 /nfs/dbraw/zinc/62/92/02/1026629202.db2.gz GMYQFXPTQAYZLK-QFBILLFUSA-N 2 1 337.442 3.870 20 30 EHEDMP C=CCC[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000273590329 1029826380 /nfs/dbraw/zinc/82/63/80/1029826380.db2.gz OXZWQVYYPLXGGI-GOSISDBHSA-N 2 1 346.515 3.621 20 30 EHEDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000595893193 1034023639 /nfs/dbraw/zinc/02/36/39/1034023639.db2.gz NDOTWNOEMGYWGC-ZDUSSCGKSA-N 2 1 337.389 3.541 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271267 1034998357 /nfs/dbraw/zinc/99/83/57/1034998357.db2.gz UNASPYRDEINYJX-HRAATJIYSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271267 1034998360 /nfs/dbraw/zinc/99/83/60/1034998360.db2.gz UNASPYRDEINYJX-HRAATJIYSA-N 2 1 337.442 3.698 20 30 EHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000589350829 1036370792 /nfs/dbraw/zinc/37/07/92/1036370792.db2.gz HOIYFGUYJHHAAV-QHAWAJNXSA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513508 1038431965 /nfs/dbraw/zinc/43/19/65/1038431965.db2.gz NQIGAHWOUJWCDN-KSZLIROESA-N 2 1 329.488 3.608 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522943 1039197246 /nfs/dbraw/zinc/19/72/46/1039197246.db2.gz WBNNYUYDYFHUKA-LXHROKJGSA-N 2 1 337.511 3.959 20 30 EHEDMP C=CCc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000500287272 1040936017 /nfs/dbraw/zinc/93/60/17/1040936017.db2.gz KCLVULGDTPDZCM-IAGOWNOFSA-N 2 1 346.515 3.587 20 30 EHEDMP CSc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C#N ZINC000925771994 1042828911 /nfs/dbraw/zinc/82/89/11/1042828911.db2.gz FWANSHCUONGGDP-MOPGFXCFSA-N 2 1 337.492 3.863 20 30 EHEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000367905185 1127412615 /nfs/dbraw/zinc/41/26/15/1127412615.db2.gz VYSZDTSTATUNBH-SLFFLAALSA-N 2 1 325.500 3.817 20 30 EHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057843679 1128715927 /nfs/dbraw/zinc/71/59/27/1128715927.db2.gz DPDRUKDTCLLEFD-UHFFFAOYSA-N 2 1 333.479 3.902 20 30 EHEDMP C=CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000766021613 1129813097 /nfs/dbraw/zinc/81/30/97/1129813097.db2.gz UTFZJRBVZFZZTB-QFIPXVFZSA-N 2 1 335.495 3.996 20 30 EHEDMP COc1ccccc1C[N@@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486261 1131739910 /nfs/dbraw/zinc/73/99/10/1131739910.db2.gz COLUDBDRSITXLO-BHIYHBOVSA-N 2 1 329.488 3.849 20 30 EHEDMP CC(C)OCC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446072 1131744732 /nfs/dbraw/zinc/74/47/32/1131744732.db2.gz VWMMJPYPTMPMGF-DUXKGJEZSA-N 2 1 343.515 3.834 20 30 EHEDMP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000811517539 1136097616 /nfs/dbraw/zinc/09/76/16/1136097616.db2.gz VCQDRNVRMPKXST-HXUWFJFHSA-N 2 1 342.870 3.745 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199170 1137311781 /nfs/dbraw/zinc/31/17/81/1137311781.db2.gz VQGPDFGQKABDBB-HSQYWUDLSA-N 2 1 348.494 3.656 20 30 EHEDMP C[NH+](C)CC1CC[NH+](c2ccc(NC3CCC(C#N)CC3)cc2)CC1 ZINC000876866365 1137664247 /nfs/dbraw/zinc/66/42/47/1137664247.db2.gz SDNBDNMOWCIANY-UHFFFAOYSA-N 2 1 340.515 3.959 20 30 EHEDMP C=CCc1cc(OC)cc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c1O ZINC000884475111 1137960904 /nfs/dbraw/zinc/96/09/04/1137960904.db2.gz YHYFFTOTHNYDNY-UHFFFAOYSA-N 2 1 344.499 3.580 20 30 EHEDMP C[C@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000174172057 1139403784 /nfs/dbraw/zinc/40/37/84/1139403784.db2.gz AUOCKHMNZLBUJW-PKOBYXMFSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@H+]1Cc1ccccc1 ZINC000174172057 1139403787 /nfs/dbraw/zinc/40/37/87/1139403787.db2.gz AUOCKHMNZLBUJW-PKOBYXMFSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]1C[C@H]([N@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172057 1139403793 /nfs/dbraw/zinc/40/37/93/1139403793.db2.gz AUOCKHMNZLBUJW-PKOBYXMFSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172057 1139403794 /nfs/dbraw/zinc/40/37/94/1139403794.db2.gz AUOCKHMNZLBUJW-PKOBYXMFSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000174172045 1139404019 /nfs/dbraw/zinc/40/40/19/1139404019.db2.gz AUOCKHMNZLBUJW-IEBWSBKVSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@H]([NH+](C)CCCSCC#N)CC[N@H+]1Cc1ccccc1 ZINC000174172045 1139404021 /nfs/dbraw/zinc/40/40/21/1139404021.db2.gz AUOCKHMNZLBUJW-IEBWSBKVSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@H]([N@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172045 1139404023 /nfs/dbraw/zinc/40/40/23/1139404023.db2.gz AUOCKHMNZLBUJW-IEBWSBKVSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172045 1139404025 /nfs/dbraw/zinc/40/40/25/1139404025.db2.gz AUOCKHMNZLBUJW-IEBWSBKVSA-N 2 1 331.529 3.618 20 30 EHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000269385860 1141102446 /nfs/dbraw/zinc/10/24/46/1141102446.db2.gz AXSHSZJLYRATFV-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP N#Cc1csc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000177699012 1018535791 /nfs/dbraw/zinc/53/57/91/1018535791.db2.gz MCBWXQKRMRHXKA-YQQQUEKLSA-N 2 1 337.492 3.905 20 30 EHEDMP N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000177699012 1018535812 /nfs/dbraw/zinc/53/58/12/1018535812.db2.gz MCBWXQKRMRHXKA-YQQQUEKLSA-N 2 1 337.492 3.905 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000513502199 1019759205 /nfs/dbraw/zinc/75/92/05/1019759205.db2.gz YCAZERYGCMSQHK-GCJKJVERSA-N 2 1 333.479 3.949 20 30 EHEDMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775913 /nfs/dbraw/zinc/77/59/13/1020775913.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775918 /nfs/dbraw/zinc/77/59/18/1020775918.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775924 /nfs/dbraw/zinc/77/59/24/1020775924.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775931 /nfs/dbraw/zinc/77/59/31/1020775931.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP C[C@H](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000602574379 1032984272 /nfs/dbraw/zinc/98/42/72/1032984272.db2.gz ZONQYPGTLCYZKA-RBUKOAKNSA-N 2 1 343.515 3.586 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428760 1023125389 /nfs/dbraw/zinc/12/53/89/1023125389.db2.gz JUNRFZYUMGQIBI-OAQYLSRUSA-N 2 1 349.478 3.569 20 30 EHEDMP C#CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183101975 1024167756 /nfs/dbraw/zinc/16/77/56/1024167756.db2.gz YJRSDJFCHDHQJI-UYAOXDASSA-N 2 1 340.511 3.831 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000106245347 1027686174 /nfs/dbraw/zinc/68/61/74/1027686174.db2.gz WMFYDNSOWWSRFE-UHFFFAOYSA-N 2 1 342.405 3.758 20 30 EHEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624805 1028205549 /nfs/dbraw/zinc/20/55/49/1028205549.db2.gz DWTBNHBKYHGHQW-DYESRHJHSA-N 2 1 349.478 3.710 20 30 EHEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624805 1028205566 /nfs/dbraw/zinc/20/55/66/1028205566.db2.gz DWTBNHBKYHGHQW-DYESRHJHSA-N 2 1 349.478 3.710 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000421330809 1028275791 /nfs/dbraw/zinc/27/57/91/1028275791.db2.gz YPTZJUWNENRGND-MRXNPFEDSA-N 2 1 343.471 3.761 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000421330809 1028275807 /nfs/dbraw/zinc/27/58/07/1028275807.db2.gz YPTZJUWNENRGND-MRXNPFEDSA-N 2 1 343.471 3.761 20 30 EHEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992929 1031511398 /nfs/dbraw/zinc/51/13/98/1031511398.db2.gz QAYUXKOLFXHOKV-UHFFFAOYSA-N 2 1 341.499 3.866 20 30 EHEDMP N#CCCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000594506052 1033405953 /nfs/dbraw/zinc/40/59/53/1033405953.db2.gz KMXWRUANGDEXLO-RTWAWAEBSA-N 2 1 341.499 3.655 20 30 EHEDMP C[N@@H+](CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000594915713 1033545220 /nfs/dbraw/zinc/54/52/20/1033545220.db2.gz WFDGGTGJFMRKRV-UHFFFAOYSA-N 2 1 325.500 3.986 20 30 EHEDMP N#CC1(c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000594920700 1033547089 /nfs/dbraw/zinc/54/70/89/1033547089.db2.gz HHSJFNFENNTHNI-UHFFFAOYSA-N 2 1 345.490 3.996 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594961364 1033600730 /nfs/dbraw/zinc/60/07/30/1033600730.db2.gz XVJBEIMUBAUGEP-LJQANCHMSA-N 2 1 325.500 3.699 20 30 EHEDMP CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658515 1034092119 /nfs/dbraw/zinc/09/21/19/1034092119.db2.gz ADSARYDDOZVHEG-UHFFFAOYSA-N 2 1 343.515 3.671 20 30 EHEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967262 1034585862 /nfs/dbraw/zinc/58/58/62/1034585862.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967262 1034585879 /nfs/dbraw/zinc/58/58/79/1034585879.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967262 1034585890 /nfs/dbraw/zinc/58/58/90/1034585890.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967262 1034585898 /nfs/dbraw/zinc/58/58/98/1034585898.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1F ZINC000443976742 1036142196 /nfs/dbraw/zinc/14/21/96/1036142196.db2.gz FTVPFYCXOVUECN-UHFFFAOYSA-N 2 1 334.398 3.790 20 30 EHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000589350827 1036369635 /nfs/dbraw/zinc/36/96/35/1036369635.db2.gz HOIYFGUYJHHAAV-NJDAHSKKSA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006829 1036606267 /nfs/dbraw/zinc/60/62/67/1036606267.db2.gz YYHYOZLYZZDPCJ-GCJKJVERSA-N 2 1 333.479 3.753 20 30 EHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152479918 1036876996 /nfs/dbraw/zinc/87/69/96/1036876996.db2.gz AVOYUVHPYJMSSH-JKSUJKDBSA-N 2 1 334.891 3.953 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1OC ZINC000539818769 1037234559 /nfs/dbraw/zinc/23/45/59/1037234559.db2.gz LEIJXTZTHPCYSV-HKUYNNGSSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000539818769 1037234570 /nfs/dbraw/zinc/23/45/70/1037234570.db2.gz LEIJXTZTHPCYSV-HKUYNNGSSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000539818769 1037234577 /nfs/dbraw/zinc/23/45/77/1037234577.db2.gz LEIJXTZTHPCYSV-HKUYNNGSSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000539818769 1037234582 /nfs/dbraw/zinc/23/45/82/1037234582.db2.gz LEIJXTZTHPCYSV-HKUYNNGSSA-N 2 1 346.515 3.955 20 30 EHEDMP C=CCC1([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551115 1039580205 /nfs/dbraw/zinc/58/02/05/1039580205.db2.gz HYDXNZRNSGDRAX-AZUAARDMSA-N 2 1 328.500 3.612 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512642389 1040382330 /nfs/dbraw/zinc/38/23/30/1040382330.db2.gz PEQZBZWGCAXEIH-DNVJHFABSA-N 2 1 345.490 3.949 20 30 EHEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(C#N)s1 ZINC000153585620 1128474962 /nfs/dbraw/zinc/47/49/62/1128474962.db2.gz JYFNUVIVGOHBEY-HZPDHXFCSA-N 2 1 339.508 3.866 20 30 EHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000925415729 1120904635 /nfs/dbraw/zinc/90/46/35/1120904635.db2.gz TYEPMYMKXLKABX-HXUWFJFHSA-N 2 1 343.515 3.968 20 30 EHEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000311120751 1128982162 /nfs/dbraw/zinc/98/21/62/1128982162.db2.gz HBIDSQLNGJEBEX-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000311120751 1128982166 /nfs/dbraw/zinc/98/21/66/1128982166.db2.gz HBIDSQLNGJEBEX-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000311120751 1128982170 /nfs/dbraw/zinc/98/21/70/1128982170.db2.gz HBIDSQLNGJEBEX-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP N#CCOc1ccc(Cl)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000735309785 1131333985 /nfs/dbraw/zinc/33/39/85/1131333985.db2.gz UDWDSFQUAAYLCC-UHFFFAOYSA-N 2 1 347.890 3.550 20 30 EHEDMP CC(C)OCC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172446073 1131744848 /nfs/dbraw/zinc/74/48/48/1131744848.db2.gz VWMMJPYPTMPMGF-YYWHXJBOSA-N 2 1 343.515 3.834 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000815652661 1136626692 /nfs/dbraw/zinc/62/66/92/1136626692.db2.gz MAQLRPBXGNGIAW-GOSISDBHSA-N 2 1 336.479 3.968 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000815652661 1136626695 /nfs/dbraw/zinc/62/66/95/1136626695.db2.gz MAQLRPBXGNGIAW-GOSISDBHSA-N 2 1 336.479 3.968 20 30 EHEDMP C=CCCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856607175 1136799059 /nfs/dbraw/zinc/79/90/59/1136799059.db2.gz XLWJDZJSDNERBQ-HXUWFJFHSA-N 2 1 331.504 3.731 20 30 EHEDMP C=CCCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856607175 1136799060 /nfs/dbraw/zinc/79/90/60/1136799060.db2.gz XLWJDZJSDNERBQ-HXUWFJFHSA-N 2 1 331.504 3.731 20 30 EHEDMP C=CCCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856607175 1136799061 /nfs/dbraw/zinc/79/90/61/1136799061.db2.gz XLWJDZJSDNERBQ-HXUWFJFHSA-N 2 1 331.504 3.731 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171179317 1137290728 /nfs/dbraw/zinc/29/07/28/1137290728.db2.gz RINGHIFXGGNKOR-GCJKJVERSA-N 2 1 333.479 3.601 20 30 EHEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001144568717 1137311297 /nfs/dbraw/zinc/31/12/97/1137311297.db2.gz CQVZJBAGHLVNCH-ZRZAMGCNSA-N 2 1 330.475 3.540 20 30 EHEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001144568717 1137311299 /nfs/dbraw/zinc/31/12/99/1137311299.db2.gz CQVZJBAGHLVNCH-ZRZAMGCNSA-N 2 1 330.475 3.540 20 30 EHEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001144568717 1137311301 /nfs/dbraw/zinc/31/13/01/1137311301.db2.gz CQVZJBAGHLVNCH-ZRZAMGCNSA-N 2 1 330.475 3.540 20 30 EHEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001144568717 1137311303 /nfs/dbraw/zinc/31/13/03/1137311303.db2.gz CQVZJBAGHLVNCH-ZRZAMGCNSA-N 2 1 330.475 3.540 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222348 1137348856 /nfs/dbraw/zinc/34/88/56/1137348856.db2.gz GBIMPJKYVJLKKQ-WMZHIEFXSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171222348 1137348858 /nfs/dbraw/zinc/34/88/58/1137348858.db2.gz GBIMPJKYVJLKKQ-WMZHIEFXSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171222348 1137348860 /nfs/dbraw/zinc/34/88/60/1137348860.db2.gz GBIMPJKYVJLKKQ-WMZHIEFXSA-N 2 1 347.506 3.943 20 30 EHEDMP C#CCCCCCC[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000877008033 1137667519 /nfs/dbraw/zinc/66/75/19/1137667519.db2.gz DTAMLMIVKJNXFS-UHFFFAOYSA-N 2 1 331.504 3.677 20 30 EHEDMP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223655 1032339759 /nfs/dbraw/zinc/33/97/59/1032339759.db2.gz GJDIVBWRFSZUJA-IDGBJLRDSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)C1 ZINC000549193831 1017591420 /nfs/dbraw/zinc/59/14/20/1017591420.db2.gz ASNUWEFUCZELLX-DBXWQHBBSA-N 2 1 338.499 3.698 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1F ZINC000398046444 1018960280 /nfs/dbraw/zinc/96/02/80/1018960280.db2.gz VWBDRCQMGFVZDP-HRAATJIYSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000398046444 1018960294 /nfs/dbraw/zinc/96/02/94/1018960294.db2.gz VWBDRCQMGFVZDP-HRAATJIYSA-N 2 1 337.442 3.698 20 30 EHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000439077139 1023251641 /nfs/dbraw/zinc/25/16/41/1023251641.db2.gz KRIFNLOGEWLBIE-UTKZUKDTSA-N 2 1 328.500 3.742 20 30 EHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000439077139 1023251646 /nfs/dbraw/zinc/25/16/46/1023251646.db2.gz KRIFNLOGEWLBIE-UTKZUKDTSA-N 2 1 328.500 3.742 20 30 EHEDMP C#CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183101954 1024167720 /nfs/dbraw/zinc/16/77/20/1024167720.db2.gz YJRSDJFCHDHQJI-AZUAARDMSA-N 2 1 340.511 3.831 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895378081 1024428098 /nfs/dbraw/zinc/42/80/98/1024428098.db2.gz PNHPKKJIBGIDTH-HLIPFELVSA-N 2 1 329.488 3.530 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280953356 1024482075 /nfs/dbraw/zinc/48/20/75/1024482075.db2.gz XSSVNNGNAGAEPE-YXIAPDDASA-N 2 1 340.511 3.753 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895685664 1024736793 /nfs/dbraw/zinc/73/67/93/1024736793.db2.gz MSYZZCNNVHFVQD-SFHVURJKSA-N 2 1 329.488 3.675 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602951561 1033276853 /nfs/dbraw/zinc/27/68/53/1033276853.db2.gz QXGVCBFPYPGZRJ-UHFFFAOYSA-N 2 1 325.500 3.938 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000611586677 1025900140 /nfs/dbraw/zinc/90/01/40/1025900140.db2.gz GTUNYTZDEZURHI-YTFSRNRJSA-N 2 1 345.490 3.949 20 30 EHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453156 1026307196 /nfs/dbraw/zinc/30/71/96/1026307196.db2.gz WMVNBTBSZAFPCL-IBGZPJMESA-N 2 1 339.508 3.882 20 30 EHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453156 1026307208 /nfs/dbraw/zinc/30/72/08/1026307208.db2.gz WMVNBTBSZAFPCL-IBGZPJMESA-N 2 1 339.508 3.882 20 30 EHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453156 1026307219 /nfs/dbraw/zinc/30/72/19/1026307219.db2.gz WMVNBTBSZAFPCL-IBGZPJMESA-N 2 1 339.508 3.882 20 30 EHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453156 1026307232 /nfs/dbraw/zinc/30/72/32/1026307232.db2.gz WMVNBTBSZAFPCL-IBGZPJMESA-N 2 1 339.508 3.882 20 30 EHEDMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421354096 1028299305 /nfs/dbraw/zinc/29/93/05/1028299305.db2.gz VITMZEYLGQAVOL-MRXNPFEDSA-N 2 1 339.508 3.805 20 30 EHEDMP N#CCSCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247942628 1028831070 /nfs/dbraw/zinc/83/10/70/1028831070.db2.gz DEEXAXGBDXSLFF-WOJBJXKFSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247942628 1028831091 /nfs/dbraw/zinc/83/10/91/1028831091.db2.gz DEEXAXGBDXSLFF-WOJBJXKFSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247942628 1028831111 /nfs/dbraw/zinc/83/11/11/1028831111.db2.gz DEEXAXGBDXSLFF-WOJBJXKFSA-N 2 1 343.540 3.620 20 30 EHEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093693135 1030662584 /nfs/dbraw/zinc/66/25/84/1030662584.db2.gz HVCGOINHTMNJCF-LJQANCHMSA-N 2 1 329.488 3.533 20 30 EHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093693135 1030662591 /nfs/dbraw/zinc/66/25/91/1030662591.db2.gz HVCGOINHTMNJCF-LJQANCHMSA-N 2 1 329.488 3.533 20 30 EHEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594920907 1033547701 /nfs/dbraw/zinc/54/77/01/1033547701.db2.gz BUJORCAHKJSQKK-GOSISDBHSA-N 2 1 325.500 3.843 20 30 EHEDMP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595001840 1033627357 /nfs/dbraw/zinc/62/73/57/1033627357.db2.gz ZZLOXTPCUKOBSU-JOCHJYFZSA-N 2 1 345.490 3.950 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310110 1036354297 /nfs/dbraw/zinc/35/42/97/1036354297.db2.gz JWJBCHYMNIPAAR-AWEZNQCLSA-N 2 1 339.405 3.931 20 30 EHEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310110 1036354318 /nfs/dbraw/zinc/35/43/18/1036354318.db2.gz JWJBCHYMNIPAAR-AWEZNQCLSA-N 2 1 339.405 3.931 20 30 EHEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000590643874 1036987320 /nfs/dbraw/zinc/98/73/20/1036987320.db2.gz HIIYCAWNMCEBEP-QNGMFEMESA-N 2 1 325.500 3.961 20 30 EHEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000590643872 1036989101 /nfs/dbraw/zinc/98/91/01/1036989101.db2.gz HIIYCAWNMCEBEP-MWXLCCTBSA-N 2 1 325.500 3.961 20 30 EHEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522942 1039198198 /nfs/dbraw/zinc/19/81/98/1039198198.db2.gz WBNNYUYDYFHUKA-BDHVOXNPSA-N 2 1 337.511 3.959 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1C#N ZINC000486677339 1040342725 /nfs/dbraw/zinc/34/27/25/1040342725.db2.gz PIQGBFAZOWHQNH-FQEVSTJZSA-N 2 1 325.500 3.811 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1C#N ZINC000486677339 1040342735 /nfs/dbraw/zinc/34/27/35/1040342735.db2.gz PIQGBFAZOWHQNH-FQEVSTJZSA-N 2 1 325.500 3.811 20 30 EHEDMP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491060189 1040897796 /nfs/dbraw/zinc/89/77/96/1040897796.db2.gz VSWYPRBTZYQCIO-FQEVSTJZSA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491060189 1040897810 /nfs/dbraw/zinc/89/78/10/1040897810.db2.gz VSWYPRBTZYQCIO-FQEVSTJZSA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491060191 1040898766 /nfs/dbraw/zinc/89/87/66/1040898766.db2.gz VSWYPRBTZYQCIO-HXUWFJFHSA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491060191 1040898773 /nfs/dbraw/zinc/89/87/73/1040898773.db2.gz VSWYPRBTZYQCIO-HXUWFJFHSA-N 2 1 341.499 3.525 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168275860 1043478360 /nfs/dbraw/zinc/47/83/60/1043478360.db2.gz BHBKMTDFWFEVRQ-UHFFFAOYSA-N 2 1 328.378 3.557 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000152992463 1125413724 /nfs/dbraw/zinc/41/37/24/1125413724.db2.gz ZYOKPPFWYXGPHX-GHTZIAJQSA-N 2 1 333.564 3.660 20 30 EHEDMP C[NH+]1CCC2(CC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)CC1 ZINC001170395178 1134763090 /nfs/dbraw/zinc/76/30/90/1134763090.db2.gz HWLZIJDXALADRF-UHFFFAOYSA-N 2 1 337.511 3.808 20 30 EHEDMP CC[N@@H+](C)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170399194 1134765479 /nfs/dbraw/zinc/76/54/79/1134765479.db2.gz ZGGASXQWYJDDGQ-UHFFFAOYSA-N 2 1 325.500 3.807 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001171213204 1137335115 /nfs/dbraw/zinc/33/51/15/1137335115.db2.gz WYPFZXIYZGJJBY-GOSISDBHSA-N 2 1 337.511 3.830 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001171213204 1137335117 /nfs/dbraw/zinc/33/51/17/1137335117.db2.gz WYPFZXIYZGJJBY-GOSISDBHSA-N 2 1 337.511 3.830 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1 ZINC001171327064 1137420681 /nfs/dbraw/zinc/42/06/81/1137420681.db2.gz IISVWAAVJNYORZ-NRFANRHFSA-N 2 1 332.451 3.807 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1 ZINC001171398368 1137471191 /nfs/dbraw/zinc/47/11/91/1137471191.db2.gz TZTYCVBCWWSOAU-WOJBJXKFSA-N 2 1 349.478 3.867 20 30 EHEDMP C=CC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525569 /nfs/dbraw/zinc/52/55/69/1137525569.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525571 /nfs/dbraw/zinc/52/55/71/1137525571.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525573 /nfs/dbraw/zinc/52/55/73/1137525573.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525575 /nfs/dbraw/zinc/52/55/75/1137525575.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976306 1137525576 /nfs/dbraw/zinc/52/55/76/1137525576.db2.gz QZTZBXHFECYGPA-SFTDATJTSA-N 2 1 341.543 3.670 20 30 EHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001172124651 1137534797 /nfs/dbraw/zinc/53/47/97/1137534797.db2.gz MVHKGQZGMTVQTJ-KOUNCHBCSA-N 2 1 337.511 3.828 20 30 EHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Cc3ccc(C#N)cc3)CC1)C2 ZINC001172124651 1137534798 /nfs/dbraw/zinc/53/47/98/1137534798.db2.gz MVHKGQZGMTVQTJ-KOUNCHBCSA-N 2 1 337.511 3.828 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304500 1137545394 /nfs/dbraw/zinc/54/53/94/1137545394.db2.gz MKSCRZIRNDNCLD-NQSCKRDGSA-N 2 1 348.494 3.656 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1C#N ZINC000174276893 1139410630 /nfs/dbraw/zinc/41/06/30/1139410630.db2.gz ALMJPJFELCTXAB-UHFFFAOYSA-N 2 1 349.478 3.630 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000176958895 1139589696 /nfs/dbraw/zinc/58/96/96/1139589696.db2.gz GEMGLDVKTCCVKY-AWEZNQCLSA-N 2 1 331.510 3.683 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000176958895 1139589699 /nfs/dbraw/zinc/58/96/99/1139589699.db2.gz GEMGLDVKTCCVKY-AWEZNQCLSA-N 2 1 331.510 3.683 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000266177077 1140651223 /nfs/dbraw/zinc/65/12/23/1140651223.db2.gz DYTRQWROINOAOV-HDICACEKSA-N 2 1 343.515 3.715 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602484531 1032914075 /nfs/dbraw/zinc/91/40/75/1032914075.db2.gz NZTFCCWFOQSEDF-LJQANCHMSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483896 1032914594 /nfs/dbraw/zinc/91/45/94/1032914594.db2.gz JUCDDDSJBBZXEH-HMXCVIKNSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000602483896 1032914606 /nfs/dbraw/zinc/91/46/06/1032914606.db2.gz JUCDDDSJBBZXEH-HMXCVIKNSA-N 2 1 325.500 3.913 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccco1 ZINC000276402981 1021196793 /nfs/dbraw/zinc/19/67/93/1021196793.db2.gz DOBCTNBFZAXJIQ-GOSISDBHSA-N 2 1 340.471 3.952 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)CC1 ZINC000550142631 1022579525 /nfs/dbraw/zinc/57/95/25/1022579525.db2.gz ABGVOYOWJPLWCT-IEBWSBKVSA-N 2 1 336.520 3.519 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000421352836 1028298439 /nfs/dbraw/zinc/29/84/39/1028298439.db2.gz DOQPYRPOQOJMGC-QFBILLFUSA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000421352836 1028298457 /nfs/dbraw/zinc/29/84/57/1028298457.db2.gz DOQPYRPOQOJMGC-QFBILLFUSA-N 2 1 343.471 3.932 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000594944283 1033590843 /nfs/dbraw/zinc/59/08/43/1033590843.db2.gz SNAJBLJFYYKWFS-IEBWSBKVSA-N 2 1 337.511 3.984 20 30 EHEDMP CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000598991711 1033645686 /nfs/dbraw/zinc/64/56/86/1033645686.db2.gz CGMIHERTIDNNST-FQEVSTJZSA-N 2 1 325.500 3.984 20 30 EHEDMP CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000598991711 1033645694 /nfs/dbraw/zinc/64/56/94/1033645694.db2.gz CGMIHERTIDNNST-FQEVSTJZSA-N 2 1 325.500 3.984 20 30 EHEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967261 1034585982 /nfs/dbraw/zinc/58/59/82/1034585982.db2.gz PNBYZTLMRSMCAP-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967261 1034585986 /nfs/dbraw/zinc/58/59/86/1034585986.db2.gz PNBYZTLMRSMCAP-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967261 1034585989 /nfs/dbraw/zinc/58/59/89/1034585989.db2.gz PNBYZTLMRSMCAP-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000385967261 1034585994 /nfs/dbraw/zinc/58/59/94/1034585994.db2.gz PNBYZTLMRSMCAP-VXKWHMMOSA-N 2 1 331.463 3.512 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006828 1036607197 /nfs/dbraw/zinc/60/71/97/1036607197.db2.gz YYHYOZLYZZDPCJ-AVRDEDQJSA-N 2 1 333.479 3.753 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272148259 1037102285 /nfs/dbraw/zinc/10/22/85/1037102285.db2.gz CQLNCIWUSFERCE-UZLBHIALSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148259 1037102293 /nfs/dbraw/zinc/10/22/93/1037102293.db2.gz CQLNCIWUSFERCE-UZLBHIALSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237510671 1039377222 /nfs/dbraw/zinc/37/72/22/1039377222.db2.gz RKOBLVKVOBPCBU-CEXWTWQISA-N 2 1 343.515 3.825 20 30 EHEDMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919113 1040936855 /nfs/dbraw/zinc/93/68/55/1040936855.db2.gz HABLAYZWTIPTRK-SFHVURJKSA-N 2 1 337.467 3.762 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000728907229 1044431696 /nfs/dbraw/zinc/43/16/96/1044431696.db2.gz QZWIQVTXTOHQSO-UHFFFAOYSA-N 2 1 344.528 3.546 20 30 EHEDMP CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000247248367 1124600116 /nfs/dbraw/zinc/60/01/16/1124600116.db2.gz UICNZNPTLOFKKG-YJBOKZPZSA-N 2 1 338.417 3.719 20 30 EHEDMP C[NH+](C/C=C\C[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000255895765 1129221225 /nfs/dbraw/zinc/22/12/25/1129221225.db2.gz DQGPUXHGPSDFHN-ARJAWSKDSA-N 2 1 344.462 3.550 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000246065941 1130339751 /nfs/dbraw/zinc/33/97/51/1130339751.db2.gz XFSXTWYARVFEQV-IGOJGBNBSA-N 2 1 339.508 3.866 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000246065941 1130339757 /nfs/dbraw/zinc/33/97/57/1130339757.db2.gz XFSXTWYARVFEQV-IGOJGBNBSA-N 2 1 339.508 3.866 20 30 EHEDMP CCSC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173300103 1132032451 /nfs/dbraw/zinc/03/24/51/1132032451.db2.gz YOIUROITMMKTKW-ATZDWAIDSA-N 2 1 331.529 3.772 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594466 1132099711 /nfs/dbraw/zinc/09/97/11/1132099711.db2.gz DTYXCFNDKRWZIX-XNGIKWSVSA-N 2 1 344.528 3.512 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173601427 1132101585 /nfs/dbraw/zinc/10/15/85/1132101585.db2.gz SYJNKYSXGUYCJC-JTVPBKEVSA-N 2 1 337.511 3.913 20 30 EHEDMP CC1(C#N)CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173601427 1132101587 /nfs/dbraw/zinc/10/15/87/1132101587.db2.gz SYJNKYSXGUYCJC-JTVPBKEVSA-N 2 1 337.511 3.913 20 30 EHEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000886549432 1138094684 /nfs/dbraw/zinc/09/46/84/1138094684.db2.gz IBOFKYLVRCGQDM-JBACZVJFSA-N 2 1 349.453 3.840 20 30 EHEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886549432 1138094687 /nfs/dbraw/zinc/09/46/87/1138094687.db2.gz IBOFKYLVRCGQDM-JBACZVJFSA-N 2 1 349.453 3.840 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337134479 1138475033 /nfs/dbraw/zinc/47/50/33/1138475033.db2.gz LTHZCLJKVRGSPN-UHFFFAOYSA-N 2 1 335.536 3.531 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681895 1139924283 /nfs/dbraw/zinc/92/42/83/1139924283.db2.gz JMMOFUKJOLXCPA-RXVVDRJESA-N 2 1 333.479 3.773 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180490266 1015960327 /nfs/dbraw/zinc/96/03/27/1015960327.db2.gz FSIBTLASGMVZFJ-SFHVURJKSA-N 2 1 337.511 3.964 20 30 EHEDMP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223653 1032340913 /nfs/dbraw/zinc/34/09/13/1032340913.db2.gz GJDIVBWRFSZUJA-GJHJYOIJSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000728712077 1018361004 /nfs/dbraw/zinc/36/10/04/1018361004.db2.gz XWGYJRHGIVTSFA-QZTJIDSGSA-N 2 1 329.488 3.722 20 30 EHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602592041 1032990867 /nfs/dbraw/zinc/99/08/67/1032990867.db2.gz GXXLHFQQDIIENC-GOSISDBHSA-N 2 1 343.515 3.715 20 30 EHEDMP N#CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000602608281 1033023801 /nfs/dbraw/zinc/02/38/01/1033023801.db2.gz LSOOBGWAHOCVQD-KPUASWNJSA-N 2 1 337.511 3.959 20 30 EHEDMP N#Cc1c(F)cccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000428300483 1025393286 /nfs/dbraw/zinc/39/32/86/1025393286.db2.gz MMSXKGQIJUYCHS-UHFFFAOYSA-N 2 1 329.463 3.785 20 30 EHEDMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000192920791 1026640908 /nfs/dbraw/zinc/64/09/08/1026640908.db2.gz MSWCHJTVXMCAPN-SFHVURJKSA-N 2 1 349.478 3.904 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000153039415 1026918838 /nfs/dbraw/zinc/91/88/38/1026918838.db2.gz SYQJUAVLDKXBQG-WIYYLYMNSA-N 2 1 333.564 3.660 20 30 EHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152209 1029363021 /nfs/dbraw/zinc/36/30/21/1029363021.db2.gz AERBCPIYSZUXNQ-WMQCIHAUSA-N 2 1 343.515 3.736 20 30 EHEDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000447514201 1030259277 /nfs/dbraw/zinc/25/92/77/1030259277.db2.gz BXWZDNINBLXFMU-JOCHJYFZSA-N 2 1 349.478 3.631 20 30 EHEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742111 1030669761 /nfs/dbraw/zinc/66/97/61/1030669761.db2.gz GOXSMSFWKBTXMM-IBGZPJMESA-N 2 1 329.488 3.533 20 30 EHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742111 1030669773 /nfs/dbraw/zinc/66/97/73/1030669773.db2.gz GOXSMSFWKBTXMM-IBGZPJMESA-N 2 1 329.488 3.533 20 30 EHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742111 1030669782 /nfs/dbraw/zinc/66/97/82/1030669782.db2.gz GOXSMSFWKBTXMM-IBGZPJMESA-N 2 1 329.488 3.533 20 30 EHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742111 1030669794 /nfs/dbraw/zinc/66/97/94/1030669794.db2.gz GOXSMSFWKBTXMM-IBGZPJMESA-N 2 1 329.488 3.533 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000595055484 1033632437 /nfs/dbraw/zinc/63/24/37/1033632437.db2.gz FRJVCLQXKQFKNL-WBDAEOGXSA-N 2 1 345.490 3.886 20 30 EHEDMP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599304096 1033854127 /nfs/dbraw/zinc/85/41/27/1033854127.db2.gz WIRMPVFUFXDIGL-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000599304096 1033854150 /nfs/dbraw/zinc/85/41/50/1033854150.db2.gz WIRMPVFUFXDIGL-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000599304096 1033854163 /nfs/dbraw/zinc/85/41/63/1033854163.db2.gz WIRMPVFUFXDIGL-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000599304096 1033854177 /nfs/dbraw/zinc/85/41/77/1033854177.db2.gz WIRMPVFUFXDIGL-NRFANRHFSA-N 2 1 333.479 3.821 20 30 EHEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)cs1 ZINC000192853772 1036557953 /nfs/dbraw/zinc/55/79/53/1036557953.db2.gz YGWSSHYYEJUPAF-IAGOWNOFSA-N 2 1 346.544 3.589 20 30 EHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573247688 1037428917 /nfs/dbraw/zinc/42/89/17/1037428917.db2.gz FULNDJDKOOKXPO-AQNXPRMDSA-N 2 1 326.484 3.507 20 30 EHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573247688 1037428928 /nfs/dbraw/zinc/42/89/28/1037428928.db2.gz FULNDJDKOOKXPO-AQNXPRMDSA-N 2 1 326.484 3.507 20 30 EHEDMP N#Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000045806929 1037431388 /nfs/dbraw/zinc/43/13/88/1037431388.db2.gz QEBVSPFWAQYQQA-UHFFFAOYSA-N 2 1 329.463 3.785 20 30 EHEDMP CC(C)(C#N)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353534 1039796258 /nfs/dbraw/zinc/79/62/58/1039796258.db2.gz HSRIGYJUZDPKNW-PMACEKPBSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353534 1039796274 /nfs/dbraw/zinc/79/62/74/1039796274.db2.gz HSRIGYJUZDPKNW-PMACEKPBSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310353534 1039796292 /nfs/dbraw/zinc/79/62/92/1039796292.db2.gz HSRIGYJUZDPKNW-PMACEKPBSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310353536 1039797489 /nfs/dbraw/zinc/79/74/89/1039797489.db2.gz HSRIGYJUZDPKNW-VQTJNVASSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310353536 1039797508 /nfs/dbraw/zinc/79/75/08/1039797508.db2.gz HSRIGYJUZDPKNW-VQTJNVASSA-N 2 1 325.500 3.770 20 30 EHEDMP CC(C)(C#N)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310353536 1039797531 /nfs/dbraw/zinc/79/75/31/1039797531.db2.gz HSRIGYJUZDPKNW-VQTJNVASSA-N 2 1 325.500 3.770 20 30 EHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279032193 1043223192 /nfs/dbraw/zinc/22/31/92/1043223192.db2.gz WHANXEWVVIBHLV-JKSUJKDBSA-N 2 1 345.874 3.928 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136396771 1123693185 /nfs/dbraw/zinc/69/31/85/1123693185.db2.gz RZDSRULKRPFVIT-SIKLNZKXSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000136396771 1123693187 /nfs/dbraw/zinc/69/31/87/1123693187.db2.gz RZDSRULKRPFVIT-SIKLNZKXSA-N 2 1 341.543 3.527 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099828 1125443612 /nfs/dbraw/zinc/44/36/12/1125443612.db2.gz XLQHXDUPSSAELN-ZHALLVOQSA-N 2 1 341.499 3.720 20 30 EHEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000733610834 1131061454 /nfs/dbraw/zinc/06/14/54/1131061454.db2.gz ZBHJYYUMEQEKLI-HXUWFJFHSA-N 2 1 341.499 3.533 20 30 EHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000733610834 1131061459 /nfs/dbraw/zinc/06/14/59/1131061459.db2.gz ZBHJYYUMEQEKLI-HXUWFJFHSA-N 2 1 341.499 3.533 20 30 EHEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337837 1132053357 /nfs/dbraw/zinc/05/33/57/1132053357.db2.gz UEXAOGHMMFUNOT-CKHPTIKVSA-N 2 1 325.500 3.913 20 30 EHEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337837 1132053360 /nfs/dbraw/zinc/05/33/60/1132053360.db2.gz UEXAOGHMMFUNOT-CKHPTIKVSA-N 2 1 325.500 3.913 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000774128672 1133619168 /nfs/dbraw/zinc/61/91/68/1133619168.db2.gz CIDFHKRHVSGFMN-KOUNCHBCSA-N 2 1 331.463 3.843 20 30 EHEDMP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197746 1134713456 /nfs/dbraw/zinc/71/34/56/1134713456.db2.gz YCOGPJJRKGELFO-XSDIEEQYSA-N 2 1 341.499 3.588 20 30 EHEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578375 1137310602 /nfs/dbraw/zinc/31/06/02/1137310602.db2.gz BUXNDXUDAQNNLD-XZOQPEGZSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578375 1137310604 /nfs/dbraw/zinc/31/06/04/1137310604.db2.gz BUXNDXUDAQNNLD-XZOQPEGZSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578375 1137310605 /nfs/dbraw/zinc/31/06/05/1137310605.db2.gz BUXNDXUDAQNNLD-XZOQPEGZSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578375 1137310607 /nfs/dbraw/zinc/31/06/07/1137310607.db2.gz BUXNDXUDAQNNLD-XZOQPEGZSA-N 2 1 330.475 3.622 20 30 EHEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000866709747 1137375060 /nfs/dbraw/zinc/37/50/60/1137375060.db2.gz ZSMLVPXZJNWHGZ-KRWDZBQOSA-N 2 1 339.405 3.774 20 30 EHEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000866709747 1137375062 /nfs/dbraw/zinc/37/50/62/1137375062.db2.gz ZSMLVPXZJNWHGZ-KRWDZBQOSA-N 2 1 339.405 3.774 20 30 EHEDMP C=CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525126 /nfs/dbraw/zinc/52/51/26/1137525126.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525127 /nfs/dbraw/zinc/52/51/27/1137525127.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525128 /nfs/dbraw/zinc/52/51/28/1137525128.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525129 /nfs/dbraw/zinc/52/51/29/1137525129.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 2 1 341.543 3.670 20 30 EHEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976305 1137525130 /nfs/dbraw/zinc/52/51/30/1137525130.db2.gz QZTZBXHFECYGPA-RTWAWAEBSA-N 2 1 341.543 3.670 20 30 EHEDMP N#Cc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172068349 1137534309 /nfs/dbraw/zinc/53/43/09/1137534309.db2.gz VNABQGQXIZTYFM-DKUWSORSSA-N 2 1 346.478 3.629 20 30 EHEDMP N#Cc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172068349 1137534310 /nfs/dbraw/zinc/53/43/10/1137534310.db2.gz VNABQGQXIZTYFM-DKUWSORSSA-N 2 1 346.478 3.629 20 30 EHEDMP C[NH+](C/C=C/C[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000052580719 1138046035 /nfs/dbraw/zinc/04/60/35/1138046035.db2.gz DQGPUXHGPSDFHN-ONEGZZNKSA-N 2 1 344.462 3.550 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886605092 1138100939 /nfs/dbraw/zinc/10/09/39/1138100939.db2.gz JKWNIWDTYNXRAF-CUUWFGFTSA-N 2 1 340.511 3.610 20 30 EHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681932 1139924319 /nfs/dbraw/zinc/92/43/19/1139924319.db2.gz JMMOFUKJOLXCPA-GHTZIAJQSA-N 2 1 333.479 3.773 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000349001750 1141620713 /nfs/dbraw/zinc/62/07/13/1141620713.db2.gz HTKXAJZJWVZCJX-UHFFFAOYSA-N 2 1 337.467 3.651 20 30 EHEDMP C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819249 1015429971 /nfs/dbraw/zinc/42/99/71/1015429971.db2.gz BIDOGDPMALNOLV-PZJWPPBQSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819249 1015429976 /nfs/dbraw/zinc/42/99/76/1015429976.db2.gz BIDOGDPMALNOLV-PZJWPPBQSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819249 1015429980 /nfs/dbraw/zinc/42/99/80/1015429980.db2.gz BIDOGDPMALNOLV-PZJWPPBQSA-N 2 1 341.543 3.527 20 30 EHEDMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000449073154 1032159265 /nfs/dbraw/zinc/15/92/65/1032159265.db2.gz HRYZDWAITADZFJ-GOSISDBHSA-N 2 1 333.479 3.743 20 30 EHEDMP COc1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000379636022 1019002937 /nfs/dbraw/zinc/00/29/37/1019002937.db2.gz WWBOSAOYBLMNOD-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP COc1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000379636022 1019002954 /nfs/dbraw/zinc/00/29/54/1019002954.db2.gz WWBOSAOYBLMNOD-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602534612 1032966871 /nfs/dbraw/zinc/96/68/71/1032966871.db2.gz KKOQVOJOLFSPBU-GOSISDBHSA-N 2 1 343.515 3.715 20 30 EHEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000602532085 1032964840 /nfs/dbraw/zinc/96/48/40/1032964840.db2.gz JQWUOTDZDWLUSI-UHFFFAOYSA-N 2 1 334.467 3.619 20 30 EHEDMP N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000439460736 1021446527 /nfs/dbraw/zinc/44/65/27/1021446527.db2.gz YICXPCLZZNPYRL-LPHOPBHVSA-N 2 1 329.875 3.660 20 30 EHEDMP CC(CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982713 1033285272 /nfs/dbraw/zinc/28/52/72/1033285272.db2.gz XENCSWUWPUNHIX-UAFMIMERSA-N 2 1 330.520 3.651 20 30 EHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453157 1026306920 /nfs/dbraw/zinc/30/69/20/1026306920.db2.gz WMVNBTBSZAFPCL-LJQANCHMSA-N 2 1 339.508 3.882 20 30 EHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453157 1026306930 /nfs/dbraw/zinc/30/69/30/1026306930.db2.gz WMVNBTBSZAFPCL-LJQANCHMSA-N 2 1 339.508 3.882 20 30 EHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453157 1026306946 /nfs/dbraw/zinc/30/69/46/1026306946.db2.gz WMVNBTBSZAFPCL-LJQANCHMSA-N 2 1 339.508 3.882 20 30 EHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)s1 ZINC000582453157 1026306960 /nfs/dbraw/zinc/30/69/60/1026306960.db2.gz WMVNBTBSZAFPCL-LJQANCHMSA-N 2 1 339.508 3.882 20 30 EHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424323469 1028970890 /nfs/dbraw/zinc/97/08/90/1028970890.db2.gz JEFRZBUOYHQPPG-LXHROKJGSA-N 2 1 337.511 3.959 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COCc2ccccc2)C(C)C)CC1 ZINC000446823895 1029808788 /nfs/dbraw/zinc/80/87/88/1029808788.db2.gz BNXDKFSWKMENOR-NRFANRHFSA-N 2 1 330.516 3.858 20 30 EHEDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000447514202 1030259369 /nfs/dbraw/zinc/25/93/69/1030259369.db2.gz BXWZDNINBLXFMU-QFIPXVFZSA-N 2 1 349.478 3.631 20 30 EHEDMP N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563810 1030629311 /nfs/dbraw/zinc/62/93/11/1030629311.db2.gz VBKNJVCFVFZMRY-HXUWFJFHSA-N 2 1 341.499 3.819 20 30 EHEDMP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563810 1030629331 /nfs/dbraw/zinc/62/93/31/1030629331.db2.gz VBKNJVCFVFZMRY-HXUWFJFHSA-N 2 1 341.499 3.819 20 30 EHEDMP N#CC1(c2ccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000594914006 1033542319 /nfs/dbraw/zinc/54/23/19/1033542319.db2.gz AVGOZNLDFZUPAF-UHFFFAOYSA-N 2 1 345.490 3.780 20 30 EHEDMP N#CC1(c2ccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000594914006 1033542323 /nfs/dbraw/zinc/54/23/23/1033542323.db2.gz AVGOZNLDFZUPAF-UHFFFAOYSA-N 2 1 345.490 3.780 20 30 EHEDMP C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595091329 1033700642 /nfs/dbraw/zinc/70/06/42/1033700642.db2.gz PKDXHCJPCCAHBT-AZUAARDMSA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595091329 1033700658 /nfs/dbraw/zinc/70/06/58/1033700658.db2.gz PKDXHCJPCCAHBT-AZUAARDMSA-N 2 1 325.500 3.961 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095919 1033703113 /nfs/dbraw/zinc/70/31/13/1033703113.db2.gz TUZGWDHEKQTFLO-HKBOAZHASA-N 2 1 337.511 3.961 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603471 1036507023 /nfs/dbraw/zinc/50/70/23/1036507023.db2.gz OJORINWOZBTXOK-AEFFLSMTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603471 1036507035 /nfs/dbraw/zinc/50/70/35/1036507035.db2.gz OJORINWOZBTXOK-AEFFLSMTSA-N 2 1 330.903 3.934 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236901 /nfs/dbraw/zinc/23/69/01/1037236901.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236905 /nfs/dbraw/zinc/23/69/05/1037236905.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236916 /nfs/dbraw/zinc/23/69/16/1037236916.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 2 1 346.515 3.955 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236930 /nfs/dbraw/zinc/23/69/30/1037236930.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 2 1 346.515 3.955 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000157389056 1037501521 /nfs/dbraw/zinc/50/15/21/1037501521.db2.gz QBJPUEKVEZNVFM-KRWDZBQOSA-N 2 1 346.519 3.568 20 30 EHEDMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000540182271 1037666877 /nfs/dbraw/zinc/66/68/77/1037666877.db2.gz SGFBDXODMMWQOL-WQUXRXDGSA-N 2 1 341.499 3.568 20 30 EHEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCCCCC1 ZINC000092277824 1038265504 /nfs/dbraw/zinc/26/55/04/1038265504.db2.gz JRIKGVWRLDFWTC-INIZCTEOSA-N 2 1 348.560 3.587 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522941 1039196897 /nfs/dbraw/zinc/19/68/97/1039196897.db2.gz WBNNYUYDYFHUKA-AANPDWTMSA-N 2 1 337.511 3.959 20 30 EHEDMP C=C1CC[NH+](Cc2cc(C[NH+]3CCC(=C)CC3)cc(OC)c2)CC1 ZINC000432826375 1039471777 /nfs/dbraw/zinc/47/17/77/1039471777.db2.gz YSHCZWYEXOLNDI-UHFFFAOYSA-N 2 1 326.484 3.999 20 30 EHEDMP N#Cc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060923 1040896480 /nfs/dbraw/zinc/89/64/80/1040896480.db2.gz LOTQVODUYROQON-HXUWFJFHSA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060923 1040896489 /nfs/dbraw/zinc/89/64/89/1040896489.db2.gz LOTQVODUYROQON-HXUWFJFHSA-N 2 1 341.499 3.525 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905935 1042278378 /nfs/dbraw/zinc/27/83/78/1042278378.db2.gz VCKNNMJJSYTEKW-LJQANCHMSA-N 2 1 349.478 3.569 20 30 EHEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001167838177 1043047768 /nfs/dbraw/zinc/04/77/68/1043047768.db2.gz RFWITZHAAGMPHO-RXVVDRJESA-N 2 1 343.515 3.912 20 30 EHEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000367905184 1127412571 /nfs/dbraw/zinc/41/25/71/1127412571.db2.gz VYSZDTSTATUNBH-HSALFYBXSA-N 2 1 325.500 3.817 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000403980963 1128672806 /nfs/dbraw/zinc/67/28/06/1128672806.db2.gz ATZPCTAHLPPODR-JXFKEZNVSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763649 1128914437 /nfs/dbraw/zinc/91/44/37/1128914437.db2.gz FKZRAMJGUSZVBB-QAPCUYQASA-N 2 1 325.481 3.620 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000743400658 1131911705 /nfs/dbraw/zinc/91/17/05/1131911705.db2.gz TZEJFKCMIVXBBH-MRXNPFEDSA-N 2 1 344.528 3.546 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000743400658 1131911708 /nfs/dbraw/zinc/91/17/08/1131911708.db2.gz TZEJFKCMIVXBBH-MRXNPFEDSA-N 2 1 344.528 3.546 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000743400658 1131911715 /nfs/dbraw/zinc/91/17/15/1131911715.db2.gz TZEJFKCMIVXBBH-MRXNPFEDSA-N 2 1 344.528 3.546 20 30 EHEDMP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000743400658 1131911723 /nfs/dbraw/zinc/91/17/23/1131911723.db2.gz TZEJFKCMIVXBBH-MRXNPFEDSA-N 2 1 344.528 3.546 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000815652196 1136626496 /nfs/dbraw/zinc/62/64/96/1136626496.db2.gz TYTRPFQUCBVEAJ-OAHLLOKOSA-N 2 1 341.318 3.506 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000815652196 1136626500 /nfs/dbraw/zinc/62/65/00/1136626500.db2.gz TYTRPFQUCBVEAJ-OAHLLOKOSA-N 2 1 341.318 3.506 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652426 1136626656 /nfs/dbraw/zinc/62/66/56/1136626656.db2.gz BXLACXIUSDTGBP-MRXNPFEDSA-N 2 1 341.524 3.648 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652426 1136626658 /nfs/dbraw/zinc/62/66/58/1136626658.db2.gz BXLACXIUSDTGBP-MRXNPFEDSA-N 2 1 341.524 3.648 20 30 EHEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1OC ZINC000772945565 1137359804 /nfs/dbraw/zinc/35/98/04/1137359804.db2.gz HJCLJQSXGZSEBH-UHFFFAOYSA-N 2 1 346.515 3.785 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716730950 1137488511 /nfs/dbraw/zinc/48/85/11/1137488511.db2.gz IHSXBMMYEMPDSP-FKBYEOEOSA-N 2 1 331.463 3.701 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1Cc2ccccc2O1 ZINC000883227411 1137849514 /nfs/dbraw/zinc/84/95/14/1137849514.db2.gz QCQSLNDTPLSUJF-GYDKDSOHSA-N 2 1 326.484 3.540 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000886524802 1138090195 /nfs/dbraw/zinc/09/01/95/1138090195.db2.gz RDGJTSBADOUKFO-JBACZVJFSA-N 2 1 349.453 3.840 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(F)c1 ZINC000886524802 1138090197 /nfs/dbraw/zinc/09/01/97/1138090197.db2.gz RDGJTSBADOUKFO-JBACZVJFSA-N 2 1 349.453 3.840 20 30 EHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535977 1032966574 /nfs/dbraw/zinc/96/65/74/1032966574.db2.gz UIWKWMPMPSACMO-QUCCMNQESA-N 2 1 347.547 3.720 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccco1 ZINC000276511222 1021551596 /nfs/dbraw/zinc/55/15/96/1021551596.db2.gz ZHRWBMLISKIRCC-OTWHNJEPSA-N 2 1 332.488 3.644 20 30 EHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cc1F ZINC000507158810 1023154290 /nfs/dbraw/zinc/15/42/90/1023154290.db2.gz GBISZLQYAMXDGQ-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cc1F ZINC000507158810 1023154296 /nfs/dbraw/zinc/15/42/96/1023154296.db2.gz GBISZLQYAMXDGQ-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C#N)cs2)CC1)CC1CC1 ZINC000538858509 1024551194 /nfs/dbraw/zinc/55/11/94/1024551194.db2.gz ZSIJPGDGYGLWRK-UHFFFAOYSA-N 2 1 331.529 3.954 20 30 EHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000425533074 1025663337 /nfs/dbraw/zinc/66/33/37/1025663337.db2.gz KECOUHABZUOSTE-GOSISDBHSA-N 2 1 349.478 3.583 20 30 EHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424323467 1028971802 /nfs/dbraw/zinc/97/18/02/1028971802.db2.gz JEFRZBUOYHQPPG-LLVBAIKDSA-N 2 1 337.511 3.959 20 30 EHEDMP C[N@@H+](CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000594917809 1033543625 /nfs/dbraw/zinc/54/36/25/1033543625.db2.gz KOBSBQQGCFKGKM-UHFFFAOYSA-N 2 1 333.479 3.853 20 30 EHEDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000593646717 1033606066 /nfs/dbraw/zinc/60/60/66/1033606066.db2.gz PQFRFAVVZVIWSL-UHFFFAOYSA-N 2 1 327.394 3.645 20 30 EHEDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000593646717 1033606062 /nfs/dbraw/zinc/60/60/62/1033606062.db2.gz PQFRFAVVZVIWSL-UHFFFAOYSA-N 2 1 327.394 3.645 20 30 EHEDMP C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595091332 1033701916 /nfs/dbraw/zinc/70/19/16/1033701916.db2.gz PKDXHCJPCCAHBT-UYAOXDASSA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595091332 1033701930 /nfs/dbraw/zinc/70/19/30/1033701930.db2.gz PKDXHCJPCCAHBT-UYAOXDASSA-N 2 1 325.500 3.961 20 30 EHEDMP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596059587 1034056886 /nfs/dbraw/zinc/05/68/86/1034056886.db2.gz RLUQETPZYNQOQP-FQEVSTJZSA-N 2 1 341.499 3.581 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CCC)CC2)ccc1OC ZINC000057959855 1034268868 /nfs/dbraw/zinc/26/88/68/1034268868.db2.gz ZGZKKJQGLXFAKD-UHFFFAOYSA-N 2 1 332.488 3.614 20 30 EHEDMP CC(C)(C#N)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291453563 1035498521 /nfs/dbraw/zinc/49/85/21/1035498521.db2.gz MINOWSSLCDFEIO-UHFFFAOYSA-N 2 1 325.500 3.914 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000540713200 1035619166 /nfs/dbraw/zinc/61/91/66/1035619166.db2.gz KIHKHCVBSATWRQ-UHFFFAOYSA-N 2 1 325.500 3.914 20 30 EHEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978750 1036151046 /nfs/dbraw/zinc/15/10/46/1036151046.db2.gz LQJDVLYVTODQIX-SFHVURJKSA-N 2 1 339.508 3.930 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000589350826 1036370103 /nfs/dbraw/zinc/37/01/03/1036370103.db2.gz HOIYFGUYJHHAAV-HKBOAZHASA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399006831 1036605933 /nfs/dbraw/zinc/60/59/33/1036605933.db2.gz YYHYOZLYZZDPCJ-XMSQKQJNSA-N 2 1 333.479 3.753 20 30 EHEDMP CC(C)(C#N)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568771 1036930798 /nfs/dbraw/zinc/93/07/98/1036930798.db2.gz FKAONWTYDAPSSH-UXHICEINSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568771 1036930817 /nfs/dbraw/zinc/93/08/17/1036930817.db2.gz FKAONWTYDAPSSH-UXHICEINSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000539568771 1036930828 /nfs/dbraw/zinc/93/08/28/1036930828.db2.gz FKAONWTYDAPSSH-UXHICEINSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000539568771 1036930852 /nfs/dbraw/zinc/93/08/52/1036930852.db2.gz FKAONWTYDAPSSH-UXHICEINSA-N 2 1 325.500 3.913 20 30 EHEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978599 1036977753 /nfs/dbraw/zinc/97/77/53/1036977753.db2.gz AQPVSHVOLVIEAI-HDICACEKSA-N 2 1 346.515 3.718 20 30 EHEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978599 1036977774 /nfs/dbraw/zinc/97/77/74/1036977774.db2.gz AQPVSHVOLVIEAI-HDICACEKSA-N 2 1 346.515 3.718 20 30 EHEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000591839145 1037646812 /nfs/dbraw/zinc/64/68/12/1037646812.db2.gz ZCIGZPBOUGJDDA-INIZCTEOSA-N 2 1 331.423 3.640 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000152012742 1043883032 /nfs/dbraw/zinc/88/30/32/1043883032.db2.gz STUYEABNNGLUTC-UHFFFAOYSA-N 2 1 344.890 3.860 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466305 1128827729 /nfs/dbraw/zinc/82/77/29/1128827729.db2.gz WEJXFFPUGALSEE-HKUYNNGSSA-N 2 1 325.481 3.792 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000252466305 1128827734 /nfs/dbraw/zinc/82/77/34/1128827734.db2.gz WEJXFFPUGALSEE-HKUYNNGSSA-N 2 1 325.481 3.792 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000733322546 1131024171 /nfs/dbraw/zinc/02/41/71/1131024171.db2.gz LSQIRSIZNFMQEM-UHFFFAOYSA-N 2 1 328.500 3.833 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000733322546 1131024177 /nfs/dbraw/zinc/02/41/77/1131024177.db2.gz LSQIRSIZNFMQEM-UHFFFAOYSA-N 2 1 328.500 3.833 20 30 EHEDMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172495603 1131758892 /nfs/dbraw/zinc/75/88/92/1131758892.db2.gz GLHUYIDTUKHWTL-MRXNPFEDSA-N 2 1 344.503 3.804 20 30 EHEDMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928076 1131908803 /nfs/dbraw/zinc/90/88/03/1131908803.db2.gz IQOSNZLXQBEPIN-TUFLPTIASA-N 2 1 341.499 3.588 20 30 EHEDMP N#CCC1CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173331289 1132048997 /nfs/dbraw/zinc/04/89/97/1132048997.db2.gz BISBAHVENKPWMI-SUVNUQANSA-N 2 1 326.488 3.626 20 30 EHEDMP N#CCC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173335972 1132051504 /nfs/dbraw/zinc/05/15/04/1132051504.db2.gz ITUMYHGJPSANJG-ZTOOSOLZSA-N 2 1 329.513 3.584 20 30 EHEDMP N#CCC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173335972 1132051512 /nfs/dbraw/zinc/05/15/12/1132051512.db2.gz ITUMYHGJPSANJG-ZTOOSOLZSA-N 2 1 329.513 3.584 20 30 EHEDMP N#CCC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173335972 1132051520 /nfs/dbraw/zinc/05/15/20/1132051520.db2.gz ITUMYHGJPSANJG-ZTOOSOLZSA-N 2 1 329.513 3.584 20 30 EHEDMP N#CCC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173335972 1132051524 /nfs/dbraw/zinc/05/15/24/1132051524.db2.gz ITUMYHGJPSANJG-ZTOOSOLZSA-N 2 1 329.513 3.584 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594464 1132099877 /nfs/dbraw/zinc/09/98/77/1132099877.db2.gz DTYXCFNDKRWZIX-SDDULXJBSA-N 2 1 344.528 3.512 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001169592040 1132791048 /nfs/dbraw/zinc/79/10/48/1132791048.db2.gz UEALYNUIBPXOOJ-OAQYLSRUSA-N 2 1 348.494 3.948 20 30 EHEDMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCC#N)CC(C)C)CC1 ZINC000768153652 1133102504 /nfs/dbraw/zinc/10/25/04/1133102504.db2.gz IEXPMEUQCLUZJY-UHFFFAOYSA-N 2 1 342.531 3.590 20 30 EHEDMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCC#N)CC(C)C)CC1 ZINC000768153652 1133102506 /nfs/dbraw/zinc/10/25/06/1133102506.db2.gz IEXPMEUQCLUZJY-UHFFFAOYSA-N 2 1 342.531 3.590 20 30 EHEDMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1C#N ZINC001179562928 1133258956 /nfs/dbraw/zinc/25/89/56/1133258956.db2.gz ZLJCZLPXFHQIRS-UHFFFAOYSA-N 2 1 333.479 3.663 20 30 EHEDMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195988 1134712186 /nfs/dbraw/zinc/71/21/86/1134712186.db2.gz QZQLLIKDYYNPHS-XRXFAXGQSA-N 2 1 341.499 3.588 20 30 EHEDMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387145 1134762106 /nfs/dbraw/zinc/76/21/06/1134762106.db2.gz RTPHYIUJBUZQAD-UHFFFAOYSA-N 2 1 325.500 3.664 20 30 EHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000067120606 1138079848 /nfs/dbraw/zinc/07/98/48/1138079848.db2.gz SRPHRLKSVPKTDF-IBGZPJMESA-N 2 1 342.531 3.781 20 30 EHEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000513507147 1019749258 /nfs/dbraw/zinc/74/92/58/1019749258.db2.gz TUPQQVWOJVHUDH-PGRDOPGGSA-N 2 1 333.479 3.949 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000247324648 1020525997 /nfs/dbraw/zinc/52/59/97/1020525997.db2.gz LTTCMBKOEGFOKA-GUYCJALGSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000247324648 1020526001 /nfs/dbraw/zinc/52/60/01/1020526001.db2.gz LTTCMBKOEGFOKA-GUYCJALGSA-N 2 1 331.510 3.854 20 30 EHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602534613 1032967426 /nfs/dbraw/zinc/96/74/26/1032967426.db2.gz KKOQVOJOLFSPBU-SFHVURJKSA-N 2 1 343.515 3.715 20 30 EHEDMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507580548 1021370269 /nfs/dbraw/zinc/37/02/69/1021370269.db2.gz OWSHFNNOWKLWMG-PELRDEGISA-N 2 1 325.500 3.712 20 30 EHEDMP N#C[C@@H]1CC[C@H]([NH+]2CCCC3(CCC[N@H+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784797 1022499873 /nfs/dbraw/zinc/49/98/73/1022499873.db2.gz OALGJEWVCXTEAF-AUGMSIGLSA-N 2 1 340.515 3.549 20 30 EHEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602716170 1033103102 /nfs/dbraw/zinc/10/31/02/1033103102.db2.gz ADXAGUNPGFIZIE-AZUAARDMSA-N 2 1 325.500 3.818 20 30 EHEDMP N#Cc1ccc(C[N@@H+](Cc2cc(-n3ccnc3)cs2)C2CC2)cc1 ZINC000346170766 1024484892 /nfs/dbraw/zinc/48/48/92/1024484892.db2.gz JSFABJDZBMOPMW-UHFFFAOYSA-N 2 1 334.448 3.970 20 30 EHEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837028 1025157003 /nfs/dbraw/zinc/15/70/03/1025157003.db2.gz BGHADJXUGPYNLD-RTWAWAEBSA-N 2 1 328.500 3.612 20 30 EHEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837028 1025157008 /nfs/dbraw/zinc/15/70/08/1025157008.db2.gz BGHADJXUGPYNLD-RTWAWAEBSA-N 2 1 328.500 3.612 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502284736 1028060468 /nfs/dbraw/zinc/06/04/68/1028060468.db2.gz HWGFFUBSNNCKMY-KRWDZBQOSA-N 2 1 346.515 3.573 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131829 1032044612 /nfs/dbraw/zinc/04/46/12/1032044612.db2.gz KUPMIQJIWXWPGZ-ICSRJNTNSA-N 2 1 349.478 3.762 20 30 EHEDMP C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000595334129 1033732478 /nfs/dbraw/zinc/73/24/78/1033732478.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 2 1 333.479 3.555 20 30 EHEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595334129 1033732492 /nfs/dbraw/zinc/73/24/92/1033732492.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 2 1 333.479 3.555 20 30 EHEDMP N#CC1(c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506629 /nfs/dbraw/zinc/50/66/29/1034506629.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506639 /nfs/dbraw/zinc/50/66/39/1034506639.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506647 /nfs/dbraw/zinc/50/66/47/1034506647.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 2 1 335.495 3.690 20 30 EHEDMP N#CCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997748 1036607495 /nfs/dbraw/zinc/60/74/95/1036607495.db2.gz QQECZSSPIGDBPY-XZOQPEGZSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997748 1036607501 /nfs/dbraw/zinc/60/75/01/1036607501.db2.gz QQECZSSPIGDBPY-XZOQPEGZSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000398997748 1036607510 /nfs/dbraw/zinc/60/75/10/1036607510.db2.gz QQECZSSPIGDBPY-XZOQPEGZSA-N 2 1 345.490 3.707 20 30 EHEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001167838679 1043045994 /nfs/dbraw/zinc/04/59/94/1043045994.db2.gz VWKXBKDSWSCNCD-ICSRJNTNSA-N 2 1 343.515 3.912 20 30 EHEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000764964302 1127560041 /nfs/dbraw/zinc/56/00/41/1127560041.db2.gz SCQWKTKOSGCLFU-MOPGFXCFSA-N 2 1 328.500 3.861 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939508 /nfs/dbraw/zinc/93/95/08/1123939508.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939510 /nfs/dbraw/zinc/93/95/10/1123939510.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939513 /nfs/dbraw/zinc/93/95/13/1123939513.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 2 1 346.515 3.812 20 30 EHEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000618805790 1125208036 /nfs/dbraw/zinc/20/80/36/1125208036.db2.gz PEYOJINZLHGXKU-HSZRJFAPSA-N 2 1 345.490 3.842 20 30 EHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000859213720 1137007818 /nfs/dbraw/zinc/00/78/18/1137007818.db2.gz AMSRMCZPPPAJMJ-UHFFFAOYSA-N 2 1 337.467 3.521 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001171176952 1137286807 /nfs/dbraw/zinc/28/68/07/1137286807.db2.gz YLNLAXOBROCQCX-SFHVURJKSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000865846935 1137316357 /nfs/dbraw/zinc/31/63/57/1137316357.db2.gz BGNXBTXQPQQXML-NLSFWIRASA-N 2 1 345.490 3.668 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000865846935 1137316358 /nfs/dbraw/zinc/31/63/58/1137316358.db2.gz BGNXBTXQPQQXML-NLSFWIRASA-N 2 1 345.490 3.668 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000865846934 1137316372 /nfs/dbraw/zinc/31/63/72/1137316372.db2.gz BGNXBTXQPQQXML-MQNAVGNWSA-N 2 1 345.490 3.668 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000865846934 1137316374 /nfs/dbraw/zinc/31/63/74/1137316374.db2.gz BGNXBTXQPQQXML-MQNAVGNWSA-N 2 1 345.490 3.668 20 30 EHEDMP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866618311 1137369780 /nfs/dbraw/zinc/36/97/80/1137369780.db2.gz YOOIOKSXMHJJAE-JWNTYJGQSA-N 2 1 345.490 3.526 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cc3ccc(C[NH3+])cc3n2)cc1 ZINC001171327066 1137420734 /nfs/dbraw/zinc/42/07/34/1137420734.db2.gz IISVWAAVJNYORZ-OAQYLSRUSA-N 2 1 332.451 3.807 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1F ZINC000716672069 1137488216 /nfs/dbraw/zinc/48/82/16/1137488216.db2.gz SNIOEIAVIRLVLS-TYPHKJRUSA-N 2 1 349.453 3.840 20 30 EHEDMP N#CCc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886629535 1138103791 /nfs/dbraw/zinc/10/37/91/1138103791.db2.gz HQEBFMJIGUXQBZ-ZRBLBEILSA-N 2 1 345.490 3.895 20 30 EHEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(OCC#N)cc3)CC2)C1 ZINC000180559772 1139846890 /nfs/dbraw/zinc/84/68/90/1139846890.db2.gz UMRNYRFAGMUUKT-YLJYHZDGSA-N 2 1 341.499 3.722 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182045520 1139947179 /nfs/dbraw/zinc/94/71/79/1139947179.db2.gz RIVKCDQJYUHJDI-ROUUACIJSA-N 2 1 329.488 3.608 20 30 EHEDMP C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000904577758 1032116331 /nfs/dbraw/zinc/11/63/31/1032116331.db2.gz ULOMALHMXNQJHR-KRWDZBQOSA-N 2 1 326.444 3.689 20 30 EHEDMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000459727770 1032432764 /nfs/dbraw/zinc/43/27/64/1032432764.db2.gz HJIJGEDDZQVTOU-KMFTYDHNSA-N 2 1 325.500 3.712 20 30 EHEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000601995607 1032586892 /nfs/dbraw/zinc/58/68/92/1032586892.db2.gz HDSZZWLVDPDHMM-UHFFFAOYSA-N 2 1 337.442 3.973 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC[C@@H](C#N)CCC#N)cc2)C1 ZINC000549193832 1017591976 /nfs/dbraw/zinc/59/19/76/1017591976.db2.gz ASNUWEFUCZELLX-LVCYWYKZSA-N 2 1 338.499 3.698 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)C1 ZINC000549193832 1017591988 /nfs/dbraw/zinc/59/19/88/1017591988.db2.gz ASNUWEFUCZELLX-LVCYWYKZSA-N 2 1 338.499 3.698 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)C1 ZINC000549193832 1017592002 /nfs/dbraw/zinc/59/20/02/1017592002.db2.gz ASNUWEFUCZELLX-LVCYWYKZSA-N 2 1 338.499 3.698 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167316190 1017949058 /nfs/dbraw/zinc/94/90/58/1017949058.db2.gz IYDITETXUZRMDR-FQEVSTJZSA-N 2 1 332.451 3.807 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398165805 1018986366 /nfs/dbraw/zinc/98/63/66/1018986366.db2.gz TWENGYZTYCAEQR-LAUBAEHRSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398165805 1018986370 /nfs/dbraw/zinc/98/63/70/1018986370.db2.gz TWENGYZTYCAEQR-LAUBAEHRSA-N 2 1 349.478 3.567 20 30 EHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784806 1022500108 /nfs/dbraw/zinc/50/01/08/1022500108.db2.gz OALGJEWVCXTEAF-SSSFQFABSA-N 2 1 340.515 3.549 20 30 EHEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784806 1022500119 /nfs/dbraw/zinc/50/01/19/1022500119.db2.gz OALGJEWVCXTEAF-SSSFQFABSA-N 2 1 340.515 3.549 20 30 EHEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784806 1022500129 /nfs/dbraw/zinc/50/01/29/1022500129.db2.gz OALGJEWVCXTEAF-SSSFQFABSA-N 2 1 340.515 3.549 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602659750 1033060382 /nfs/dbraw/zinc/06/03/82/1033060382.db2.gz WGMLZXASXCUCBP-UUKMXZOPSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602659750 1033060392 /nfs/dbraw/zinc/06/03/92/1033060392.db2.gz WGMLZXASXCUCBP-UUKMXZOPSA-N 2 1 325.500 3.959 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2cc(Br)cs2)CC1 ZINC000106245818 1024564087 /nfs/dbraw/zinc/56/40/87/1024564087.db2.gz AYGNKWLVOVKQQN-UHFFFAOYSA-N 2 1 329.307 3.641 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2cnc(-c3ccccc3)s2)CC1 ZINC000106244998 1024564442 /nfs/dbraw/zinc/56/44/42/1024564442.db2.gz TYSLRSFQTIYCOC-UHFFFAOYSA-N 2 1 327.497 3.940 20 30 EHEDMP C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740581 1024779317 /nfs/dbraw/zinc/77/93/17/1024779317.db2.gz WSKPPCUOLATHBN-QRVBRYPASA-N 2 1 343.515 3.667 20 30 EHEDMP C[C@H](CCC#N)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740581 1024779328 /nfs/dbraw/zinc/77/93/28/1024779328.db2.gz WSKPPCUOLATHBN-QRVBRYPASA-N 2 1 343.515 3.667 20 30 EHEDMP C[C@H](CCC#N)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740581 1024779335 /nfs/dbraw/zinc/77/93/35/1024779335.db2.gz WSKPPCUOLATHBN-QRVBRYPASA-N 2 1 343.515 3.667 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000153032580 1026926680 /nfs/dbraw/zinc/92/66/80/1026926680.db2.gz JWHNMLGROYNTCA-KRWDZBQOSA-N 2 1 341.499 3.505 20 30 EHEDMP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000262191021 1027973061 /nfs/dbraw/zinc/97/30/61/1027973061.db2.gz CGTSTZDGAMVPRD-GOSISDBHSA-N 2 1 340.471 3.850 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000237731088 1028057398 /nfs/dbraw/zinc/05/73/98/1028057398.db2.gz MDYVZFWEBJWTNY-UHFFFAOYSA-N 2 1 348.490 3.761 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000237731088 1028057415 /nfs/dbraw/zinc/05/74/15/1028057415.db2.gz MDYVZFWEBJWTNY-UHFFFAOYSA-N 2 1 348.490 3.761 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000421352834 1028297005 /nfs/dbraw/zinc/29/70/05/1028297005.db2.gz DOQPYRPOQOJMGC-APWZRJJASA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000421352834 1028297023 /nfs/dbraw/zinc/29/70/23/1028297023.db2.gz DOQPYRPOQOJMGC-APWZRJJASA-N 2 1 343.471 3.932 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COCc2ccccc2)C(C)C)CC1 ZINC000446823896 1029809276 /nfs/dbraw/zinc/80/92/76/1029809276.db2.gz BNXDKFSWKMENOR-OAQYLSRUSA-N 2 1 330.516 3.858 20 30 EHEDMP N#Cc1cccc(OCCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595509675 1033835589 /nfs/dbraw/zinc/83/55/89/1033835589.db2.gz HGHHHESTNAYSBI-UHFFFAOYSA-N 2 1 349.478 3.581 20 30 EHEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000356131666 1034732900 /nfs/dbraw/zinc/73/29/00/1034732900.db2.gz GHNIKYRYPTWZCV-BBRMVZONSA-N 2 1 339.405 3.882 20 30 EHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000356131666 1034732917 /nfs/dbraw/zinc/73/29/17/1034732917.db2.gz GHNIKYRYPTWZCV-BBRMVZONSA-N 2 1 339.405 3.882 20 30 EHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000356131666 1034732933 /nfs/dbraw/zinc/73/29/33/1034732933.db2.gz GHNIKYRYPTWZCV-BBRMVZONSA-N 2 1 339.405 3.882 20 30 EHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000356131666 1034732949 /nfs/dbraw/zinc/73/29/49/1034732949.db2.gz GHNIKYRYPTWZCV-BBRMVZONSA-N 2 1 339.405 3.882 20 30 EHEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[NH+]1CCCCC1 ZINC000580803234 1035460276 /nfs/dbraw/zinc/46/02/76/1035460276.db2.gz LUCLVSUGWNHJCZ-CQSZACIVSA-N 2 1 339.405 3.931 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192929799 1036565796 /nfs/dbraw/zinc/56/57/96/1036565796.db2.gz FQWQWNMCYKTBPE-WIYYLYMNSA-N 2 1 349.478 3.589 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463249695 1037951897 /nfs/dbraw/zinc/95/18/97/1037951897.db2.gz XBXFDPSTCZMZCO-GCJKJVERSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000463249695 1037951906 /nfs/dbraw/zinc/95/19/06/1037951906.db2.gz XBXFDPSTCZMZCO-GCJKJVERSA-N 2 1 333.479 3.743 20 30 EHEDMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266318 1039022280 /nfs/dbraw/zinc/02/22/80/1039022280.db2.gz SFCCRWUUHWCMIJ-PGRDOPGGSA-N 2 1 333.479 3.867 20 30 EHEDMP C=CCC1([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551121 1039578780 /nfs/dbraw/zinc/57/87/80/1039578780.db2.gz HYDXNZRNSGDRAX-QUCCMNQESA-N 2 1 328.500 3.612 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176171 1040377093 /nfs/dbraw/zinc/37/70/93/1040377093.db2.gz OKJDVJQWNUGGSD-NQIIRXRSSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176171 1040377106 /nfs/dbraw/zinc/37/71/06/1040377106.db2.gz OKJDVJQWNUGGSD-NQIIRXRSSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176171 1040377120 /nfs/dbraw/zinc/37/71/20/1040377120.db2.gz OKJDVJQWNUGGSD-NQIIRXRSSA-N 2 1 337.511 3.936 20 30 EHEDMP C=CCOCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132065 1040867185 /nfs/dbraw/zinc/86/71/85/1040867185.db2.gz WRJGMGKEMQPNGW-UHFFFAOYSA-N 2 1 328.500 3.567 20 30 EHEDMP CC1CC[NH+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236702738 1041465590 /nfs/dbraw/zinc/46/55/90/1041465590.db2.gz XYVSPNIULYKPJS-UHFFFAOYSA-N 2 1 329.488 3.581 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711095 1126990459 /nfs/dbraw/zinc/99/04/59/1126990459.db2.gz RNCYGRLHPYRTGG-WMZOPIPTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711095 1126990461 /nfs/dbraw/zinc/99/04/61/1126990461.db2.gz RNCYGRLHPYRTGG-WMZOPIPTSA-N 2 1 330.903 3.934 20 30 EHEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000367905187 1127412440 /nfs/dbraw/zinc/41/24/40/1127412440.db2.gz VYSZDTSTATUNBH-XUVXKRRUSA-N 2 1 325.500 3.817 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924616 1121263137 /nfs/dbraw/zinc/26/31/37/1121263137.db2.gz XZHLYCLCFLMYON-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924616 1121263139 /nfs/dbraw/zinc/26/31/39/1121263139.db2.gz XZHLYCLCFLMYON-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924616 1121263143 /nfs/dbraw/zinc/26/31/43/1121263143.db2.gz XZHLYCLCFLMYON-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924616 1121263147 /nfs/dbraw/zinc/26/31/47/1121263147.db2.gz XZHLYCLCFLMYON-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000917069705 1122475242 /nfs/dbraw/zinc/47/52/42/1122475242.db2.gz XWVGEIPPFFUYRP-UHFFFAOYSA-N 2 1 343.515 3.771 20 30 EHEDMP C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282419624 1129769900 /nfs/dbraw/zinc/76/99/00/1129769900.db2.gz SNYWGCDOGRVJFI-YXUAKONQSA-N 2 1 325.500 3.817 20 30 EHEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245952716 1130334245 /nfs/dbraw/zinc/33/42/45/1130334245.db2.gz CFTLICHITJUPQT-RTWAWAEBSA-N 2 1 331.463 3.942 20 30 EHEDMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928077 1131908962 /nfs/dbraw/zinc/90/89/62/1131908962.db2.gz IQOSNZLXQBEPIN-XRXFAXGQSA-N 2 1 341.499 3.588 20 30 EHEDMP C=CCOC1CCC([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325018 1132047049 /nfs/dbraw/zinc/04/70/49/1132047049.db2.gz XPJBCADCTKCKJU-LPOKXYRGSA-N 2 1 346.540 3.626 20 30 EHEDMP C=CCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325018 1132047054 /nfs/dbraw/zinc/04/70/54/1132047054.db2.gz XPJBCADCTKCKJU-LPOKXYRGSA-N 2 1 346.540 3.626 20 30 EHEDMP C=CCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325018 1132047059 /nfs/dbraw/zinc/04/70/59/1132047059.db2.gz XPJBCADCTKCKJU-LPOKXYRGSA-N 2 1 346.540 3.626 20 30 EHEDMP C=CCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325018 1132047062 /nfs/dbraw/zinc/04/70/62/1132047062.db2.gz XPJBCADCTKCKJU-LPOKXYRGSA-N 2 1 346.540 3.626 20 30 EHEDMP C=CCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001173325018 1132047070 /nfs/dbraw/zinc/04/70/70/1132047070.db2.gz XPJBCADCTKCKJU-LPOKXYRGSA-N 2 1 346.540 3.626 20 30 EHEDMP C[C@@]1(C#N)CC[NH+](CCCCCCCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686112 1136477893 /nfs/dbraw/zinc/47/78/93/1136477893.db2.gz FYTZAHVJTFGPFM-PMACEKPBSA-N 2 1 330.520 3.798 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000815652074 1136626843 /nfs/dbraw/zinc/62/68/43/1136626843.db2.gz NUKMFWGPQGDXIO-ZDUSSCGKSA-N 2 1 342.455 3.616 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000815652074 1136626845 /nfs/dbraw/zinc/62/68/45/1136626845.db2.gz NUKMFWGPQGDXIO-ZDUSSCGKSA-N 2 1 342.455 3.616 20 30 EHEDMP C=CCCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856607174 1136799147 /nfs/dbraw/zinc/79/91/47/1136799147.db2.gz XLWJDZJSDNERBQ-FQEVSTJZSA-N 2 1 331.504 3.731 20 30 EHEDMP C=CCCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856607174 1136799151 /nfs/dbraw/zinc/79/91/51/1136799151.db2.gz XLWJDZJSDNERBQ-FQEVSTJZSA-N 2 1 331.504 3.731 20 30 EHEDMP C=CCCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856607174 1136799154 /nfs/dbraw/zinc/79/91/54/1136799154.db2.gz XLWJDZJSDNERBQ-FQEVSTJZSA-N 2 1 331.504 3.731 20 30 EHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)cc1C#N ZINC000859995350 1137040089 /nfs/dbraw/zinc/04/00/89/1137040089.db2.gz QBZJCFQRUAJKTL-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)cc1C#N ZINC000859995350 1137040090 /nfs/dbraw/zinc/04/00/90/1137040090.db2.gz QBZJCFQRUAJKTL-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[NH+](CC)Cc1cncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171182594 1137293398 /nfs/dbraw/zinc/29/33/98/1137293398.db2.gz QANUEHMBOQCREY-UHFFFAOYSA-N 2 1 348.450 3.819 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1C#N ZINC000773073330 1137463288 /nfs/dbraw/zinc/46/32/88/1137463288.db2.gz COCBEXSHZIDOKP-OXQOHEQNSA-N 2 1 341.499 3.700 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1C#N ZINC000773086082 1137464520 /nfs/dbraw/zinc/46/45/20/1137464520.db2.gz YEPWLTYYQLWJMN-JXFKEZNVSA-N 2 1 341.499 3.700 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172289567 1137548165 /nfs/dbraw/zinc/54/81/65/1137548165.db2.gz FMUQIQFFDMRVSX-AVRDEDQJSA-N 2 1 333.479 3.601 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC000120037369 1137946090 /nfs/dbraw/zinc/94/60/90/1137946090.db2.gz ZSUBIPZDUUAETG-GOSISDBHSA-N 2 1 346.515 3.655 20 30 EHEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(OCC#N)cc3)CC2)C1 ZINC000180559789 1139846730 /nfs/dbraw/zinc/84/67/30/1139846730.db2.gz UMRNYRFAGMUUKT-FXAWDEMLSA-N 2 1 341.499 3.722 20 30 EHEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271077738 1141305492 /nfs/dbraw/zinc/30/54/92/1141305492.db2.gz PKAFBDAVMKWHDN-PELRDEGISA-N 2 1 325.500 3.712 20 30 EHEDMP C[C@@H](CCC#N)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602484529 1032913537 /nfs/dbraw/zinc/91/35/37/1032913537.db2.gz NZTFCCWFOQSEDF-IBGZPJMESA-N 2 1 325.500 3.914 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000581575660 1021103377 /nfs/dbraw/zinc/10/33/77/1021103377.db2.gz ZYNMIRRNYRZPDE-FUHWJXTLSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000581575660 1021103379 /nfs/dbraw/zinc/10/33/79/1021103379.db2.gz ZYNMIRRNYRZPDE-FUHWJXTLSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000581575660 1021103385 /nfs/dbraw/zinc/10/33/85/1021103385.db2.gz ZYNMIRRNYRZPDE-FUHWJXTLSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000581575660 1021103390 /nfs/dbraw/zinc/10/33/90/1021103390.db2.gz ZYNMIRRNYRZPDE-FUHWJXTLSA-N 2 1 334.891 3.821 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602659748 1033059665 /nfs/dbraw/zinc/05/96/65/1033059665.db2.gz WGMLZXASXCUCBP-LYBXBRPPSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602659748 1033059675 /nfs/dbraw/zinc/05/96/75/1033059675.db2.gz WGMLZXASXCUCBP-LYBXBRPPSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000449737258 1033137109 /nfs/dbraw/zinc/13/71/09/1033137109.db2.gz RBXFNIKEGMZVGU-DNVCBOLYSA-N 2 1 329.463 3.830 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808576 1023660380 /nfs/dbraw/zinc/66/03/80/1023660380.db2.gz MXXKYVKQKDLORK-WIYYLYMNSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535808576 1023660388 /nfs/dbraw/zinc/66/03/88/1023660388.db2.gz MXXKYVKQKDLORK-WIYYLYMNSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535808576 1023660392 /nfs/dbraw/zinc/66/03/92/1023660392.db2.gz MXXKYVKQKDLORK-WIYYLYMNSA-N 2 1 326.484 3.700 20 30 EHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442901088 1025586052 /nfs/dbraw/zinc/58/60/52/1025586052.db2.gz NNKBTFDRDJBZTH-QGZVFWFLSA-N 2 1 334.467 3.863 20 30 EHEDMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624812 1028201987 /nfs/dbraw/zinc/20/19/87/1028201987.db2.gz DWTBNHBKYHGHQW-UTKZUKDTSA-N 2 1 349.478 3.710 20 30 EHEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624812 1028202002 /nfs/dbraw/zinc/20/20/02/1028202002.db2.gz DWTBNHBKYHGHQW-UTKZUKDTSA-N 2 1 349.478 3.710 20 30 EHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152207 1029363745 /nfs/dbraw/zinc/36/37/45/1029363745.db2.gz AERBCPIYSZUXNQ-UIFIKXQLSA-N 2 1 343.515 3.736 20 30 EHEDMP N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683534 1030652469 /nfs/dbraw/zinc/65/24/69/1030652469.db2.gz PORWGGAVOHTCCC-FQEVSTJZSA-N 2 1 341.499 3.677 20 30 EHEDMP N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683534 1030652474 /nfs/dbraw/zinc/65/24/74/1030652474.db2.gz PORWGGAVOHTCCC-FQEVSTJZSA-N 2 1 341.499 3.677 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000246764572 1030696708 /nfs/dbraw/zinc/69/67/08/1030696708.db2.gz PREDEQYLBRPGRM-OALUTQOASA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000246764572 1030696712 /nfs/dbraw/zinc/69/67/12/1030696712.db2.gz PREDEQYLBRPGRM-OALUTQOASA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000246764572 1030696720 /nfs/dbraw/zinc/69/67/20/1030696720.db2.gz PREDEQYLBRPGRM-OALUTQOASA-N 2 1 344.499 3.566 20 30 EHEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000246764572 1030696726 /nfs/dbraw/zinc/69/67/26/1030696726.db2.gz PREDEQYLBRPGRM-OALUTQOASA-N 2 1 344.499 3.566 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177583089 1031579250 /nfs/dbraw/zinc/57/92/50/1031579250.db2.gz UVXWXHAULHAXGF-QGZVFWFLSA-N 2 1 341.499 3.864 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594927208 1033549279 /nfs/dbraw/zinc/54/92/79/1033549279.db2.gz ZMJNWFFZXONJLM-HDICACEKSA-N 2 1 325.500 3.699 20 30 EHEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658135478 1033970354 /nfs/dbraw/zinc/97/03/54/1033970354.db2.gz DXWKXHULAOHVCP-WOJBJXKFSA-N 2 1 340.467 3.643 20 30 EHEDMP N#CCCCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596059588 1034056291 /nfs/dbraw/zinc/05/62/91/1034056291.db2.gz RLUQETPZYNQOQP-HXUWFJFHSA-N 2 1 341.499 3.581 20 30 EHEDMP CC(CC[NH+]1CCC[C@@](C)(C#N)C1)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000591026524 1037207937 /nfs/dbraw/zinc/20/79/37/1037207937.db2.gz JKXHYCOPCBDYFF-PMACEKPBSA-N 2 1 330.520 3.654 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463249694 1037950698 /nfs/dbraw/zinc/95/06/98/1037950698.db2.gz XBXFDPSTCZMZCO-AVRDEDQJSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000463249694 1037950715 /nfs/dbraw/zinc/95/07/15/1037950715.db2.gz XBXFDPSTCZMZCO-AVRDEDQJSA-N 2 1 333.479 3.743 20 30 EHEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898522944 1039196865 /nfs/dbraw/zinc/19/68/65/1039196865.db2.gz WBNNYUYDYFHUKA-QMCAAQAGSA-N 2 1 337.511 3.959 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570927056 1041134909 /nfs/dbraw/zinc/13/49/09/1041134909.db2.gz NWPYWXYJQNJCQH-OAQYLSRUSA-N 2 1 331.463 3.845 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570927056 1041134923 /nfs/dbraw/zinc/13/49/23/1041134923.db2.gz NWPYWXYJQNJCQH-OAQYLSRUSA-N 2 1 331.463 3.845 20 30 EHEDMP Cc1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290937 1044555707 /nfs/dbraw/zinc/55/57/07/1044555707.db2.gz BLVPWJCTSNCNRF-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290937 1044555724 /nfs/dbraw/zinc/55/57/24/1044555724.db2.gz BLVPWJCTSNCNRF-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290937 1044555737 /nfs/dbraw/zinc/55/57/37/1044555737.db2.gz BLVPWJCTSNCNRF-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000512290937 1044555747 /nfs/dbraw/zinc/55/57/47/1044555747.db2.gz BLVPWJCTSNCNRF-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(C#N)s1 ZINC000153585499 1128475207 /nfs/dbraw/zinc/47/52/07/1128475207.db2.gz JYFNUVIVGOHBEY-HOTGVXAUSA-N 2 1 339.508 3.866 20 30 EHEDMP C#CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183102012 1125444359 /nfs/dbraw/zinc/44/43/59/1125444359.db2.gz YJRSDJFCHDHQJI-QUCCMNQESA-N 2 1 340.511 3.831 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000282368774 1129644412 /nfs/dbraw/zinc/64/44/12/1129644412.db2.gz IFAQQPDPSVLUSF-AQNXPRMDSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000282368774 1129644413 /nfs/dbraw/zinc/64/44/13/1129644413.db2.gz IFAQQPDPSVLUSF-AQNXPRMDSA-N 2 1 325.500 3.959 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460303 1130359449 /nfs/dbraw/zinc/35/94/49/1130359449.db2.gz VHIMSXOBLMBCPN-IEBWSBKVSA-N 2 1 325.481 3.792 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000174460303 1130359453 /nfs/dbraw/zinc/35/94/53/1130359453.db2.gz VHIMSXOBLMBCPN-IEBWSBKVSA-N 2 1 325.481 3.792 20 30 EHEDMP N#CCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001173327682 1132048423 /nfs/dbraw/zinc/04/84/23/1132048423.db2.gz FNZYRHATDNWRGN-KPUASWNJSA-N 2 1 337.511 3.959 20 30 EHEDMP CC1(C#N)CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590827 1132096447 /nfs/dbraw/zinc/09/64/47/1132096447.db2.gz CXHDFXGJIALXNW-RTWGARKQSA-N 2 1 326.488 3.626 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cnc3ccc(C[NH3+])cc32)cc1 ZINC001168845861 1132586803 /nfs/dbraw/zinc/58/68/03/1132586803.db2.gz HPAFHQFEEUYEAJ-HXUWFJFHSA-N 2 1 332.451 3.807 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001178828177 1133202847 /nfs/dbraw/zinc/20/28/47/1133202847.db2.gz XYZOXSJTVPTHKV-UHFFFAOYSA-N 2 1 342.433 3.641 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001178828177 1133202853 /nfs/dbraw/zinc/20/28/53/1133202853.db2.gz XYZOXSJTVPTHKV-UHFFFAOYSA-N 2 1 342.433 3.641 20 30 EHEDMP N#CC1(c2ccccc2)CCC([N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001170359662 1134755643 /nfs/dbraw/zinc/75/56/43/1134755643.db2.gz DGGGGHVEFHZIGR-UHFFFAOYSA-N 2 1 333.479 3.851 20 30 EHEDMP N#CC1(c2ccccc2)CCC([N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001170359662 1134755647 /nfs/dbraw/zinc/75/56/47/1134755647.db2.gz DGGGGHVEFHZIGR-UHFFFAOYSA-N 2 1 333.479 3.851 20 30 EHEDMP CCCCCCCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001201840147 1136069577 /nfs/dbraw/zinc/06/95/77/1136069577.db2.gz NJXLUAQTHDPESA-SFHVURJKSA-N 2 1 338.536 3.696 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000815652910 1136626970 /nfs/dbraw/zinc/62/69/70/1136626970.db2.gz ZYRMRZRBFAAQKA-CQSZACIVSA-N 2 1 345.487 3.863 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000815652910 1136626972 /nfs/dbraw/zinc/62/69/72/1136626972.db2.gz ZYRMRZRBFAAQKA-CQSZACIVSA-N 2 1 345.487 3.863 20 30 EHEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000824559828 1137142913 /nfs/dbraw/zinc/14/29/13/1137142913.db2.gz ZWLSILIDGHFBMR-FQEVSTJZSA-N 2 1 342.531 3.637 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001171228963 1137353704 /nfs/dbraw/zinc/35/37/04/1137353704.db2.gz JYSSQONMTHIZHE-YYWHXJBOSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001171228963 1137353706 /nfs/dbraw/zinc/35/37/06/1137353706.db2.gz JYSSQONMTHIZHE-YYWHXJBOSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001171228963 1137353708 /nfs/dbraw/zinc/35/37/08/1137353708.db2.gz JYSSQONMTHIZHE-YYWHXJBOSA-N 2 1 325.500 3.828 20 30 EHEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078160 1137463627 /nfs/dbraw/zinc/46/36/27/1137463627.db2.gz VFEPCLQUQXJLOH-RTBURBONSA-N 2 1 328.500 3.717 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001202602653 1137882745 /nfs/dbraw/zinc/88/27/45/1137882745.db2.gz JJTUDDBBDHXIQR-UHFFFAOYSA-N 2 1 344.405 3.802 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001202602653 1137882746 /nfs/dbraw/zinc/88/27/46/1137882746.db2.gz JJTUDDBBDHXIQR-UHFFFAOYSA-N 2 1 344.405 3.802 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134917836 1138712773 /nfs/dbraw/zinc/71/27/73/1138712773.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 2 1 337.511 3.936 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000176967654 1017544617 /nfs/dbraw/zinc/54/46/17/1017544617.db2.gz ARXZQBZGOCSOGP-AYHJJNSGSA-N 2 1 337.492 3.905 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000176967654 1017544628 /nfs/dbraw/zinc/54/46/28/1017544628.db2.gz ARXZQBZGOCSOGP-AYHJJNSGSA-N 2 1 337.492 3.905 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000614397431 1018966231 /nfs/dbraw/zinc/96/62/31/1018966231.db2.gz WDLAMXVEAZYNMQ-FQEVSTJZSA-N 2 1 325.500 3.955 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000614397431 1018966245 /nfs/dbraw/zinc/96/62/45/1018966245.db2.gz WDLAMXVEAZYNMQ-FQEVSTJZSA-N 2 1 325.500 3.955 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403596 1032799066 /nfs/dbraw/zinc/79/90/66/1032799066.db2.gz PRSGVDWFRCJEGQ-CVAIRZPRSA-N 2 1 337.442 3.693 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403596 1032799079 /nfs/dbraw/zinc/79/90/79/1032799079.db2.gz PRSGVDWFRCJEGQ-CVAIRZPRSA-N 2 1 337.442 3.693 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000614401052 1018975765 /nfs/dbraw/zinc/97/57/65/1018975765.db2.gz YVHLETWPBPYKED-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000614401052 1018975780 /nfs/dbraw/zinc/97/57/80/1018975780.db2.gz YVHLETWPBPYKED-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000614401052 1018975791 /nfs/dbraw/zinc/97/57/91/1018975791.db2.gz YVHLETWPBPYKED-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000614401052 1018975806 /nfs/dbraw/zinc/97/58/06/1018975806.db2.gz YVHLETWPBPYKED-ICSRJNTNSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c(C)n1 ZINC000331350980 1022801184 /nfs/dbraw/zinc/80/11/84/1022801184.db2.gz YRLMMPIAWLWEDW-QGZVFWFLSA-N 2 1 332.492 3.843 20 30 EHEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449734778 1033129650 /nfs/dbraw/zinc/12/96/50/1033129650.db2.gz DMATWFKMXAYWES-MGPUTAFESA-N 2 1 329.463 3.830 20 30 EHEDMP C=CCC1([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000895260021 1024138971 /nfs/dbraw/zinc/13/89/71/1024138971.db2.gz NQFLJAZZSZGVQC-HBMCJLEFSA-N 2 1 340.511 3.754 20 30 EHEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000435730558 1025097802 /nfs/dbraw/zinc/09/78/02/1025097802.db2.gz FMZSBDPBOOZTKF-VQTJNVASSA-N 2 1 330.516 3.715 20 30 EHEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425535695 1025682439 /nfs/dbraw/zinc/68/24/39/1025682439.db2.gz NWTFLMLDCGSKTA-SFHVURJKSA-N 2 1 349.478 3.583 20 30 EHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425535695 1025682443 /nfs/dbraw/zinc/68/24/43/1025682443.db2.gz NWTFLMLDCGSKTA-SFHVURJKSA-N 2 1 349.478 3.583 20 30 EHEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677720 1027201889 /nfs/dbraw/zinc/20/18/89/1027201889.db2.gz SBGRRRMKSZTUJL-QZTJIDSGSA-N 2 1 335.561 3.761 20 30 EHEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659993 1030650151 /nfs/dbraw/zinc/65/01/51/1030650151.db2.gz XOQGHGNCCXOWTE-IBGZPJMESA-N 2 1 329.488 3.675 20 30 EHEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659993 1030650159 /nfs/dbraw/zinc/65/01/59/1030650159.db2.gz XOQGHGNCCXOWTE-IBGZPJMESA-N 2 1 329.488 3.675 20 30 EHEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659993 1030650168 /nfs/dbraw/zinc/65/01/68/1030650168.db2.gz XOQGHGNCCXOWTE-IBGZPJMESA-N 2 1 329.488 3.675 20 30 EHEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659993 1030650180 /nfs/dbraw/zinc/65/01/80/1030650180.db2.gz XOQGHGNCCXOWTE-IBGZPJMESA-N 2 1 329.488 3.675 20 30 EHEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000329605143 1031312594 /nfs/dbraw/zinc/31/25/94/1031312594.db2.gz ZENZFXSZDPSHMN-WMZOPIPTSA-N 2 1 344.503 3.508 20 30 EHEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000329605143 1031312614 /nfs/dbraw/zinc/31/26/14/1031312614.db2.gz ZENZFXSZDPSHMN-WMZOPIPTSA-N 2 1 344.503 3.508 20 30 EHEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)c1O ZINC000173446719 1033339819 /nfs/dbraw/zinc/33/98/19/1033339819.db2.gz LHYSUOCROIOWDH-KRWDZBQOSA-N 2 1 346.515 3.683 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)c1O ZINC000173446719 1033339830 /nfs/dbraw/zinc/33/98/30/1033339830.db2.gz LHYSUOCROIOWDH-KRWDZBQOSA-N 2 1 346.515 3.683 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)c1O ZINC000173446719 1033339844 /nfs/dbraw/zinc/33/98/44/1033339844.db2.gz LHYSUOCROIOWDH-KRWDZBQOSA-N 2 1 346.515 3.683 20 30 EHEDMP C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595091330 1033701423 /nfs/dbraw/zinc/70/14/23/1033701423.db2.gz PKDXHCJPCCAHBT-ICSRJNTNSA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595091330 1033701440 /nfs/dbraw/zinc/70/14/40/1033701440.db2.gz PKDXHCJPCCAHBT-ICSRJNTNSA-N 2 1 325.500 3.961 20 30 EHEDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372418 1033891823 /nfs/dbraw/zinc/89/18/23/1033891823.db2.gz JLUKGHSGEAKPQM-AVRDEDQJSA-N 2 1 333.479 3.867 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000386485885 1035750425 /nfs/dbraw/zinc/75/04/25/1035750425.db2.gz WUZHQXPCJMXXTJ-QFIPXVFZSA-N 2 1 333.479 3.950 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043146 1036606738 /nfs/dbraw/zinc/60/67/38/1036606738.db2.gz SGUVXHPWVIAZBT-PGRDOPGGSA-N 2 1 333.479 3.895 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043146 1036606747 /nfs/dbraw/zinc/60/67/47/1036606747.db2.gz SGUVXHPWVIAZBT-PGRDOPGGSA-N 2 1 333.479 3.895 20 30 EHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152479707 1036873902 /nfs/dbraw/zinc/87/39/02/1036873902.db2.gz AVOYUVHPYJMSSH-HOTGVXAUSA-N 2 1 334.891 3.953 20 30 EHEDMP N#CC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517959 1039186218 /nfs/dbraw/zinc/18/62/18/1039186218.db2.gz DXICJDKOSBEXNY-BLQBXXAQSA-N 2 1 337.511 3.959 20 30 EHEDMP CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121602132 1042810002 /nfs/dbraw/zinc/81/00/02/1042810002.db2.gz NOUIPDFSPGEKSR-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121602132 1042810008 /nfs/dbraw/zinc/81/00/08/1042810008.db2.gz NOUIPDFSPGEKSR-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121602132 1042810012 /nfs/dbraw/zinc/81/00/12/1042810012.db2.gz NOUIPDFSPGEKSR-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121602132 1042810015 /nfs/dbraw/zinc/81/00/15/1042810015.db2.gz NOUIPDFSPGEKSR-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121602132 1042810020 /nfs/dbraw/zinc/81/00/20/1042810020.db2.gz NOUIPDFSPGEKSR-IBGZPJMESA-N 2 1 337.442 3.651 20 30 EHEDMP C=CCCCCCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279270968 1043571675 /nfs/dbraw/zinc/57/16/75/1043571675.db2.gz ISPHASZJORYMJS-UHFFFAOYSA-N 2 1 330.520 3.834 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c(cccc3OC)C2)CC1 ZINC001649111746 1128290431 /nfs/dbraw/zinc/29/04/31/1128290431.db2.gz BZPOKKFCOVDFRX-LJQANCHMSA-N 2 1 328.500 3.573 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c(cccc3OC)C2)CC1 ZINC001649111745 1128290479 /nfs/dbraw/zinc/29/04/79/1128290479.db2.gz BZPOKKFCOVDFRX-IBGZPJMESA-N 2 1 328.500 3.573 20 30 EHEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690250 /nfs/dbraw/zinc/69/02/50/1129690250.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 2 1 331.463 3.753 20 30 EHEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690252 /nfs/dbraw/zinc/69/02/52/1129690252.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 2 1 331.463 3.753 20 30 EHEDMP N#CCC1CCC([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173331216 1132049268 /nfs/dbraw/zinc/04/92/68/1132049268.db2.gz AYKGNHNSHDZBKR-YAEFEIELSA-N 2 1 326.488 3.626 20 30 EHEDMP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971195 1133217537 /nfs/dbraw/zinc/21/75/37/1133217537.db2.gz FOXPZNQMEAWPJA-WSWWRLHASA-N 2 1 342.527 3.858 20 30 EHEDMP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971195 1133217544 /nfs/dbraw/zinc/21/75/44/1133217544.db2.gz FOXPZNQMEAWPJA-WSWWRLHASA-N 2 1 342.527 3.858 20 30 EHEDMP C[C@]1(C#N)CC[NH+](CCCCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686113 1136477906 /nfs/dbraw/zinc/47/79/06/1136477906.db2.gz FYTZAHVJTFGPFM-WOJBJXKFSA-N 2 1 330.520 3.798 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001171176951 1137286771 /nfs/dbraw/zinc/28/67/71/1137286771.db2.gz YLNLAXOBROCQCX-GOSISDBHSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001171228953 1137353519 /nfs/dbraw/zinc/35/35/19/1137353519.db2.gz JYSSQONMTHIZHE-DZFGPLHGSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001171228953 1137353521 /nfs/dbraw/zinc/35/35/21/1137353521.db2.gz JYSSQONMTHIZHE-DZFGPLHGSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001171228953 1137353523 /nfs/dbraw/zinc/35/35/23/1137353523.db2.gz JYSSQONMTHIZHE-DZFGPLHGSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001172289823 1137548125 /nfs/dbraw/zinc/54/81/25/1137548125.db2.gz IQKYZSQYJODQHY-WMZHIEFXSA-N 2 1 347.506 3.991 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000883164796 1137846763 /nfs/dbraw/zinc/84/67/63/1137846763.db2.gz OHGVCSVYVBXVSK-RTWAWAEBSA-N 2 1 328.500 3.754 20 30 EHEDMP C=C(C)COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000093645078 1138239518 /nfs/dbraw/zinc/23/95/18/1138239518.db2.gz AXBANFPTCVEYJK-WMZOPIPTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000093645078 1138239519 /nfs/dbraw/zinc/23/95/19/1138239519.db2.gz AXBANFPTCVEYJK-WMZOPIPTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1OC ZINC000093645078 1138239521 /nfs/dbraw/zinc/23/95/21/1138239521.db2.gz AXBANFPTCVEYJK-WMZOPIPTSA-N 2 1 332.488 3.565 20 30 EHEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000125534394 1138311270 /nfs/dbraw/zinc/31/12/70/1138311270.db2.gz FKKQAGBQBOLGDO-NRFANRHFSA-N 2 1 349.478 3.521 20 30 EHEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000125534394 1138311272 /nfs/dbraw/zinc/31/12/72/1138311272.db2.gz FKKQAGBQBOLGDO-NRFANRHFSA-N 2 1 349.478 3.521 20 30 EHEDMP N#CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000449444685 1032560184 /nfs/dbraw/zinc/56/01/84/1032560184.db2.gz CJEMTMMCWCVYGV-PXNSSMCTSA-N 2 1 329.463 3.505 20 30 EHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602006278 1032591786 /nfs/dbraw/zinc/59/17/86/1032591786.db2.gz RTMBDEXLHKBEFU-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602006278 1032591800 /nfs/dbraw/zinc/59/18/00/1032591800.db2.gz RTMBDEXLHKBEFU-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000377886202 1018514555 /nfs/dbraw/zinc/51/45/55/1018514555.db2.gz ZCOWAVXMNXNYRO-FQEVSTJZSA-N 2 1 341.499 3.533 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000398046450 1018960399 /nfs/dbraw/zinc/96/03/99/1018960399.db2.gz VWBDRCQMGFVZDP-KKSFZXQISA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000398046450 1018960413 /nfs/dbraw/zinc/96/04/13/1018960413.db2.gz VWBDRCQMGFVZDP-KKSFZXQISA-N 2 1 337.442 3.698 20 30 EHEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000398103244 1018969388 /nfs/dbraw/zinc/96/93/88/1018969388.db2.gz AUGUIIJLZVEULB-UTKZUKDTSA-N 2 1 349.478 3.567 20 30 EHEDMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000513502198 1019758945 /nfs/dbraw/zinc/75/89/45/1019758945.db2.gz YCAZERYGCMSQHK-AVRDEDQJSA-N 2 1 333.479 3.949 20 30 EHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602574380 1032983749 /nfs/dbraw/zinc/98/37/49/1032983749.db2.gz ZONQYPGTLCYZKA-RTBURBONSA-N 2 1 343.515 3.586 20 30 EHEDMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc2cc(O)ccc2c1 ZINC001167970492 1022385041 /nfs/dbraw/zinc/38/50/41/1022385041.db2.gz LOJOQBKVQLSLKP-IHWFROFDSA-N 2 1 349.478 3.656 20 30 EHEDMP N#CC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000602717838 1033105706 /nfs/dbraw/zinc/10/57/06/1033105706.db2.gz IQZCKTGAQIVGCT-VEDCXYSMSA-N 2 1 337.511 3.961 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000330208767 1024355779 /nfs/dbraw/zinc/35/57/79/1024355779.db2.gz BHJXAYIKBXJVLQ-IFXJQAMLSA-N 2 1 338.455 3.825 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000330208767 1024355797 /nfs/dbraw/zinc/35/57/97/1024355797.db2.gz BHJXAYIKBXJVLQ-IFXJQAMLSA-N 2 1 338.455 3.825 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000152976607 1026803473 /nfs/dbraw/zinc/80/34/73/1026803473.db2.gz UBXJLPIFJXSDIA-GOSISDBHSA-N 2 1 330.472 3.539 20 30 EHEDMP COc1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)ccc1C#N ZINC000440648496 1028523555 /nfs/dbraw/zinc/52/35/55/1028523555.db2.gz PWMVWPNKABCNDX-UHFFFAOYSA-N 2 1 329.488 3.701 20 30 EHEDMP N#Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583084130 1028774082 /nfs/dbraw/zinc/77/40/82/1028774082.db2.gz XOGLXWUJOROWAP-QFIPXVFZSA-N 2 1 345.490 3.888 20 30 EHEDMP N#Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583084130 1028774096 /nfs/dbraw/zinc/77/40/96/1028774096.db2.gz XOGLXWUJOROWAP-QFIPXVFZSA-N 2 1 345.490 3.888 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000533309056 1029612210 /nfs/dbraw/zinc/61/22/10/1029612210.db2.gz UWDKSERIWSDXOT-QFBILLFUSA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000533309056 1029612212 /nfs/dbraw/zinc/61/22/12/1029612212.db2.gz UWDKSERIWSDXOT-QFBILLFUSA-N 2 1 343.471 3.932 20 30 EHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000536652978 1032041371 /nfs/dbraw/zinc/04/13/71/1032041371.db2.gz HRZYVLNEPIKKCO-UHFFFAOYSA-N 2 1 343.515 3.921 20 30 EHEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594607142 1033476062 /nfs/dbraw/zinc/47/60/62/1033476062.db2.gz PVIJTLMDJONQQU-LJQANCHMSA-N 2 1 325.500 3.651 20 30 EHEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311158369 1036968170 /nfs/dbraw/zinc/96/81/70/1036968170.db2.gz PADDZEUQWHZVKS-NRFANRHFSA-N 2 1 336.479 3.863 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463252449 1037952733 /nfs/dbraw/zinc/95/27/33/1037952733.db2.gz NESVKGXQPJHYEB-LANMQJKKSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463252449 1037952743 /nfs/dbraw/zinc/95/27/43/1037952743.db2.gz NESVKGXQPJHYEB-LANMQJKKSA-N 2 1 325.500 3.959 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000614168786 1040340811 /nfs/dbraw/zinc/34/08/11/1040340811.db2.gz UOKKXSOZXKVDJU-LJQANCHMSA-N 2 1 325.500 3.796 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000614168786 1040340826 /nfs/dbraw/zinc/34/08/26/1040340826.db2.gz UOKKXSOZXKVDJU-LJQANCHMSA-N 2 1 325.500 3.796 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512642392 1040381412 /nfs/dbraw/zinc/38/14/12/1040381412.db2.gz PEQZBZWGCAXEIH-YTFSRNRJSA-N 2 1 345.490 3.949 20 30 EHEDMP C[N@H+]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)C[C@@H]1c1ccccc1 ZINC000566568984 1040547736 /nfs/dbraw/zinc/54/77/36/1040547736.db2.gz YSCCPHKSHLREFY-LEWJYISDSA-N 2 1 331.463 3.972 20 30 EHEDMP C=CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676323 1042824607 /nfs/dbraw/zinc/82/46/07/1042824607.db2.gz VAQIKKLZMAHSMH-UTKZUKDTSA-N 2 1 341.499 3.555 20 30 EHEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001167833503 1043006117 /nfs/dbraw/zinc/00/61/17/1043006117.db2.gz CDMGLAHWYRLRHR-GHTZIAJQSA-N 2 1 343.515 3.912 20 30 EHEDMP N#CCC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173326394 1132048150 /nfs/dbraw/zinc/04/81/50/1132048150.db2.gz YNGAYHFQBKBABC-VEDCXYSMSA-N 2 1 325.500 3.961 20 30 EHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC23CC[NH+](CC2)CC3)cc1 ZINC001169800575 1132854662 /nfs/dbraw/zinc/85/46/62/1132854662.db2.gz YRGWULZRNVOTGQ-FQEVSTJZSA-N 2 1 325.500 3.907 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000106246182 1136071042 /nfs/dbraw/zinc/07/10/42/1136071042.db2.gz IFRZEQLLSJSRPT-UHFFFAOYSA-N 2 1 327.516 3.807 20 30 EHEDMP C#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001144572206 1137311637 /nfs/dbraw/zinc/31/16/37/1137311637.db2.gz UBSUURVSRXCLAN-UHFFFAOYSA-N 2 1 334.463 3.749 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883187557 1137847775 /nfs/dbraw/zinc/84/77/75/1137847775.db2.gz QBXGUKXGJRIHJF-OAQYLSRUSA-N 2 1 346.490 3.924 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000134157087 1137943865 /nfs/dbraw/zinc/94/38/65/1137943865.db2.gz GFBSWGIRDGWDNX-SFHVURJKSA-N 2 1 343.515 3.921 20 30 EHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174273976 1139410385 /nfs/dbraw/zinc/41/03/85/1139410385.db2.gz JQCIXJJQYQSOEM-IAGOWNOFSA-N 2 1 337.467 3.919 20 30 EHEDMP CN(c1ccccc1C=[NH+]OCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000777461387 1140401817 /nfs/dbraw/zinc/40/18/17/1140401817.db2.gz YIFQUNYBRPNMPI-UHFFFAOYSA-N 2 1 343.393 3.520 20 30 EHEDMP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223654 1032339861 /nfs/dbraw/zinc/33/98/61/1032339861.db2.gz GJDIVBWRFSZUJA-GUSVMJMASA-N 2 1 325.500 3.959 20 30 EHEDMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236774936 1018159577 /nfs/dbraw/zinc/15/95/77/1018159577.db2.gz RSYYMYPVRPYDJH-UHFFFAOYSA-N 2 1 329.488 3.579 20 30 EHEDMP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602577554 1032997029 /nfs/dbraw/zinc/99/70/29/1032997029.db2.gz VRPSJBSZXPRNFM-KJJOEJEFSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602716172 1033101850 /nfs/dbraw/zinc/10/18/50/1033101850.db2.gz ADXAGUNPGFIZIE-QUCCMNQESA-N 2 1 325.500 3.818 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092565260 1023451153 /nfs/dbraw/zinc/45/11/53/1023451153.db2.gz QPCSIKKBFUPILG-UHFFFAOYSA-N 2 1 336.520 3.517 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280905141 1024417382 /nfs/dbraw/zinc/41/73/82/1024417382.db2.gz OQKYFJGROQMKFM-IAGOWNOFSA-N 2 1 346.515 3.826 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639276084 1026028267 /nfs/dbraw/zinc/02/82/67/1026028267.db2.gz VNFUEAWDWVPRLZ-YHELAOLJSA-N 2 1 326.484 3.535 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639276084 1026028285 /nfs/dbraw/zinc/02/82/85/1026028285.db2.gz VNFUEAWDWVPRLZ-YHELAOLJSA-N 2 1 326.484 3.535 20 30 EHEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677721 1027201205 /nfs/dbraw/zinc/20/12/05/1027201205.db2.gz SBGRRRMKSZTUJL-ROUUACIJSA-N 2 1 335.561 3.761 20 30 EHEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000237730620 1028060942 /nfs/dbraw/zinc/06/09/42/1028060942.db2.gz WEZMQDLHYKNJLJ-UHFFFAOYSA-N 2 1 348.490 3.761 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000533309057 1029611578 /nfs/dbraw/zinc/61/15/78/1029611578.db2.gz UWDKSERIWSDXOT-VQIMIIECSA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000533309057 1029611585 /nfs/dbraw/zinc/61/15/85/1029611585.db2.gz UWDKSERIWSDXOT-VQIMIIECSA-N 2 1 343.471 3.932 20 30 EHEDMP N#CCCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000594506050 1033406186 /nfs/dbraw/zinc/40/61/86/1033406186.db2.gz KMXWRUANGDEXLO-LEWJYISDSA-N 2 1 341.499 3.655 20 30 EHEDMP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000595896638 1034024400 /nfs/dbraw/zinc/02/44/00/1034024400.db2.gz SMYBPZHBLBUKMR-MLGOLLRUSA-N 2 1 325.378 3.526 20 30 EHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000595896638 1034024421 /nfs/dbraw/zinc/02/44/21/1034024421.db2.gz SMYBPZHBLBUKMR-MLGOLLRUSA-N 2 1 325.378 3.526 20 30 EHEDMP N#CC1(c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000597031149 1034505004 /nfs/dbraw/zinc/50/50/04/1034505004.db2.gz VQHPRYUGBGNDQY-GHTZIAJQSA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000597031149 1034505013 /nfs/dbraw/zinc/50/50/13/1034505013.db2.gz VQHPRYUGBGNDQY-GHTZIAJQSA-N 2 1 335.495 3.690 20 30 EHEDMP N#CC1(c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000597031149 1034505023 /nfs/dbraw/zinc/50/50/23/1034505023.db2.gz VQHPRYUGBGNDQY-GHTZIAJQSA-N 2 1 335.495 3.690 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433178415 1040992426 /nfs/dbraw/zinc/99/24/26/1040992426.db2.gz RWANVLUKFIWSIA-IBGZPJMESA-N 2 1 343.471 3.947 20 30 EHEDMP C=CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676322 1042824847 /nfs/dbraw/zinc/82/48/47/1042824847.db2.gz VAQIKKLZMAHSMH-LAUBAEHRSA-N 2 1 341.499 3.555 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000921630628 1127900923 /nfs/dbraw/zinc/90/09/23/1127900923.db2.gz SUOOPIAZXJFINS-CQSZACIVSA-N 2 1 331.510 3.683 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000921630628 1127900925 /nfs/dbraw/zinc/90/09/25/1127900925.db2.gz SUOOPIAZXJFINS-CQSZACIVSA-N 2 1 331.510 3.683 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000181573004 1124935946 /nfs/dbraw/zinc/93/59/46/1124935946.db2.gz LJPXXIFCOIVWDN-ROUUACIJSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000181573004 1124935954 /nfs/dbraw/zinc/93/59/54/1124935954.db2.gz LJPXXIFCOIVWDN-ROUUACIJSA-N 2 1 349.478 3.630 20 30 EHEDMP C=C(C)COc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280329 /nfs/dbraw/zinc/28/03/29/1125280329.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280334 /nfs/dbraw/zinc/28/03/34/1125280334.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280340 /nfs/dbraw/zinc/28/03/40/1125280340.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 2 1 346.515 3.812 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000152961096 1125408518 /nfs/dbraw/zinc/40/85/18/1125408518.db2.gz YWBDOLJYHCNSRW-HNNXBMFYSA-N 2 1 341.499 3.607 20 30 EHEDMP C#CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183101992 1125444302 /nfs/dbraw/zinc/44/43/02/1125444302.db2.gz YJRSDJFCHDHQJI-ICSRJNTNSA-N 2 1 340.511 3.831 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825960 1129533533 /nfs/dbraw/zinc/53/35/33/1129533533.db2.gz KZKRISDZCJAVPQ-HRAATJIYSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H](CCCC#N)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001172499628 1131759650 /nfs/dbraw/zinc/75/96/50/1131759650.db2.gz YUWVWAUPEIZDDQ-AYZHRIAMSA-N 2 1 327.516 3.964 20 30 EHEDMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172931537 1131910189 /nfs/dbraw/zinc/91/01/89/1131910189.db2.gz UZLMMZUQVPPLPE-NCYKPQTJSA-N 2 1 341.499 3.588 20 30 EHEDMP C=CCCCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198141019 1135775536 /nfs/dbraw/zinc/77/55/36/1135775536.db2.gz SWFIJNKBPOZZCU-UHFFFAOYSA-N 2 1 330.516 3.957 20 30 EHEDMP C=CCCCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198141019 1135775540 /nfs/dbraw/zinc/77/55/40/1135775540.db2.gz SWFIJNKBPOZZCU-UHFFFAOYSA-N 2 1 330.516 3.957 20 30 EHEDMP C=CCCCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198141019 1135775542 /nfs/dbraw/zinc/77/55/42/1135775542.db2.gz SWFIJNKBPOZZCU-UHFFFAOYSA-N 2 1 330.516 3.957 20 30 EHEDMP C=CCCCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198141019 1135775545 /nfs/dbraw/zinc/77/55/45/1135775545.db2.gz SWFIJNKBPOZZCU-UHFFFAOYSA-N 2 1 330.516 3.957 20 30 EHEDMP C[Si](C)(C)C#C[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170645777 1136142617 /nfs/dbraw/zinc/14/26/17/1136142617.db2.gz IMFKEDWQPSACEE-GHBBCFCZSA-N 2 1 326.560 3.953 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001171201709 1137318052 /nfs/dbraw/zinc/31/80/52/1137318052.db2.gz QDELBDANCGKZNI-PWHSHALESA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001171201709 1137318053 /nfs/dbraw/zinc/31/80/53/1137318053.db2.gz QDELBDANCGKZNI-PWHSHALESA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001171222118 1137348212 /nfs/dbraw/zinc/34/82/12/1137348212.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001171222118 1137348214 /nfs/dbraw/zinc/34/82/14/1137348214.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001171222118 1137348216 /nfs/dbraw/zinc/34/82/16/1137348216.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 2 1 345.490 3.553 20 30 EHEDMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877195701 1137672751 /nfs/dbraw/zinc/67/27/51/1137672751.db2.gz OIKPZXXEWWOBRI-UHFFFAOYSA-N 2 1 348.922 3.941 20 30 EHEDMP C=CC[NH+]1CCC(NCc2cnc(-c3ccccc3F)s2)CC1 ZINC000449123324 1032216360 /nfs/dbraw/zinc/21/63/60/1032216360.db2.gz NVZJJEINSIGKKL-UHFFFAOYSA-N 2 1 331.460 3.689 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000592404239 1032773685 /nfs/dbraw/zinc/77/36/85/1032773685.db2.gz VSEAKGCEWNTRQT-YSGRDPCXSA-N 2 1 337.442 3.693 20 30 EHEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000398103256 1018969248 /nfs/dbraw/zinc/96/92/48/1018969248.db2.gz AUGUIIJLZVEULB-UWJYYQICSA-N 2 1 349.478 3.567 20 30 EHEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472308 1032904806 /nfs/dbraw/zinc/90/48/06/1032904806.db2.gz DUBNDDOGLVKFFV-FPOVZHCZSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000602472308 1032904817 /nfs/dbraw/zinc/90/48/17/1032904817.db2.gz DUBNDDOGLVKFFV-FPOVZHCZSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000602472308 1032904825 /nfs/dbraw/zinc/90/48/25/1032904825.db2.gz DUBNDDOGLVKFFV-FPOVZHCZSA-N 2 1 325.500 3.914 20 30 EHEDMP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329670854 1024035919 /nfs/dbraw/zinc/03/59/19/1024035919.db2.gz RXNJUVUMSZXFIP-INIZCTEOSA-N 2 1 338.455 3.502 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845372 1033220480 /nfs/dbraw/zinc/22/04/80/1033220480.db2.gz ISYIYWXAJPIFKG-UHFFFAOYSA-N 2 1 334.467 3.595 20 30 EHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccccc1 ZINC000104155578 1024713021 /nfs/dbraw/zinc/71/30/21/1024713021.db2.gz DLGLEUNVOTVJLZ-IBGZPJMESA-N 2 1 340.471 3.505 20 30 EHEDMP N#Cc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435685170 1025069070 /nfs/dbraw/zinc/06/90/70/1025069070.db2.gz XIBILVXOQQFCHY-IBGZPJMESA-N 2 1 337.492 3.764 20 30 EHEDMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1C#N ZINC000281602232 1025260123 /nfs/dbraw/zinc/26/01/23/1025260123.db2.gz FXHVHLBGDSGRHN-UHFFFAOYSA-N 2 1 337.467 3.697 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1OC ZINC000060927266 1027000165 /nfs/dbraw/zinc/00/01/65/1027000165.db2.gz BPLBMGIYJOJQAH-UHFFFAOYSA-N 2 1 346.515 3.862 20 30 EHEDMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423371665 1028394270 /nfs/dbraw/zinc/39/42/70/1028394270.db2.gz APQBCAYILKZEPS-SCCNAQOGSA-N 2 1 325.500 3.758 20 30 EHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644841 /nfs/dbraw/zinc/64/48/41/1030644841.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644852 /nfs/dbraw/zinc/64/48/52/1030644852.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644863 /nfs/dbraw/zinc/64/48/63/1030644863.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 2 1 329.488 3.531 20 30 EHEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)c1O ZINC000173446737 1033338999 /nfs/dbraw/zinc/33/89/99/1033338999.db2.gz LHYSUOCROIOWDH-QGZVFWFLSA-N 2 1 346.515 3.683 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)c1O ZINC000173446737 1033339016 /nfs/dbraw/zinc/33/90/16/1033339016.db2.gz LHYSUOCROIOWDH-QGZVFWFLSA-N 2 1 346.515 3.683 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)c1O ZINC000173446737 1033339032 /nfs/dbraw/zinc/33/90/32/1033339032.db2.gz LHYSUOCROIOWDH-QGZVFWFLSA-N 2 1 346.515 3.683 20 30 EHEDMP C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000595334132 1033733300 /nfs/dbraw/zinc/73/33/00/1033733300.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 2 1 333.479 3.555 20 30 EHEDMP C[NH+](CCc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595334132 1033733310 /nfs/dbraw/zinc/73/33/10/1033733310.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 2 1 333.479 3.555 20 30 EHEDMP C[C@H](NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789426 1038850119 /nfs/dbraw/zinc/85/01/19/1038850119.db2.gz OGRJWTNTVDLIEM-DOTOQJQBSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789426 1038850181 /nfs/dbraw/zinc/85/01/81/1038850181.db2.gz OGRJWTNTVDLIEM-DOTOQJQBSA-N 2 1 325.481 3.620 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000479924461 1038881834 /nfs/dbraw/zinc/88/18/34/1038881834.db2.gz NIBXOQHBPYMLKC-UHFFFAOYSA-N 2 1 344.499 3.772 20 30 EHEDMP C=CCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000668552842 1039571779 /nfs/dbraw/zinc/57/17/79/1039571779.db2.gz UUIHFACZYJRDIU-UHFFFAOYSA-N 2 1 346.490 3.548 20 30 EHEDMP C=CC[C@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093603 /nfs/dbraw/zinc/09/36/03/1042093603.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 2 1 332.532 3.579 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700116 1126987215 /nfs/dbraw/zinc/98/72/15/1126987215.db2.gz KOVHOQWBNSGUQF-FUHWJXTLSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700116 1126987217 /nfs/dbraw/zinc/98/72/17/1126987217.db2.gz KOVHOQWBNSGUQF-FUHWJXTLSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H](CC[NH2+]Cc1cccc(OCCCC#N)c1)[NH+]1CCCCC1 ZINC000184335938 1127401862 /nfs/dbraw/zinc/40/18/62/1127401862.db2.gz LJSOLNQHRNFTEG-SFHVURJKSA-N 2 1 329.488 3.723 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924615 1121262657 /nfs/dbraw/zinc/26/26/57/1121262657.db2.gz XZHLYCLCFLMYON-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924615 1121262663 /nfs/dbraw/zinc/26/26/63/1121262663.db2.gz XZHLYCLCFLMYON-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924615 1121262668 /nfs/dbraw/zinc/26/26/68/1121262668.db2.gz XZHLYCLCFLMYON-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924615 1121262675 /nfs/dbraw/zinc/26/26/75/1121262675.db2.gz XZHLYCLCFLMYON-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000921990621 1129007606 /nfs/dbraw/zinc/00/76/06/1129007606.db2.gz IKJAJYLOXOHCCW-MISYRCLQSA-N 2 1 337.492 3.620 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000921990621 1129007610 /nfs/dbraw/zinc/00/76/10/1129007610.db2.gz IKJAJYLOXOHCCW-MISYRCLQSA-N 2 1 337.492 3.620 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000152992145 1125413629 /nfs/dbraw/zinc/41/36/29/1125413629.db2.gz ZYOKPPFWYXGPHX-NQIIRXRSSA-N 2 1 333.564 3.660 20 30 EHEDMP C[C@H]1C[C@H](NCc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000080338262 1129348113 /nfs/dbraw/zinc/34/81/13/1129348113.db2.gz SYVRAHRYAYKLCR-MAUKXSAKSA-N 2 1 325.481 3.762 20 30 EHEDMP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000080338262 1129348115 /nfs/dbraw/zinc/34/81/15/1129348115.db2.gz SYVRAHRYAYKLCR-MAUKXSAKSA-N 2 1 325.481 3.762 20 30 EHEDMP C=CCOCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348040397 1131134944 /nfs/dbraw/zinc/13/49/44/1131134944.db2.gz VKZICFXSHLOFAE-NRFANRHFSA-N 2 1 328.500 3.567 20 30 EHEDMP C=CCOCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000348040397 1131134947 /nfs/dbraw/zinc/13/49/47/1131134947.db2.gz VKZICFXSHLOFAE-NRFANRHFSA-N 2 1 328.500 3.567 20 30 EHEDMP C=CCOCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000348040397 1131134950 /nfs/dbraw/zinc/13/49/50/1131134950.db2.gz VKZICFXSHLOFAE-NRFANRHFSA-N 2 1 328.500 3.567 20 30 EHEDMP C=CCn1c2ccccc2n(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000738077352 1131460190 /nfs/dbraw/zinc/46/01/90/1131460190.db2.gz SQKJGUQTNZECLU-UHFFFAOYSA-N 2 1 344.528 3.589 20 30 EHEDMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928078 1131909361 /nfs/dbraw/zinc/90/93/61/1131909361.db2.gz IQOSNZLXQBEPIN-XSDIEEQYSA-N 2 1 341.499 3.588 20 30 EHEDMP CC1(C#N)CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591187 1132096584 /nfs/dbraw/zinc/09/65/84/1132096584.db2.gz KCOSFIHOOLHGTR-RTWGARKQSA-N 2 1 326.488 3.626 20 30 EHEDMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598013 1132100924 /nfs/dbraw/zinc/10/09/24/1132100924.db2.gz LYMQQGVUQBFBCK-QNGMFEMESA-N 2 1 325.500 3.913 20 30 EHEDMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598013 1132100929 /nfs/dbraw/zinc/10/09/29/1132100929.db2.gz LYMQQGVUQBFBCK-QNGMFEMESA-N 2 1 325.500 3.913 20 30 EHEDMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598013 1132100934 /nfs/dbraw/zinc/10/09/34/1132100934.db2.gz LYMQQGVUQBFBCK-QNGMFEMESA-N 2 1 325.500 3.913 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC001178826499 1133202328 /nfs/dbraw/zinc/20/23/28/1133202328.db2.gz DACVXJLGKAOIOK-UHFFFAOYSA-N 2 1 338.451 3.532 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC001178826499 1133202333 /nfs/dbraw/zinc/20/23/33/1133202333.db2.gz DACVXJLGKAOIOK-UHFFFAOYSA-N 2 1 338.451 3.532 20 30 EHEDMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387115 1134762502 /nfs/dbraw/zinc/76/25/02/1134762502.db2.gz QTAXKLYSLASGTJ-UHFFFAOYSA-N 2 1 325.500 3.808 20 30 EHEDMP C=C(C)CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001194051862 1135221482 /nfs/dbraw/zinc/22/14/82/1135221482.db2.gz JRAGOKVLHGNAEJ-QFIPXVFZSA-N 2 1 338.495 3.558 20 30 EHEDMP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC001194051862 1135221487 /nfs/dbraw/zinc/22/14/87/1135221487.db2.gz JRAGOKVLHGNAEJ-QFIPXVFZSA-N 2 1 338.495 3.558 20 30 EHEDMP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC001194051862 1135221495 /nfs/dbraw/zinc/22/14/95/1135221495.db2.gz JRAGOKVLHGNAEJ-QFIPXVFZSA-N 2 1 338.495 3.558 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652368 1136626928 /nfs/dbraw/zinc/62/69/28/1136626928.db2.gz ZLMNWBNPMOPBEL-CYBMUJFWSA-N 2 1 333.526 3.786 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652368 1136626930 /nfs/dbraw/zinc/62/69/30/1136626930.db2.gz ZLMNWBNPMOPBEL-CYBMUJFWSA-N 2 1 333.526 3.786 20 30 EHEDMP C#CCCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975857 1137525240 /nfs/dbraw/zinc/52/52/40/1137525240.db2.gz GTVANLZZRNPTDA-IBGZPJMESA-N 2 1 338.499 3.985 20 30 EHEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876708705 1137659420 /nfs/dbraw/zinc/65/94/20/1137659420.db2.gz YSLIZBQIWSBBJW-KRWDZBQOSA-N 2 1 349.906 3.860 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311977 1137744023 /nfs/dbraw/zinc/74/40/23/1137744023.db2.gz ZOPIHRCNCDTRLK-IYWMVGAKSA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@H]1C#N ZINC000879311977 1137744024 /nfs/dbraw/zinc/74/40/24/1137744024.db2.gz ZOPIHRCNCDTRLK-IYWMVGAKSA-N 2 1 330.520 3.795 20 30 EHEDMP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@H]1C#N ZINC000879311977 1137744025 /nfs/dbraw/zinc/74/40/25/1137744025.db2.gz ZOPIHRCNCDTRLK-IYWMVGAKSA-N 2 1 330.520 3.795 20 30 EHEDMP C=CCc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1O ZINC000093563811 1138238599 /nfs/dbraw/zinc/23/85/99/1138238599.db2.gz DXQQWDIEVFJFRZ-IBGZPJMESA-N 2 1 344.499 3.580 20 30 EHEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1O ZINC000093563811 1138238600 /nfs/dbraw/zinc/23/86/00/1138238600.db2.gz DXQQWDIEVFJFRZ-IBGZPJMESA-N 2 1 344.499 3.580 20 30 EHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130691752 1138469675 /nfs/dbraw/zinc/46/96/75/1138469675.db2.gz RVQKCPWBVRHVHM-UHFFFAOYSA-N 2 1 335.373 3.584 20 30 EHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130691752 1138469679 /nfs/dbraw/zinc/46/96/79/1138469679.db2.gz RVQKCPWBVRHVHM-UHFFFAOYSA-N 2 1 335.373 3.584 20 30 EHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196704 1140019666 /nfs/dbraw/zinc/01/96/66/1140019666.db2.gz ZFGYWMIQPMAYDA-JENIJYKNSA-N 2 1 341.499 3.893 20 30 EHEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000557543525 1014150723 /nfs/dbraw/zinc/15/07/23/1014150723.db2.gz SVMPYQMLODELRO-GUYCJALGSA-N 2 1 339.405 3.739 20 30 EHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000557543525 1014150733 /nfs/dbraw/zinc/15/07/33/1014150733.db2.gz SVMPYQMLODELRO-GUYCJALGSA-N 2 1 339.405 3.739 20 30 EHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000557543525 1014150740 /nfs/dbraw/zinc/15/07/40/1014150740.db2.gz SVMPYQMLODELRO-GUYCJALGSA-N 2 1 339.405 3.739 20 30 EHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000557543525 1014150747 /nfs/dbraw/zinc/15/07/47/1014150747.db2.gz SVMPYQMLODELRO-GUYCJALGSA-N 2 1 339.405 3.739 20 30 EHEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000067668370 1017473519 /nfs/dbraw/zinc/47/35/19/1017473519.db2.gz IQNWDSNJDFJKQF-UHFFFAOYSA-N 2 1 336.479 3.829 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000349353009 1020046781 /nfs/dbraw/zinc/04/67/81/1020046781.db2.gz RIDLCEASHWEAAM-UHFFFAOYSA-N 2 1 333.863 3.932 20 30 EHEDMP C=CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000349353009 1020046796 /nfs/dbraw/zinc/04/67/96/1020046796.db2.gz RIDLCEASHWEAAM-UHFFFAOYSA-N 2 1 333.863 3.932 20 30 EHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472307 1032904724 /nfs/dbraw/zinc/90/47/24/1032904724.db2.gz DUBNDDOGLVKFFV-CTNGQTDRSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000602472307 1032904737 /nfs/dbraw/zinc/90/47/37/1032904737.db2.gz DUBNDDOGLVKFFV-CTNGQTDRSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000602472307 1032904751 /nfs/dbraw/zinc/90/47/51/1032904751.db2.gz DUBNDDOGLVKFFV-CTNGQTDRSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000602472309 1032906414 /nfs/dbraw/zinc/90/64/14/1032906414.db2.gz DUBNDDOGLVKFFV-PZJWPPBQSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000602472309 1032906422 /nfs/dbraw/zinc/90/64/22/1032906422.db2.gz DUBNDDOGLVKFFV-PZJWPPBQSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000602472309 1032906437 /nfs/dbraw/zinc/90/64/37/1032906437.db2.gz DUBNDDOGLVKFFV-PZJWPPBQSA-N 2 1 325.500 3.914 20 30 EHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483897 1032913213 /nfs/dbraw/zinc/91/32/13/1032913213.db2.gz JUCDDDSJBBZXEH-NRSPTQNISA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000602483897 1032913236 /nfs/dbraw/zinc/91/32/36/1032913236.db2.gz JUCDDDSJBBZXEH-NRSPTQNISA-N 2 1 325.500 3.913 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477164815 1021220396 /nfs/dbraw/zinc/22/03/96/1021220396.db2.gz NQDKCWVYFNKSPH-UHFFFAOYSA-N 2 1 343.515 3.771 20 30 EHEDMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000383094073 1023025973 /nfs/dbraw/zinc/02/59/73/1023025973.db2.gz XFHNMCRTNARUNA-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000383094073 1023025989 /nfs/dbraw/zinc/02/59/89/1023025989.db2.gz XFHNMCRTNARUNA-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000383094073 1023026004 /nfs/dbraw/zinc/02/60/04/1023026004.db2.gz XFHNMCRTNARUNA-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000383094073 1023026021 /nfs/dbraw/zinc/02/60/21/1023026021.db2.gz XFHNMCRTNARUNA-HXUWFJFHSA-N 2 1 349.478 3.521 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475170 1023235663 /nfs/dbraw/zinc/23/56/63/1023235663.db2.gz SUOROFXKAQNTBF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475170 1023235666 /nfs/dbraw/zinc/23/56/66/1023235666.db2.gz SUOROFXKAQNTBF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475170 1023235673 /nfs/dbraw/zinc/23/56/73/1023235673.db2.gz SUOROFXKAQNTBF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475170 1023235679 /nfs/dbraw/zinc/23/56/79/1023235679.db2.gz SUOROFXKAQNTBF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475168 1023236366 /nfs/dbraw/zinc/23/63/66/1023236366.db2.gz SUOROFXKAQNTBF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000506475168 1023236375 /nfs/dbraw/zinc/23/63/75/1023236375.db2.gz SUOROFXKAQNTBF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475168 1023236382 /nfs/dbraw/zinc/23/63/82/1023236382.db2.gz SUOROFXKAQNTBF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000506475168 1023236391 /nfs/dbraw/zinc/23/63/91/1023236391.db2.gz SUOROFXKAQNTBF-AZUAARDMSA-N 2 1 341.499 3.523 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280905145 1024417048 /nfs/dbraw/zinc/41/70/48/1024417048.db2.gz OQKYFJGROQMKFM-SJORKVTESA-N 2 1 346.515 3.826 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000152944054 1026811727 /nfs/dbraw/zinc/81/17/27/1026811727.db2.gz BBYZHHWUFPQJLU-LJQANCHMSA-N 2 1 343.471 3.546 20 30 EHEDMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)c(F)c1 ZINC000423534248 1028487630 /nfs/dbraw/zinc/48/76/30/1028487630.db2.gz ZSTGHWQZKWZQIV-QDKFARMDSA-N 2 1 327.447 3.502 20 30 EHEDMP N#CCSCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247942626 1028830151 /nfs/dbraw/zinc/83/01/51/1028830151.db2.gz DEEXAXGBDXSLFF-VQTJNVASSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247942626 1028830170 /nfs/dbraw/zinc/83/01/70/1028830170.db2.gz DEEXAXGBDXSLFF-VQTJNVASSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247942626 1028830187 /nfs/dbraw/zinc/83/01/87/1028830187.db2.gz DEEXAXGBDXSLFF-VQTJNVASSA-N 2 1 343.540 3.620 20 30 EHEDMP N#CCCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683533 1030652598 /nfs/dbraw/zinc/65/25/98/1030652598.db2.gz PORWGGAVOHTCCC-HXUWFJFHSA-N 2 1 341.499 3.677 20 30 EHEDMP N#CCCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683533 1030652607 /nfs/dbraw/zinc/65/26/07/1030652607.db2.gz PORWGGAVOHTCCC-HXUWFJFHSA-N 2 1 341.499 3.677 20 30 EHEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595058198 1033637748 /nfs/dbraw/zinc/63/77/48/1033637748.db2.gz ZGVVYIJFPWPKQM-GCJKJVERSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043129 1036607674 /nfs/dbraw/zinc/60/76/74/1036607674.db2.gz SGUVXHPWVIAZBT-AVRDEDQJSA-N 2 1 333.479 3.895 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043129 1036607687 /nfs/dbraw/zinc/60/76/87/1036607687.db2.gz SGUVXHPWVIAZBT-AVRDEDQJSA-N 2 1 333.479 3.895 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000237567503 1039388722 /nfs/dbraw/zinc/38/87/22/1039388722.db2.gz BZCXWVQCLBUUOR-GOSISDBHSA-N 2 1 337.467 3.589 20 30 EHEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169085 1040337409 /nfs/dbraw/zinc/33/74/09/1040337409.db2.gz SHOUVGBTZPJABN-IBGZPJMESA-N 2 1 325.500 3.651 20 30 EHEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169085 1040337418 /nfs/dbraw/zinc/33/74/18/1040337418.db2.gz SHOUVGBTZPJABN-IBGZPJMESA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169085 1040337422 /nfs/dbraw/zinc/33/74/22/1040337422.db2.gz SHOUVGBTZPJABN-IBGZPJMESA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169085 1040337428 /nfs/dbraw/zinc/33/74/28/1040337428.db2.gz SHOUVGBTZPJABN-IBGZPJMESA-N 2 1 325.500 3.651 20 30 EHEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001167838680 1043047392 /nfs/dbraw/zinc/04/73/92/1043047392.db2.gz VWKXBKDSWSCNCD-QUCCMNQESA-N 2 1 343.515 3.912 20 30 EHEDMP Cc1ccc([C@@H](Cn2ccnc2)NCc2ccc(C#N)s2)c(C)c1 ZINC000344853766 1044533200 /nfs/dbraw/zinc/53/32/00/1044533200.db2.gz YUZOOPKBXSCUOH-LJQANCHMSA-N 2 1 336.464 3.964 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C#N ZINC000487876518 1121030530 /nfs/dbraw/zinc/03/05/30/1121030530.db2.gz HMDNHVUQWPTNSA-FQEVSTJZSA-N 2 1 325.500 3.955 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C#N ZINC000487876518 1121030542 /nfs/dbraw/zinc/03/05/42/1121030542.db2.gz HMDNHVUQWPTNSA-FQEVSTJZSA-N 2 1 325.500 3.955 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000921990618 1129007233 /nfs/dbraw/zinc/00/72/33/1129007233.db2.gz IKJAJYLOXOHCCW-DFQSSKMNSA-N 2 1 337.492 3.620 20 30 EHEDMP N#Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000921990618 1129007237 /nfs/dbraw/zinc/00/72/37/1129007237.db2.gz IKJAJYLOXOHCCW-DFQSSKMNSA-N 2 1 337.492 3.620 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000236689908 1123451303 /nfs/dbraw/zinc/45/13/03/1123451303.db2.gz SQMZPAWLEOKVOV-UHFFFAOYSA-N 2 1 337.305 3.888 20 30 EHEDMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000245885428 1130326740 /nfs/dbraw/zinc/32/67/40/1130326740.db2.gz LJPXXIFCOIVWDN-QZTJIDSGSA-N 2 1 349.478 3.630 20 30 EHEDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000245885428 1130326744 /nfs/dbraw/zinc/32/67/44/1130326744.db2.gz LJPXXIFCOIVWDN-QZTJIDSGSA-N 2 1 349.478 3.630 20 30 EHEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000733610833 1131061422 /nfs/dbraw/zinc/06/14/22/1131061422.db2.gz ZBHJYYUMEQEKLI-FQEVSTJZSA-N 2 1 341.499 3.533 20 30 EHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000733610833 1131061426 /nfs/dbraw/zinc/06/14/26/1131061426.db2.gz ZBHJYYUMEQEKLI-FQEVSTJZSA-N 2 1 341.499 3.533 20 30 EHEDMP C=CCOC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173308388 1132036996 /nfs/dbraw/zinc/03/69/96/1132036996.db2.gz JUYWLUQWPJOEJR-UHFFFAOYSA-N 2 1 328.500 3.754 20 30 EHEDMP C#CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000769402569 1133278185 /nfs/dbraw/zinc/27/81/85/1133278185.db2.gz KSXLEIRDWJDJMP-JOCHJYFZSA-N 2 1 348.490 3.653 20 30 EHEDMP C#CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000769402569 1133278190 /nfs/dbraw/zinc/27/81/90/1133278190.db2.gz KSXLEIRDWJDJMP-JOCHJYFZSA-N 2 1 348.490 3.653 20 30 EHEDMP C#CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000769402569 1133278195 /nfs/dbraw/zinc/27/81/95/1133278195.db2.gz KSXLEIRDWJDJMP-JOCHJYFZSA-N 2 1 348.490 3.653 20 30 EHEDMP C[C@@]1(C#N)CC[N@@H+](CCCCCCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000852686111 1136477989 /nfs/dbraw/zinc/47/79/89/1136477989.db2.gz FYTZAHVJTFGPFM-BGYRXZFFSA-N 2 1 330.520 3.798 20 30 EHEDMP C[C@@]1(C#N)CC[NH+](CCCCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686111 1136477991 /nfs/dbraw/zinc/47/79/91/1136477991.db2.gz FYTZAHVJTFGPFM-BGYRXZFFSA-N 2 1 330.520 3.798 20 30 EHEDMP C[C@@]1(C#N)CC[NH+](CCCCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686111 1136477993 /nfs/dbraw/zinc/47/79/93/1136477993.db2.gz FYTZAHVJTFGPFM-BGYRXZFFSA-N 2 1 330.520 3.798 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652369 1136626951 /nfs/dbraw/zinc/62/69/51/1136626951.db2.gz ZLMNWBNPMOPBEL-ZDUSSCGKSA-N 2 1 333.526 3.786 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000815652369 1136626952 /nfs/dbraw/zinc/62/69/52/1136626952.db2.gz ZLMNWBNPMOPBEL-ZDUSSCGKSA-N 2 1 333.526 3.786 20 30 EHEDMP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866618312 1137370283 /nfs/dbraw/zinc/37/02/83/1137370283.db2.gz YOOIOKSXMHJJAE-LXBDKUERSA-N 2 1 345.490 3.526 20 30 EHEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078152 1137463702 /nfs/dbraw/zinc/46/37/02/1137463702.db2.gz VFEPCLQUQXJLOH-MOPGFXCFSA-N 2 1 328.500 3.717 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1C#N ZINC000773086087 1137464473 /nfs/dbraw/zinc/46/44/73/1137464473.db2.gz YEPWLTYYQLWJMN-UZLBHIALSA-N 2 1 341.499 3.700 20 30 EHEDMP N#CC1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886605316 1138100992 /nfs/dbraw/zinc/10/09/92/1138100992.db2.gz NSJZSSDDCPUSHV-UPVYYXOFSA-N 2 1 337.511 3.959 20 30 EHEDMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000886712891 1138123072 /nfs/dbraw/zinc/12/30/72/1138123072.db2.gz ORUQGIIXQLSUNO-UHFFFAOYSA-N 2 1 325.500 3.938 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682000 1139924365 /nfs/dbraw/zinc/92/43/65/1139924365.db2.gz UEZPAELBUACGMK-NQIIRXRSSA-N 2 1 333.479 3.773 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000268875028 1141014919 /nfs/dbraw/zinc/01/49/19/1141014919.db2.gz LGDJITUFRMKAOB-UHFFFAOYSA-N 2 1 349.469 3.564 20 30 EHEDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000271077736 1141305398 /nfs/dbraw/zinc/30/53/98/1141305398.db2.gz PKAFBDAVMKWHDN-KMFTYDHNSA-N 2 1 325.500 3.712 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000581575659 1021103301 /nfs/dbraw/zinc/10/33/01/1021103301.db2.gz ZYNMIRRNYRZPDE-AEFFLSMTSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000581575659 1021103305 /nfs/dbraw/zinc/10/33/05/1021103305.db2.gz ZYNMIRRNYRZPDE-AEFFLSMTSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000581575659 1021103306 /nfs/dbraw/zinc/10/33/06/1021103306.db2.gz ZYNMIRRNYRZPDE-AEFFLSMTSA-N 2 1 334.891 3.821 20 30 EHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000581575659 1021103308 /nfs/dbraw/zinc/10/33/08/1021103308.db2.gz ZYNMIRRNYRZPDE-AEFFLSMTSA-N 2 1 334.891 3.821 20 30 EHEDMP N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000439460737 1021445858 /nfs/dbraw/zinc/44/58/58/1021445858.db2.gz YICXPCLZZNPYRL-QFBILLFUSA-N 2 1 329.875 3.660 20 30 EHEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000518767575 1021520619 /nfs/dbraw/zinc/52/06/19/1021520619.db2.gz ITIFJTSYWZTSGI-UHFFFAOYSA-N 2 1 336.479 3.789 20 30 EHEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000518767575 1021520628 /nfs/dbraw/zinc/52/06/28/1021520628.db2.gz ITIFJTSYWZTSGI-UHFFFAOYSA-N 2 1 336.479 3.789 20 30 EHEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449734779 1033127424 /nfs/dbraw/zinc/12/74/24/1033127424.db2.gz DMATWFKMXAYWES-QRWLVFNGSA-N 2 1 329.463 3.830 20 30 EHEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425535693 1025682814 /nfs/dbraw/zinc/68/28/14/1025682814.db2.gz NWTFLMLDCGSKTA-GOSISDBHSA-N 2 1 349.478 3.583 20 30 EHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425535693 1025682820 /nfs/dbraw/zinc/68/28/20/1025682820.db2.gz NWTFLMLDCGSKTA-GOSISDBHSA-N 2 1 349.478 3.583 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639276087 1026029543 /nfs/dbraw/zinc/02/95/43/1026029543.db2.gz VNFUEAWDWVPRLZ-ZSXPUABSSA-N 2 1 326.484 3.535 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639276087 1026029558 /nfs/dbraw/zinc/02/95/58/1026029558.db2.gz VNFUEAWDWVPRLZ-ZSXPUABSSA-N 2 1 326.484 3.535 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000447585007 1030319459 /nfs/dbraw/zinc/31/94/59/1030319459.db2.gz IOGSJIFSMNFLQP-BVOGOJNSSA-N 2 1 325.500 3.959 20 30 EHEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886398 1030765127 /nfs/dbraw/zinc/76/51/27/1030765127.db2.gz OTQPCHJHTHUOGG-TZIWHRDSSA-N 2 1 342.527 3.860 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594961363 1033601219 /nfs/dbraw/zinc/60/12/19/1033601219.db2.gz XVJBEIMUBAUGEP-IBGZPJMESA-N 2 1 325.500 3.699 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cc1OC ZINC000599662190 1034072556 /nfs/dbraw/zinc/07/25/56/1034072556.db2.gz ZGNXFVABICXJLF-UHFFFAOYSA-N 2 1 337.467 3.651 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603473 1036505093 /nfs/dbraw/zinc/50/50/93/1036505093.db2.gz OJORINWOZBTXOK-SJLPKXTDSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603473 1036505113 /nfs/dbraw/zinc/50/51/13/1036505113.db2.gz OJORINWOZBTXOK-SJLPKXTDSA-N 2 1 330.903 3.934 20 30 EHEDMP C=CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000668552413 1039583455 /nfs/dbraw/zinc/58/34/55/1039583455.db2.gz LNISIJMCFONPJY-ICSRJNTNSA-N 2 1 328.500 3.754 20 30 EHEDMP C=CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000668552413 1039583464 /nfs/dbraw/zinc/58/34/64/1039583464.db2.gz LNISIJMCFONPJY-ICSRJNTNSA-N 2 1 328.500 3.754 20 30 EHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466716 1040287706 /nfs/dbraw/zinc/28/77/06/1040287706.db2.gz SELLKUZPVFUBOK-SJLPKXTDSA-N 2 1 337.442 3.870 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481189252 1040465018 /nfs/dbraw/zinc/46/50/18/1040465018.db2.gz LTPRVGNUXQMWSS-DYESRHJHSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481189252 1040465027 /nfs/dbraw/zinc/46/50/27/1040465027.db2.gz LTPRVGNUXQMWSS-DYESRHJHSA-N 2 1 349.478 3.567 20 30 EHEDMP C[N@H+]1CCC[C@H](CNCc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775556 1128751141 /nfs/dbraw/zinc/75/11/41/1128751141.db2.gz GDLAPCTWXKCOOQ-PBHICJAKSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775556 1128751145 /nfs/dbraw/zinc/75/11/45/1128751145.db2.gz GDLAPCTWXKCOOQ-PBHICJAKSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775556 1128751147 /nfs/dbraw/zinc/75/11/47/1128751147.db2.gz GDLAPCTWXKCOOQ-PBHICJAKSA-N 2 1 331.510 3.854 20 30 EHEDMP CC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154983 1128905522 /nfs/dbraw/zinc/90/55/22/1128905522.db2.gz SNKMQDIIBHECMA-QFIPXVFZSA-N 2 1 333.479 3.902 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154983 1128905524 /nfs/dbraw/zinc/90/55/24/1128905524.db2.gz SNKMQDIIBHECMA-QFIPXVFZSA-N 2 1 333.479 3.902 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154983 1128905525 /nfs/dbraw/zinc/90/55/25/1128905525.db2.gz SNKMQDIIBHECMA-QFIPXVFZSA-N 2 1 333.479 3.902 20 30 EHEDMP C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763648 1128914674 /nfs/dbraw/zinc/91/46/74/1128914674.db2.gz FKZRAMJGUSZVBB-MAUKXSAKSA-N 2 1 325.481 3.620 20 30 EHEDMP Cn1c[nH+]c2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000272209447 1120569323 /nfs/dbraw/zinc/56/93/23/1120569323.db2.gz CVDOEUGNUNCLMM-UHFFFAOYSA-N 2 1 345.450 3.521 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924618 1121262694 /nfs/dbraw/zinc/26/26/94/1121262694.db2.gz XZHLYCLCFLMYON-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924618 1121262696 /nfs/dbraw/zinc/26/26/96/1121262696.db2.gz XZHLYCLCFLMYON-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924618 1121262704 /nfs/dbraw/zinc/26/27/04/1121262704.db2.gz XZHLYCLCFLMYON-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924618 1121262711 /nfs/dbraw/zinc/26/27/11/1121262711.db2.gz XZHLYCLCFLMYON-UYAOXDASSA-N 2 1 325.500 3.953 20 30 EHEDMP CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)[N@H+]2CCCC[C@H]2C)c(O)c1 ZINC000915271142 1121292234 /nfs/dbraw/zinc/29/22/34/1121292234.db2.gz LJAKIMZAWUKYMT-GPNJXQOMSA-N 2 1 331.504 3.920 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000152992364 1125413438 /nfs/dbraw/zinc/41/34/38/1125413438.db2.gz ZYOKPPFWYXGPHX-WIYYLYMNSA-N 2 1 333.564 3.660 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000246028839 1130337542 /nfs/dbraw/zinc/33/75/42/1130337542.db2.gz PELAGZWEZAEHQF-OEWRPIJISA-N 2 1 333.479 3.804 20 30 EHEDMP CC(C)OCC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172445590 1131744623 /nfs/dbraw/zinc/74/46/23/1131744623.db2.gz SDSOQEJMMDZQCA-DUXKGJEZSA-N 2 1 343.515 3.834 20 30 EHEDMP C=CCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173323151 1132045225 /nfs/dbraw/zinc/04/52/25/1132045225.db2.gz QQVXIEQCSBTSPF-FDRBHKFBSA-N 2 1 340.511 3.564 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173333515 1132050989 /nfs/dbraw/zinc/05/09/89/1132050989.db2.gz OITPCPJIUJUNDG-IKJBURDNSA-N 2 1 344.528 3.512 20 30 EHEDMP CC[C@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195986 1134711932 /nfs/dbraw/zinc/71/19/32/1134711932.db2.gz QZQLLIKDYYNPHS-NCYKPQTJSA-N 2 1 341.499 3.588 20 30 EHEDMP CC[NH+]1CCC([N@H+](C)C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389225 1134763361 /nfs/dbraw/zinc/76/33/61/1134763361.db2.gz NIBLVVZPFQUWGP-UHFFFAOYSA-N 2 1 325.500 3.807 20 30 EHEDMP CC[NH+]1CCC([N@@H+](C)C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389225 1134763367 /nfs/dbraw/zinc/76/33/67/1134763367.db2.gz NIBLVVZPFQUWGP-UHFFFAOYSA-N 2 1 325.500 3.807 20 30 EHEDMP C#CCOc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000113329476 1136697359 /nfs/dbraw/zinc/69/73/59/1136697359.db2.gz METZFIHIRYLLOY-UHFFFAOYSA-N 2 1 336.479 3.829 20 30 EHEDMP CN(CCC#N)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222290 1136950680 /nfs/dbraw/zinc/95/06/80/1136950680.db2.gz SDFGXPMMGRHAAP-NRFANRHFSA-N 2 1 340.515 3.533 20 30 EHEDMP C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000824333168 1137132598 /nfs/dbraw/zinc/13/25/98/1137132598.db2.gz TYVSWZQUZFNVSS-CBNMVNINSA-N 2 1 325.500 3.961 20 30 EHEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578374 1137310715 /nfs/dbraw/zinc/31/07/15/1137310715.db2.gz BUXNDXUDAQNNLD-PKTZIBPZSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578374 1137310717 /nfs/dbraw/zinc/31/07/17/1137310717.db2.gz BUXNDXUDAQNNLD-PKTZIBPZSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578374 1137310719 /nfs/dbraw/zinc/31/07/19/1137310719.db2.gz BUXNDXUDAQNNLD-PKTZIBPZSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578374 1137310721 /nfs/dbraw/zinc/31/07/21/1137310721.db2.gz BUXNDXUDAQNNLD-PKTZIBPZSA-N 2 1 330.475 3.622 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172307929 1137545527 /nfs/dbraw/zinc/54/55/27/1137545527.db2.gz RCIQOSQASBKHFL-RXVVDRJESA-N 2 1 325.500 3.830 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172307930 1137545692 /nfs/dbraw/zinc/54/56/92/1137545692.db2.gz RCIQOSQASBKHFL-WIYYLYMNSA-N 2 1 325.500 3.830 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172312798 1137546182 /nfs/dbraw/zinc/54/61/82/1137546182.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172312798 1137546183 /nfs/dbraw/zinc/54/61/83/1137546183.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172312798 1137546184 /nfs/dbraw/zinc/54/61/84/1137546184.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 2 1 345.490 3.553 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172311845 1137546204 /nfs/dbraw/zinc/54/62/04/1137546204.db2.gz ZHBQCRZXQJKVFC-QMMLZNLJSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172311845 1137546205 /nfs/dbraw/zinc/54/62/05/1137546205.db2.gz ZHBQCRZXQJKVFC-QMMLZNLJSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172311845 1137546206 /nfs/dbraw/zinc/54/62/06/1137546206.db2.gz ZHBQCRZXQJKVFC-QMMLZNLJSA-N 2 1 325.500 3.828 20 30 EHEDMP C[N@H+](Cc1ccc(OCC#N)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137122811 1137681925 /nfs/dbraw/zinc/68/19/25/1137681925.db2.gz TYGRPPKDBDBUHQ-UHFFFAOYSA-N 2 1 341.499 3.818 20 30 EHEDMP C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137122811 1137681926 /nfs/dbraw/zinc/68/19/26/1137681926.db2.gz TYGRPPKDBDBUHQ-UHFFFAOYSA-N 2 1 341.499 3.818 20 30 EHEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1Cc2ccccc2O1 ZINC000883173393 1137847245 /nfs/dbraw/zinc/84/72/45/1137847245.db2.gz KAWSVIJDJJCCJZ-BNDYYXHWSA-N 2 1 326.484 3.541 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000152984626 1139117840 /nfs/dbraw/zinc/11/78/40/1139117840.db2.gz BMUYAPPYCSHKIX-GOSISDBHSA-N 2 1 343.515 3.651 20 30 EHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181511346 1139911412 /nfs/dbraw/zinc/91/14/12/1139911412.db2.gz WEQLFKGIEGCPFV-MSOLQXFVSA-N 2 1 329.488 3.752 20 30 EHEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C1 ZINC000266966805 1140744753 /nfs/dbraw/zinc/74/47/53/1140744753.db2.gz BUSSCRARGWJNGS-INIZCTEOSA-N 2 1 338.455 3.547 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000135244585 1032096068 /nfs/dbraw/zinc/09/60/68/1032096068.db2.gz CQEXOCZUKMJJQX-LJQANCHMSA-N 2 1 325.500 3.938 20 30 EHEDMP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449223652 1032340283 /nfs/dbraw/zinc/34/02/83/1032340283.db2.gz GJDIVBWRFSZUJA-FNOBOGDDSA-N 2 1 325.500 3.959 20 30 EHEDMP C=C(Br)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000763435056 1123009876 /nfs/dbraw/zinc/00/98/76/1123009876.db2.gz XEVZDKZQCLTPEE-OAHLLOKOSA-N 2 1 329.326 3.872 20 30 EHEDMP C=C(Br)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763435056 1123009881 /nfs/dbraw/zinc/00/98/81/1123009881.db2.gz XEVZDKZQCLTPEE-OAHLLOKOSA-N 2 1 329.326 3.872 20 30 EHEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544251 1032953177 /nfs/dbraw/zinc/95/31/77/1032953177.db2.gz GQODPIHHVZCBIZ-ROUUACIJSA-N 2 1 335.536 3.576 20 30 EHEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602716171 1033103181 /nfs/dbraw/zinc/10/31/81/1033103181.db2.gz ADXAGUNPGFIZIE-ICSRJNTNSA-N 2 1 325.500 3.818 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000105442915 1024393937 /nfs/dbraw/zinc/39/39/37/1024393937.db2.gz XKKJDEFIIAYBCM-MRXNPFEDSA-N 2 1 343.471 3.581 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1O ZINC000173429631 1033326884 /nfs/dbraw/zinc/32/68/84/1033326884.db2.gz GOTKMAUTPRNTOZ-KRWDZBQOSA-N 2 1 346.515 3.683 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919290 1033544090 /nfs/dbraw/zinc/54/40/90/1033544090.db2.gz HHHCOBAJGJZUGZ-UHFFFAOYSA-N 2 1 333.479 3.983 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C(F)(F)F)c1 ZINC000595894606 1034024156 /nfs/dbraw/zinc/02/41/56/1034024156.db2.gz XLWNJFJEIXLEAP-INIZCTEOSA-N 2 1 325.378 3.574 20 30 EHEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000122100540 1034378700 /nfs/dbraw/zinc/37/87/00/1034378700.db2.gz LGQFYRHAPOVHED-SFHVURJKSA-N 2 1 343.515 3.690 20 30 EHEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC000164395157 1035536821 /nfs/dbraw/zinc/53/68/21/1035536821.db2.gz SUPWUJPHZYZVGZ-IBGZPJMESA-N 2 1 344.499 3.580 20 30 EHEDMP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520456 1039191933 /nfs/dbraw/zinc/19/19/33/1039191933.db2.gz ZDDQCUOAILMSCR-FYZZASKESA-N 2 1 325.500 3.817 20 30 EHEDMP C=CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000668552414 1039581842 /nfs/dbraw/zinc/58/18/42/1039581842.db2.gz LNISIJMCFONPJY-QUCCMNQESA-N 2 1 328.500 3.754 20 30 EHEDMP C=CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000668552414 1039581853 /nfs/dbraw/zinc/58/18/53/1039581853.db2.gz LNISIJMCFONPJY-QUCCMNQESA-N 2 1 328.500 3.754 20 30 EHEDMP N#Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000279498207 1044142912 /nfs/dbraw/zinc/14/29/12/1044142912.db2.gz VSHBDDSCAPPNEQ-UHFFFAOYSA-N 2 1 326.469 3.532 20 30 EHEDMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921538570 1127684561 /nfs/dbraw/zinc/68/45/61/1127684561.db2.gz AAJPLYLBQQEXCT-UHFFFAOYSA-N 2 1 343.496 3.630 20 30 EHEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000347587780 1128123071 /nfs/dbraw/zinc/12/30/71/1128123071.db2.gz WQGFWDSYRWVMLJ-UHFFFAOYSA-N 2 1 345.531 3.527 20 30 EHEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245952723 1130334611 /nfs/dbraw/zinc/33/46/11/1130334611.db2.gz CFTLICHITJUPQT-SFTDATJTSA-N 2 1 331.463 3.942 20 30 EHEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(OC)c1O ZINC001177948365 1133120780 /nfs/dbraw/zinc/12/07/80/1133120780.db2.gz HUAXHEFHNZNBRG-UHFFFAOYSA-N 2 1 344.499 3.626 20 30 EHEDMP N#CC[C@H]1CCC[N@@H+](CCCCCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000852318810 1136447847 /nfs/dbraw/zinc/44/78/47/1136447847.db2.gz CBIMIMYPNVWYKP-BGYRXZFFSA-N 2 1 330.520 3.798 20 30 EHEDMP N#CC[C@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852318810 1136447849 /nfs/dbraw/zinc/44/78/49/1136447849.db2.gz CBIMIMYPNVWYKP-BGYRXZFFSA-N 2 1 330.520 3.798 20 30 EHEDMP N#CC[C@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852318810 1136447852 /nfs/dbraw/zinc/44/78/52/1136447852.db2.gz CBIMIMYPNVWYKP-BGYRXZFFSA-N 2 1 330.520 3.798 20 30 EHEDMP C[NH+]1CCC(C2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)CC1 ZINC001143726459 1137194296 /nfs/dbraw/zinc/19/42/96/1137194296.db2.gz QSEXARIHEUVFCP-UHFFFAOYSA-N 2 1 331.891 3.765 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616068 1137369695 /nfs/dbraw/zinc/36/96/95/1137369695.db2.gz VHFRXOPBIGMCDO-NLSFWIRASA-N 2 1 345.490 3.526 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616068 1137369697 /nfs/dbraw/zinc/36/96/97/1137369697.db2.gz VHFRXOPBIGMCDO-NLSFWIRASA-N 2 1 345.490 3.526 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1F ZINC000716672061 1137488281 /nfs/dbraw/zinc/48/82/81/1137488281.db2.gz SNIOEIAVIRLVLS-JBACZVJFSA-N 2 1 349.453 3.840 20 30 EHEDMP C=C(Br)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716716567 1137488470 /nfs/dbraw/zinc/48/84/70/1137488470.db2.gz HLFIXFAWWITJTH-ULQDDVLXSA-N 2 1 335.289 3.538 20 30 EHEDMP C=C(Br)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716567 1137488472 /nfs/dbraw/zinc/48/84/72/1137488472.db2.gz HLFIXFAWWITJTH-ULQDDVLXSA-N 2 1 335.289 3.538 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172305390 1137545446 /nfs/dbraw/zinc/54/54/46/1137545446.db2.gz RYXOLWGNTVBZAN-SFHVURJKSA-N 2 1 337.511 3.830 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172307916 1137545685 /nfs/dbraw/zinc/54/56/85/1137545685.db2.gz HZDKMGCWRCYKGZ-YCRNBWNJSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172307916 1137545686 /nfs/dbraw/zinc/54/56/86/1137545686.db2.gz HZDKMGCWRCYKGZ-YCRNBWNJSA-N 2 1 347.506 3.989 20 30 EHEDMP C[NH+](C/C=C/C[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000052580247 1138046136 /nfs/dbraw/zinc/04/61/36/1138046136.db2.gz LYQQUVGVIUEEOE-ONEGZZNKSA-N 2 1 344.462 3.550 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459729986 1032434698 /nfs/dbraw/zinc/43/46/98/1032434698.db2.gz LEVFRCDIDZSEFR-VAMGGRTRSA-N 2 1 325.500 3.817 20 30 EHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000353743553 1018842732 /nfs/dbraw/zinc/84/27/32/1018842732.db2.gz CMHFJGPQBFZORA-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000353743553 1018842752 /nfs/dbraw/zinc/84/27/52/1018842752.db2.gz CMHFJGPQBFZORA-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000353743553 1018842772 /nfs/dbraw/zinc/84/27/72/1018842772.db2.gz CMHFJGPQBFZORA-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000353743553 1018842787 /nfs/dbraw/zinc/84/27/87/1018842787.db2.gz CMHFJGPQBFZORA-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602574377 1032984209 /nfs/dbraw/zinc/98/42/09/1032984209.db2.gz ZONQYPGTLCYZKA-MOPGFXCFSA-N 2 1 343.515 3.586 20 30 EHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000602606743 1033024351 /nfs/dbraw/zinc/02/43/51/1033024351.db2.gz GLHQOEOPPNCELW-CWJKEVGVSA-N 2 1 325.500 3.817 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000280776959 1022470386 /nfs/dbraw/zinc/47/03/86/1022470386.db2.gz HSGGXNBJQFLXQS-ZTNFWEORSA-N 2 1 325.456 3.813 20 30 EHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000535808575 1023660229 /nfs/dbraw/zinc/66/02/29/1023660229.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535808575 1023660233 /nfs/dbraw/zinc/66/02/33/1023660233.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535808575 1023660235 /nfs/dbraw/zinc/66/02/35/1023660235.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 2 1 326.484 3.700 20 30 EHEDMP N#CCc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434689329 1024301925 /nfs/dbraw/zinc/30/19/25/1024301925.db2.gz ALWFZZYCJHLGKJ-UHFFFAOYSA-N 2 1 334.467 3.665 20 30 EHEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187707300 1024387565 /nfs/dbraw/zinc/38/75/65/1024387565.db2.gz VVNYOORJVUNUAI-GOSISDBHSA-N 2 1 343.515 3.690 20 30 EHEDMP C=C(C)C[NH+]1CCC(NCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000106245822 1024564774 /nfs/dbraw/zinc/56/47/74/1024564774.db2.gz FNINLXGOIFMDBV-UHFFFAOYSA-N 2 1 338.499 3.619 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000611586649 1025899898 /nfs/dbraw/zinc/89/98/98/1025899898.db2.gz GTUNYTZDEZURHI-DNVJHFABSA-N 2 1 345.490 3.949 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000152984729 1026815430 /nfs/dbraw/zinc/81/54/30/1026815430.db2.gz BMUYAPPYCSHKIX-SFHVURJKSA-N 2 1 343.515 3.651 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000106246177 1027687536 /nfs/dbraw/zinc/68/75/36/1027687536.db2.gz HWDTXAHGDKKYNR-UHFFFAOYSA-N 2 1 341.268 3.718 20 30 EHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688190 1029007721 /nfs/dbraw/zinc/00/77/21/1029007721.db2.gz AYIDSWXLPMIHFO-PXNSSMCTSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688190 1029007738 /nfs/dbraw/zinc/00/77/38/1029007738.db2.gz AYIDSWXLPMIHFO-PXNSSMCTSA-N 2 1 329.488 3.531 20 30 EHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688190 1029007755 /nfs/dbraw/zinc/00/77/55/1029007755.db2.gz AYIDSWXLPMIHFO-PXNSSMCTSA-N 2 1 329.488 3.531 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000533309054 1029611435 /nfs/dbraw/zinc/61/14/35/1029611435.db2.gz UWDKSERIWSDXOT-APWZRJJASA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000533309054 1029611450 /nfs/dbraw/zinc/61/14/50/1029611450.db2.gz UWDKSERIWSDXOT-APWZRJJASA-N 2 1 343.471 3.932 20 30 EHEDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000278276727 1029910163 /nfs/dbraw/zinc/91/01/63/1029910163.db2.gz PMXUFDXEFJPHDU-JOCHJYFZSA-N 2 1 349.478 3.631 20 30 EHEDMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C#N)cc1 ZINC000278373064 1030458326 /nfs/dbraw/zinc/45/83/26/1030458326.db2.gz CJTXFPJRWWLMLL-HXUWFJFHSA-N 2 1 349.482 3.675 20 30 EHEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886396 1030765219 /nfs/dbraw/zinc/76/52/19/1030765219.db2.gz OTQPCHJHTHUOGG-FPOVZHCZSA-N 2 1 342.527 3.860 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000237496345 1031371397 /nfs/dbraw/zinc/37/13/97/1031371397.db2.gz FORUFPXQGFQKFA-IBGZPJMESA-N 2 1 328.500 3.690 20 30 EHEDMP CC(CC[NH+]1CCC[C@H](CC#N)C1)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595622892 1033905945 /nfs/dbraw/zinc/90/59/45/1033905945.db2.gz FKONODJINZBSLC-WOJBJXKFSA-N 2 1 330.520 3.654 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000090106964 1036049150 /nfs/dbraw/zinc/04/91/50/1036049150.db2.gz XUQQRCFHGPEFTL-INIZCTEOSA-N 2 1 346.434 3.782 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310111 1036354227 /nfs/dbraw/zinc/35/42/27/1036354227.db2.gz JWJBCHYMNIPAAR-CQSZACIVSA-N 2 1 339.405 3.931 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310111 1036354241 /nfs/dbraw/zinc/35/42/41/1036354241.db2.gz JWJBCHYMNIPAAR-CQSZACIVSA-N 2 1 339.405 3.931 20 30 EHEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001167838178 1043047732 /nfs/dbraw/zinc/04/77/32/1043047732.db2.gz RFWITZHAAGMPHO-WIYYLYMNSA-N 2 1 343.515 3.912 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136396646 1123693375 /nfs/dbraw/zinc/69/33/75/1123693375.db2.gz RZDSRULKRPFVIT-KNQAVFIVSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000136396646 1123693378 /nfs/dbraw/zinc/69/33/78/1123693378.db2.gz RZDSRULKRPFVIT-KNQAVFIVSA-N 2 1 341.543 3.527 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248862264 1124709476 /nfs/dbraw/zinc/70/94/76/1124709476.db2.gz PVHGEPLDNOCXLW-ZVXZJYCBSA-N 2 1 325.500 3.815 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206049 1129336014 /nfs/dbraw/zinc/33/60/14/1129336014.db2.gz LFGGYZJVDREXLT-GHTZIAJQSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206049 1129336019 /nfs/dbraw/zinc/33/60/19/1129336019.db2.gz LFGGYZJVDREXLT-GHTZIAJQSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206049 1129336024 /nfs/dbraw/zinc/33/60/24/1129336024.db2.gz LFGGYZJVDREXLT-GHTZIAJQSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206049 1129336028 /nfs/dbraw/zinc/33/60/28/1129336028.db2.gz LFGGYZJVDREXLT-GHTZIAJQSA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000766107930 1130322423 /nfs/dbraw/zinc/32/24/23/1130322423.db2.gz JIIHEMSKMQZZJU-PBHICJAKSA-N 2 1 325.481 3.859 20 30 EHEDMP C=CCOC1CCC([N@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317967 1132059571 /nfs/dbraw/zinc/05/95/71/1132059571.db2.gz SBYMZLJXKYDKLQ-SNXBXODESA-N 2 1 343.515 3.667 20 30 EHEDMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)[C@H]2C ZINC001173595285 1132099832 /nfs/dbraw/zinc/09/98/32/1132099832.db2.gz WHWSESXSCHALCZ-VXESANQCSA-N 2 1 343.519 3.572 20 30 EHEDMP C#CCOc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789768382 1134328796 /nfs/dbraw/zinc/32/87/96/1134328796.db2.gz GAMOEJOWPKGIFU-UHFFFAOYSA-N 2 1 349.478 3.611 20 30 EHEDMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195989 1134712103 /nfs/dbraw/zinc/71/21/03/1134712103.db2.gz QZQLLIKDYYNPHS-XSDIEEQYSA-N 2 1 341.499 3.588 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000815652835 1136626987 /nfs/dbraw/zinc/62/69/87/1136626987.db2.gz WEZVTCIPJFCMLH-CQSZACIVSA-N 2 1 326.456 3.650 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000815652835 1136626989 /nfs/dbraw/zinc/62/69/89/1136626989.db2.gz WEZVTCIPJFCMLH-CQSZACIVSA-N 2 1 326.456 3.650 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000865846936 1137316192 /nfs/dbraw/zinc/31/61/92/1137316192.db2.gz BGNXBTXQPQQXML-VSDWSMLSSA-N 2 1 345.490 3.668 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000865846936 1137316194 /nfs/dbraw/zinc/31/61/94/1137316194.db2.gz BGNXBTXQPQQXML-VSDWSMLSSA-N 2 1 345.490 3.668 20 30 EHEDMP N#Cc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172068353 1137534055 /nfs/dbraw/zinc/53/40/55/1137534055.db2.gz VNABQGQXIZTYFM-KOUNCHBCSA-N 2 1 346.478 3.629 20 30 EHEDMP N#Cc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172068353 1137534056 /nfs/dbraw/zinc/53/40/56/1137534056.db2.gz VNABQGQXIZTYFM-KOUNCHBCSA-N 2 1 346.478 3.629 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000121309661 1137956846 /nfs/dbraw/zinc/95/68/46/1137956846.db2.gz SWKYKXOOTBXHEF-OAQYLSRUSA-N 2 1 328.500 3.646 20 30 EHEDMP C=C(C)COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000093645075 1138239046 /nfs/dbraw/zinc/23/90/46/1138239046.db2.gz AXBANFPTCVEYJK-SJLPKXTDSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000093645075 1138239047 /nfs/dbraw/zinc/23/90/47/1138239047.db2.gz AXBANFPTCVEYJK-SJLPKXTDSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000093645075 1138239048 /nfs/dbraw/zinc/23/90/48/1138239048.db2.gz AXBANFPTCVEYJK-SJLPKXTDSA-N 2 1 332.488 3.565 20 30 EHEDMP N#Cc1cccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1F ZINC000337452968 1138573143 /nfs/dbraw/zinc/57/31/43/1138573143.db2.gz VARUOKZNJCFIRA-KRWDZBQOSA-N 2 1 338.430 3.610 20 30 EHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000353743554 1018843381 /nfs/dbraw/zinc/84/33/81/1018843381.db2.gz CMHFJGPQBFZORA-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000353743554 1018843398 /nfs/dbraw/zinc/84/33/98/1018843398.db2.gz CMHFJGPQBFZORA-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000353743554 1018843419 /nfs/dbraw/zinc/84/34/19/1018843419.db2.gz CMHFJGPQBFZORA-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000353743554 1018843432 /nfs/dbraw/zinc/84/34/32/1018843432.db2.gz CMHFJGPQBFZORA-FUHWJXTLSA-N 2 1 332.488 3.565 20 30 EHEDMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000449784034 1033212022 /nfs/dbraw/zinc/21/20/22/1033212022.db2.gz UKELKTXNMVUQKN-UHFFFAOYSA-N 2 1 325.500 3.855 20 30 EHEDMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000449784034 1033212032 /nfs/dbraw/zinc/21/20/32/1033212032.db2.gz UKELKTXNMVUQKN-UHFFFAOYSA-N 2 1 325.500 3.855 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237484180 1028652604 /nfs/dbraw/zinc/65/26/04/1028652604.db2.gz GWBDULONDLESKK-SFHVURJKSA-N 2 1 349.478 3.732 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000595055483 1033632581 /nfs/dbraw/zinc/63/25/81/1033632581.db2.gz FRJVCLQXKQFKNL-NUNAXRQHSA-N 2 1 345.490 3.886 20 30 EHEDMP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000595896639 1034023326 /nfs/dbraw/zinc/02/33/26/1034023326.db2.gz SMYBPZHBLBUKMR-WBMJQRKESA-N 2 1 325.378 3.526 20 30 EHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000595896639 1034023340 /nfs/dbraw/zinc/02/33/40/1034023340.db2.gz SMYBPZHBLBUKMR-WBMJQRKESA-N 2 1 325.378 3.526 20 30 EHEDMP N#CCc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997745 1036607417 /nfs/dbraw/zinc/60/74/17/1036607417.db2.gz QQECZSSPIGDBPY-PKTZIBPZSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997745 1036607420 /nfs/dbraw/zinc/60/74/20/1036607420.db2.gz QQECZSSPIGDBPY-PKTZIBPZSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000398997745 1036607428 /nfs/dbraw/zinc/60/74/28/1036607428.db2.gz QQECZSSPIGDBPY-PKTZIBPZSA-N 2 1 345.490 3.707 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000162839154 1042598617 /nfs/dbraw/zinc/59/86/17/1042598617.db2.gz CTDXKFVEIIQMCU-UHFFFAOYSA-N 2 1 343.471 3.546 20 30 EHEDMP C=CCc1cc(OCC)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000162839154 1042598621 /nfs/dbraw/zinc/59/86/21/1042598621.db2.gz CTDXKFVEIIQMCU-UHFFFAOYSA-N 2 1 343.471 3.546 20 30 EHEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001167833506 1043006170 /nfs/dbraw/zinc/00/61/70/1043006170.db2.gz CDMGLAHWYRLRHR-WIYYLYMNSA-N 2 1 343.515 3.912 20 30 EHEDMP N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000111391295 1128864015 /nfs/dbraw/zinc/86/40/15/1128864015.db2.gz KCSOOIAFFVKREO-FRIKZZABSA-N 2 1 331.463 3.843 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OC ZINC000237126678 1121473724 /nfs/dbraw/zinc/47/37/24/1121473724.db2.gz UONWMBCAGPGBAL-UHFFFAOYSA-N 2 1 332.488 3.616 20 30 EHEDMP N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000282125583 1121846998 /nfs/dbraw/zinc/84/69/98/1121846998.db2.gz BBTSAWYMTNMOFU-MMHUWFFVSA-N 2 1 337.511 3.817 20 30 EHEDMP C=CC[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](CC=C)C3)c2)C1 ZINC000625701030 1129985898 /nfs/dbraw/zinc/98/58/98/1129985898.db2.gz GKONBKQIYJKMOH-OALUTQOASA-N 2 1 325.500 3.878 20 30 EHEDMP CC1(C#N)CCC([N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173594465 1132099608 /nfs/dbraw/zinc/09/96/08/1132099608.db2.gz DTYXCFNDKRWZIX-WPZCVXBKSA-N 2 1 344.528 3.512 20 30 EHEDMP C=CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Cl ZINC000105442625 1135947868 /nfs/dbraw/zinc/94/78/68/1135947868.db2.gz AGUMXCUDGGUGCK-CQSZACIVSA-N 2 1 333.863 3.836 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201121 1137317274 /nfs/dbraw/zinc/31/72/74/1137317274.db2.gz IFGVCTSYMKCBME-HSQYWUDLSA-N 2 1 348.494 3.656 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616070 1137369431 /nfs/dbraw/zinc/36/94/31/1137369431.db2.gz VHFRXOPBIGMCDO-ZQMYSKGWSA-N 2 1 345.490 3.526 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616070 1137369434 /nfs/dbraw/zinc/36/94/34/1137369434.db2.gz VHFRXOPBIGMCDO-ZQMYSKGWSA-N 2 1 345.490 3.526 20 30 EHEDMP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866618310 1137369853 /nfs/dbraw/zinc/36/98/53/1137369853.db2.gz YOOIOKSXMHJJAE-HYVJGQCMSA-N 2 1 345.490 3.526 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1C#N ZINC000773073325 1137463228 /nfs/dbraw/zinc/46/32/28/1137463228.db2.gz COCBEXSHZIDOKP-OXJNMPFZSA-N 2 1 341.499 3.700 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172070452 1137529913 /nfs/dbraw/zinc/52/99/13/1137529913.db2.gz OSZZPKIKWAZDPL-DKUWSORSSA-N 2 1 346.478 3.629 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172070452 1137529914 /nfs/dbraw/zinc/52/99/14/1137529914.db2.gz OSZZPKIKWAZDPL-DKUWSORSSA-N 2 1 346.478 3.629 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172307926 1137545605 /nfs/dbraw/zinc/54/56/05/1137545605.db2.gz RCIQOSQASBKHFL-GHTZIAJQSA-N 2 1 325.500 3.830 20 30 EHEDMP CC(C)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877767454 1137688997 /nfs/dbraw/zinc/68/89/97/1137688997.db2.gz KAYDFFSOSILURS-GOSISDBHSA-N 2 1 343.515 3.777 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1Cc2ccccc2O1 ZINC000883227412 1137849427 /nfs/dbraw/zinc/84/94/27/1137849427.db2.gz QCQSLNDTPLSUJF-PYEZFCHVSA-N 2 1 326.484 3.540 20 30 EHEDMP C[C@@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000174172069 1139404122 /nfs/dbraw/zinc/40/41/22/1139404122.db2.gz AUOCKHMNZLBUJW-MJGOQNOKSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@@H]([NH+](C)CCCSCC#N)CC[N@H+]1Cc1ccccc1 ZINC000174172069 1139404124 /nfs/dbraw/zinc/40/41/24/1139404124.db2.gz AUOCKHMNZLBUJW-MJGOQNOKSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172069 1139404130 /nfs/dbraw/zinc/40/41/30/1139404130.db2.gz AUOCKHMNZLBUJW-MJGOQNOKSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)CC[NH+]1Cc1ccccc1 ZINC000174172069 1139404135 /nfs/dbraw/zinc/40/41/35/1139404135.db2.gz AUOCKHMNZLBUJW-MJGOQNOKSA-N 2 1 331.529 3.618 20 30 EHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181511368 1139911627 /nfs/dbraw/zinc/91/16/27/1139911627.db2.gz WEQLFKGIEGCPFV-ROUUACIJSA-N 2 1 329.488 3.752 20 30 EHEDMP C=CC[NH+]1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449121453 1032212867 /nfs/dbraw/zinc/21/28/67/1032212867.db2.gz HRTFIDNBRAJCDK-UHFFFAOYSA-N 2 1 335.580 3.906 20 30 EHEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000574202746 1032738497 /nfs/dbraw/zinc/73/84/97/1032738497.db2.gz IXPGFCROTSKEAN-UHFFFAOYSA-N 2 1 339.405 3.930 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000614396875 1018962323 /nfs/dbraw/zinc/96/23/23/1018962323.db2.gz WGCLBGBPYQEKBV-HXUWFJFHSA-N 2 1 325.500 3.811 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000614396875 1018962346 /nfs/dbraw/zinc/96/23/46/1018962346.db2.gz WGCLBGBPYQEKBV-HXUWFJFHSA-N 2 1 325.500 3.811 20 30 EHEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000513507149 1019749942 /nfs/dbraw/zinc/74/99/42/1019749942.db2.gz TUPQQVWOJVHUDH-XMSQKQJNSA-N 2 1 333.479 3.949 20 30 EHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535975 1032967263 /nfs/dbraw/zinc/96/72/63/1032967263.db2.gz UIWKWMPMPSACMO-AZUAARDMSA-N 2 1 347.547 3.720 20 30 EHEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000449737260 1033136959 /nfs/dbraw/zinc/13/69/59/1033136959.db2.gz RBXFNIKEGMZVGU-HNAYVOBHSA-N 2 1 329.463 3.830 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015605 1024780153 /nfs/dbraw/zinc/78/01/53/1024780153.db2.gz BWRJDQYEPQLRAT-PGRDOPGGSA-N 2 1 333.479 3.753 20 30 EHEDMP N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000281994834 1026575290 /nfs/dbraw/zinc/57/52/90/1026575290.db2.gz IKNSIHZZDQMYOG-INIZCTEOSA-N 2 1 338.430 3.610 20 30 EHEDMP N#Cc1ccc(F)c(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000281994834 1026575304 /nfs/dbraw/zinc/57/53/04/1026575304.db2.gz IKNSIHZZDQMYOG-INIZCTEOSA-N 2 1 338.430 3.610 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000237671094 1027922898 /nfs/dbraw/zinc/92/28/98/1027922898.db2.gz OWUSGPDUEDBCAN-LJQANCHMSA-N 2 1 328.500 3.833 20 30 EHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(C#N)cc1F ZINC000237132458 1028918671 /nfs/dbraw/zinc/91/86/71/1028918671.db2.gz OBWIVKSGWPCNBW-UHFFFAOYSA-N 2 1 339.458 3.945 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000424297031 1028938308 /nfs/dbraw/zinc/93/83/08/1028938308.db2.gz PPFNDNYAHXIYKP-MNVIUDHYSA-N 2 1 340.511 3.610 20 30 EHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152204 1029363681 /nfs/dbraw/zinc/36/36/81/1029363681.db2.gz AERBCPIYSZUXNQ-QMMLZNLJSA-N 2 1 343.515 3.736 20 30 EHEDMP C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1ccnc1 ZINC000245605172 1030158530 /nfs/dbraw/zinc/15/85/30/1030158530.db2.gz NBWVSMAZZMABMX-MAUKXSAKSA-N 2 1 347.384 3.837 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000447585006 1030317360 /nfs/dbraw/zinc/31/73/60/1030317360.db2.gz IOGSJIFSMNFLQP-AYWYSENESA-N 2 1 325.500 3.959 20 30 EHEDMP C[N@@H+](CCCC(C)(C)C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821044 1030524206 /nfs/dbraw/zinc/52/42/06/1030524206.db2.gz JHEXMKSJCFTAJY-UHFFFAOYSA-N 2 1 328.504 3.950 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000152992255 1030890371 /nfs/dbraw/zinc/89/03/71/1030890371.db2.gz ZYOKPPFWYXGPHX-RXVVDRJESA-N 2 1 333.564 3.660 20 30 EHEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC#Cc1ccccc1 ZINC000483730057 1031307161 /nfs/dbraw/zinc/30/71/61/1031307161.db2.gz PJHKRMTUOMUORC-PMACEKPBSA-N 2 1 332.491 3.784 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594956715 1033598829 /nfs/dbraw/zinc/59/88/29/1033598829.db2.gz ZDQIDFOWCFSUFU-XMSQKQJNSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594956715 1033598841 /nfs/dbraw/zinc/59/88/41/1033598841.db2.gz ZDQIDFOWCFSUFU-XMSQKQJNSA-N 2 1 333.479 3.743 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055782 1033634622 /nfs/dbraw/zinc/63/46/22/1033634622.db2.gz JLJBAWPSSRVWAF-PGRDOPGGSA-N 2 1 333.479 3.601 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055782 1033634631 /nfs/dbraw/zinc/63/46/31/1033634631.db2.gz JLJBAWPSSRVWAF-PGRDOPGGSA-N 2 1 333.479 3.601 20 30 EHEDMP CC[N@@H+](CCc1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000595334187 1033733835 /nfs/dbraw/zinc/73/38/35/1033733835.db2.gz NDDTYKCWDFWBAQ-UHFFFAOYSA-N 2 1 348.494 3.734 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595323754 1033741803 /nfs/dbraw/zinc/74/18/03/1033741803.db2.gz OPENWRJYUGPWIR-WIYYLYMNSA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323754 1033741820 /nfs/dbraw/zinc/74/18/20/1033741820.db2.gz OPENWRJYUGPWIR-WIYYLYMNSA-N 2 1 325.500 3.687 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595323754 1033741839 /nfs/dbraw/zinc/74/18/39/1033741839.db2.gz OPENWRJYUGPWIR-WIYYLYMNSA-N 2 1 325.500 3.687 20 30 EHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C#N)ccc1F ZINC000609029860 1033984735 /nfs/dbraw/zinc/98/47/35/1033984735.db2.gz VSFXPFLRLSRZMI-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C#N)ccc1F ZINC000609029860 1033984752 /nfs/dbraw/zinc/98/47/52/1033984752.db2.gz VSFXPFLRLSRZMI-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000589336425 1036349163 /nfs/dbraw/zinc/34/91/63/1036349163.db2.gz DNKNISPHNHCNCM-FVJLSDCUSA-N 2 1 325.500 3.893 20 30 EHEDMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000540182268 1037666231 /nfs/dbraw/zinc/66/62/31/1037666231.db2.gz SGFBDXODMMWQOL-ACAXCVFMSA-N 2 1 341.499 3.568 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463252450 1037954117 /nfs/dbraw/zinc/95/41/17/1037954117.db2.gz NESVKGXQPJHYEB-OXKPJDFFSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463252450 1037954139 /nfs/dbraw/zinc/95/41/39/1037954139.db2.gz NESVKGXQPJHYEB-OXKPJDFFSA-N 2 1 325.500 3.959 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000236914625 1040154544 /nfs/dbraw/zinc/15/45/44/1040154544.db2.gz WKABCRXPYCNOQT-UHFFFAOYSA-N 2 1 333.495 3.802 20 30 EHEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858161 1128740565 /nfs/dbraw/zinc/74/05/65/1128740565.db2.gz UKZCAWFHVVVSGR-IBGZPJMESA-N 2 1 333.479 3.999 20 30 EHEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858161 1128740567 /nfs/dbraw/zinc/74/05/67/1128740567.db2.gz UKZCAWFHVVVSGR-IBGZPJMESA-N 2 1 333.479 3.999 20 30 EHEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858161 1128740569 /nfs/dbraw/zinc/74/05/69/1128740569.db2.gz UKZCAWFHVVVSGR-IBGZPJMESA-N 2 1 333.479 3.999 20 30 EHEDMP C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763651 1128914389 /nfs/dbraw/zinc/91/43/89/1128914389.db2.gz FKZRAMJGUSZVBB-YJBOKZPZSA-N 2 1 325.481 3.620 20 30 EHEDMP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120753 1128982297 /nfs/dbraw/zinc/98/22/97/1128982297.db2.gz HBIDSQLNGJEBEX-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120753 1128982299 /nfs/dbraw/zinc/98/22/99/1128982299.db2.gz HBIDSQLNGJEBEX-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120753 1128982302 /nfs/dbraw/zinc/98/23/02/1128982302.db2.gz HBIDSQLNGJEBEX-YADHBBJMSA-N 2 1 331.463 3.512 20 30 EHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309455 1131333693 /nfs/dbraw/zinc/33/36/93/1131333693.db2.gz OLHDDUQMYMKSDS-UHFFFAOYSA-N 2 1 349.906 3.795 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000282368776 1129644283 /nfs/dbraw/zinc/64/42/83/1129644283.db2.gz IFAQQPDPSVLUSF-UFYCRDLUSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000282368776 1129644285 /nfs/dbraw/zinc/64/42/85/1129644285.db2.gz IFAQQPDPSVLUSF-UFYCRDLUSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000282368772 1129644326 /nfs/dbraw/zinc/64/43/26/1129644326.db2.gz IFAQQPDPSVLUSF-AABGKKOBSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000282368772 1129644327 /nfs/dbraw/zinc/64/43/27/1129644327.db2.gz IFAQQPDPSVLUSF-AABGKKOBSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000282368778 1129644495 /nfs/dbraw/zinc/64/44/95/1129644495.db2.gz IFAQQPDPSVLUSF-ZCNNSNEGSA-N 2 1 325.500 3.959 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000282368778 1129644497 /nfs/dbraw/zinc/64/44/97/1129644497.db2.gz IFAQQPDPSVLUSF-ZCNNSNEGSA-N 2 1 325.500 3.959 20 30 EHEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001179015930 1133221834 /nfs/dbraw/zinc/22/18/34/1133221834.db2.gz REFFJCFNHILVHE-IRLDBZIGSA-N 2 1 336.479 3.686 20 30 EHEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578365 1137310678 /nfs/dbraw/zinc/31/06/78/1137310678.db2.gz BUXNDXUDAQNNLD-DHIUTWEWSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578365 1137310680 /nfs/dbraw/zinc/31/06/80/1137310680.db2.gz BUXNDXUDAQNNLD-DHIUTWEWSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578365 1137310682 /nfs/dbraw/zinc/31/06/82/1137310682.db2.gz BUXNDXUDAQNNLD-DHIUTWEWSA-N 2 1 330.475 3.622 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578365 1137310683 /nfs/dbraw/zinc/31/06/83/1137310683.db2.gz BUXNDXUDAQNNLD-DHIUTWEWSA-N 2 1 330.475 3.622 20 30 EHEDMP CC1(C)C[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171972770 1137524000 /nfs/dbraw/zinc/52/40/00/1137524000.db2.gz SJPSRNKBQFEOCW-FQEVSTJZSA-N 2 1 346.478 3.707 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172307917 1137545630 /nfs/dbraw/zinc/54/56/30/1137545630.db2.gz HZDKMGCWRCYKGZ-YYDVJCTNSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172307917 1137545631 /nfs/dbraw/zinc/54/56/31/1137545631.db2.gz HZDKMGCWRCYKGZ-YYDVJCTNSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319103 1137546728 /nfs/dbraw/zinc/54/67/28/1137546728.db2.gz KZXIUSIECAXFPK-XXBNENTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172319103 1137546730 /nfs/dbraw/zinc/54/67/30/1137546730.db2.gz KZXIUSIECAXFPK-XXBNENTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172319103 1137546731 /nfs/dbraw/zinc/54/67/31/1137546731.db2.gz KZXIUSIECAXFPK-XXBNENTESA-N 2 1 347.506 3.943 20 30 EHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883190307 1137847905 /nfs/dbraw/zinc/84/79/05/1137847905.db2.gz ZKJWADCDGFFLLN-YADHBBJMSA-N 2 1 342.527 3.797 20 30 EHEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267446590 1140792034 /nfs/dbraw/zinc/79/20/34/1140792034.db2.gz QCLAECIBSVAPCO-UHFFFAOYSA-N 2 1 327.476 3.523 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000269444982 1141109912 /nfs/dbraw/zinc/10/99/12/1141109912.db2.gz UNBIYRYNBOXLOL-MRXNPFEDSA-N 2 1 343.471 3.761 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000269444982 1141109915 /nfs/dbraw/zinc/10/99/15/1141109915.db2.gz UNBIYRYNBOXLOL-MRXNPFEDSA-N 2 1 343.471 3.761 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459729969 1032434853 /nfs/dbraw/zinc/43/48/53/1032434853.db2.gz LEVFRCDIDZSEFR-HSALFYBXSA-N 2 1 325.500 3.817 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398165804 1018985467 /nfs/dbraw/zinc/98/54/67/1018985467.db2.gz TWENGYZTYCAEQR-DYESRHJHSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398165804 1018985483 /nfs/dbraw/zinc/98/54/83/1018985483.db2.gz TWENGYZTYCAEQR-DYESRHJHSA-N 2 1 349.478 3.567 20 30 EHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)CC1 ZINC001279490457 1020867664 /nfs/dbraw/zinc/86/76/64/1020867664.db2.gz OZVOYQYQKNJEEB-OAQYLSRUSA-N 2 1 345.575 3.639 20 30 EHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)CC1 ZINC001279490457 1020867672 /nfs/dbraw/zinc/86/76/72/1020867672.db2.gz OZVOYQYQKNJEEB-OAQYLSRUSA-N 2 1 345.575 3.639 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000152986961 1026803917 /nfs/dbraw/zinc/80/39/17/1026803917.db2.gz XZZHYLJZPVXESV-MRXNPFEDSA-N 2 1 330.472 3.539 20 30 EHEDMP N#Cc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000366965606 1028464456 /nfs/dbraw/zinc/46/44/56/1028464456.db2.gz GPEZCPQHNVISBT-NUNAXRQHSA-N 2 1 345.490 3.886 20 30 EHEDMP N#Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583084129 1028774616 /nfs/dbraw/zinc/77/46/16/1028774616.db2.gz XOGLXWUJOROWAP-JOCHJYFZSA-N 2 1 345.490 3.888 20 30 EHEDMP N#Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583084129 1028774627 /nfs/dbraw/zinc/77/46/27/1028774627.db2.gz XOGLXWUJOROWAP-JOCHJYFZSA-N 2 1 345.490 3.888 20 30 EHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424323471 1028971438 /nfs/dbraw/zinc/97/14/38/1028971438.db2.gz JEFRZBUOYHQPPG-QMCAAQAGSA-N 2 1 337.511 3.959 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000533309055 1029611830 /nfs/dbraw/zinc/61/18/30/1029611830.db2.gz UWDKSERIWSDXOT-LPHOPBHVSA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000533309055 1029611835 /nfs/dbraw/zinc/61/18/35/1029611835.db2.gz UWDKSERIWSDXOT-LPHOPBHVSA-N 2 1 343.471 3.932 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000453371453 1030188151 /nfs/dbraw/zinc/18/81/51/1030188151.db2.gz GHZMIFWVUHMIFS-WKCHPHFGSA-N 2 1 349.453 3.983 20 30 EHEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000453371453 1030188163 /nfs/dbraw/zinc/18/81/63/1030188163.db2.gz GHZMIFWVUHMIFS-WKCHPHFGSA-N 2 1 349.453 3.983 20 30 EHEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246483149 1030512113 /nfs/dbraw/zinc/51/21/13/1030512113.db2.gz OXUMRRBQDXBZHD-SIKLNZKXSA-N 2 1 338.495 3.537 20 30 EHEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246483149 1030512125 /nfs/dbraw/zinc/51/21/25/1030512125.db2.gz OXUMRRBQDXBZHD-SIKLNZKXSA-N 2 1 338.495 3.537 20 30 EHEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246483149 1030512129 /nfs/dbraw/zinc/51/21/29/1030512129.db2.gz OXUMRRBQDXBZHD-SIKLNZKXSA-N 2 1 338.495 3.537 20 30 EHEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000329445613 1030769465 /nfs/dbraw/zinc/76/94/65/1030769465.db2.gz CJAQWYKJPDHDJY-INIZCTEOSA-N 2 1 344.503 3.508 20 30 EHEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977823 1032057139 /nfs/dbraw/zinc/05/71/39/1032057139.db2.gz WMZGNJRATFNDAW-QDLKPRKASA-N 2 1 341.499 3.567 20 30 EHEDMP N#CCCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000594506051 1033407070 /nfs/dbraw/zinc/40/70/70/1033407070.db2.gz KMXWRUANGDEXLO-NHCUHLMSSA-N 2 1 341.499 3.655 20 30 EHEDMP CC(C)(C#N)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000598991712 1033644237 /nfs/dbraw/zinc/64/42/37/1033644237.db2.gz CGMIHERTIDNNST-HXUWFJFHSA-N 2 1 325.500 3.984 20 30 EHEDMP CC(C)(C#N)c1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000598991712 1033644246 /nfs/dbraw/zinc/64/42/46/1033644246.db2.gz CGMIHERTIDNNST-HXUWFJFHSA-N 2 1 325.500 3.984 20 30 EHEDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372419 1033891192 /nfs/dbraw/zinc/89/11/92/1033891192.db2.gz JLUKGHSGEAKPQM-GCJKJVERSA-N 2 1 333.479 3.867 20 30 EHEDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000599372421 1033891971 /nfs/dbraw/zinc/89/19/71/1033891971.db2.gz JLUKGHSGEAKPQM-XMSQKQJNSA-N 2 1 333.479 3.867 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000414159217 1035813562 /nfs/dbraw/zinc/81/35/62/1035813562.db2.gz AZWMYTYGXZKUCW-ZCNNSNEGSA-N 2 1 325.500 3.959 20 30 EHEDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000540182270 1037666217 /nfs/dbraw/zinc/66/62/17/1037666217.db2.gz SGFBDXODMMWQOL-SGZDXZSOSA-N 2 1 341.499 3.568 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000921619020 1127813130 /nfs/dbraw/zinc/81/31/30/1127813130.db2.gz KQTZWCFCDACFJV-KRWDZBQOSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000921619020 1127813133 /nfs/dbraw/zinc/81/31/33/1127813133.db2.gz KQTZWCFCDACFJV-KRWDZBQOSA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905649 1129221409 /nfs/dbraw/zinc/22/14/09/1129221409.db2.gz AWHONWAOHKPRBN-KRWDZBQOSA-N 2 1 337.467 3.567 20 30 EHEDMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720171 1129714975 /nfs/dbraw/zinc/71/49/75/1129714975.db2.gz PCALBSOCBNYFOC-UWJYYQICSA-N 2 1 349.478 3.567 20 30 EHEDMP COc1cccc(C[N@@H+]([C@H](C)CCCC#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172494008 1131757253 /nfs/dbraw/zinc/75/72/53/1131757253.db2.gz XGHBGNOMQSWMBL-BHIYHBOVSA-N 2 1 329.488 3.849 20 30 EHEDMP N#CCC1CCC([N@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173333438 1132049906 /nfs/dbraw/zinc/04/99/06/1132049906.db2.gz LNTAIGQYOVUAJE-YAEFEIELSA-N 2 1 326.488 3.626 20 30 EHEDMP N#CCC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001173335970 1132052193 /nfs/dbraw/zinc/05/21/93/1132052193.db2.gz ITUMYHGJPSANJG-QLOLRVAOSA-N 2 1 329.513 3.584 20 30 EHEDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)CC1 ZINC001175362514 1132649885 /nfs/dbraw/zinc/64/98/85/1132649885.db2.gz WBVNWFMDMBEOPW-OAQYLSRUSA-N 2 1 325.500 3.687 20 30 EHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC23CC[NH+](CC2)CC3)cc1 ZINC001169800576 1132854526 /nfs/dbraw/zinc/85/45/26/1132854526.db2.gz YRGWULZRNVOTGQ-HXUWFJFHSA-N 2 1 325.500 3.907 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001171179282 1137290813 /nfs/dbraw/zinc/29/08/13/1137290813.db2.gz QNAKTFIZXOLKOH-CVDCTZTESA-N 2 1 347.506 3.991 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172290378 1137548189 /nfs/dbraw/zinc/54/81/89/1137548189.db2.gz AUFCQSFHHYCESI-SFHVURJKSA-N 2 1 333.479 3.743 20 30 EHEDMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000886716206 1138124169 /nfs/dbraw/zinc/12/41/69/1138124169.db2.gz RJWYITALOMJNNZ-UHFFFAOYSA-N 2 1 325.500 3.938 20 30 EHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174275288 1139410745 /nfs/dbraw/zinc/41/07/45/1139410745.db2.gz XYCHMWQNZXNRBO-IAGOWNOFSA-N 2 1 337.467 3.919 20 30 EHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181696549 1139924990 /nfs/dbraw/zinc/92/49/90/1139924990.db2.gz NGKKDIBZMRZOHD-KRWDZBQOSA-N 2 1 337.467 3.891 20 30 EHEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271055174 1141301274 /nfs/dbraw/zinc/30/12/74/1141301274.db2.gz YUSCQBCSDMBFLF-UHFFFAOYSA-N 2 1 332.488 3.565 20 30 EHEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000904527097 1032098890 /nfs/dbraw/zinc/09/88/90/1032098890.db2.gz LRGPIOKKJNMPNU-QGZVFWFLSA-N 2 1 326.444 3.689 20 30 EHEDMP C=C(C)CN1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819236 1015429541 /nfs/dbraw/zinc/42/95/41/1015429541.db2.gz BIDOGDPMALNOLV-CTNGQTDRSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819236 1015429545 /nfs/dbraw/zinc/42/95/45/1015429545.db2.gz BIDOGDPMALNOLV-CTNGQTDRSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819236 1015429554 /nfs/dbraw/zinc/42/95/54/1015429554.db2.gz BIDOGDPMALNOLV-CTNGQTDRSA-N 2 1 341.543 3.527 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1F ZINC000177690393 1018470433 /nfs/dbraw/zinc/47/04/33/1018470433.db2.gz NVCWPENISLXDCN-UHFFFAOYSA-N 2 1 326.400 3.543 20 30 EHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544253 1032954206 /nfs/dbraw/zinc/95/42/06/1032954206.db2.gz GQODPIHHVZCBIZ-ZWKOTPCHSA-N 2 1 335.536 3.576 20 30 EHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000895683665 1024733525 /nfs/dbraw/zinc/73/35/25/1024733525.db2.gz RKWUXVYYVMEILA-UHFFFAOYSA-N 2 1 325.500 3.940 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466717 1026632935 /nfs/dbraw/zinc/63/29/35/1026632935.db2.gz SELLKUZPVFUBOK-WMZOPIPTSA-N 2 1 337.442 3.870 20 30 EHEDMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000192920803 1026639958 /nfs/dbraw/zinc/63/99/58/1026639958.db2.gz MSWCHJTVXMCAPN-GOSISDBHSA-N 2 1 349.478 3.904 20 30 EHEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000153039502 1026966064 /nfs/dbraw/zinc/96/60/64/1026966064.db2.gz SYQJUAVLDKXBQG-GHTZIAJQSA-N 2 1 333.564 3.660 20 30 EHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000423260930 1028298208 /nfs/dbraw/zinc/29/82/08/1028298208.db2.gz ITQQGPRTLNSVKJ-KBWCOIMZSA-N 2 1 325.500 3.888 20 30 EHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000278152212 1029362534 /nfs/dbraw/zinc/36/25/34/1029362534.db2.gz AERBCPIYSZUXNQ-YYWHXJBOSA-N 2 1 343.515 3.736 20 30 EHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000657899480 1033441645 /nfs/dbraw/zinc/44/16/45/1033441645.db2.gz BFQZKDGFOVEINL-IEBWSBKVSA-N 2 1 328.504 3.787 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595476421 1033823601 /nfs/dbraw/zinc/82/36/01/1033823601.db2.gz LSYVDJQYCKPZSB-QFIPXVFZSA-N 2 1 347.506 3.991 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595476421 1033823618 /nfs/dbraw/zinc/82/36/18/1033823618.db2.gz LSYVDJQYCKPZSB-QFIPXVFZSA-N 2 1 347.506 3.991 20 30 EHEDMP CC1(C)C[N@@H+](CCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596590229 1034307324 /nfs/dbraw/zinc/30/73/24/1034307324.db2.gz DQSVFXXZXOGEHC-HXUWFJFHSA-N 2 1 325.500 3.913 20 30 EHEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311062420 1036950430 /nfs/dbraw/zinc/95/04/30/1036950430.db2.gz XKDOXGQBKCXXDZ-HXUWFJFHSA-N 2 1 336.479 3.863 20 30 EHEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311062420 1036950448 /nfs/dbraw/zinc/95/04/48/1036950448.db2.gz XKDOXGQBKCXXDZ-HXUWFJFHSA-N 2 1 336.479 3.863 20 30 EHEDMP C=CCCC[C@@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449704 1039185304 /nfs/dbraw/zinc/18/53/04/1039185304.db2.gz KHIHWRUJISRVCJ-IRLDBZIGSA-N 2 1 341.543 3.623 20 30 EHEDMP C=CCCC[C@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449706 1039185803 /nfs/dbraw/zinc/18/58/03/1039185803.db2.gz KHIHWRUJISRVCJ-UNMCSNQZSA-N 2 1 341.543 3.623 20 30 EHEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195291478 1041417391 /nfs/dbraw/zinc/41/73/91/1041417391.db2.gz PYEBCOLJACRAMR-IBGZPJMESA-N 2 1 336.483 3.552 20 30 EHEDMP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064615976 1128947605 /nfs/dbraw/zinc/94/76/05/1128947605.db2.gz IYMKLMZKKOGSBT-GOSISDBHSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064615976 1128947611 /nfs/dbraw/zinc/94/76/11/1128947611.db2.gz IYMKLMZKKOGSBT-GOSISDBHSA-N 2 1 325.481 3.622 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924617 1121263055 /nfs/dbraw/zinc/26/30/55/1121263055.db2.gz XZHLYCLCFLMYON-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924617 1121263058 /nfs/dbraw/zinc/26/30/58/1121263058.db2.gz XZHLYCLCFLMYON-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924617 1121263062 /nfs/dbraw/zinc/26/30/62/1121263062.db2.gz XZHLYCLCFLMYON-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000487924617 1121263064 /nfs/dbraw/zinc/26/30/64/1121263064.db2.gz XZHLYCLCFLMYON-QUCCMNQESA-N 2 1 325.500 3.953 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000237567451 1123775679 /nfs/dbraw/zinc/77/56/79/1123775679.db2.gz FAXQASQGRKPIIW-QGZVFWFLSA-N 2 1 329.488 3.722 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000237567451 1123775682 /nfs/dbraw/zinc/77/56/82/1123775682.db2.gz FAXQASQGRKPIIW-QGZVFWFLSA-N 2 1 329.488 3.722 20 30 EHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCSCC#N ZINC000282592917 1131100012 /nfs/dbraw/zinc/10/00/12/1131100012.db2.gz XDVVXROCXLBUNZ-GOSISDBHSA-N 2 1 331.529 3.524 20 30 EHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCSCC#N ZINC000282592917 1131100015 /nfs/dbraw/zinc/10/00/15/1131100015.db2.gz XDVVXROCXLBUNZ-GOSISDBHSA-N 2 1 331.529 3.524 20 30 EHEDMP C=CCOC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001173317835 1132060136 /nfs/dbraw/zinc/06/01/36/1132060136.db2.gz KFPNLJWUCRVTFU-UHFFFAOYSA-N 2 1 342.527 3.797 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647195 1132198505 /nfs/dbraw/zinc/19/85/05/1132198505.db2.gz KDWRNKSSTBMHNR-SIKLNZKXSA-N 2 1 348.490 3.841 20 30 EHEDMP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647195 1132198508 /nfs/dbraw/zinc/19/85/08/1132198508.db2.gz KDWRNKSSTBMHNR-SIKLNZKXSA-N 2 1 348.490 3.841 20 30 EHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1 ZINC001169710007 1132829871 /nfs/dbraw/zinc/82/98/71/1132829871.db2.gz UUYQHMVMMQHDGX-HXUWFJFHSA-N 2 1 346.478 3.850 20 30 EHEDMP C=CC[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644942 1135393886 /nfs/dbraw/zinc/39/38/86/1135393886.db2.gz YGDMRSHNVGLYJM-UHFFFAOYSA-N 2 1 341.524 3.688 20 30 EHEDMP C[NH+](C)[C@H](CNc1cc[nH+]c(CC#N)c1)c1ccc(Cl)cc1Cl ZINC001170590466 1135905767 /nfs/dbraw/zinc/90/57/67/1135905767.db2.gz UQIRMHLORRKUAV-QGZVFWFLSA-N 2 1 349.265 3.591 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652757 1136626910 /nfs/dbraw/zinc/62/69/10/1136626910.db2.gz RKGMMCIFWBPQCK-INIZCTEOSA-N 2 1 344.446 3.654 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652757 1136626908 /nfs/dbraw/zinc/62/69/08/1136626908.db2.gz RKGMMCIFWBPQCK-INIZCTEOSA-N 2 1 344.446 3.654 20 30 EHEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000113321614 1136696958 /nfs/dbraw/zinc/69/69/58/1136696958.db2.gz BHWMRUVVEUGCGP-UHFFFAOYSA-N 2 1 336.479 3.829 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222349 1137348995 /nfs/dbraw/zinc/34/89/95/1137348995.db2.gz GBIMPJKYVJLKKQ-XXBNENTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171222349 1137348997 /nfs/dbraw/zinc/34/89/97/1137348997.db2.gz GBIMPJKYVJLKKQ-XXBNENTESA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171222349 1137348999 /nfs/dbraw/zinc/34/89/99/1137348999.db2.gz GBIMPJKYVJLKKQ-XXBNENTESA-N 2 1 347.506 3.943 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC000866618387 1137370001 /nfs/dbraw/zinc/37/00/01/1137370001.db2.gz ZQWRGMOIMXEXBZ-YCRPNKLZSA-N 2 1 342.446 3.870 20 30 EHEDMP C=C(C)COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000093645077 1138239463 /nfs/dbraw/zinc/23/94/63/1138239463.db2.gz AXBANFPTCVEYJK-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000093645077 1138239464 /nfs/dbraw/zinc/23/94/64/1138239464.db2.gz AXBANFPTCVEYJK-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1OC ZINC000093645077 1138239465 /nfs/dbraw/zinc/23/94/65/1138239465.db2.gz AXBANFPTCVEYJK-AEFFLSMTSA-N 2 1 332.488 3.565 20 30 EHEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000125534647 1138311279 /nfs/dbraw/zinc/31/12/79/1138311279.db2.gz FKKQAGBQBOLGDO-OAQYLSRUSA-N 2 1 349.478 3.521 20 30 EHEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000125534647 1138311280 /nfs/dbraw/zinc/31/12/80/1138311280.db2.gz FKKQAGBQBOLGDO-OAQYLSRUSA-N 2 1 349.478 3.521 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134917860 1138712913 /nfs/dbraw/zinc/71/29/13/1138712913.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 2 1 337.511 3.936 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000153017272 1139118642 /nfs/dbraw/zinc/11/86/42/1139118642.db2.gz BCFSSYXGIUZVRU-INIZCTEOSA-N 2 1 332.488 3.533 20 30 EHEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000398103233 1018969741 /nfs/dbraw/zinc/96/97/41/1018969741.db2.gz AUGUIIJLZVEULB-LAUBAEHRSA-N 2 1 349.478 3.567 20 30 EHEDMP N#CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000602608276 1033024388 /nfs/dbraw/zinc/02/43/88/1033024388.db2.gz LSOOBGWAHOCVQD-HODLZWQNSA-N 2 1 337.511 3.959 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000280776949 1022466663 /nfs/dbraw/zinc/46/66/63/1022466663.db2.gz HSGGXNBJQFLXQS-BPAFIMBUSA-N 2 1 325.456 3.813 20 30 EHEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401453 1024673787 /nfs/dbraw/zinc/67/37/87/1024673787.db2.gz PFDIGINRNMWGHQ-GOSISDBHSA-N 2 1 325.500 3.651 20 30 EHEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401453 1024673794 /nfs/dbraw/zinc/67/37/94/1024673794.db2.gz PFDIGINRNMWGHQ-GOSISDBHSA-N 2 1 325.500 3.651 20 30 EHEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401453 1024673800 /nfs/dbraw/zinc/67/38/00/1024673800.db2.gz PFDIGINRNMWGHQ-GOSISDBHSA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401453 1024673805 /nfs/dbraw/zinc/67/38/05/1024673805.db2.gz PFDIGINRNMWGHQ-GOSISDBHSA-N 2 1 325.500 3.651 20 30 EHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000487401453 1024673814 /nfs/dbraw/zinc/67/38/14/1024673814.db2.gz PFDIGINRNMWGHQ-GOSISDBHSA-N 2 1 325.500 3.651 20 30 EHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837040 1025157220 /nfs/dbraw/zinc/15/72/20/1025157220.db2.gz BGHADJXUGPYNLD-NHCUHLMSSA-N 2 1 328.500 3.612 20 30 EHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837040 1025157223 /nfs/dbraw/zinc/15/72/23/1025157223.db2.gz BGHADJXUGPYNLD-NHCUHLMSSA-N 2 1 328.500 3.612 20 30 EHEDMP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420311949 1027460859 /nfs/dbraw/zinc/46/08/59/1027460859.db2.gz WKPGKGRQXFYHQQ-CYBMUJFWSA-N 2 1 341.268 3.576 20 30 EHEDMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)c(F)c1 ZINC000423534247 1028486801 /nfs/dbraw/zinc/48/68/01/1028486801.db2.gz ZSTGHWQZKWZQIV-OHTICNEOSA-N 2 1 327.447 3.502 20 30 EHEDMP COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183687529 1029102055 /nfs/dbraw/zinc/10/20/55/1029102055.db2.gz BWUGVSAWWTVWOA-HNNXBMFYSA-N 2 1 346.434 3.912 20 30 EHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594504424 1033406256 /nfs/dbraw/zinc/40/62/56/1033406256.db2.gz IULCZNIVDMVAKG-IBGZPJMESA-N 2 1 327.516 3.945 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000594944285 1033590659 /nfs/dbraw/zinc/59/06/59/1033590659.db2.gz SNAJBLJFYYKWFS-PKOBYXMFSA-N 2 1 337.511 3.984 20 30 EHEDMP N#Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595001841 1033628188 /nfs/dbraw/zinc/62/81/88/1033628188.db2.gz ZZLOXTPCUKOBSU-QFIPXVFZSA-N 2 1 345.490 3.950 20 30 EHEDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133577 1034555290 /nfs/dbraw/zinc/55/52/90/1034555290.db2.gz VBAYJRFJLQGBMA-UHFFFAOYSA-N 2 1 336.483 3.913 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133577 1034555296 /nfs/dbraw/zinc/55/52/96/1034555296.db2.gz VBAYJRFJLQGBMA-UHFFFAOYSA-N 2 1 336.483 3.913 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133577 1034555306 /nfs/dbraw/zinc/55/53/06/1034555306.db2.gz VBAYJRFJLQGBMA-UHFFFAOYSA-N 2 1 336.483 3.913 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)cn2)CC1)CC(C)C ZINC000581674592 1035543896 /nfs/dbraw/zinc/54/38/96/1035543896.db2.gz MXCVOLYHRVPISL-UHFFFAOYSA-N 2 1 328.504 3.533 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000399043152 1036605264 /nfs/dbraw/zinc/60/52/64/1036605264.db2.gz SGUVXHPWVIAZBT-XMSQKQJNSA-N 2 1 333.479 3.895 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399043152 1036605270 /nfs/dbraw/zinc/60/52/70/1036605270.db2.gz SGUVXHPWVIAZBT-XMSQKQJNSA-N 2 1 333.479 3.895 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272147089 1037099210 /nfs/dbraw/zinc/09/92/10/1037099210.db2.gz CQLNCIWUSFERCE-OXQOHEQNSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272147089 1037099216 /nfs/dbraw/zinc/09/92/16/1037099216.db2.gz CQLNCIWUSFERCE-OXQOHEQNSA-N 2 1 337.442 3.698 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176173 1040378544 /nfs/dbraw/zinc/37/85/44/1040378544.db2.gz OKJDVJQWNUGGSD-WIYYLYMNSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176173 1040378557 /nfs/dbraw/zinc/37/85/57/1040378557.db2.gz OKJDVJQWNUGGSD-WIYYLYMNSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176173 1040378570 /nfs/dbraw/zinc/37/85/70/1040378570.db2.gz OKJDVJQWNUGGSD-WIYYLYMNSA-N 2 1 337.511 3.936 20 30 EHEDMP CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121602304 1042809592 /nfs/dbraw/zinc/80/95/92/1042809592.db2.gz NOUIPDFSPGEKSR-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121602304 1042809599 /nfs/dbraw/zinc/80/95/99/1042809599.db2.gz NOUIPDFSPGEKSR-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121602304 1042809603 /nfs/dbraw/zinc/80/96/03/1042809603.db2.gz NOUIPDFSPGEKSR-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121602304 1042809611 /nfs/dbraw/zinc/80/96/11/1042809611.db2.gz NOUIPDFSPGEKSR-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121602304 1042809618 /nfs/dbraw/zinc/80/96/18/1042809618.db2.gz NOUIPDFSPGEKSR-LJQANCHMSA-N 2 1 337.442 3.651 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000195322366 1127477017 /nfs/dbraw/zinc/47/70/17/1127477017.db2.gz RSDACTNIQBOGKS-UHFFFAOYSA-N 2 1 344.499 3.614 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000403981012 1128672946 /nfs/dbraw/zinc/67/29/46/1128672946.db2.gz ATZPCTAHLPPODR-OXQOHEQNSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000403981019 1128673181 /nfs/dbraw/zinc/67/31/81/1128673181.db2.gz ATZPCTAHLPPODR-UZLBHIALSA-N 2 1 337.442 3.698 20 30 EHEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000065981485 1129117278 /nfs/dbraw/zinc/11/72/78/1129117278.db2.gz KXCQRCXCDCBMDY-QGZVFWFLSA-N 2 1 337.467 3.567 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282333735 1129193607 /nfs/dbraw/zinc/19/36/07/1129193607.db2.gz OHNRUDOOHWIPFZ-HXUWFJFHSA-N 2 1 334.479 3.924 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282333729 1129193650 /nfs/dbraw/zinc/19/36/50/1129193650.db2.gz OHNRUDOOHWIPFZ-FQEVSTJZSA-N 2 1 334.479 3.924 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000730019254 1130667576 /nfs/dbraw/zinc/66/75/76/1130667576.db2.gz IBOUJDPBWNYHFL-UHFFFAOYSA-N 2 1 344.528 3.747 20 30 EHEDMP COc1ccccc1C[N@@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486264 1131739678 /nfs/dbraw/zinc/73/96/78/1131739678.db2.gz COLUDBDRSITXLO-WDSOQIARSA-N 2 1 329.488 3.849 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332883 1132050550 /nfs/dbraw/zinc/05/05/50/1132050550.db2.gz VKHZFPUQGONFOE-SDEKRAFDSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332883 1132050558 /nfs/dbraw/zinc/05/05/58/1132050558.db2.gz VKHZFPUQGONFOE-SDEKRAFDSA-N 2 1 325.500 3.959 20 30 EHEDMP C=CCOC1CCC([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317582 1132060086 /nfs/dbraw/zinc/06/00/86/1132060086.db2.gz KISABQGWLWXNSW-GOHCJOFJSA-N 2 1 343.515 3.667 20 30 EHEDMP C[N@H+]1C[C@]23C[NH+](Cc4ccccc4C(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001198820402 1135859272 /nfs/dbraw/zinc/85/92/72/1135859272.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 2 1 337.511 3.796 20 30 EHEDMP C[NH+]1C[C@]23C[N@H+](Cc4ccccc4C(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001198820402 1135859274 /nfs/dbraw/zinc/85/92/74/1135859274.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 2 1 337.511 3.796 20 30 EHEDMP C[NH+]1C[C@]23C[N@@H+](Cc4ccccc4C(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001198820402 1135859277 /nfs/dbraw/zinc/85/92/77/1135859277.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 2 1 337.511 3.796 20 30 EHEDMP CCCCCCC[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001201762894 1136061359 /nfs/dbraw/zinc/06/13/59/1136061359.db2.gz YWJQGYKGJKREMM-UHFFFAOYSA-N 2 1 338.536 3.696 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815652607 1136626241 /nfs/dbraw/zinc/62/62/41/1136626241.db2.gz JOOAIJZKXZBVJK-NRFANRHFSA-N 2 1 336.479 3.611 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815652607 1136626244 /nfs/dbraw/zinc/62/62/44/1136626244.db2.gz JOOAIJZKXZBVJK-NRFANRHFSA-N 2 1 336.479 3.611 20 30 EHEDMP CN(CCC#N)c1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222293 1136950632 /nfs/dbraw/zinc/95/06/32/1136950632.db2.gz SDFGXPMMGRHAAP-OAQYLSRUSA-N 2 1 340.515 3.533 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001171222346 1137348976 /nfs/dbraw/zinc/34/89/76/1137348976.db2.gz GBIMPJKYVJLKKQ-AUSIDOKSSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171222346 1137348978 /nfs/dbraw/zinc/34/89/78/1137348978.db2.gz GBIMPJKYVJLKKQ-AUSIDOKSSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171222346 1137348980 /nfs/dbraw/zinc/34/89/80/1137348980.db2.gz GBIMPJKYVJLKKQ-AUSIDOKSSA-N 2 1 347.506 3.943 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000152985337 1139117693 /nfs/dbraw/zinc/11/76/93/1139117693.db2.gz BVIHDPKHJNLQCV-KRWDZBQOSA-N 2 1 343.515 3.651 20 30 EHEDMP C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697146 1140164320 /nfs/dbraw/zinc/16/43/20/1140164320.db2.gz RXNQFNIAODAGLW-HKUYNNGSSA-N 2 1 341.499 3.570 20 30 EHEDMP C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697114 1140164396 /nfs/dbraw/zinc/16/43/96/1140164396.db2.gz RXNQFNIAODAGLW-PKOBYXMFSA-N 2 1 341.499 3.570 20 30 EHEDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000311549321 1016823818 /nfs/dbraw/zinc/82/38/18/1016823818.db2.gz VTHRPZLPPVFUBO-FQEVSTJZSA-N 2 1 349.478 3.569 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905099040 1032344791 /nfs/dbraw/zinc/34/47/91/1032344791.db2.gz YHCURLLZPRKWSR-KRWDZBQOSA-N 2 1 343.298 3.657 20 30 EHEDMP COc1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000379636021 1019002746 /nfs/dbraw/zinc/00/27/46/1019002746.db2.gz WWBOSAOYBLMNOD-KRWDZBQOSA-N 2 1 337.467 3.567 20 30 EHEDMP COc1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000379636021 1019002755 /nfs/dbraw/zinc/00/27/55/1019002755.db2.gz WWBOSAOYBLMNOD-KRWDZBQOSA-N 2 1 337.467 3.567 20 30 EHEDMP C[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434534 1021433870 /nfs/dbraw/zinc/43/38/70/1021433870.db2.gz BVRBVRPPMFZGRJ-WMLDXEAASA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000439434534 1021433877 /nfs/dbraw/zinc/43/38/77/1021433877.db2.gz BVRBVRPPMFZGRJ-WMLDXEAASA-N 2 1 331.891 3.954 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000439434534 1021433883 /nfs/dbraw/zinc/43/38/83/1021433883.db2.gz BVRBVRPPMFZGRJ-WMLDXEAASA-N 2 1 331.891 3.954 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000510721058 1022994715 /nfs/dbraw/zinc/99/47/15/1022994715.db2.gz UHNHHMNLLTVEPA-AQTBWJFISA-N 2 1 328.500 3.866 20 30 EHEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246483184 1030511678 /nfs/dbraw/zinc/51/16/78/1030511678.db2.gz OXUMRRBQDXBZHD-UGKGYDQZSA-N 2 1 338.495 3.537 20 30 EHEDMP C#CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246483184 1030511696 /nfs/dbraw/zinc/51/16/96/1030511696.db2.gz OXUMRRBQDXBZHD-UGKGYDQZSA-N 2 1 338.495 3.537 20 30 EHEDMP C#CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246483184 1030511711 /nfs/dbraw/zinc/51/17/11/1030511711.db2.gz OXUMRRBQDXBZHD-UGKGYDQZSA-N 2 1 338.495 3.537 20 30 EHEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886395 1030764997 /nfs/dbraw/zinc/76/49/97/1030764997.db2.gz OTQPCHJHTHUOGG-CTNGQTDRSA-N 2 1 342.527 3.860 20 30 EHEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[NH+]1CCCCC1 ZINC000580803230 1035460474 /nfs/dbraw/zinc/46/04/74/1035460474.db2.gz LUCLVSUGWNHJCZ-AWEZNQCLSA-N 2 1 339.405 3.931 20 30 EHEDMP C[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000552275787 1039150988 /nfs/dbraw/zinc/15/09/88/1039150988.db2.gz ADFSKKDROFIOTK-SQNIBIBYSA-N 2 1 336.401 3.519 20 30 EHEDMP C=CCCCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512485393 1039464858 /nfs/dbraw/zinc/46/48/58/1039464858.db2.gz GZYNQOVUPRPBCP-JOCHJYFZSA-N 2 1 341.543 3.625 20 30 EHEDMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)[nH+]c1 ZINC000512623261 1040291776 /nfs/dbraw/zinc/29/17/76/1040291776.db2.gz DVOQZJHBNZENAV-HNNXBMFYSA-N 2 1 338.430 3.720 20 30 EHEDMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C#N ZINC000487876520 1121031413 /nfs/dbraw/zinc/03/14/13/1121031413.db2.gz HMDNHVUQWPTNSA-HXUWFJFHSA-N 2 1 325.500 3.955 20 30 EHEDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C#N ZINC000487876520 1121031418 /nfs/dbraw/zinc/03/14/18/1121031418.db2.gz HMDNHVUQWPTNSA-HXUWFJFHSA-N 2 1 325.500 3.955 20 30 EHEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690220 /nfs/dbraw/zinc/69/02/20/1129690220.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 2 1 331.463 3.753 20 30 EHEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690221 /nfs/dbraw/zinc/69/02/21/1129690221.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 2 1 331.463 3.753 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245689534 1130287414 /nfs/dbraw/zinc/28/74/14/1130287414.db2.gz KCSOOIAFFVKREO-KOUNCHBCSA-N 2 1 331.463 3.843 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506668 1131762170 /nfs/dbraw/zinc/76/21/70/1131762170.db2.gz ZAMHWTXZYXHCPS-GIVPXCGWSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506668 1131762176 /nfs/dbraw/zinc/76/21/76/1131762176.db2.gz ZAMHWTXZYXHCPS-GIVPXCGWSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001172506668 1131762181 /nfs/dbraw/zinc/76/21/81/1131762181.db2.gz ZAMHWTXZYXHCPS-GIVPXCGWSA-N 2 1 325.500 3.913 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000815652889 1136626592 /nfs/dbraw/zinc/62/65/92/1136626592.db2.gz ZDVLSPXWMSJAPK-KRWDZBQOSA-N 2 1 325.500 3.769 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000815652889 1136626596 /nfs/dbraw/zinc/62/65/96/1136626596.db2.gz ZDVLSPXWMSJAPK-KRWDZBQOSA-N 2 1 325.500 3.769 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815652810 1136626980 /nfs/dbraw/zinc/62/69/80/1136626980.db2.gz ULRWCXBEIVVVJF-LJQANCHMSA-N 2 1 327.516 3.673 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000815652810 1136626981 /nfs/dbraw/zinc/62/69/81/1136626981.db2.gz ULRWCXBEIVVVJF-LJQANCHMSA-N 2 1 327.516 3.673 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000113336052 1136697482 /nfs/dbraw/zinc/69/74/82/1136697482.db2.gz JSVYBOWTSJHHRB-UHFFFAOYSA-N 2 1 336.479 3.830 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001171201711 1137318114 /nfs/dbraw/zinc/31/81/14/1137318114.db2.gz QDELBDANCGKZNI-YCRNBWNJSA-N 2 1 347.506 3.989 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001171201711 1137318116 /nfs/dbraw/zinc/31/81/16/1137318116.db2.gz QDELBDANCGKZNI-YCRNBWNJSA-N 2 1 347.506 3.989 20 30 EHEDMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001172132599 1137536098 /nfs/dbraw/zinc/53/60/98/1137536098.db2.gz MAPMFGXCRYLLHC-PIIMJCKOSA-N 2 1 341.474 3.698 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303570 1137549065 /nfs/dbraw/zinc/54/90/65/1137549065.db2.gz BQJSXQSPZQARRT-ZPMCFJSWSA-N 2 1 348.494 3.656 20 30 EHEDMP C[C@H](CCC#N)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000876865937 1137664257 /nfs/dbraw/zinc/66/42/57/1137664257.db2.gz KLLKHSRCRNGGJO-QGZVFWFLSA-N 2 1 328.504 3.816 20 30 EHEDMP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000121134397 1137955303 /nfs/dbraw/zinc/95/53/03/1137955303.db2.gz ANSFYPAQFVEAKI-IBGZPJMESA-N 2 1 331.504 3.838 20 30 EHEDMP Cc1[nH]c(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886659681 1138109974 /nfs/dbraw/zinc/10/99/74/1138109974.db2.gz SJWVUGDCVJPKFF-UHFFFAOYSA-N 2 1 327.859 3.911 20 30 EHEDMP CCc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000104191366 1139198757 /nfs/dbraw/zinc/19/87/57/1139198757.db2.gz YJQJWVWQPZZPTA-GOSISDBHSA-N 2 1 340.471 3.714 20 30 EHEDMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602007119 1032591686 /nfs/dbraw/zinc/59/16/86/1032591686.db2.gz VTRYBTNIXXPGLJ-UHFFFAOYSA-N 2 1 325.431 3.829 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccco1 ZINC000276402984 1021197584 /nfs/dbraw/zinc/19/75/84/1021197584.db2.gz DOBCTNBFZAXJIQ-SFHVURJKSA-N 2 1 340.471 3.952 20 30 EHEDMP C[C@H]1C[C@H](CC[NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602577561 1032996602 /nfs/dbraw/zinc/99/66/02/1032996602.db2.gz VRPSJBSZXPRNFM-YLJXDBKYSA-N 2 1 325.500 3.959 20 30 EHEDMP N#Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1Cl ZINC001167979197 1022744463 /nfs/dbraw/zinc/74/44/63/1022744463.db2.gz XUQKCDXINADSIJ-AYHJJNSGSA-N 2 1 329.875 3.707 20 30 EHEDMP N#Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1Cl ZINC001167979197 1022744475 /nfs/dbraw/zinc/74/44/75/1022744475.db2.gz XUQKCDXINADSIJ-AYHJJNSGSA-N 2 1 329.875 3.707 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000506475364 1023234901 /nfs/dbraw/zinc/23/49/01/1023234901.db2.gz VUOAPJPWLMZUQF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475364 1023234908 /nfs/dbraw/zinc/23/49/08/1023234908.db2.gz VUOAPJPWLMZUQF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000506475364 1023234914 /nfs/dbraw/zinc/23/49/14/1023234914.db2.gz VUOAPJPWLMZUQF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475364 1023234921 /nfs/dbraw/zinc/23/49/21/1023234921.db2.gz VUOAPJPWLMZUQF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000506475364 1023234926 /nfs/dbraw/zinc/23/49/26/1023234926.db2.gz VUOAPJPWLMZUQF-QUCCMNQESA-N 2 1 341.499 3.523 20 30 EHEDMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)[nH+]1 ZINC000346149401 1024450906 /nfs/dbraw/zinc/45/09/06/1024450906.db2.gz DGPLJAQGBPJTDE-HNNXBMFYSA-N 2 1 338.430 3.720 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280953353 1024482693 /nfs/dbraw/zinc/48/26/93/1024482693.db2.gz XSSVNNGNAGAEPE-KGWSWXIGSA-N 2 1 340.511 3.753 20 30 EHEDMP C=CCC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837061 1025156340 /nfs/dbraw/zinc/15/63/40/1025156340.db2.gz BGHADJXUGPYNLD-LEWJYISDSA-N 2 1 328.500 3.612 20 30 EHEDMP C=CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000191837061 1025156348 /nfs/dbraw/zinc/15/63/48/1025156348.db2.gz BGHADJXUGPYNLD-LEWJYISDSA-N 2 1 328.500 3.612 20 30 EHEDMP CCN(Cc1ccccc1C[N@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000246108437 1027745448 /nfs/dbraw/zinc/74/54/48/1027745448.db2.gz IYUCPDSYOOEOQH-HDICACEKSA-N 2 1 326.488 3.650 20 30 EHEDMP CCN(Cc1ccccc1C[N@@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000246108437 1027745463 /nfs/dbraw/zinc/74/54/63/1027745463.db2.gz IYUCPDSYOOEOQH-HDICACEKSA-N 2 1 326.488 3.650 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C#N)ccc1OC ZINC000599660931 1034091909 /nfs/dbraw/zinc/09/19/09/1034091909.db2.gz QLGBEBZFNUFIIG-UHFFFAOYSA-N 2 1 337.467 3.651 20 30 EHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000375943681 1034980676 /nfs/dbraw/zinc/98/06/76/1034980676.db2.gz WMQBDTPQMDCNOI-HDICACEKSA-N 2 1 335.536 3.528 20 30 EHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375983249 1035057515 /nfs/dbraw/zinc/05/75/15/1035057515.db2.gz BVOJGYQPIKYURP-NDXORKPFSA-N 2 1 334.467 3.639 20 30 EHEDMP CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000614176170 1040377542 /nfs/dbraw/zinc/37/75/42/1040377542.db2.gz OKJDVJQWNUGGSD-GHTZIAJQSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000614176170 1040377561 /nfs/dbraw/zinc/37/75/61/1040377561.db2.gz OKJDVJQWNUGGSD-GHTZIAJQSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000614176170 1040377569 /nfs/dbraw/zinc/37/75/69/1040377569.db2.gz OKJDVJQWNUGGSD-GHTZIAJQSA-N 2 1 337.511 3.936 20 30 EHEDMP C=CC[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCC[NH2+]1 ZINC000662675680 1042825133 /nfs/dbraw/zinc/82/51/33/1042825133.db2.gz PRWYKXVXKFSKLA-LAUBAEHRSA-N 2 1 341.499 3.698 20 30 EHEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000404101789 1128676671 /nfs/dbraw/zinc/67/66/71/1128676671.db2.gz ZSHGYRXKZCYYBF-MRXNPFEDSA-N 2 1 325.431 3.698 20 30 EHEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000404101789 1128676672 /nfs/dbraw/zinc/67/66/72/1128676672.db2.gz ZSHGYRXKZCYYBF-MRXNPFEDSA-N 2 1 325.431 3.698 20 30 EHEDMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231028 1121102131 /nfs/dbraw/zinc/10/21/31/1121102131.db2.gz UQBUMHWOEFXPTH-PXNSSMCTSA-N 2 1 349.478 3.567 20 30 EHEDMP C[C@H]1C[C@@H](NCc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000080338268 1129348270 /nfs/dbraw/zinc/34/82/70/1129348270.db2.gz SYVRAHRYAYKLCR-YJBOKZPZSA-N 2 1 325.481 3.762 20 30 EHEDMP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000080338268 1129348275 /nfs/dbraw/zinc/34/82/75/1129348275.db2.gz SYVRAHRYAYKLCR-YJBOKZPZSA-N 2 1 325.481 3.762 20 30 EHEDMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831814 1130175897 /nfs/dbraw/zinc/17/58/97/1130175897.db2.gz SOAAKSIRBHTUBT-RXVVDRJESA-N 2 1 333.479 3.867 20 30 EHEDMP C=CCOCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348040402 1131135198 /nfs/dbraw/zinc/13/51/98/1131135198.db2.gz VKZICFXSHLOFAE-OAQYLSRUSA-N 2 1 328.500 3.567 20 30 EHEDMP C=CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000348040402 1131135200 /nfs/dbraw/zinc/13/52/00/1131135200.db2.gz VKZICFXSHLOFAE-OAQYLSRUSA-N 2 1 328.500 3.567 20 30 EHEDMP C=CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000348040402 1131135206 /nfs/dbraw/zinc/13/52/06/1131135206.db2.gz VKZICFXSHLOFAE-OAQYLSRUSA-N 2 1 328.500 3.567 20 30 EHEDMP C=CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173312299 1132037834 /nfs/dbraw/zinc/03/78/34/1132037834.db2.gz XVOYIFLHGKULTK-MWXLCCTBSA-N 2 1 328.500 3.612 20 30 EHEDMP C=CCOC1CCC([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001173326557 1132047565 /nfs/dbraw/zinc/04/75/65/1132047565.db2.gz KGKFYAZFYLQARX-ITAUSPCMSA-N 2 1 342.527 3.954 20 30 EHEDMP C=CCOC1CCC([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173326557 1132047576 /nfs/dbraw/zinc/04/75/76/1132047576.db2.gz KGKFYAZFYLQARX-ITAUSPCMSA-N 2 1 342.527 3.954 20 30 EHEDMP C=CCOC1CCC([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173326557 1132047583 /nfs/dbraw/zinc/04/75/83/1132047583.db2.gz KGKFYAZFYLQARX-ITAUSPCMSA-N 2 1 342.527 3.954 20 30 EHEDMP C=CCOC1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173319094 1132061006 /nfs/dbraw/zinc/06/10/06/1132061006.db2.gz XTACYUXCOWXMDV-UHFFFAOYSA-N 2 1 332.463 3.589 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1F ZINC000449095673 1032175118 /nfs/dbraw/zinc/17/51/18/1032175118.db2.gz AGJSJDHEWJLNKC-UHFFFAOYSA-N 2 1 326.419 3.882 20 30 EHEDMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537401367 1032704826 /nfs/dbraw/zinc/70/48/26/1032704826.db2.gz ZBBBDWNEXGCUOC-INIZCTEOSA-N 2 1 325.431 3.870 20 30 EHEDMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537401367 1032704841 /nfs/dbraw/zinc/70/48/41/1032704841.db2.gz ZBBBDWNEXGCUOC-INIZCTEOSA-N 2 1 325.431 3.870 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000728712097 1018360744 /nfs/dbraw/zinc/36/07/44/1018360744.db2.gz ZONILXIRRIOJBC-ROUUACIJSA-N 2 1 329.488 3.579 20 30 EHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535978 1032968493 /nfs/dbraw/zinc/96/84/93/1032968493.db2.gz UIWKWMPMPSACMO-UYAOXDASSA-N 2 1 347.547 3.720 20 30 EHEDMP N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000439460738 1021444957 /nfs/dbraw/zinc/44/49/57/1021444957.db2.gz YICXPCLZZNPYRL-VQIMIIECSA-N 2 1 329.875 3.660 20 30 EHEDMP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccco1 ZINC000276511214 1021552053 /nfs/dbraw/zinc/55/20/53/1021552053.db2.gz ZHRWBMLISKIRCC-IPMKNSEASA-N 2 1 332.488 3.644 20 30 EHEDMP C[C@@H](CC[NH+](C)[C@@H]1CCC[C@@H]1C#N)CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982712 1033286282 /nfs/dbraw/zinc/28/62/82/1033286282.db2.gz XENCSWUWPUNHIX-LTFPLMDUSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@H](CC[NH+](C)[C@H]1CCC[C@@H]1C#N)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982712 1033286297 /nfs/dbraw/zinc/28/62/97/1033286297.db2.gz XENCSWUWPUNHIX-LTFPLMDUSA-N 2 1 330.520 3.651 20 30 EHEDMP C[C@H](CC[NH+](C)[C@H]1CCC[C@@H]1C#N)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982712 1033286306 /nfs/dbraw/zinc/28/63/06/1033286306.db2.gz XENCSWUWPUNHIX-LTFPLMDUSA-N 2 1 330.520 3.651 20 30 EHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421338834 1028281203 /nfs/dbraw/zinc/28/12/03/1028281203.db2.gz DSDDPHSGJVQTLO-UHFFFAOYSA-N 2 1 325.431 3.827 20 30 EHEDMP CC1(C)CC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000589310155 1036356035 /nfs/dbraw/zinc/35/60/35/1036356035.db2.gz YFPQDRMSFKURJJ-UHFFFAOYSA-N 2 1 339.405 3.976 20 30 EHEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)cs1 ZINC000192853745 1036556611 /nfs/dbraw/zinc/55/66/11/1036556611.db2.gz YGWSSHYYEJUPAF-DLBZAZTESA-N 2 1 346.544 3.589 20 30 EHEDMP C=CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000668552415 1039582410 /nfs/dbraw/zinc/58/24/10/1039582410.db2.gz LNISIJMCFONPJY-UYAOXDASSA-N 2 1 328.500 3.754 20 30 EHEDMP C=CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000668552415 1039582424 /nfs/dbraw/zinc/58/24/24/1039582424.db2.gz LNISIJMCFONPJY-UYAOXDASSA-N 2 1 328.500 3.754 20 30 EHEDMP CC1CC[NH+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000570889907 1040966541 /nfs/dbraw/zinc/96/65/41/1040966541.db2.gz XWLYZFFOADSCKS-UHFFFAOYSA-N 2 1 339.405 3.789 20 30 EHEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195291488 1041417687 /nfs/dbraw/zinc/41/76/87/1041417687.db2.gz PYEBCOLJACRAMR-LJQANCHMSA-N 2 1 336.483 3.552 20 30 EHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825666 1042956520 /nfs/dbraw/zinc/95/65/20/1042956520.db2.gz SJWIGUCLWSPFNM-PZJWPPBQSA-N 2 1 349.563 3.530 20 30 EHEDMP C=CCn1c2ccccc2n(C[N@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728906562 1044105902 /nfs/dbraw/zinc/10/59/02/1044105902.db2.gz ACMHBYAYVOTTJD-UHFFFAOYSA-N 2 1 344.528 3.589 20 30 EHEDMP C=CCn1c2ccccc2n(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728906562 1044105906 /nfs/dbraw/zinc/10/59/06/1044105906.db2.gz ACMHBYAYVOTTJD-UHFFFAOYSA-N 2 1 344.528 3.589 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248862253 1124708823 /nfs/dbraw/zinc/70/88/23/1124708823.db2.gz PVHGEPLDNOCXLW-RKNHFHLDSA-N 2 1 325.500 3.815 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619054868 1125269605 /nfs/dbraw/zinc/26/96/05/1125269605.db2.gz UIVMJDYMXZGWPU-UHFFFAOYSA-N 2 1 334.467 3.779 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000152947883 1125405213 /nfs/dbraw/zinc/40/52/13/1125405213.db2.gz GLIJFKXVZDFAFW-OAHLLOKOSA-N 2 1 349.906 3.687 20 30 EHEDMP C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000080338265 1129348012 /nfs/dbraw/zinc/34/80/12/1129348012.db2.gz SYVRAHRYAYKLCR-QAPCUYQASA-N 2 1 325.481 3.762 20 30 EHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCN1Cc1ccccc1 ZINC000080338265 1129348016 /nfs/dbraw/zinc/34/80/16/1129348016.db2.gz SYVRAHRYAYKLCR-QAPCUYQASA-N 2 1 325.481 3.762 20 30 EHEDMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971032 1130335430 /nfs/dbraw/zinc/33/54/30/1130335430.db2.gz ZQTRUBKJXLPLMV-ZWKOTPCHSA-N 2 1 349.478 3.630 20 30 EHEDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1C#N ZINC000174402476 1130356876 /nfs/dbraw/zinc/35/68/76/1130356876.db2.gz IUDDFUQPRDMWDB-KRWDZBQOSA-N 2 1 349.478 3.882 20 30 EHEDMP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170197745 1134713800 /nfs/dbraw/zinc/71/38/00/1134713800.db2.gz YCOGPJJRKGELFO-XRXFAXGQSA-N 2 1 341.499 3.588 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815652608 1136626116 /nfs/dbraw/zinc/62/61/16/1136626116.db2.gz JOOAIJZKXZBVJK-OAQYLSRUSA-N 2 1 336.479 3.611 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815652608 1136626118 /nfs/dbraw/zinc/62/61/18/1136626118.db2.gz JOOAIJZKXZBVJK-OAQYLSRUSA-N 2 1 336.479 3.611 20 30 EHEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311882 /nfs/dbraw/zinc/31/18/82/1137311882.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 2 1 330.475 3.766 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311883 /nfs/dbraw/zinc/31/18/83/1137311883.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 2 1 330.475 3.766 20 30 EHEDMP C#Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311885 /nfs/dbraw/zinc/31/18/85/1137311885.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 2 1 330.475 3.766 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000865846937 1137316234 /nfs/dbraw/zinc/31/62/34/1137316234.db2.gz BGNXBTXQPQQXML-ZQMYSKGWSA-N 2 1 345.490 3.668 20 30 EHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000865846937 1137316236 /nfs/dbraw/zinc/31/62/36/1137316236.db2.gz BGNXBTXQPQQXML-ZQMYSKGWSA-N 2 1 345.490 3.668 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC000120037212 1137946105 /nfs/dbraw/zinc/94/61/05/1137946105.db2.gz ZSUBIPZDUUAETG-SFHVURJKSA-N 2 1 346.515 3.655 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000348349209 1138007153 /nfs/dbraw/zinc/00/71/53/1138007153.db2.gz JOZFJTQXFXTJPY-MRXNPFEDSA-N 2 1 330.435 3.946 20 30 EHEDMP C[NH+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886389245 1138073147 /nfs/dbraw/zinc/07/31/47/1138073147.db2.gz AHZOZINUHHFSKD-GFLQDLJJSA-N 2 1 328.504 3.546 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000135244559 1138737028 /nfs/dbraw/zinc/73/70/28/1138737028.db2.gz CQEXOCZUKMJJQX-IBGZPJMESA-N 2 1 325.500 3.938 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280534249 1020462026 /nfs/dbraw/zinc/46/20/26/1020462026.db2.gz AFPXYDZEOVUUNT-NRDMVMEKSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280534249 1020462029 /nfs/dbraw/zinc/46/20/29/1020462029.db2.gz AFPXYDZEOVUUNT-NRDMVMEKSA-N 2 1 328.500 3.610 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185324 1021114964 /nfs/dbraw/zinc/11/49/64/1021114964.db2.gz FAAHASNRUWTPKE-NRFANRHFSA-N 2 1 341.543 3.670 20 30 EHEDMP CC[N@@H+](CCC[NH2+][C@H](C)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000602697745 1033079376 /nfs/dbraw/zinc/07/93/76/1033079376.db2.gz HYXUNAZUZWEXCM-GOSISDBHSA-N 2 1 335.536 3.720 20 30 EHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000439077137 1023251346 /nfs/dbraw/zinc/25/13/46/1023251346.db2.gz KRIFNLOGEWLBIE-DYESRHJHSA-N 2 1 328.500 3.742 20 30 EHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CC1 ZINC000439077137 1023251356 /nfs/dbraw/zinc/25/13/56/1023251356.db2.gz KRIFNLOGEWLBIE-DYESRHJHSA-N 2 1 328.500 3.742 20 30 EHEDMP C=C(C)COc1cc(C[N@@H+](C)C2CC[NH+](CCC)CC2)ccc1OC ZINC000092165985 1023325469 /nfs/dbraw/zinc/32/54/69/1023325469.db2.gz RYLHAOBRMJWKRF-UHFFFAOYSA-N 2 1 346.515 3.956 20 30 EHEDMP C=C(C)COc1cc(C[N@H+](C)C2CC[NH+](CCC)CC2)ccc1OC ZINC000092165985 1023325479 /nfs/dbraw/zinc/32/54/79/1023325479.db2.gz RYLHAOBRMJWKRF-UHFFFAOYSA-N 2 1 346.515 3.956 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015602 1024780724 /nfs/dbraw/zinc/78/07/24/1024780724.db2.gz BWRJDQYEPQLRAT-AVRDEDQJSA-N 2 1 333.479 3.753 20 30 EHEDMP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C#N ZINC000119799998 1025991909 /nfs/dbraw/zinc/99/19/09/1025991909.db2.gz TYLZEUBKZZKVNE-HNNXBMFYSA-N 2 1 346.434 3.912 20 30 EHEDMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423371645 1028398829 /nfs/dbraw/zinc/39/88/29/1028398829.db2.gz APQBCAYILKZEPS-OBXNSHGQSA-N 2 1 325.500 3.758 20 30 EHEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000424297029 1028937593 /nfs/dbraw/zinc/93/75/93/1028937593.db2.gz PPFNDNYAHXIYKP-ITBHCLRTSA-N 2 1 340.511 3.610 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000594955700 1033596359 /nfs/dbraw/zinc/59/63/59/1033596359.db2.gz SIVGLKNXFPDDKH-QFIPXVFZSA-N 2 1 345.490 3.888 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000594955700 1033596362 /nfs/dbraw/zinc/59/63/62/1033596362.db2.gz SIVGLKNXFPDDKH-QFIPXVFZSA-N 2 1 345.490 3.888 20 30 EHEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000122100778 1034378791 /nfs/dbraw/zinc/37/87/91/1034378791.db2.gz LGQFYRHAPOVHED-GOSISDBHSA-N 2 1 343.515 3.690 20 30 EHEDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571604544 1035561647 /nfs/dbraw/zinc/56/16/47/1035561647.db2.gz DLPPZUJZKNUJPA-OAHLLOKOSA-N 2 1 339.405 3.787 20 30 EHEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571604544 1035561658 /nfs/dbraw/zinc/56/16/58/1035561658.db2.gz DLPPZUJZKNUJPA-OAHLLOKOSA-N 2 1 339.405 3.787 20 30 EHEDMP C[NH+](C)CC1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000582270650 1035734285 /nfs/dbraw/zinc/73/42/85/1035734285.db2.gz NHSDAODUVXUVTO-UHFFFAOYSA-N 2 1 339.405 3.789 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2nc(C[NH3+])c3ccccc32)cc1 ZINC001167701579 1037068581 /nfs/dbraw/zinc/06/85/81/1037068581.db2.gz PWISJLJKUDLEPH-FQEVSTJZSA-N 2 1 332.451 3.807 20 30 EHEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000591839146 1037647458 /nfs/dbraw/zinc/64/74/58/1037647458.db2.gz ZCIGZPBOUGJDDA-MRXNPFEDSA-N 2 1 331.423 3.640 20 30 EHEDMP C=CCC1([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551122 1039579351 /nfs/dbraw/zinc/57/93/51/1039579351.db2.gz HYDXNZRNSGDRAX-UYAOXDASSA-N 2 1 328.500 3.612 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000554924150 1039959062 /nfs/dbraw/zinc/95/90/62/1039959062.db2.gz XMEFNNQRULHMHU-UHFFFAOYSA-N 2 1 338.499 3.526 20 30 EHEDMP CC[C@@H](CC#N)NCc1cc(Cl)cc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000570461449 1039988305 /nfs/dbraw/zinc/98/83/05/1039988305.db2.gz CKZGYEPMKHPULV-ROUUACIJSA-N 2 1 332.879 3.904 20 30 EHEDMP N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060130 1040897753 /nfs/dbraw/zinc/89/77/53/1040897753.db2.gz VJYDQGSOESMCBW-LJQANCHMSA-N 2 1 341.499 3.525 20 30 EHEDMP N#Cc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060130 1040897768 /nfs/dbraw/zinc/89/77/68/1040897768.db2.gz VJYDQGSOESMCBW-LJQANCHMSA-N 2 1 341.499 3.525 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000586780270 1041015564 /nfs/dbraw/zinc/01/55/64/1041015564.db2.gz MRXIBBRCVCBQMU-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000586780270 1041015569 /nfs/dbraw/zinc/01/55/69/1041015569.db2.gz MRXIBBRCVCBQMU-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000586780270 1041015580 /nfs/dbraw/zinc/01/55/80/1041015580.db2.gz MRXIBBRCVCBQMU-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586780270 1041015593 /nfs/dbraw/zinc/01/55/93/1041015593.db2.gz MRXIBBRCVCBQMU-HSZRJFAPSA-N 2 1 345.490 3.965 20 30 EHEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000111391301 1128864211 /nfs/dbraw/zinc/86/42/11/1128864211.db2.gz CIDFHKRHVSGFMN-FRIKZZABSA-N 2 1 331.463 3.843 20 30 EHEDMP CC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154985 1128905496 /nfs/dbraw/zinc/90/54/96/1128905496.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 2 1 333.479 3.902 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154985 1128905498 /nfs/dbraw/zinc/90/54/98/1128905498.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 2 1 333.479 3.902 20 30 EHEDMP CC[NH+](Cc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154985 1128905499 /nfs/dbraw/zinc/90/54/99/1128905499.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 2 1 333.479 3.902 20 30 EHEDMP C[C@@H](NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789429 1128914824 /nfs/dbraw/zinc/91/48/24/1128914824.db2.gz OGRJWTNTVDLIEM-NVXWUHKLSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789429 1128914831 /nfs/dbraw/zinc/91/48/31/1128914831.db2.gz OGRJWTNTVDLIEM-NVXWUHKLSA-N 2 1 325.481 3.620 20 30 EHEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000733326010 1131026279 /nfs/dbraw/zinc/02/62/79/1131026279.db2.gz CTVJEMNYAOMCOV-UHFFFAOYSA-N 2 1 340.511 3.833 20 30 EHEDMP C=CCOC1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173322672 1132045910 /nfs/dbraw/zinc/04/59/10/1132045910.db2.gz FTTPCDSOZKXQSL-UHFFFAOYSA-N 2 1 332.532 3.841 20 30 EHEDMP CC(C)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC001197194002 1135657718 /nfs/dbraw/zinc/65/77/18/1135657718.db2.gz ITPVUARCWHAWGG-UHFFFAOYSA-N 2 1 332.919 3.991 20 30 EHEDMP CCCCCCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001201840146 1136069558 /nfs/dbraw/zinc/06/95/58/1136069558.db2.gz NJXLUAQTHDPESA-GOSISDBHSA-N 2 1 338.536 3.696 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC#N)cc1 ZINC000859994877 1137040027 /nfs/dbraw/zinc/04/00/27/1137040027.db2.gz GHDCTVFWYIZULM-UHFFFAOYSA-N 2 1 337.467 3.673 20 30 EHEDMP C#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001144568715 1137311207 /nfs/dbraw/zinc/31/12/07/1137311207.db2.gz CQVZJBAGHLVNCH-GOTSBHOMSA-N 2 1 330.475 3.540 20 30 EHEDMP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866618309 1137369922 /nfs/dbraw/zinc/36/99/22/1137369922.db2.gz YOOIOKSXMHJJAE-AMHTUMDSSA-N 2 1 345.490 3.526 20 30 EHEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078155 1137463617 /nfs/dbraw/zinc/46/36/17/1137463617.db2.gz VFEPCLQUQXJLOH-OALUTQOASA-N 2 1 328.500 3.717 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172319100 1137546911 /nfs/dbraw/zinc/54/69/11/1137546911.db2.gz KZXIUSIECAXFPK-AUSIDOKSSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172319100 1137546912 /nfs/dbraw/zinc/54/69/12/1137546912.db2.gz KZXIUSIECAXFPK-AUSIDOKSSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172319100 1137546913 /nfs/dbraw/zinc/54/69/13/1137546913.db2.gz KZXIUSIECAXFPK-AUSIDOKSSA-N 2 1 347.506 3.943 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172300319 1137549308 /nfs/dbraw/zinc/54/93/08/1137549308.db2.gz VFOXHPGYVYQNEA-MRXNPFEDSA-N 2 1 337.442 3.578 20 30 EHEDMP N#Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886635122 1138104221 /nfs/dbraw/zinc/10/42/21/1138104221.db2.gz WDORZVWXRAFCFR-VABKMULXSA-N 2 1 345.490 3.743 20 30 EHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000104169807 1139197402 /nfs/dbraw/zinc/19/74/02/1139197402.db2.gz KUNGTFYHROFBCB-KRWDZBQOSA-N 2 1 346.519 3.855 20 30 EHEDMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174275276 1139410319 /nfs/dbraw/zinc/41/03/19/1139410319.db2.gz XYCHMWQNZXNRBO-IRXDYDNUSA-N 2 1 337.467 3.919 20 30 EHEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(OCC#N)cc3)CC2)C1 ZINC000180559741 1139845852 /nfs/dbraw/zinc/84/58/52/1139845852.db2.gz UMRNYRFAGMUUKT-XLIONFOSSA-N 2 1 341.499 3.722 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191511832 1140469379 /nfs/dbraw/zinc/46/93/79/1140469379.db2.gz YYAQLTHEHNHDRN-GOSISDBHSA-N 2 1 332.513 3.862 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000183157948 1125458591 /nfs/dbraw/zinc/45/85/91/1125458591.db2.gz ZOQWCZCGOZZTTN-INIZCTEOSA-N 2 1 346.434 3.782 20 30 EHEDMP C=C(C)CN1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819255 1015429642 /nfs/dbraw/zinc/42/96/42/1015429642.db2.gz BIDOGDPMALNOLV-TZIWHRDSSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819255 1015429648 /nfs/dbraw/zinc/42/96/48/1015429648.db2.gz BIDOGDPMALNOLV-TZIWHRDSSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819255 1015429651 /nfs/dbraw/zinc/42/96/51/1015429651.db2.gz BIDOGDPMALNOLV-TZIWHRDSSA-N 2 1 341.543 3.527 20 30 EHEDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000592404238 1032774442 /nfs/dbraw/zinc/77/44/42/1032774442.db2.gz VSEAKGCEWNTRQT-BEVDRBHNSA-N 2 1 337.442 3.693 20 30 EHEDMP C[C@H](CCC#N)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000602668970 1033066562 /nfs/dbraw/zinc/06/65/62/1033066562.db2.gz GVVUIVOCARBYEZ-LJQANCHMSA-N 2 1 325.500 3.914 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000191515261 1024388171 /nfs/dbraw/zinc/38/81/71/1024388171.db2.gz NRQBMBCISOOXQC-UHFFFAOYSA-N 2 1 329.875 3.863 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000191515261 1024388185 /nfs/dbraw/zinc/38/81/85/1024388185.db2.gz NRQBMBCISOOXQC-UHFFFAOYSA-N 2 1 329.875 3.863 20 30 EHEDMP C[C@@H]1CC(NC(=[NH2+])c2ccc(C#N)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012540 1025121399 /nfs/dbraw/zinc/12/13/99/1025121399.db2.gz BWJHNZNWUIQJAU-QRTHJKPMSA-N 2 1 346.478 3.705 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000152983920 1026822154 /nfs/dbraw/zinc/82/21/54/1026822154.db2.gz NAMIRJSKWWLVMC-SFHVURJKSA-N 2 1 332.488 3.785 20 30 EHEDMP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000423191853 1028262207 /nfs/dbraw/zinc/26/22/07/1028262207.db2.gz UINCHCKKMQVDOY-UHFFFAOYSA-N 2 1 348.494 3.555 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246560097 1028657776 /nfs/dbraw/zinc/65/77/76/1028657776.db2.gz KXQACTLRRDQESH-GHTZIAJQSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246560097 1028657784 /nfs/dbraw/zinc/65/77/84/1028657784.db2.gz KXQACTLRRDQESH-GHTZIAJQSA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246560097 1028657786 /nfs/dbraw/zinc/65/77/86/1028657786.db2.gz KXQACTLRRDQESH-GHTZIAJQSA-N 2 1 337.511 3.936 20 30 EHEDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000121725484 1030109319 /nfs/dbraw/zinc/10/93/19/1030109319.db2.gz QAUMZTZUFHXARS-GOSISDBHSA-N 2 1 333.479 3.916 20 30 EHEDMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000594514453 1033419583 /nfs/dbraw/zinc/41/95/83/1033419583.db2.gz YDKOHKWBPYBOPY-IRLDBZIGSA-N 2 1 347.506 3.923 20 30 EHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000657899486 1033442504 /nfs/dbraw/zinc/44/25/04/1033442504.db2.gz BFQZKDGFOVEINL-MJGOQNOKSA-N 2 1 328.504 3.787 20 30 EHEDMP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000121119920 1034461057 /nfs/dbraw/zinc/46/10/57/1034461057.db2.gz WLPYTBIDVQREIV-IBGZPJMESA-N 2 1 333.545 3.998 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462784399 1037385655 /nfs/dbraw/zinc/38/56/55/1037385655.db2.gz FQVQKCCGMZSHGJ-UHFFFAOYSA-N 2 1 344.499 3.772 20 30 EHEDMP C=CCC1([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668551118 1039579836 /nfs/dbraw/zinc/57/98/36/1039579836.db2.gz HYDXNZRNSGDRAX-ICSRJNTNSA-N 2 1 328.500 3.612 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642390 1040382062 /nfs/dbraw/zinc/38/20/62/1040382062.db2.gz PEQZBZWGCAXEIH-RJGXRXQPSA-N 2 1 345.490 3.949 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185700170 1126987242 /nfs/dbraw/zinc/98/72/42/1126987242.db2.gz KOVHOQWBNSGUQF-AEFFLSMTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700170 1126987243 /nfs/dbraw/zinc/98/72/43/1126987243.db2.gz KOVHOQWBNSGUQF-AEFFLSMTSA-N 2 1 330.903 3.934 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207008 1128071155 /nfs/dbraw/zinc/07/11/55/1128071155.db2.gz HEFTXHORVNLCLC-YXUAKONQSA-N 2 1 325.500 3.817 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064615902 1128947485 /nfs/dbraw/zinc/94/74/85/1128947485.db2.gz KKXDSIGNPJMBTJ-GOSISDBHSA-N 2 1 325.481 3.622 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064615902 1128947487 /nfs/dbraw/zinc/94/74/87/1128947487.db2.gz KKXDSIGNPJMBTJ-GOSISDBHSA-N 2 1 325.481 3.622 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC#Cc1ccccc1Cl ZINC000429228347 1130082565 /nfs/dbraw/zinc/08/25/65/1130082565.db2.gz RCQSGEFURWQUQF-UHFFFAOYSA-N 2 1 329.875 3.863 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000429228347 1130082570 /nfs/dbraw/zinc/08/25/70/1130082570.db2.gz RCQSGEFURWQUQF-UHFFFAOYSA-N 2 1 329.875 3.863 20 30 EHEDMP C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169140334 1132666343 /nfs/dbraw/zinc/66/63/43/1132666343.db2.gz FRCSSUDUPSSDHK-AUUYWEPGSA-N 2 1 327.476 3.573 20 30 EHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001169592039 1132790859 /nfs/dbraw/zinc/79/08/59/1132790859.db2.gz UEALYNUIBPXOOJ-NRFANRHFSA-N 2 1 348.494 3.948 20 30 EHEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001144568713 1137311503 /nfs/dbraw/zinc/31/15/03/1137311503.db2.gz CQVZJBAGHLVNCH-DHIUTWEWSA-N 2 1 330.475 3.540 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172311846 1137546195 /nfs/dbraw/zinc/54/61/95/1137546195.db2.gz ZHBQCRZXQJKVFC-YYWHXJBOSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172311846 1137546196 /nfs/dbraw/zinc/54/61/96/1137546196.db2.gz ZHBQCRZXQJKVFC-YYWHXJBOSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172311846 1137546197 /nfs/dbraw/zinc/54/61/97/1137546197.db2.gz ZHBQCRZXQJKVFC-YYWHXJBOSA-N 2 1 325.500 3.828 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172296200 1137548729 /nfs/dbraw/zinc/54/87/29/1137548729.db2.gz GGDHOXSOJNMJJL-IBGZPJMESA-N 2 1 347.506 3.786 20 30 EHEDMP C=CCc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC000872646095 1137582431 /nfs/dbraw/zinc/58/24/31/1137582431.db2.gz YNYJMCQXMVNIRM-UHFFFAOYSA-N 2 1 344.499 3.580 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000121309481 1137956803 /nfs/dbraw/zinc/95/68/03/1137956803.db2.gz SWKYKXOOTBXHEF-NRFANRHFSA-N 2 1 328.500 3.646 20 30 EHEDMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000578473021 1016620875 /nfs/dbraw/zinc/62/08/75/1016620875.db2.gz ZBYTXUBSSVXBSP-OXJNMPFZSA-N 2 1 341.499 3.700 20 30 EHEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)C1 ZINC000549193833 1017591228 /nfs/dbraw/zinc/59/12/28/1017591228.db2.gz ASNUWEFUCZELLX-OPYAIIAOSA-N 2 1 338.499 3.698 20 30 EHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000924612945 1017873103 /nfs/dbraw/zinc/87/31/03/1017873103.db2.gz NPNDSWFOQWSXJA-OKZBNKHCSA-N 2 1 343.515 3.714 20 30 EHEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000513502201 1019760026 /nfs/dbraw/zinc/76/00/26/1019760026.db2.gz YCAZERYGCMSQHK-XMSQKQJNSA-N 2 1 333.479 3.949 20 30 EHEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000602552118 1032967163 /nfs/dbraw/zinc/96/71/63/1032967163.db2.gz SQVRSFJCFXKYMU-KRWDZBQOSA-N 2 1 325.456 3.941 20 30 EHEDMP N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972931 1022483682 /nfs/dbraw/zinc/48/36/82/1022483682.db2.gz FFAJMZXNTBOUEI-YOFSQIOKSA-N 2 1 348.494 3.592 20 30 EHEDMP CC[N@@H+](CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000602697748 1033078066 /nfs/dbraw/zinc/07/80/66/1033078066.db2.gz HYXUNAZUZWEXCM-SFHVURJKSA-N 2 1 335.536 3.720 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895685661 1024737348 /nfs/dbraw/zinc/73/73/48/1024737348.db2.gz MSYZZCNNVHFVQD-GOSISDBHSA-N 2 1 329.488 3.675 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442719538 1025453605 /nfs/dbraw/zinc/45/36/05/1025453605.db2.gz QFUOAGCVYNFCKI-BMQTXXJKSA-N 2 1 325.500 3.946 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246560105 1028657363 /nfs/dbraw/zinc/65/73/63/1028657363.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246560105 1028657368 /nfs/dbraw/zinc/65/73/68/1028657368.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 2 1 337.511 3.936 20 30 EHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246560105 1028657377 /nfs/dbraw/zinc/65/73/77/1028657377.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 2 1 337.511 3.936 20 30 EHEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742112 1030667655 /nfs/dbraw/zinc/66/76/55/1030667655.db2.gz GOXSMSFWKBTXMM-LJQANCHMSA-N 2 1 329.488 3.533 20 30 EHEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742112 1030667660 /nfs/dbraw/zinc/66/76/60/1030667660.db2.gz GOXSMSFWKBTXMM-LJQANCHMSA-N 2 1 329.488 3.533 20 30 EHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742112 1030667671 /nfs/dbraw/zinc/66/76/71/1030667671.db2.gz GOXSMSFWKBTXMM-LJQANCHMSA-N 2 1 329.488 3.533 20 30 EHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093742112 1030667681 /nfs/dbraw/zinc/66/76/81/1030667681.db2.gz GOXSMSFWKBTXMM-LJQANCHMSA-N 2 1 329.488 3.533 20 30 EHEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596059655 1034056608 /nfs/dbraw/zinc/05/66/08/1034056608.db2.gz UFOQUVAXQRGHFG-IBGZPJMESA-N 2 1 325.500 3.699 20 30 EHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(F)c1C#N ZINC000599659830 1034091547 /nfs/dbraw/zinc/09/15/47/1034091547.db2.gz KJLBUGVDPIQXSZ-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(F)c1C#N ZINC000599659830 1034091564 /nfs/dbraw/zinc/09/15/64/1034091564.db2.gz KJLBUGVDPIQXSZ-UHFFFAOYSA-N 2 1 325.431 3.781 20 30 EHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000414159211 1035813319 /nfs/dbraw/zinc/81/33/19/1035813319.db2.gz AZWMYTYGXZKUCW-VAMGGRTRSA-N 2 1 325.500 3.959 20 30 EHEDMP CC(CC[NH+]1CCC[C@](C)(C#N)C1)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000591026525 1037208346 /nfs/dbraw/zinc/20/83/46/1037208346.db2.gz JKXHYCOPCBDYFF-WOJBJXKFSA-N 2 1 330.520 3.654 20 30 EHEDMP C[N@H+](CC#Cc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192143430 1120718352 /nfs/dbraw/zinc/71/83/52/1120718352.db2.gz SBBLRWTWRFUREN-UHFFFAOYSA-N 2 1 333.479 3.672 20 30 EHEDMP CC[N@H+](Cc1cc(C#N)cs1)CC1CCN(c2ccccn2)CC1 ZINC000093564730 1129593873 /nfs/dbraw/zinc/59/38/73/1129593873.db2.gz RIBAMBPNIXZGKL-UHFFFAOYSA-N 2 1 340.496 3.753 20 30 EHEDMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720165 1129714794 /nfs/dbraw/zinc/71/47/94/1129714794.db2.gz PCALBSOCBNYFOC-UTKZUKDTSA-N 2 1 349.478 3.567 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173333514 1132050939 /nfs/dbraw/zinc/05/09/39/1132050939.db2.gz OITPCPJIUJUNDG-GPQLOAJWSA-N 2 1 344.528 3.512 20 30 EHEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598010 1132101285 /nfs/dbraw/zinc/10/12/85/1132101285.db2.gz LYMQQGVUQBFBCK-MWXLCCTBSA-N 2 1 325.500 3.913 20 30 EHEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598010 1132101287 /nfs/dbraw/zinc/10/12/87/1132101287.db2.gz LYMQQGVUQBFBCK-MWXLCCTBSA-N 2 1 325.500 3.913 20 30 EHEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598010 1132101291 /nfs/dbraw/zinc/10/12/91/1132101291.db2.gz LYMQQGVUQBFBCK-MWXLCCTBSA-N 2 1 325.500 3.913 20 30 EHEDMP CC[NH+]1CCC([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001169264562 1132705465 /nfs/dbraw/zinc/70/54/65/1132705465.db2.gz IFBWISUQYPVFGH-UHFFFAOYSA-N 2 1 347.890 3.539 20 30 EHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971196 1133217963 /nfs/dbraw/zinc/21/79/63/1133217963.db2.gz FOXPZNQMEAWPJA-ZHHKINOHSA-N 2 1 342.527 3.858 20 30 EHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001178971196 1133217967 /nfs/dbraw/zinc/21/79/67/1133217967.db2.gz FOXPZNQMEAWPJA-ZHHKINOHSA-N 2 1 342.527 3.858 20 30 EHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172289568 1137548231 /nfs/dbraw/zinc/54/82/31/1137548231.db2.gz FMUQIQFFDMRVSX-GCJKJVERSA-N 2 1 333.479 3.601 20 30 EHEDMP C[NH+](CCCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000118401467 1137933695 /nfs/dbraw/zinc/93/36/95/1137933695.db2.gz RDZCTCMVGHJASP-UHFFFAOYSA-N 2 1 346.478 3.774 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000348349191 1138007290 /nfs/dbraw/zinc/00/72/90/1138007290.db2.gz JOZFJTQXFXTJPY-INIZCTEOSA-N 2 1 330.435 3.946 20 30 EHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000104169804 1139197480 /nfs/dbraw/zinc/19/74/80/1139197480.db2.gz KUNGTFYHROFBCB-QGZVFWFLSA-N 2 1 346.519 3.855 20 30 EHEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)[NH+]2CCCC2)o1 ZINC000104191338 1139198620 /nfs/dbraw/zinc/19/86/20/1139198620.db2.gz LNSAPPNVAYBBGM-GOSISDBHSA-N 2 1 340.471 3.769 20 30 EHEDMP FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000269637398 1141131003 /nfs/dbraw/zinc/13/10/03/1141131003.db2.gz RIYBXWFLOZGMFR-UHFFFAOYSA-N 2 1 349.356 3.539 20 30 EHEDMP C=C(C)CN1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819242 1015428905 /nfs/dbraw/zinc/42/89/05/1015428905.db2.gz BIDOGDPMALNOLV-FPOVZHCZSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274819242 1015428913 /nfs/dbraw/zinc/42/89/13/1015428913.db2.gz BIDOGDPMALNOLV-FPOVZHCZSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274819242 1015428920 /nfs/dbraw/zinc/42/89/20/1015428920.db2.gz BIDOGDPMALNOLV-FPOVZHCZSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905099043 1032345800 /nfs/dbraw/zinc/34/58/00/1032345800.db2.gz YHCURLLZPRKWSR-QGZVFWFLSA-N 2 1 343.298 3.657 20 30 EHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000602483894 1032914338 /nfs/dbraw/zinc/91/43/38/1032914338.db2.gz JUCDDDSJBBZXEH-HLAWJBBLSA-N 2 1 325.500 3.913 20 30 EHEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000602483894 1032914348 /nfs/dbraw/zinc/91/43/48/1032914348.db2.gz JUCDDDSJBBZXEH-HLAWJBBLSA-N 2 1 325.500 3.913 20 30 EHEDMP N#CC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665464 1033062969 /nfs/dbraw/zinc/06/29/69/1033062969.db2.gz BZEZAUIKGFXHEP-CKHPTIKVSA-N 2 1 325.500 3.961 20 30 EHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442707079 1025434804 /nfs/dbraw/zinc/43/48/04/1025434804.db2.gz FSAYHGNMGRORMG-JWWGGVBKSA-N 2 1 325.500 3.946 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462567 1026628765 /nfs/dbraw/zinc/62/87/65/1026628765.db2.gz GMYQFXPTQAYZLK-APWZRJJASA-N 2 1 337.442 3.870 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462567 1026628773 /nfs/dbraw/zinc/62/87/73/1026628773.db2.gz GMYQFXPTQAYZLK-APWZRJJASA-N 2 1 337.442 3.870 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000153001229 1026930177 /nfs/dbraw/zinc/93/01/77/1026930177.db2.gz KSWNMADLMUCMQI-QGZVFWFLSA-N 2 1 341.499 3.505 20 30 EHEDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000193435636 1033332706 /nfs/dbraw/zinc/33/27/06/1033332706.db2.gz WXXOTHASHYQICC-KRWDZBQOSA-N 2 1 329.488 3.894 20 30 EHEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000172117126 1034819586 /nfs/dbraw/zinc/81/95/86/1034819586.db2.gz PIOLXSAQHSDCQA-UHFFFAOYSA-N 2 1 340.511 3.833 20 30 EHEDMP CC(C)(C#N)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568774 1036929478 /nfs/dbraw/zinc/92/94/78/1036929478.db2.gz FKAONWTYDAPSSH-VQTJNVASSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568774 1036929493 /nfs/dbraw/zinc/92/94/93/1036929493.db2.gz FKAONWTYDAPSSH-VQTJNVASSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000539568774 1036929507 /nfs/dbraw/zinc/92/95/07/1036929507.db2.gz FKAONWTYDAPSSH-VQTJNVASSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000539568774 1036929521 /nfs/dbraw/zinc/92/95/21/1036929521.db2.gz FKAONWTYDAPSSH-VQTJNVASSA-N 2 1 325.500 3.913 20 30 EHEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000542199490 1037155874 /nfs/dbraw/zinc/15/58/74/1037155874.db2.gz AFLHQVYOHFTMEU-NRFANRHFSA-N 2 1 325.500 3.697 20 30 EHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000542199490 1037155884 /nfs/dbraw/zinc/15/58/84/1037155884.db2.gz AFLHQVYOHFTMEU-NRFANRHFSA-N 2 1 325.500 3.697 20 30 EHEDMP C[C@H](NCc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789431 1038850341 /nfs/dbraw/zinc/85/03/41/1038850341.db2.gz OGRJWTNTVDLIEM-RDJZCZTQSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789431 1038850394 /nfs/dbraw/zinc/85/03/94/1038850394.db2.gz OGRJWTNTVDLIEM-RDJZCZTQSA-N 2 1 325.481 3.620 20 30 EHEDMP C[C@@H](CCC#N)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520457 1039191603 /nfs/dbraw/zinc/19/16/03/1039191603.db2.gz ZDDQCUOAILMSCR-NRDMVMEKSA-N 2 1 325.500 3.817 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237500347 1039263369 /nfs/dbraw/zinc/26/33/69/1039263369.db2.gz XWGYJRHGIVTSFA-ROUUACIJSA-N 2 1 329.488 3.722 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1OC ZINC000480924521 1040175863 /nfs/dbraw/zinc/17/58/63/1040175863.db2.gz CVGLPIZETWVQGH-UHFFFAOYSA-N 2 1 346.515 3.862 20 30 EHEDMP C=CC[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCC[NH2+]1 ZINC000662676324 1042824680 /nfs/dbraw/zinc/82/46/80/1042824680.db2.gz VAQIKKLZMAHSMH-UWJYYQICSA-N 2 1 341.499 3.555 20 30 EHEDMP N#CC1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000282265127 1128142831 /nfs/dbraw/zinc/14/28/31/1128142831.db2.gz KDEFUUMKIUJVFK-UHFFFAOYSA-N 2 1 325.500 3.613 20 30 EHEDMP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507044 1131763130 /nfs/dbraw/zinc/76/31/30/1131763130.db2.gz OCPMPZHPFNVUNK-KOUHRCEDSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507044 1131763136 /nfs/dbraw/zinc/76/31/36/1131763136.db2.gz OCPMPZHPFNVUNK-KOUHRCEDSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507044 1131763143 /nfs/dbraw/zinc/76/31/43/1131763143.db2.gz OCPMPZHPFNVUNK-KOUHRCEDSA-N 2 1 340.515 3.696 20 30 EHEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172507044 1131763147 /nfs/dbraw/zinc/76/31/47/1131763147.db2.gz OCPMPZHPFNVUNK-KOUHRCEDSA-N 2 1 340.515 3.696 20 30 EHEDMP C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000769402570 1133278352 /nfs/dbraw/zinc/27/83/52/1133278352.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 2 1 348.490 3.653 20 30 EHEDMP C#CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000769402570 1133278355 /nfs/dbraw/zinc/27/83/55/1133278355.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 2 1 348.490 3.653 20 30 EHEDMP C#CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000769402570 1133278359 /nfs/dbraw/zinc/27/83/59/1133278359.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 2 1 348.490 3.653 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001182109646 1133574137 /nfs/dbraw/zinc/57/41/37/1133574137.db2.gz QHHXZERPYJCQLN-UHFFFAOYSA-N 2 1 327.299 3.861 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001182109646 1133574138 /nfs/dbraw/zinc/57/41/38/1133574138.db2.gz QHHXZERPYJCQLN-UHFFFAOYSA-N 2 1 327.299 3.861 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809755178 1135887328 /nfs/dbraw/zinc/88/73/28/1135887328.db2.gz HHBNWXPMXUVPAW-KRWDZBQOSA-N 2 1 340.471 3.649 20 30 EHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809755178 1135887332 /nfs/dbraw/zinc/88/73/32/1135887332.db2.gz HHBNWXPMXUVPAW-KRWDZBQOSA-N 2 1 340.471 3.649 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000815651841 1136626999 /nfs/dbraw/zinc/62/69/99/1136626999.db2.gz FVDVTSHZZPAPON-CQSZACIVSA-N 2 1 344.446 3.947 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000815651841 1136627000 /nfs/dbraw/zinc/62/70/00/1136627000.db2.gz FVDVTSHZZPAPON-CQSZACIVSA-N 2 1 344.446 3.947 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001171195911 1137302078 /nfs/dbraw/zinc/30/20/78/1137302078.db2.gz WFJMRHXDMGOJQJ-UWJYYQICSA-N 2 1 325.500 3.733 20 30 EHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001171195911 1137302079 /nfs/dbraw/zinc/30/20/79/1137302079.db2.gz WFJMRHXDMGOJQJ-UWJYYQICSA-N 2 1 325.500 3.733 20 30 EHEDMP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000772986085 1137418576 /nfs/dbraw/zinc/41/85/76/1137418576.db2.gz ZRLUIPJENUYNIV-SFHVURJKSA-N 2 1 329.488 3.720 20 30 EHEDMP C#CCCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975858 1137525317 /nfs/dbraw/zinc/52/53/17/1137525317.db2.gz GTVANLZZRNPTDA-LJQANCHMSA-N 2 1 338.499 3.985 20 30 EHEDMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000879311978 1137743963 /nfs/dbraw/zinc/74/39/63/1137743963.db2.gz ZOPIHRCNCDTRLK-UAFMIMERSA-N 2 1 330.520 3.795 20 30 EHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000183157837 1125458094 /nfs/dbraw/zinc/45/80/94/1125458094.db2.gz BPLCLMXXSIERSA-MRXNPFEDSA-N 2 1 346.434 3.782 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172835 1032267479 /nfs/dbraw/zinc/26/74/79/1032267479.db2.gz MNCFVDJCKPNMAX-PPXMBRMGSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172835 1032267483 /nfs/dbraw/zinc/26/74/83/1032267483.db2.gz MNCFVDJCKPNMAX-PPXMBRMGSA-N 2 1 325.500 3.959 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000614401050 1018975628 /nfs/dbraw/zinc/97/56/28/1018975628.db2.gz YVHLETWPBPYKED-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000614401050 1018975645 /nfs/dbraw/zinc/97/56/45/1018975645.db2.gz YVHLETWPBPYKED-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000614401050 1018975655 /nfs/dbraw/zinc/97/56/55/1018975655.db2.gz YVHLETWPBPYKED-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000614401050 1018975668 /nfs/dbraw/zinc/97/56/68/1018975668.db2.gz YVHLETWPBPYKED-AZUAARDMSA-N 2 1 325.500 3.953 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120669399 1019377691 /nfs/dbraw/zinc/37/76/91/1019377691.db2.gz JFGSBOZLOIGPQN-UHFFFAOYSA-N 2 1 329.488 3.511 20 30 EHEDMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507580540 1021370579 /nfs/dbraw/zinc/37/05/79/1021370579.db2.gz OWSHFNNOWKLWMG-KMFTYDHNSA-N 2 1 325.500 3.712 20 30 EHEDMP CC[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000507639557 1021405271 /nfs/dbraw/zinc/40/52/71/1021405271.db2.gz XGRZPWDZNISZHQ-NYLDSWQDSA-N 2 1 325.500 3.855 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000280953345 1024482964 /nfs/dbraw/zinc/48/29/64/1024482964.db2.gz XSSVNNGNAGAEPE-BDHVOXNPSA-N 2 1 340.511 3.753 20 30 EHEDMP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C#N ZINC000119799822 1025992427 /nfs/dbraw/zinc/99/24/27/1025992427.db2.gz TYLZEUBKZZKVNE-OAHLLOKOSA-N 2 1 346.434 3.912 20 30 EHEDMP N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000281994838 1026574500 /nfs/dbraw/zinc/57/45/00/1026574500.db2.gz IKNSIHZZDQMYOG-MRXNPFEDSA-N 2 1 338.430 3.610 20 30 EHEDMP N#Cc1ccc(F)c(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000281994838 1026574507 /nfs/dbraw/zinc/57/45/07/1026574507.db2.gz IKNSIHZZDQMYOG-MRXNPFEDSA-N 2 1 338.430 3.610 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000153001124 1026929817 /nfs/dbraw/zinc/92/98/17/1026929817.db2.gz KSWNMADLMUCMQI-KRWDZBQOSA-N 2 1 341.499 3.505 20 30 EHEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977822 1032056453 /nfs/dbraw/zinc/05/64/53/1032056453.db2.gz WMZGNJRATFNDAW-APGKQEFDSA-N 2 1 341.499 3.567 20 30 EHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000193435651 1033332607 /nfs/dbraw/zinc/33/26/07/1033332607.db2.gz WXXOTHASHYQICC-QGZVFWFLSA-N 2 1 329.488 3.894 20 30 EHEDMP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594940470 1033589076 /nfs/dbraw/zinc/58/90/76/1033589076.db2.gz YZEKIEFAXOSIGC-OAQYLSRUSA-N 2 1 345.490 3.853 20 30 EHEDMP C[C@@]1(C[NH2+]Cc2ccc(C#N)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000309675524 1033638485 /nfs/dbraw/zinc/63/84/85/1033638485.db2.gz WGXAKEWTYMGAOF-IBGZPJMESA-N 2 1 325.481 3.622 20 30 EHEDMP C[C@@]1(C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309675524 1033638496 /nfs/dbraw/zinc/63/84/96/1033638496.db2.gz WGXAKEWTYMGAOF-IBGZPJMESA-N 2 1 325.481 3.622 20 30 EHEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000613256192 1035478439 /nfs/dbraw/zinc/47/84/39/1035478439.db2.gz QREOVRHFPRPMMG-CDJZJNNCSA-N 2 1 337.511 3.959 20 30 EHEDMP C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000164395413 1035536105 /nfs/dbraw/zinc/53/61/05/1035536105.db2.gz NRIOUGGTHITCJT-IBGZPJMESA-N 2 1 344.499 3.580 20 30 EHEDMP N#Cc1ccccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386062816 1036492884 /nfs/dbraw/zinc/49/28/84/1036492884.db2.gz DUFZKOQFOLHRGC-FGZHOGPDSA-N 2 1 331.463 3.512 20 30 EHEDMP CC(C)(C#N)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568766 1036929637 /nfs/dbraw/zinc/92/96/37/1036929637.db2.gz FKAONWTYDAPSSH-PMACEKPBSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000539568766 1036929651 /nfs/dbraw/zinc/92/96/51/1036929651.db2.gz FKAONWTYDAPSSH-PMACEKPBSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000539568766 1036929672 /nfs/dbraw/zinc/92/96/72/1036929672.db2.gz FKAONWTYDAPSSH-PMACEKPBSA-N 2 1 325.500 3.913 20 30 EHEDMP CC(C)(C#N)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000539568766 1036929685 /nfs/dbraw/zinc/92/96/85/1036929685.db2.gz FKAONWTYDAPSSH-PMACEKPBSA-N 2 1 325.500 3.913 20 30 EHEDMP C=CCOc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000552356309 1039207316 /nfs/dbraw/zinc/20/73/16/1039207316.db2.gz MLHZCYVBJFEDJU-LJQANCHMSA-N 2 1 334.891 3.823 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000586780271 1041015971 /nfs/dbraw/zinc/01/59/71/1041015971.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000586780271 1041015979 /nfs/dbraw/zinc/01/59/79/1041015979.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000586780271 1041015985 /nfs/dbraw/zinc/01/59/85/1041015985.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586780271 1041016001 /nfs/dbraw/zinc/01/60/01/1041016001.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 2 1 345.490 3.965 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000156245198 1129707479 /nfs/dbraw/zinc/70/74/79/1129707479.db2.gz DYISSGCGJZOCOZ-UHFFFAOYSA-N 2 1 329.488 3.511 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173333513 1132050449 /nfs/dbraw/zinc/05/04/49/1132050449.db2.gz OITPCPJIUJUNDG-FPQWYMTMSA-N 2 1 344.528 3.512 20 30 EHEDMP N#CCC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336907 1132053238 /nfs/dbraw/zinc/05/32/38/1132053238.db2.gz QUMHNKCRFFYLFE-SGCCOESXSA-N 2 1 337.511 3.913 20 30 EHEDMP N#CCC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336907 1132053243 /nfs/dbraw/zinc/05/32/43/1132053243.db2.gz QUMHNKCRFFYLFE-SGCCOESXSA-N 2 1 337.511 3.913 20 30 EHEDMP N#CC1(c2ccccc2)CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001170396323 1134764652 /nfs/dbraw/zinc/76/46/52/1134764652.db2.gz XURFBEDTBVZBOG-UHFFFAOYSA-N 2 1 334.467 3.927 20 30 EHEDMP C#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000809619056 1135858368 /nfs/dbraw/zinc/85/83/68/1135858368.db2.gz UTLCIJHCPFLTBY-NOTZXAQLSA-N 2 1 330.475 3.953 20 30 EHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C1 ZINC001199336425 1135895905 /nfs/dbraw/zinc/89/59/05/1135895905.db2.gz OIZNTKLVXCCDMK-DENIHFKCSA-N 2 1 341.543 3.659 20 30 EHEDMP C[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000824333172 1137132595 /nfs/dbraw/zinc/13/25/95/1137132595.db2.gz TYVSWZQUZFNVSS-XVAXZDLZSA-N 2 1 325.500 3.961 20 30 EHEDMP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1Cc2ccccc2O1 ZINC000883227414 1137849492 /nfs/dbraw/zinc/84/94/92/1137849492.db2.gz QCQSLNDTPLSUJF-ZUQLYSRVSA-N 2 1 326.484 3.540 20 30 EHEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091412312 1138219414 /nfs/dbraw/zinc/21/94/14/1138219414.db2.gz CFTLICHITJUPQT-NHCUHLMSSA-N 2 1 331.463 3.942 20 30 EHEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000513507146 1019749500 /nfs/dbraw/zinc/74/95/00/1019749500.db2.gz TUPQQVWOJVHUDH-GCJKJVERSA-N 2 1 333.479 3.949 20 30 EHEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000535810027 1023651762 /nfs/dbraw/zinc/65/17/62/1023651762.db2.gz WGXGKHIZKAOEAR-WIYYLYMNSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535810027 1023651766 /nfs/dbraw/zinc/65/17/66/1023651766.db2.gz WGXGKHIZKAOEAR-WIYYLYMNSA-N 2 1 326.484 3.700 20 30 EHEDMP C=CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535810027 1023651773 /nfs/dbraw/zinc/65/17/73/1023651773.db2.gz WGXGKHIZKAOEAR-WIYYLYMNSA-N 2 1 326.484 3.700 20 30 EHEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000895684722 1024735164 /nfs/dbraw/zinc/73/51/64/1024735164.db2.gz DXECXHJRRBCHOD-UHFFFAOYSA-N 2 1 342.531 3.734 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825963 1024949294 /nfs/dbraw/zinc/94/92/94/1024949294.db2.gz KZKRISDZCJAVPQ-IERDGZPVSA-N 2 1 337.442 3.698 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000152976524 1026832210 /nfs/dbraw/zinc/83/22/10/1026832210.db2.gz UBXJLPIFJXSDIA-SFHVURJKSA-N 2 1 330.472 3.539 20 30 EHEDMP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420311950 1027460384 /nfs/dbraw/zinc/46/03/84/1027460384.db2.gz WKPGKGRQXFYHQQ-ZDUSSCGKSA-N 2 1 341.268 3.576 20 30 EHEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594920908 1033547345 /nfs/dbraw/zinc/54/73/45/1033547345.db2.gz BUJORCAHKJSQKK-SFHVURJKSA-N 2 1 325.500 3.843 20 30 EHEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658135475 1033969972 /nfs/dbraw/zinc/96/99/72/1033969972.db2.gz DXWKXHULAOHVCP-VQTJNVASSA-N 2 1 340.467 3.643 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192929763 1036566861 /nfs/dbraw/zinc/56/68/61/1036566861.db2.gz FQWQWNMCYKTBPE-RXVVDRJESA-N 2 1 349.478 3.589 20 30 EHEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCCCCC1 ZINC000092277823 1038266736 /nfs/dbraw/zinc/26/67/36/1038266736.db2.gz JRIKGVWRLDFWTC-MRXNPFEDSA-N 2 1 348.560 3.587 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237510635 1039376445 /nfs/dbraw/zinc/37/64/45/1039376445.db2.gz RKOBLVKVOBPCBU-OTWHNJEPSA-N 2 1 343.515 3.825 20 30 EHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466714 1040288438 /nfs/dbraw/zinc/28/84/38/1040288438.db2.gz SELLKUZPVFUBOK-AEFFLSMTSA-N 2 1 337.442 3.870 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570927050 1041136211 /nfs/dbraw/zinc/13/62/11/1041136211.db2.gz NWPYWXYJQNJCQH-NRFANRHFSA-N 2 1 331.463 3.845 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570927050 1041136226 /nfs/dbraw/zinc/13/62/26/1041136226.db2.gz NWPYWXYJQNJCQH-NRFANRHFSA-N 2 1 331.463 3.845 20 30 EHEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001167833504 1043005704 /nfs/dbraw/zinc/00/57/04/1043005704.db2.gz CDMGLAHWYRLRHR-NQIIRXRSSA-N 2 1 343.515 3.912 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282206995 1128071420 /nfs/dbraw/zinc/07/14/20/1128071420.db2.gz HEFTXHORVNLCLC-HZGZPEGRSA-N 2 1 325.500 3.817 20 30 EHEDMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231035 1121104360 /nfs/dbraw/zinc/10/43/60/1121104360.db2.gz UQBUMHWOEFXPTH-YLJYHZDGSA-N 2 1 349.478 3.567 20 30 EHEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237553500 1123768194 /nfs/dbraw/zinc/76/81/94/1123768194.db2.gz SNFUZTFJIURWJK-RTBURBONSA-N 2 1 343.515 3.827 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000237695482 1123819658 /nfs/dbraw/zinc/81/96/58/1123819658.db2.gz FAXQASQGRKPIIW-KRWDZBQOSA-N 2 1 329.488 3.722 20 30 EHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000237695482 1123819661 /nfs/dbraw/zinc/81/96/61/1123819661.db2.gz FAXQASQGRKPIIW-KRWDZBQOSA-N 2 1 329.488 3.722 20 30 EHEDMP C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282419612 1129769277 /nfs/dbraw/zinc/76/92/77/1129769277.db2.gz SNYWGCDOGRVJFI-LANMQJKKSA-N 2 1 325.500 3.817 20 30 EHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332881 1132050240 /nfs/dbraw/zinc/05/02/40/1132050240.db2.gz VKHZFPUQGONFOE-QUWFBVPJSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332881 1132050242 /nfs/dbraw/zinc/05/02/42/1132050242.db2.gz VKHZFPUQGONFOE-QUWFBVPJSA-N 2 1 325.500 3.959 20 30 EHEDMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398371 1134765504 /nfs/dbraw/zinc/76/55/04/1134765504.db2.gz PDHNWEVDIJVQIZ-IVCWUUCSSA-N 2 1 337.511 3.664 20 30 EHEDMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398371 1134765508 /nfs/dbraw/zinc/76/55/08/1134765508.db2.gz PDHNWEVDIJVQIZ-IVCWUUCSSA-N 2 1 337.511 3.664 20 30 EHEDMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170398371 1134765517 /nfs/dbraw/zinc/76/55/17/1134765517.db2.gz PDHNWEVDIJVQIZ-IVCWUUCSSA-N 2 1 337.511 3.664 20 30 EHEDMP CCCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201776738 1136065793 /nfs/dbraw/zinc/06/57/93/1136065793.db2.gz JQUZWEBDYQZRRA-NHCUHLMSSA-N 2 1 345.531 3.575 20 30 EHEDMP CCCCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201776738 1136065798 /nfs/dbraw/zinc/06/57/98/1136065798.db2.gz JQUZWEBDYQZRRA-NHCUHLMSSA-N 2 1 345.531 3.575 20 30 EHEDMP CCCCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001201776738 1136065802 /nfs/dbraw/zinc/06/58/02/1136065802.db2.gz JQUZWEBDYQZRRA-NHCUHLMSSA-N 2 1 345.531 3.575 20 30 EHEDMP N#Cc1ccc(OCCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852114849 1136434792 /nfs/dbraw/zinc/43/47/92/1136434792.db2.gz KXHMHPIECXKLEV-UHFFFAOYSA-N 2 1 349.478 3.581 20 30 EHEDMP N#CC[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852318811 1136447632 /nfs/dbraw/zinc/44/76/32/1136447632.db2.gz CBIMIMYPNVWYKP-PMACEKPBSA-N 2 1 330.520 3.798 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652425 1136626539 /nfs/dbraw/zinc/62/65/39/1136626539.db2.gz BXLACXIUSDTGBP-INIZCTEOSA-N 2 1 341.524 3.648 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652425 1136626541 /nfs/dbraw/zinc/62/65/41/1136626541.db2.gz BXLACXIUSDTGBP-INIZCTEOSA-N 2 1 341.524 3.648 20 30 EHEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716731497 1137488522 /nfs/dbraw/zinc/48/85/22/1137488522.db2.gz KGIQSOFWFOFJMK-FKBYEOEOSA-N 2 1 331.463 3.701 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172300336 1137549444 /nfs/dbraw/zinc/54/94/44/1137549444.db2.gz VNBYYVKTWCVWEK-INIZCTEOSA-N 2 1 337.442 3.578 20 30 EHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172300316 1137549450 /nfs/dbraw/zinc/54/94/50/1137549450.db2.gz VFOXHPGYVYQNEA-INIZCTEOSA-N 2 1 337.442 3.578 20 30 EHEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883190305 1137847937 /nfs/dbraw/zinc/84/79/37/1137847937.db2.gz ZKJWADCDGFFLLN-FGZHOGPDSA-N 2 1 342.527 3.797 20 30 EHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000134157359 1137943803 /nfs/dbraw/zinc/94/38/03/1137943803.db2.gz GFBSWGIRDGWDNX-GOSISDBHSA-N 2 1 343.515 3.921 20 30 EHEDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1)CC(C)C ZINC000886104841 1138046999 /nfs/dbraw/zinc/04/69/99/1138046999.db2.gz LXGPNDLXGHIBHY-FQEVSTJZSA-N 2 1 349.563 3.511 20 30 EHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886605093 1138100987 /nfs/dbraw/zinc/10/09/87/1138100987.db2.gz JKWNIWDTYNXRAF-MNVIUDHYSA-N 2 1 340.511 3.610 20 30 EHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172834 1032266729 /nfs/dbraw/zinc/26/67/29/1032266729.db2.gz MNCFVDJCKPNMAX-MAKTXDPSSA-N 2 1 325.500 3.959 20 30 EHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449172834 1032266739 /nfs/dbraw/zinc/26/67/39/1032266739.db2.gz MNCFVDJCKPNMAX-MAKTXDPSSA-N 2 1 325.500 3.959 20 30 EHEDMP COc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C#N ZINC000237153438 1021691019 /nfs/dbraw/zinc/69/10/19/1021691019.db2.gz IQXVIKZSSBQTJO-KRWDZBQOSA-N 2 1 337.467 3.567 20 30 EHEDMP COc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000237153438 1021691032 /nfs/dbraw/zinc/69/10/32/1021691032.db2.gz IQXVIKZSSBQTJO-KRWDZBQOSA-N 2 1 337.467 3.567 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)CC1 ZINC000550142633 1022579906 /nfs/dbraw/zinc/57/99/06/1022579906.db2.gz ABGVOYOWJPLWCT-PKOBYXMFSA-N 2 1 336.520 3.519 20 30 EHEDMP C=CCC1([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000895260018 1024139238 /nfs/dbraw/zinc/13/92/38/1024139238.db2.gz NQFLJAZZSZGVQC-ACRUOGEOSA-N 2 1 340.511 3.754 20 30 EHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000237321421 1026953165 /nfs/dbraw/zinc/95/31/65/1026953165.db2.gz NJTVUGOVAQMKGH-UHFFFAOYSA-N 2 1 332.488 3.613 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502284737 1028060297 /nfs/dbraw/zinc/06/02/97/1028060297.db2.gz HWGFFUBSNNCKMY-QGZVFWFLSA-N 2 1 346.515 3.573 20 30 EHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000421352835 1028299469 /nfs/dbraw/zinc/29/94/69/1028299469.db2.gz DOQPYRPOQOJMGC-LPHOPBHVSA-N 2 1 343.471 3.932 20 30 EHEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000421352835 1028299488 /nfs/dbraw/zinc/29/94/88/1028299488.db2.gz DOQPYRPOQOJMGC-LPHOPBHVSA-N 2 1 343.471 3.932 20 30 EHEDMP N#CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000398997728 1036606877 /nfs/dbraw/zinc/60/68/77/1036606877.db2.gz QQECZSSPIGDBPY-DHIUTWEWSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000398997728 1036606886 /nfs/dbraw/zinc/60/68/86/1036606886.db2.gz QQECZSSPIGDBPY-DHIUTWEWSA-N 2 1 345.490 3.707 20 30 EHEDMP N#CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000398997728 1036606891 /nfs/dbraw/zinc/60/68/91/1036606891.db2.gz QQECZSSPIGDBPY-DHIUTWEWSA-N 2 1 345.490 3.707 20 30 EHEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311158373 1036967629 /nfs/dbraw/zinc/96/76/29/1036967629.db2.gz PADDZEUQWHZVKS-OAQYLSRUSA-N 2 1 336.479 3.863 20 30 EHEDMP C[C@H](CC[NH2+]Cc1cccc(OCCCC#N)c1)[NH+]1CCCCC1 ZINC000184335960 1127402101 /nfs/dbraw/zinc/40/21/01/1127402101.db2.gz LJSOLNQHRNFTEG-GOSISDBHSA-N 2 1 329.488 3.723 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000921630619 1127900969 /nfs/dbraw/zinc/90/09/69/1127900969.db2.gz SUOOPIAZXJFINS-AWEZNQCLSA-N 2 1 331.510 3.683 20 30 EHEDMP N#Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000921630619 1127900973 /nfs/dbraw/zinc/90/09/73/1127900973.db2.gz SUOOPIAZXJFINS-AWEZNQCLSA-N 2 1 331.510 3.683 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136396682 1123693203 /nfs/dbraw/zinc/69/32/03/1123693203.db2.gz RZDSRULKRPFVIT-UGKGYDQZSA-N 2 1 341.543 3.527 20 30 EHEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000136396682 1123693208 /nfs/dbraw/zinc/69/32/08/1123693208.db2.gz RZDSRULKRPFVIT-UGKGYDQZSA-N 2 1 341.543 3.527 20 30 EHEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000618807267 1125207764 /nfs/dbraw/zinc/20/77/64/1125207764.db2.gz WUZCIGWQAZAYBF-QFIPXVFZSA-N 2 1 331.463 3.800 20 30 EHEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206051 1129336605 /nfs/dbraw/zinc/33/66/05/1129336605.db2.gz LFGGYZJVDREXLT-RXVVDRJESA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000543206051 1129336609 /nfs/dbraw/zinc/33/66/09/1129336609.db2.gz LFGGYZJVDREXLT-RXVVDRJESA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206051 1129336612 /nfs/dbraw/zinc/33/66/12/1129336612.db2.gz LFGGYZJVDREXLT-RXVVDRJESA-N 2 1 325.500 3.839 20 30 EHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543206051 1129336616 /nfs/dbraw/zinc/33/66/16/1129336616.db2.gz LFGGYZJVDREXLT-RXVVDRJESA-N 2 1 325.500 3.839 20 30 EHEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184186 1130353853 /nfs/dbraw/zinc/35/38/53/1130353853.db2.gz KQMJWEHUDSGUTB-PBHICJAKSA-N 2 1 331.510 3.854 20 30 EHEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184186 1130353856 /nfs/dbraw/zinc/35/38/56/1130353856.db2.gz KQMJWEHUDSGUTB-PBHICJAKSA-N 2 1 331.510 3.854 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731678790 1130832521 /nfs/dbraw/zinc/83/25/21/1130832521.db2.gz PPHRFLSVYOYLCB-UHFFFAOYSA-N 2 1 328.500 3.920 20 30 EHEDMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001172928066 1131909564 /nfs/dbraw/zinc/90/95/64/1131909564.db2.gz IQOSNZLXQBEPIN-NCYKPQTJSA-N 2 1 341.499 3.588 20 30 EHEDMP N#CCC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173327683 1132047807 /nfs/dbraw/zinc/04/78/07/1132047807.db2.gz FNZYRHATDNWRGN-NNRACAPJSA-N 2 1 337.511 3.959 20 30 EHEDMP N#CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173326392 1132048404 /nfs/dbraw/zinc/04/84/04/1132048404.db2.gz YNGAYHFQBKBABC-CKHPTIKVSA-N 2 1 325.500 3.961 20 30 EHEDMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001170195987 1134712203 /nfs/dbraw/zinc/71/22/03/1134712203.db2.gz QZQLLIKDYYNPHS-TUFLPTIASA-N 2 1 341.499 3.588 20 30 EHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170364883 1134757350 /nfs/dbraw/zinc/75/73/50/1134757350.db2.gz KFLRAVBJSAOTIX-YFZZKHBCSA-N 2 1 337.511 3.995 20 30 EHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170364883 1134757356 /nfs/dbraw/zinc/75/73/56/1134757356.db2.gz KFLRAVBJSAOTIX-YFZZKHBCSA-N 2 1 337.511 3.995 20 30 EHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738602 1135882670 /nfs/dbraw/zinc/88/26/70/1135882670.db2.gz AZHNNKHRUKIUEI-QGZVFWFLSA-N 2 1 337.467 3.671 20 30 EHEDMP C[NH+](C)[C@@H](CNc1cc[nH+]c(CC#N)c1)c1ccc(Cl)cc1Cl ZINC001170590465 1135905983 /nfs/dbraw/zinc/90/59/83/1135905983.db2.gz UQIRMHLORRKUAV-KRWDZBQOSA-N 2 1 349.265 3.591 20 30 EHEDMP CCCCCCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201762857 1136061328 /nfs/dbraw/zinc/06/13/28/1136061328.db2.gz XTQGNWYKPKBMEV-SFHVURJKSA-N 2 1 338.536 3.696 20 30 EHEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000815652827 1136626828 /nfs/dbraw/zinc/62/68/28/1136626828.db2.gz VUDKTRXPEJMRIF-KRWDZBQOSA-N 2 1 339.508 3.732 20 30 EHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000815652827 1136626830 /nfs/dbraw/zinc/62/68/30/1136626830.db2.gz VUDKTRXPEJMRIF-KRWDZBQOSA-N 2 1 339.508 3.732 20 30 EHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199172 1137311920 /nfs/dbraw/zinc/31/19/20/1137311920.db2.gz VQGPDFGQKABDBB-ZPMCFJSWSA-N 2 1 348.494 3.656 20 30 EHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000825916440 1137662525 /nfs/dbraw/zinc/66/25/25/1137662525.db2.gz OEVIFNJYPMGMAB-UHFFFAOYSA-N 2 1 333.479 3.935 20 30 EHEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883167861 1137846901 /nfs/dbraw/zinc/84/69/01/1137846901.db2.gz JOPGRDAVPGKAMU-CTNGQTDRSA-N 2 1 326.484 3.541 20 30 EHEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883190304 1137847935 /nfs/dbraw/zinc/84/79/35/1137847935.db2.gz ZKJWADCDGFFLLN-FCHUYYIVSA-N 2 1 342.527 3.797 20 30 EHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2CC)CC1 ZINC000152989044 1139117649 /nfs/dbraw/zinc/11/76/49/1139117649.db2.gz ZWGHECLUYNJXBY-QGZVFWFLSA-N 2 1 343.515 3.596 20 30 EHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000181511100 1139911605 /nfs/dbraw/zinc/91/16/05/1139911605.db2.gz CTLQQLOSODCGTB-MSOLQXFVSA-N 2 1 329.488 3.894 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000269444980 1141110140 /nfs/dbraw/zinc/11/01/40/1141110140.db2.gz UNBIYRYNBOXLOL-INIZCTEOSA-N 2 1 343.471 3.761 20 30 EHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000269444980 1141110144 /nfs/dbraw/zinc/11/01/44/1141110144.db2.gz UNBIYRYNBOXLOL-INIZCTEOSA-N 2 1 343.471 3.761 20 30 EHEDMP