smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230968 1135211823 /nfs/dbraw/zinc/21/18/23/1135211823.db2.gz HWBQDIFWAJYORA-INIZCTEOSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222230968 1135211826 /nfs/dbraw/zinc/21/18/26/1135211826.db2.gz HWBQDIFWAJYORA-INIZCTEOSA-N 1 3 252.446 3.565 20 30 CHEDHO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540147720 1127962462 /nfs/dbraw/zinc/96/24/62/1127962462.db2.gz PWPVSUASAPKXII-FUHWJXTLSA-N 1 3 278.484 3.689 20 30 CHEDHO C=CCCCCCCCC[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206770105 1117856098 /nfs/dbraw/zinc/85/60/98/1117856098.db2.gz QUTPQZLUFVMDQK-DLBZAZTESA-N 1 3 266.473 3.962 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206770105 1117856102 /nfs/dbraw/zinc/85/61/02/1117856102.db2.gz QUTPQZLUFVMDQK-DLBZAZTESA-N 1 3 266.473 3.962 20 30 CHEDHO C=CCCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167255914 1118123442 /nfs/dbraw/zinc/12/34/42/1118123442.db2.gz QBBQRBAKFGHODA-GOSISDBHSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246695349 1119406689 /nfs/dbraw/zinc/40/66/89/1119406689.db2.gz KRGQKUJXKGYDAP-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246695349 1119406690 /nfs/dbraw/zinc/40/66/90/1119406690.db2.gz KRGQKUJXKGYDAP-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763663 1128902760 /nfs/dbraw/zinc/90/27/60/1128902760.db2.gz ARQXOPVLXQKVPP-PBHICJAKSA-N 1 3 287.451 3.575 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000651758786 1120736623 /nfs/dbraw/zinc/73/66/23/1120736623.db2.gz NVQIVUYOKBGWFA-BDXSIMOUSA-N 1 3 290.495 3.974 20 30 CHEDHO CCCCCCCCCN1CCC([NH+]2CCC2)CC1 ZINC001201852821 1123152078 /nfs/dbraw/zinc/15/20/78/1123152078.db2.gz NCWYGYTZKVTODK-UHFFFAOYSA-N 1 3 266.473 3.907 20 30 CHEDHO C=CCCCCCCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC001205009566 1123654531 /nfs/dbraw/zinc/65/45/31/1123654531.db2.gz XDGKVPYGWFGYQS-KRWDZBQOSA-N 1 3 266.473 3.835 20 30 CHEDHO CCCCCCCC[N@@H+]1CCCC12CCNCC2 ZINC001235141709 1130714038 /nfs/dbraw/zinc/71/40/38/1130714038.db2.gz WQJOTSWTMPYUOA-UHFFFAOYSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCCC[N@H+]1CCCC12CCNCC2 ZINC001235141709 1130714044 /nfs/dbraw/zinc/71/40/44/1130714044.db2.gz WQJOTSWTMPYUOA-UHFFFAOYSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235394232 1130739757 /nfs/dbraw/zinc/73/97/57/1130739757.db2.gz CONCELJABRLPHV-AFYXXPPBSA-N 1 3 296.474 3.912 20 30 CHEDHO C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235411061 1130739992 /nfs/dbraw/zinc/73/99/92/1130739992.db2.gz ZWPCIJXUUUXUTP-IRXDYDNUSA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235411061 1130739997 /nfs/dbraw/zinc/73/99/97/1130739997.db2.gz ZWPCIJXUUUXUTP-IRXDYDNUSA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411061 1130740003 /nfs/dbraw/zinc/74/00/03/1130740003.db2.gz ZWPCIJXUUUXUTP-IRXDYDNUSA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235411058 1130740918 /nfs/dbraw/zinc/74/09/18/1130740918.db2.gz ZWPCIJXUUUXUTP-IAGOWNOFSA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235411058 1130740923 /nfs/dbraw/zinc/74/09/23/1130740923.db2.gz ZWPCIJXUUUXUTP-IAGOWNOFSA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411058 1130740928 /nfs/dbraw/zinc/74/09/28/1130740928.db2.gz ZWPCIJXUUUXUTP-IAGOWNOFSA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509388 1130959894 /nfs/dbraw/zinc/95/98/94/1130959894.db2.gz KMYCCGRLZPOCJK-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO C=CCCC[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509388 1130959898 /nfs/dbraw/zinc/95/98/98/1130959898.db2.gz KMYCCGRLZPOCJK-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO C=CCCC[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509388 1130959900 /nfs/dbraw/zinc/95/99/00/1130959900.db2.gz KMYCCGRLZPOCJK-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236820005 1131014701 /nfs/dbraw/zinc/01/47/01/1131014701.db2.gz PJSSABSYPOYFOD-ACTMLHDOSA-N 1 3 264.457 3.572 20 30 CHEDHO CCCCN1CCC([N@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727183 1131632212 /nfs/dbraw/zinc/63/22/12/1131632212.db2.gz IDHUZKFTQQMCTM-UHFFFAOYSA-N 1 3 299.462 3.563 20 30 CHEDHO CCCCN1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727183 1131632215 /nfs/dbraw/zinc/63/22/15/1131632215.db2.gz IDHUZKFTQQMCTM-UHFFFAOYSA-N 1 3 299.462 3.563 20 30 CHEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734089 1132030316 /nfs/dbraw/zinc/03/03/16/1132030316.db2.gz TWLNZMRWGVQKGE-OTWHNJEPSA-N 1 3 284.447 3.595 20 30 CHEDHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172113588 1132133301 /nfs/dbraw/zinc/13/33/01/1132133301.db2.gz DRGBVQHVZOVQQD-AKHDSKFASA-N 1 3 297.446 3.614 20 30 CHEDHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172113588 1132133305 /nfs/dbraw/zinc/13/33/05/1132133305.db2.gz DRGBVQHVZOVQQD-AKHDSKFASA-N 1 3 297.446 3.614 20 30 CHEDHO CCC(CC)N1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331438 1132463668 /nfs/dbraw/zinc/46/36/68/1132463668.db2.gz CHAWYUOOSRCQQH-UHFFFAOYSA-N 1 3 291.483 3.701 20 30 CHEDHO C=CCCC[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001209160074 1133982410 /nfs/dbraw/zinc/98/24/10/1133982410.db2.gz CBEILVPEXSHFCH-UHFFFAOYSA-N 1 3 286.463 3.939 20 30 CHEDHO C=C(CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423034598 330166319 /nfs/dbraw/zinc/16/63/19/330166319.db2.gz XPHHVPXLXZHIQG-VQTJNVASSA-N 1 3 292.426 3.783 20 30 CHEDHO C=CCCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000536995042 330375298 /nfs/dbraw/zinc/37/52/98/330375298.db2.gz KKCJKCBPTPARBP-INIZCTEOSA-N 1 3 264.457 3.682 20 30 CHEDHO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000467412773 331418167 /nfs/dbraw/zinc/41/81/67/331418167.db2.gz UJMCNYBRKWUZSQ-DOTOQJQBSA-N 1 3 290.451 3.632 20 30 CHEDHO C=CCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193442307 333250273 /nfs/dbraw/zinc/25/02/73/333250273.db2.gz NMZDLACYLKVDEN-AEFFLSMTSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000193442307 333250274 /nfs/dbraw/zinc/25/02/74/333250274.db2.gz NMZDLACYLKVDEN-AEFFLSMTSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000193549376 333252869 /nfs/dbraw/zinc/25/28/69/333252869.db2.gz QZZHWEWDMIJGNB-SJORKVTESA-N 1 3 278.484 3.975 20 30 CHEDHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000278852040 522559593 /nfs/dbraw/zinc/55/95/93/522559593.db2.gz VQRODPJVHFEVKJ-SFHVURJKSA-N 1 3 299.462 3.862 20 30 CHEDHO C=CCCCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278270916 1131237166 /nfs/dbraw/zinc/23/71/66/1131237166.db2.gz ZCKGLALXEFOTEA-UHFFFAOYSA-N 1 3 276.468 3.683 20 30 CHEDHO C=CCCCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991481 1130701152 /nfs/dbraw/zinc/70/11/52/1130701152.db2.gz GHBFRGNFNDAIMU-GOSISDBHSA-N 1 3 278.484 3.979 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCC12CCNCC2 ZINC000718613189 1127266914 /nfs/dbraw/zinc/26/69/14/1127266914.db2.gz SQSPLZUQVMKBSW-UHFFFAOYSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCCCC[N@H+]1CCC12CCNCC2 ZINC000718613189 1127266917 /nfs/dbraw/zinc/26/69/17/1127266917.db2.gz SQSPLZUQVMKBSW-UHFFFAOYSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCCCCN1CCC12CC[NH2+]CC2 ZINC000718613189 1127266919 /nfs/dbraw/zinc/26/69/19/1127266919.db2.gz SQSPLZUQVMKBSW-UHFFFAOYSA-N 1 3 252.446 3.565 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(CCC)cc2)CC1 ZINC000592291241 1127342524 /nfs/dbraw/zinc/34/25/24/1127342524.db2.gz XFAPOGBDTYYRIH-UHFFFAOYSA-N 1 3 286.463 3.769 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCC[C@@H](N)CC1 ZINC001205094331 1128126068 /nfs/dbraw/zinc/12/60/68/1128126068.db2.gz LGUXLTQWHJZZME-MRXNPFEDSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCC[C@@H](N)CC1 ZINC001205094331 1128126071 /nfs/dbraw/zinc/12/60/71/1128126071.db2.gz LGUXLTQWHJZZME-MRXNPFEDSA-N 1 3 252.446 3.716 20 30 CHEDHO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258044289 1128686090 /nfs/dbraw/zinc/68/60/90/1128686090.db2.gz LCFCMXXWRAEEPS-ZACQAIPSSA-N 1 3 266.473 3.619 20 30 CHEDHO CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258044289 1128686091 /nfs/dbraw/zinc/68/60/91/1128686091.db2.gz LCFCMXXWRAEEPS-ZACQAIPSSA-N 1 3 266.473 3.619 20 30 CHEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466485 1120981718 /nfs/dbraw/zinc/98/17/18/1120981718.db2.gz UMFUWHSOVMESRP-WMZOPIPTSA-N 1 3 278.484 3.833 20 30 CHEDHO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467657 1120983693 /nfs/dbraw/zinc/98/36/93/1120983693.db2.gz HBXUVJNEHCCXMN-MSOLQXFVSA-N 1 3 278.484 3.833 20 30 CHEDHO N#CCCC[C@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000433023491 1121521719 /nfs/dbraw/zinc/52/17/19/1121521719.db2.gz QNCCTZCSKYGKAB-IBGZPJMESA-N 1 3 299.462 3.887 20 30 CHEDHO C=C(CC)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001191359819 1122596657 /nfs/dbraw/zinc/59/66/57/1122596657.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 1 3 298.474 3.941 20 30 CHEDHO C=C(CC)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191359819 1122596660 /nfs/dbraw/zinc/59/66/60/1122596660.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 1 3 298.474 3.941 20 30 CHEDHO C=CCC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC1 ZINC000439084509 1122752043 /nfs/dbraw/zinc/75/20/43/1122752043.db2.gz LBCCTKVNHJGLLQ-RDJZCZTQSA-N 1 3 264.457 3.585 20 30 CHEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCCNC[C@@H]1C ZINC001246025059 1131276169 /nfs/dbraw/zinc/27/61/69/1131276169.db2.gz BSEVDENCDDFMED-ZWKOTPCHSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1CCCNC[C@@H]1C ZINC001246025059 1131276172 /nfs/dbraw/zinc/27/61/72/1131276172.db2.gz BSEVDENCDDFMED-ZWKOTPCHSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCCC[C@@H](CC)[NH2+]CC1(C)CNC1 ZINC001246096780 1131309184 /nfs/dbraw/zinc/30/91/84/1131309184.db2.gz WPVOLVXHGDKHOV-OAHLLOKOSA-N 1 3 254.462 3.715 20 30 CHEDHO C#CCCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000877188485 1125018594 /nfs/dbraw/zinc/01/85/94/1125018594.db2.gz COLAGRJQWKRZJD-ROUUACIJSA-N 1 3 290.495 3.813 20 30 CHEDHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(C#N)c1 ZINC000902737032 1130048770 /nfs/dbraw/zinc/04/87/70/1130048770.db2.gz OIMDOKRFAQYHJG-IBGZPJMESA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287329 1130911094 /nfs/dbraw/zinc/91/10/94/1130911094.db2.gz RKXJWDYIIUGFEV-UHFFFAOYSA-N 1 3 272.436 3.597 20 30 CHEDHO C=CCCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287329 1130911100 /nfs/dbraw/zinc/91/11/00/1130911100.db2.gz RKXJWDYIIUGFEV-UHFFFAOYSA-N 1 3 272.436 3.597 20 30 CHEDHO C=CCCCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287329 1130911102 /nfs/dbraw/zinc/91/11/02/1130911102.db2.gz RKXJWDYIIUGFEV-UHFFFAOYSA-N 1 3 272.436 3.597 20 30 CHEDHO C#C[C@](C)(CC)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982340 1132119581 /nfs/dbraw/zinc/11/95/81/1132119581.db2.gz HKLIYRWMOFVPTL-AZUAARDMSA-N 1 3 298.474 3.821 20 30 CHEDHO C#C[C@](C)(CC)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982340 1132119584 /nfs/dbraw/zinc/11/95/84/1132119584.db2.gz HKLIYRWMOFVPTL-AZUAARDMSA-N 1 3 298.474 3.821 20 30 CHEDHO C=CCCCCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264857 1135216202 /nfs/dbraw/zinc/21/62/02/1135216202.db2.gz IVFLZIVKAYFJJN-KRWDZBQOSA-N 1 3 264.457 3.589 20 30 CHEDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185785338 262070398 /nfs/dbraw/zinc/07/03/98/262070398.db2.gz USVNPJLEWHBFIF-VQIMIIECSA-N 1 3 299.462 3.700 20 30 CHEDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185785318 262070506 /nfs/dbraw/zinc/07/05/06/262070506.db2.gz USVNPJLEWHBFIF-LPHOPBHVSA-N 1 3 299.462 3.700 20 30 CHEDHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274209156 328209626 /nfs/dbraw/zinc/20/96/26/328209626.db2.gz MZQQKVCKEOXWPG-MOPGFXCFSA-N 1 3 299.462 3.700 20 30 CHEDHO C=CCC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000121545568 328375605 /nfs/dbraw/zinc/37/56/05/328375605.db2.gz RXNPXDVTKTVIAO-SFHVURJKSA-N 1 3 276.468 3.728 20 30 CHEDHO C=CCC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000423162008 330173724 /nfs/dbraw/zinc/17/37/24/330173724.db2.gz OPDZHRDFKBGFCU-AWEZNQCLSA-N 1 3 287.451 3.636 20 30 CHEDHO C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423174711 330174714 /nfs/dbraw/zinc/17/47/14/330174714.db2.gz CNQNDYIFAAJZHM-NSISKUIASA-N 1 3 292.426 3.908 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2ccc3c(c2)CCCC3)CC1 ZINC000490894336 332126476 /nfs/dbraw/zinc/12/64/76/332126476.db2.gz MICMAAOTMLEXSM-UHFFFAOYSA-N 1 3 298.474 3.696 20 30 CHEDHO C=CCC(C)(C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000556214318 334500363 /nfs/dbraw/zinc/50/03/63/334500363.db2.gz ABZQCTPARWULMJ-UHFFFAOYSA-N 1 3 264.457 3.585 20 30 CHEDHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833112 522852412 /nfs/dbraw/zinc/85/24/12/522852412.db2.gz UFUJGPUGRXJIHX-PKOBYXMFSA-N 1 3 299.462 3.719 20 30 CHEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246333920 1131474118 /nfs/dbraw/zinc/47/41/18/1131474118.db2.gz RUMJCNIKDAOEBK-NCOADZHNSA-N 1 3 266.473 3.998 20 30 CHEDHO C=CCCCCCCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584534 1130980956 /nfs/dbraw/zinc/98/09/56/1130980956.db2.gz JHCBPCCVVHJVOB-KRWDZBQOSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCCCCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584534 1130980962 /nfs/dbraw/zinc/98/09/62/1130980962.db2.gz JHCBPCCVVHJVOB-KRWDZBQOSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000567122114 1128558497 /nfs/dbraw/zinc/55/84/97/1128558497.db2.gz LWAVEVJFHNJZMO-HOTGVXAUSA-N 1 3 264.457 3.585 20 30 CHEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)C[C@H](C1)C2 ZINC000715562445 1120129968 /nfs/dbraw/zinc/12/99/68/1120129968.db2.gz PNEAWSHLGAQAMR-YUGHNKOSSA-N 1 3 276.468 3.584 20 30 CHEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@H](N(C)C)C3)C[C@H](C1)C2 ZINC000715562441 1120130434 /nfs/dbraw/zinc/13/04/34/1120130434.db2.gz PNEAWSHLGAQAMR-JILJLDPQSA-N 1 3 276.468 3.584 20 30 CHEDHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763698 1128903018 /nfs/dbraw/zinc/90/30/18/1128903018.db2.gz ARQXOPVLXQKVPP-RHSMWYFYSA-N 1 3 287.451 3.575 20 30 CHEDHO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466483 1120981654 /nfs/dbraw/zinc/98/16/54/1120981654.db2.gz UMFUWHSOVMESRP-FUHWJXTLSA-N 1 3 278.484 3.833 20 30 CHEDHO CCCCCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368966 1122956336 /nfs/dbraw/zinc/95/63/36/1122956336.db2.gz PYTDEYDIWQBDMN-MRXNPFEDSA-N 1 3 275.440 3.563 20 30 CHEDHO CCCCCCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001197368966 1122956338 /nfs/dbraw/zinc/95/63/38/1122956338.db2.gz PYTDEYDIWQBDMN-MRXNPFEDSA-N 1 3 275.440 3.563 20 30 CHEDHO CCCCCCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001197368966 1122956341 /nfs/dbraw/zinc/95/63/41/1122956341.db2.gz PYTDEYDIWQBDMN-MRXNPFEDSA-N 1 3 275.440 3.563 20 30 CHEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665230610 1123234217 /nfs/dbraw/zinc/23/42/17/1123234217.db2.gz RYVNDDXLJIKIKT-RKVPGOIHSA-N 1 3 287.451 3.634 20 30 CHEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665230607 1123234505 /nfs/dbraw/zinc/23/45/05/1123234505.db2.gz RYVNDDXLJIKIKT-DAYGRLMNSA-N 1 3 287.451 3.634 20 30 CHEDHO C=CCCCCCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350217 1130736409 /nfs/dbraw/zinc/73/64/09/1130736409.db2.gz WTYLJHIRYMDAST-WOJBJXKFSA-N 1 3 298.474 3.812 20 30 CHEDHO C=CCCCCCCCCCN(C)C[C@@H]1CC[NH2+]C1 ZINC001235843181 1130787456 /nfs/dbraw/zinc/78/74/56/1130787456.db2.gz XEJWFVORXQQZRN-QGZVFWFLSA-N 1 3 266.473 3.835 20 30 CHEDHO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817985326 1131194744 /nfs/dbraw/zinc/19/47/44/1131194744.db2.gz IYTISYMRUIAFJR-HZPDHXFCSA-N 1 3 264.457 3.776 20 30 CHEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590257 1132497285 /nfs/dbraw/zinc/49/72/85/1132497285.db2.gz BEFYFPNCUYUOAE-IPJUCJBFSA-N 1 3 299.462 3.556 20 30 CHEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590257 1132497287 /nfs/dbraw/zinc/49/72/87/1132497287.db2.gz BEFYFPNCUYUOAE-IPJUCJBFSA-N 1 3 299.462 3.556 20 30 CHEDHO CCCCN1CCC([N@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC001233083815 1132573243 /nfs/dbraw/zinc/57/32/43/1132573243.db2.gz CKZBHTJEMOTOPW-UHFFFAOYSA-N 1 3 299.462 3.563 20 30 CHEDHO CCCCN1CCC([N@@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC001233083815 1132573248 /nfs/dbraw/zinc/57/32/48/1132573248.db2.gz CKZBHTJEMOTOPW-UHFFFAOYSA-N 1 3 299.462 3.563 20 30 CHEDHO C=CCCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207356 1133987185 /nfs/dbraw/zinc/98/71/85/1133987185.db2.gz VLKHSYFHDWKMPL-UXHICEINSA-N 1 3 298.474 3.797 20 30 CHEDHO C=CCCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207356 1133987187 /nfs/dbraw/zinc/98/71/87/1133987187.db2.gz VLKHSYFHDWKMPL-UXHICEINSA-N 1 3 298.474 3.797 20 30 CHEDHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(C#N)cc1 ZINC000571610343 328137298 /nfs/dbraw/zinc/13/72/98/328137298.db2.gz AXZFKBFAXYKSHE-QFBILLFUSA-N 1 3 299.462 3.863 20 30 CHEDHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293897 330188098 /nfs/dbraw/zinc/18/80/98/330188098.db2.gz SKPSORVAUJUXRL-KUHUBIRLSA-N 1 3 293.414 3.819 20 30 CHEDHO C=CCCCC[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423376964 330198689 /nfs/dbraw/zinc/19/86/89/330198689.db2.gz JPDBSOIWUUEEFJ-AWEZNQCLSA-N 1 3 258.409 3.514 20 30 CHEDHO CC[NH+](CC)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000488473264 332012450 /nfs/dbraw/zinc/01/24/50/332012450.db2.gz XXSBCRTVCBDUFD-INIZCTEOSA-N 1 3 299.462 3.673 20 30 CHEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782288 334317402 /nfs/dbraw/zinc/31/74/02/334317402.db2.gz IAWMDQLNEDZWFG-BRWVUGGUSA-N 1 3 291.483 3.559 20 30 CHEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782288 334317403 /nfs/dbraw/zinc/31/74/03/334317403.db2.gz IAWMDQLNEDZWFG-BRWVUGGUSA-N 1 3 291.483 3.559 20 30 CHEDHO C=CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000573235145 334920069 /nfs/dbraw/zinc/92/00/69/334920069.db2.gz MAYBCYNEWZTZDA-ZACQAIPSSA-N 1 3 258.409 3.553 20 30 CHEDHO C=CCCCN1CCC[C@H]([N@H+](C)CCCC=C)CC1 ZINC000532825792 1123836302 /nfs/dbraw/zinc/83/63/02/1123836302.db2.gz SRTZPBVIEDVVFV-KRWDZBQOSA-N 1 3 264.457 3.705 20 30 CHEDHO C=CCCCN1CCC[C@H]([N@@H+](C)CCCC=C)CC1 ZINC000532825792 1123836308 /nfs/dbraw/zinc/83/63/08/1123836308.db2.gz SRTZPBVIEDVVFV-KRWDZBQOSA-N 1 3 264.457 3.705 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000602451007 1127577936 /nfs/dbraw/zinc/57/79/36/1127577936.db2.gz NKWHXDAKRXAFPE-FGTMMUONSA-N 1 3 291.483 3.513 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602451007 1127577940 /nfs/dbraw/zinc/57/79/40/1127577940.db2.gz NKWHXDAKRXAFPE-FGTMMUONSA-N 1 3 291.483 3.513 20 30 CHEDHO CC(C)CCN1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000924784242 1128112996 /nfs/dbraw/zinc/11/29/96/1128112996.db2.gz CMFDLYABNWPDJY-INIZCTEOSA-N 1 3 299.462 3.719 20 30 CHEDHO C=C(C)CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000509702518 1120061914 /nfs/dbraw/zinc/06/19/14/1120061914.db2.gz ZQWJYLOWOXTUHD-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000509702518 1120061920 /nfs/dbraw/zinc/06/19/20/1120061920.db2.gz ZQWJYLOWOXTUHD-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@H](N(C)C)C3)C[C@H](C1)C2 ZINC000715562442 1120130392 /nfs/dbraw/zinc/13/03/92/1120130392.db2.gz PNEAWSHLGAQAMR-VTEPJNGRSA-N 1 3 276.468 3.584 20 30 CHEDHO C=CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000117883843 1120519683 /nfs/dbraw/zinc/51/96/83/1120519683.db2.gz KRGQKUJXKGYDAP-DLBZAZTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000117883843 1120519686 /nfs/dbraw/zinc/51/96/86/1120519686.db2.gz KRGQKUJXKGYDAP-DLBZAZTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@H]([N@H+](C)CCC(=C)C)CC1 ZINC000508975768 1120567019 /nfs/dbraw/zinc/56/70/19/1120567019.db2.gz HAQSIKDHUDBDAU-KRWDZBQOSA-N 1 3 264.457 3.705 20 30 CHEDHO C=C(C)CCN1CCC[C@H]([N@@H+](C)CCC(=C)C)CC1 ZINC000508975768 1120567023 /nfs/dbraw/zinc/56/70/23/1120567023.db2.gz HAQSIKDHUDBDAU-KRWDZBQOSA-N 1 3 264.457 3.705 20 30 CHEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467662 1120984096 /nfs/dbraw/zinc/98/40/96/1120984096.db2.gz HBXUVJNEHCCXMN-ZWKOTPCHSA-N 1 3 278.484 3.833 20 30 CHEDHO CCCCCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000759975089 1121179502 /nfs/dbraw/zinc/17/95/02/1121179502.db2.gz FZEHSQCCBZFIBH-MRXNPFEDSA-N 1 3 254.462 3.763 20 30 CHEDHO CCCCCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000759975089 1121179510 /nfs/dbraw/zinc/17/95/10/1121179510.db2.gz FZEHSQCCBZFIBH-MRXNPFEDSA-N 1 3 254.462 3.763 20 30 CHEDHO C=C(CC)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000520590114 1123181362 /nfs/dbraw/zinc/18/13/62/1123181362.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 3 292.492 3.776 20 30 CHEDHO C=C(CC)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000520590114 1123181367 /nfs/dbraw/zinc/18/13/67/1123181367.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 1 3 292.492 3.776 20 30 CHEDHO CC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447521514 1124479884 /nfs/dbraw/zinc/47/98/84/1124479884.db2.gz WLIFQZDVHPOYHW-LJQANCHMSA-N 1 3 299.462 3.721 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2cccc3ccoc32)CC1 ZINC000449121444 1124651831 /nfs/dbraw/zinc/65/18/31/1124651831.db2.gz HQKKKYNZNFWVCR-UHFFFAOYSA-N 1 3 284.403 3.563 20 30 CHEDHO C#C[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000872140442 1124695629 /nfs/dbraw/zinc/69/56/29/1124695629.db2.gz NDSDRIDKLIPJQM-QAQDUYKDSA-N 1 3 288.479 3.565 20 30 CHEDHO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@H](N)C1 ZINC001246187318 1131385088 /nfs/dbraw/zinc/38/50/88/1131385088.db2.gz GLKREBTYRUHDIC-BZUAXINKSA-N 1 3 254.462 3.841 20 30 CHEDHO CC1(C)C[NH2+]CC[C@@H](N[C@H](CCCC#N)c2ccccc2)C1 ZINC000902388796 1130005465 /nfs/dbraw/zinc/00/54/65/1130005465.db2.gz QKPKJMLPAZRBFG-QZTJIDSGSA-N 1 3 299.462 3.789 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCC12CCNCC2 ZINC001235103828 1130711960 /nfs/dbraw/zinc/71/19/60/1130711960.db2.gz XRQYIRRFDZAYBG-UHFFFAOYSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCC12CCNCC2 ZINC001235103828 1130711965 /nfs/dbraw/zinc/71/19/65/1130711965.db2.gz XRQYIRRFDZAYBG-UHFFFAOYSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCCCCN1CCC12CC[NH2+]CC2 ZINC001235103828 1130711971 /nfs/dbraw/zinc/71/19/71/1130711971.db2.gz XRQYIRRFDZAYBG-UHFFFAOYSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCN(CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235702507 1130771846 /nfs/dbraw/zinc/77/18/46/1130771846.db2.gz KZBKJGFOBNEPFS-SFHVURJKSA-N 1 3 272.436 3.597 20 30 CHEDHO CCCCCCC[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246228986 1131415349 /nfs/dbraw/zinc/41/53/49/1131415349.db2.gz HTQCFWMXIBGNFC-CABCVRRESA-N 1 3 254.462 3.713 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246560212 1131622602 /nfs/dbraw/zinc/62/26/02/1131622602.db2.gz BQFMPHLGKQSIDP-JYJNAYRXSA-N 1 3 254.462 3.795 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246560212 1131622604 /nfs/dbraw/zinc/62/26/04/1131622604.db2.gz BQFMPHLGKQSIDP-JYJNAYRXSA-N 1 3 254.462 3.795 20 30 CHEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716717268 1132030863 /nfs/dbraw/zinc/03/08/63/1132030863.db2.gz JABNWEGGEQTAHZ-OTWHNJEPSA-N 1 3 284.447 3.595 20 30 CHEDHO C=C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1 ZINC001172110903 1132132660 /nfs/dbraw/zinc/13/26/60/1132132660.db2.gz RBDOPRSCWBFFNY-XMTFNYHQSA-N 1 3 270.420 3.519 20 30 CHEDHO C=CCCCCC[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001206579898 1133721272 /nfs/dbraw/zinc/72/12/72/1133721272.db2.gz ARFOFUWSRMGXDC-MRXNPFEDSA-N 1 3 252.446 3.585 20 30 CHEDHO C=CCCCCC[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001206579898 1133721279 /nfs/dbraw/zinc/72/12/79/1133721279.db2.gz ARFOFUWSRMGXDC-MRXNPFEDSA-N 1 3 252.446 3.585 20 30 CHEDHO C[C@@H](CCC#N)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276319289 263035923 /nfs/dbraw/zinc/03/59/23/263035923.db2.gz OKEYPWGJCATRIB-KRWDZBQOSA-N 1 3 299.462 3.523 20 30 CHEDHO C[C@@H](CCC#N)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000276319289 263035924 /nfs/dbraw/zinc/03/59/24/263035924.db2.gz OKEYPWGJCATRIB-KRWDZBQOSA-N 1 3 299.462 3.523 20 30 CHEDHO CCC[NH+]1CCC(N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000340448374 263154582 /nfs/dbraw/zinc/15/45/82/263154582.db2.gz RWFULVXUNSTOBF-LJQANCHMSA-N 1 3 299.462 3.886 20 30 CHEDHO C=C(C)[C@H](N[C@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049960 330167004 /nfs/dbraw/zinc/16/70/04/330167004.db2.gz KNAKQIDSUZTQOP-WBMJQRKESA-N 1 3 282.378 3.689 20 30 CHEDHO CC[C@H]([NH2+]CC1(N)CCCCCC1)c1ccc(C#N)cc1 ZINC000423199888 330176489 /nfs/dbraw/zinc/17/64/89/330176489.db2.gz LEWCKMRXXRQEHR-KRWDZBQOSA-N 1 3 285.435 3.651 20 30 CHEDHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499411 330208115 /nfs/dbraw/zinc/20/81/15/330208115.db2.gz AWTPFUXXTIUFLF-BEFAXECRSA-N 1 3 293.414 3.689 20 30 CHEDHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503074 330208601 /nfs/dbraw/zinc/20/86/01/330208601.db2.gz MLAOJKNFEQHHMG-DNVCBOLYSA-N 1 3 293.414 3.689 20 30 CHEDHO C=CC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449487353 330930213 /nfs/dbraw/zinc/93/02/13/330930213.db2.gz YHKFGXYEKLOQDP-NVXWUHKLSA-N 1 3 278.484 3.831 20 30 CHEDHO C=CCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248735311 334315369 /nfs/dbraw/zinc/31/53/69/334315369.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248735311 334315370 /nfs/dbraw/zinc/31/53/70/334315370.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCN(CCCCCC[NH3+])Cc1ccc(Cl)s1 ZINC000846217562 1131701022 /nfs/dbraw/zinc/70/10/22/1131701022.db2.gz KQBPAXXFTDFMNJ-UHFFFAOYSA-N 1 3 286.872 3.909 20 30 CHEDHO C[C@@H](CCC#N)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602459962 1127581671 /nfs/dbraw/zinc/58/16/71/1127581671.db2.gz PHVDYVLBWKTULX-ZWKOTPCHSA-N 1 3 291.483 3.514 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657352576 1119022841 /nfs/dbraw/zinc/02/28/41/1119022841.db2.gz KCLWFVZKGRDHGG-UHFFFAOYSA-N 1 3 297.446 3.606 20 30 CHEDHO C=CCC[C@@H](CC)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001180811548 1122017337 /nfs/dbraw/zinc/01/73/37/1122017337.db2.gz SCRDUEHEKZXQLC-HZPDHXFCSA-N 1 3 252.446 3.585 20 30 CHEDHO C=CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003214 1123174237 /nfs/dbraw/zinc/17/42/37/1123174237.db2.gz KECQPVXGXFZSDS-JWTNVVGKSA-N 1 3 276.468 3.680 20 30 CHEDHO C=CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003214 1123174238 /nfs/dbraw/zinc/17/42/38/1123174238.db2.gz KECQPVXGXFZSDS-JWTNVVGKSA-N 1 3 276.468 3.680 20 30 CHEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001258724478 1129581848 /nfs/dbraw/zinc/58/18/48/1129581848.db2.gz XKKBHZOEEPRCBW-AWEZNQCLSA-N 1 3 292.854 3.945 20 30 CHEDHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 ZINC000902792799 1130059087 /nfs/dbraw/zinc/05/90/87/1130059087.db2.gz DKIKGEQTLBJICX-MJGOQNOKSA-N 1 3 299.462 3.719 20 30 CHEDHO N#CC1(CCCC[N@@H+](CCCN)CC2CCCC2)CCC1 ZINC000903749599 1130196641 /nfs/dbraw/zinc/19/66/41/1130196641.db2.gz MSAXXBVVIGRKOE-UHFFFAOYSA-N 1 3 291.483 3.692 20 30 CHEDHO N#CC1(CCCC[N@H+](CCCN)CC2CCCC2)CCC1 ZINC000903749599 1130196646 /nfs/dbraw/zinc/19/66/46/1130196646.db2.gz MSAXXBVVIGRKOE-UHFFFAOYSA-N 1 3 291.483 3.692 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCCC12CCNCC2 ZINC001235140243 1130714264 /nfs/dbraw/zinc/71/42/64/1130714264.db2.gz HQESZTOWUZLVCK-UHFFFAOYSA-N 1 3 266.473 3.955 20 30 CHEDHO CCCCCCCCC[N@H+]1CCCC12CCNCC2 ZINC001235140243 1130714269 /nfs/dbraw/zinc/71/42/69/1130714269.db2.gz HQESZTOWUZLVCK-UHFFFAOYSA-N 1 3 266.473 3.955 20 30 CHEDHO CCCCCCCCC[N@H+](CCOCC)C1CCNCC1 ZINC001236459629 1130947195 /nfs/dbraw/zinc/94/71/95/1130947195.db2.gz BOFSGIBOKQRXCM-UHFFFAOYSA-N 1 3 298.515 3.828 20 30 CHEDHO CCCCCCCCC[N@@H+](CCOCC)C1CCNCC1 ZINC001236459629 1130947198 /nfs/dbraw/zinc/94/71/98/1130947198.db2.gz BOFSGIBOKQRXCM-UHFFFAOYSA-N 1 3 298.515 3.828 20 30 CHEDHO CCCCCCCCCN(CCOCC)C1CC[NH2+]CC1 ZINC001236459629 1130947200 /nfs/dbraw/zinc/94/72/00/1130947200.db2.gz BOFSGIBOKQRXCM-UHFFFAOYSA-N 1 3 298.515 3.828 20 30 CHEDHO C=C(C)[C@@H]1CC=C(CN(CCC)C[C@@H]2CC[NH2+]C2)CC1 ZINC001236826944 1131016240 /nfs/dbraw/zinc/01/62/40/1131016240.db2.gz DIZFSDASSAKZNJ-QZTJIDSGSA-N 1 3 276.468 3.611 20 30 CHEDHO CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](CN)C1 ZINC001246794839 1131784261 /nfs/dbraw/zinc/78/42/61/1131784261.db2.gz HDLNOJKQZCWGMK-JKSUJKDBSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](CN)C1 ZINC001246794839 1131784265 /nfs/dbraw/zinc/78/42/65/1131784265.db2.gz HDLNOJKQZCWGMK-JKSUJKDBSA-N 1 3 254.462 3.796 20 30 CHEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716717267 1132030820 /nfs/dbraw/zinc/03/08/20/1132030820.db2.gz JABNWEGGEQTAHZ-FHWLQOOXSA-N 1 3 284.447 3.595 20 30 CHEDHO C#CC(C)(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062246 1132126034 /nfs/dbraw/zinc/12/60/34/1132126034.db2.gz LGXCDMSVEFKLQH-LDLYASANSA-N 1 3 296.458 3.574 20 30 CHEDHO C#CC(C)(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062246 1132126038 /nfs/dbraw/zinc/12/60/38/1132126038.db2.gz LGXCDMSVEFKLQH-LDLYASANSA-N 1 3 296.458 3.574 20 30 CHEDHO C=CC[N@H+](Cc1cc2cnccc2[nH]1)C1CCCCC1 ZINC001232019113 1132412468 /nfs/dbraw/zinc/41/24/68/1132412468.db2.gz VUIXXZPKBQLVFU-UHFFFAOYSA-N 1 3 269.392 3.884 20 30 CHEDHO C=CC[N@@H+](Cc1cc2cnccc2[nH]1)C1CCCCC1 ZINC001232019113 1132412475 /nfs/dbraw/zinc/41/24/75/1132412475.db2.gz VUIXXZPKBQLVFU-UHFFFAOYSA-N 1 3 269.392 3.884 20 30 CHEDHO CCCCCCCC[C@@H](CCC)[NH2+]C1CC(N)C1 ZINC001173309246 1132449592 /nfs/dbraw/zinc/44/95/92/1132449592.db2.gz GQZZBRDBVYMGEI-HWOWSKLDSA-N 1 3 254.462 3.985 20 30 CHEDHO CCCCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000103033617 185804333 /nfs/dbraw/zinc/80/43/33/185804333.db2.gz AMZYESBEZAZHGU-UHFFFAOYSA-N 1 3 254.462 3.809 20 30 CHEDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423291801 330187538 /nfs/dbraw/zinc/18/75/38/330187538.db2.gz JWKYOFUXPWRCOR-STQMWFEESA-N 1 3 297.377 3.568 20 30 CHEDHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503076 330208521 /nfs/dbraw/zinc/20/85/21/330208521.db2.gz MLAOJKNFEQHHMG-HNAYVOBHSA-N 1 3 293.414 3.689 20 30 CHEDHO C=CCC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000089215351 330381310 /nfs/dbraw/zinc/38/13/10/330381310.db2.gz ZBMSLWQUCDIFGO-LJQANCHMSA-N 1 3 299.462 3.632 20 30 CHEDHO C[C@H]1C[C@H](NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726286 331295968 /nfs/dbraw/zinc/29/59/68/331295968.db2.gz DSWKYXIBOQIJCJ-FUHWJXTLSA-N 1 3 299.462 3.569 20 30 CHEDHO C[C@H]1C[C@H](NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726286 331295969 /nfs/dbraw/zinc/29/59/69/331295969.db2.gz DSWKYXIBOQIJCJ-FUHWJXTLSA-N 1 3 299.462 3.569 20 30 CHEDHO C=CCCCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209442278 1118061841 /nfs/dbraw/zinc/06/18/41/1118061841.db2.gz PGDVJVFZTCEPHL-UHFFFAOYSA-N 1 3 264.457 3.541 20 30 CHEDHO C[N@@H+]1CC[C@@H](N[C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980671 1127648850 /nfs/dbraw/zinc/64/88/50/1127648850.db2.gz NQTNIZGWBQZRHY-MSOLQXFVSA-N 1 3 299.462 3.884 20 30 CHEDHO C[N@H+]1CC[C@@H](N[C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980671 1127648852 /nfs/dbraw/zinc/64/88/52/1127648852.db2.gz NQTNIZGWBQZRHY-MSOLQXFVSA-N 1 3 299.462 3.884 20 30 CHEDHO C=CCCC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764408 1128141208 /nfs/dbraw/zinc/14/12/08/1128141208.db2.gz HDYLAVVBQGMCQA-NJAFHUGGSA-N 1 3 272.436 3.672 20 30 CHEDHO CCCCCCC/C=C/CN1CC2(C1)CC[NH+](C)CC2 ZINC001208124681 1117802844 /nfs/dbraw/zinc/80/28/44/1117802844.db2.gz XOHKWAZHDHOTAZ-MDZDMXLPSA-N 1 3 278.484 3.931 20 30 CHEDHO C=CCCCCCCC[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206768098 1117828222 /nfs/dbraw/zinc/82/82/22/1117828222.db2.gz HBELMZCQYPIRHN-HOTGVXAUSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206768098 1117828224 /nfs/dbraw/zinc/82/82/24/1117828224.db2.gz HBELMZCQYPIRHN-HOTGVXAUSA-N 1 3 252.446 3.572 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120150 1118498635 /nfs/dbraw/zinc/49/86/35/1118498635.db2.gz UVPAJZZHMGZNSX-BZUAXINKSA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120150 1118498637 /nfs/dbraw/zinc/49/86/37/1118498637.db2.gz UVPAJZZHMGZNSX-BZUAXINKSA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000926120150 1118498638 /nfs/dbraw/zinc/49/86/38/1118498638.db2.gz UVPAJZZHMGZNSX-BZUAXINKSA-N 1 3 291.483 3.557 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000167763646 1119126171 /nfs/dbraw/zinc/12/61/71/1119126171.db2.gz IBTXKSAOEAQJHJ-HZPDHXFCSA-N 1 3 254.462 3.654 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000167763646 1119126172 /nfs/dbraw/zinc/12/61/72/1119126172.db2.gz IBTXKSAOEAQJHJ-HZPDHXFCSA-N 1 3 254.462 3.654 20 30 CHEDHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000052208868 1119323494 /nfs/dbraw/zinc/32/34/94/1119323494.db2.gz KXLCYKUUIIJKFM-UHFFFAOYSA-N 1 3 299.462 3.502 20 30 CHEDHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000052208868 1119323498 /nfs/dbraw/zinc/32/34/98/1119323498.db2.gz KXLCYKUUIIJKFM-UHFFFAOYSA-N 1 3 299.462 3.502 20 30 CHEDHO C=CCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248735313 1119535592 /nfs/dbraw/zinc/53/55/92/1119535592.db2.gz NMZDLACYLKVDEN-WMZOPIPTSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248735313 1119535594 /nfs/dbraw/zinc/53/55/94/1119535594.db2.gz NMZDLACYLKVDEN-WMZOPIPTSA-N 1 3 276.468 3.682 20 30 CHEDHO CCCCCCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228082681 1120767958 /nfs/dbraw/zinc/76/79/58/1120767958.db2.gz URTCENJMYGCFKC-QGZVFWFLSA-N 1 3 266.473 3.813 20 30 CHEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466484 1120981632 /nfs/dbraw/zinc/98/16/32/1120981632.db2.gz UMFUWHSOVMESRP-SJLPKXTDSA-N 1 3 278.484 3.833 20 30 CHEDHO CCCCN(CCC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167828052 1121006420 /nfs/dbraw/zinc/00/64/20/1121006420.db2.gz VPKUEHNAODAKPX-MRXNPFEDSA-N 1 3 267.461 3.513 20 30 CHEDHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511215 1124482902 /nfs/dbraw/zinc/48/29/02/1124482902.db2.gz SKPFORGXKYGIAD-QFBILLFUSA-N 1 3 299.462 3.863 20 30 CHEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNCC[C@@H]1C ZINC001246025921 1131276231 /nfs/dbraw/zinc/27/62/31/1131276231.db2.gz ZZOGWYDKHPYZBL-ZWKOTPCHSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1CCNCC[C@@H]1C ZINC001246025921 1131276233 /nfs/dbraw/zinc/27/62/33/1131276233.db2.gz ZZOGWYDKHPYZBL-ZWKOTPCHSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246187319 1131384692 /nfs/dbraw/zinc/38/46/92/1131384692.db2.gz GLKREBTYRUHDIC-HRCADAONSA-N 1 3 254.462 3.841 20 30 CHEDHO CC1(C)C[NH2+]CC[C@@H](N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000902388790 1130005530 /nfs/dbraw/zinc/00/55/30/1130005530.db2.gz QKPKJMLPAZRBFG-MSOLQXFVSA-N 1 3 299.462 3.789 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236820010 1131014165 /nfs/dbraw/zinc/01/41/65/1131014165.db2.gz PJSSABSYPOYFOD-PNSADGCTSA-N 1 3 264.457 3.572 20 30 CHEDHO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246242618 1131426510 /nfs/dbraw/zinc/42/65/10/1131426510.db2.gz GBAHQHKRXZCMLQ-OAGGEKHMSA-N 1 3 254.462 3.856 20 30 CHEDHO CN1C(C)(C)CC([NH2+]CCCCCCS)CC1(C)C ZINC001171630066 1132061703 /nfs/dbraw/zinc/06/17/03/1132061703.db2.gz HCGZLBGYXUIRRY-UHFFFAOYSA-N 1 3 286.529 3.718 20 30 CHEDHO C=C(C)[C@@H]1CC=C(CN(C)C2CC[NH+](CC)CC2)CC1 ZINC001208176653 1133896231 /nfs/dbraw/zinc/89/62/31/1133896231.db2.gz JFUYYDJWKNWYRA-QGZVFWFLSA-N 1 3 276.468 3.705 20 30 CHEDHO C=CCC[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948607 263367912 /nfs/dbraw/zinc/36/79/12/263367912.db2.gz VDDVTIFANFZAED-MSOLQXFVSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948607 263367914 /nfs/dbraw/zinc/36/79/14/263367914.db2.gz VDDVTIFANFZAED-MSOLQXFVSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000341948607 263367915 /nfs/dbraw/zinc/36/79/15/263367915.db2.gz VDDVTIFANFZAED-MSOLQXFVSA-N 1 3 272.436 3.768 20 30 CHEDHO C=C(CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423034596 330166337 /nfs/dbraw/zinc/16/63/37/330166337.db2.gz XPHHVPXLXZHIQG-PMACEKPBSA-N 1 3 292.426 3.783 20 30 CHEDHO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000467412774 331418248 /nfs/dbraw/zinc/41/82/48/331418248.db2.gz UJMCNYBRKWUZSQ-NVXWUHKLSA-N 1 3 290.451 3.632 20 30 CHEDHO C=CCCCCCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235174246 1128311801 /nfs/dbraw/zinc/31/18/01/1128311801.db2.gz SNDYCWYZKLMWOR-QGZVFWFLSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235174246 1128311804 /nfs/dbraw/zinc/31/18/04/1128311804.db2.gz SNDYCWYZKLMWOR-QGZVFWFLSA-N 1 3 264.457 3.731 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC000088363155 1118273232 /nfs/dbraw/zinc/27/32/32/1118273232.db2.gz RFGFGSFJANWYEN-INIZCTEOSA-N 1 3 254.462 3.798 20 30 CHEDHO CCCCCCCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC000088363155 1118273236 /nfs/dbraw/zinc/27/32/36/1118273236.db2.gz RFGFGSFJANWYEN-INIZCTEOSA-N 1 3 254.462 3.798 20 30 CHEDHO CCCCCCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000088363155 1118273238 /nfs/dbraw/zinc/27/32/38/1118273238.db2.gz RFGFGSFJANWYEN-INIZCTEOSA-N 1 3 254.462 3.798 20 30 CHEDHO C=CCCC[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001175353480 1121293685 /nfs/dbraw/zinc/29/36/85/1121293685.db2.gz ZXYVVPCKTJYQKP-KRWDZBQOSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001175353480 1121293690 /nfs/dbraw/zinc/29/36/90/1121293690.db2.gz ZXYVVPCKTJYQKP-KRWDZBQOSA-N 1 3 264.457 3.539 20 30 CHEDHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(C#N)cc1 ZINC000572708175 1121394451 /nfs/dbraw/zinc/39/44/51/1121394451.db2.gz WRNODFJFJZSGDF-QFBILLFUSA-N 1 3 299.462 3.721 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)C1 ZINC001201567263 1123125843 /nfs/dbraw/zinc/12/58/43/1123125843.db2.gz WGLOOZZIQASILD-KURKYZTESA-N 1 3 278.484 3.689 20 30 CHEDHO C=CCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001258720612 1129548127 /nfs/dbraw/zinc/54/81/27/1129548127.db2.gz CBVRMGGGBSVBLJ-HNNXBMFYSA-N 1 3 264.457 3.728 20 30 CHEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001258724479 1129581596 /nfs/dbraw/zinc/58/15/96/1129581596.db2.gz XKKBHZOEEPRCBW-CQSZACIVSA-N 1 3 292.854 3.945 20 30 CHEDHO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H](N)C1 ZINC001246187320 1131384357 /nfs/dbraw/zinc/38/43/57/1131384357.db2.gz GLKREBTYRUHDIC-JYJNAYRXSA-N 1 3 254.462 3.841 20 30 CHEDHO CCCCCCC[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246228993 1131415738 /nfs/dbraw/zinc/41/57/38/1131415738.db2.gz HTQCFWMXIBGNFC-HUUCEWRRSA-N 1 3 254.462 3.713 20 30 CHEDHO CCCCCCC[N@@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232013876 1132410927 /nfs/dbraw/zinc/41/09/27/1132410927.db2.gz FANCGUXEPMQBPW-UHFFFAOYSA-N 1 3 259.397 3.965 20 30 CHEDHO CCCCCCC[N@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232013876 1132410923 /nfs/dbraw/zinc/41/09/23/1132410923.db2.gz FANCGUXEPMQBPW-UHFFFAOYSA-N 1 3 259.397 3.965 20 30 CHEDHO CCCCCCCC[C@H](CCC)[NH2+]C1CC(N)C1 ZINC001173309247 1132449864 /nfs/dbraw/zinc/44/98/64/1132449864.db2.gz GQZZBRDBVYMGEI-PCKAHOCUSA-N 1 3 254.462 3.985 20 30 CHEDHO C=CCCN(Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207286483 1133789087 /nfs/dbraw/zinc/78/90/87/1133789087.db2.gz UCUULWRSDFIQFA-UHFFFAOYSA-N 1 3 274.452 3.653 20 30 CHEDHO CCCCCCC/C=C/C[NH+]1CCC2(CN(C)C2)CC1 ZINC001208124560 1133881015 /nfs/dbraw/zinc/88/10/15/1133881015.db2.gz SQJDVQBHDDFEAN-MDZDMXLPSA-N 1 3 278.484 3.931 20 30 CHEDHO C=CCCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209207071 1133987368 /nfs/dbraw/zinc/98/73/68/1133987368.db2.gz KDLYULKGTOTRFY-IRXDYDNUSA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCCCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209207071 1133987372 /nfs/dbraw/zinc/98/73/72/1133987372.db2.gz KDLYULKGTOTRFY-IRXDYDNUSA-N 1 3 264.457 3.682 20 30 CHEDHO CCCCCCCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596640 1135254375 /nfs/dbraw/zinc/25/43/75/1135254375.db2.gz ZIDOCOKSWIBABD-GOSISDBHSA-N 1 3 286.463 3.646 20 30 CHEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)cc2)CC1 ZINC000153027943 260680236 /nfs/dbraw/zinc/68/02/36/260680236.db2.gz FAZRSPOZIPUTRN-CQSZACIVSA-N 1 3 276.399 3.517 20 30 CHEDHO C=CCN(Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414682813 328213770 /nfs/dbraw/zinc/21/37/70/328213770.db2.gz RZOLPNGUWHMNCU-STQMWFEESA-N 1 3 298.883 3.778 20 30 CHEDHO C=C(C)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000274855489 330107962 /nfs/dbraw/zinc/10/79/62/330107962.db2.gz SADBFYOFPJGKMW-UHFFFAOYSA-N 1 3 287.451 3.586 20 30 CHEDHO C=C(C)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000274855489 330107963 /nfs/dbraw/zinc/10/79/63/330107963.db2.gz SADBFYOFPJGKMW-UHFFFAOYSA-N 1 3 287.451 3.586 20 30 CHEDHO C=C(C)[C@H](NC1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423054430 330170581 /nfs/dbraw/zinc/17/05/81/330170581.db2.gz UJYAUKJOOYSRLT-AJUCZRQESA-N 1 3 294.389 3.689 20 30 CHEDHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293898 330187966 /nfs/dbraw/zinc/18/79/66/330187966.db2.gz SKPSORVAUJUXRL-LIRRHRJNSA-N 1 3 293.414 3.819 20 30 CHEDHO C=CCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246695360 1119406938 /nfs/dbraw/zinc/40/69/38/1119406938.db2.gz KRGQKUJXKGYDAP-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246695360 1119406941 /nfs/dbraw/zinc/40/69/41/1119406941.db2.gz KRGQKUJXKGYDAP-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C[C@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1C=C ZINC000489437281 1127103729 /nfs/dbraw/zinc/10/37/29/1127103729.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1C=C ZINC000489437281 1127103732 /nfs/dbraw/zinc/10/37/32/1127103732.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@H]1C=C ZINC000489437281 1127103735 /nfs/dbraw/zinc/10/37/35/1127103735.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@H]1C=C ZINC000489437281 1127103738 /nfs/dbraw/zinc/10/37/38/1127103738.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 1 3 274.452 3.624 20 30 CHEDHO C=CCCCCCCCC[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206770106 1117856277 /nfs/dbraw/zinc/85/62/77/1117856277.db2.gz QUTPQZLUFVMDQK-IAGOWNOFSA-N 1 3 266.473 3.962 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206770106 1117856283 /nfs/dbraw/zinc/85/62/83/1117856283.db2.gz QUTPQZLUFVMDQK-IAGOWNOFSA-N 1 3 266.473 3.962 20 30 CHEDHO C=C(C)CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000509702515 1120061706 /nfs/dbraw/zinc/06/17/06/1120061706.db2.gz ZQWJYLOWOXTUHD-DLBZAZTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000509702515 1120061710 /nfs/dbraw/zinc/06/17/10/1120061710.db2.gz ZQWJYLOWOXTUHD-DLBZAZTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000509702516 1120061978 /nfs/dbraw/zinc/06/19/78/1120061978.db2.gz ZQWJYLOWOXTUHD-IAGOWNOFSA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000509702516 1120061981 /nfs/dbraw/zinc/06/19/81/1120061981.db2.gz ZQWJYLOWOXTUHD-IAGOWNOFSA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000509638186 1124133767 /nfs/dbraw/zinc/13/37/67/1124133767.db2.gz CAIHDQFKHLZERZ-KRWDZBQOSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000449130235 1124652852 /nfs/dbraw/zinc/65/28/52/1124652852.db2.gz GBMHKXKPDSUAAJ-SJORKVTESA-N 1 3 266.473 3.831 20 30 CHEDHO CCCCCCC[C@H](CC(C)C)[NH2+]CC1(C)CNC1 ZINC001246091427 1131304315 /nfs/dbraw/zinc/30/43/15/1131304315.db2.gz AIOHPIJDDQXMAD-MRXNPFEDSA-N 1 3 268.489 3.961 20 30 CHEDHO C=CCCC[C@H](C)N1CCC(CC)([NH+](C)C)CC1 ZINC000640016915 1125367529 /nfs/dbraw/zinc/36/75/29/1125367529.db2.gz GEUBTXQQUPGMDJ-HNNXBMFYSA-N 1 3 252.446 3.537 20 30 CHEDHO CCCCCCC[C@H](CC)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246221807 1131409604 /nfs/dbraw/zinc/40/96/04/1131409604.db2.gz LGKICOPQBMVQJQ-PMPSAXMXSA-N 1 3 272.452 3.663 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235405492 1130738994 /nfs/dbraw/zinc/73/89/94/1130738994.db2.gz PHXARJHFUITYAC-IAGOWNOFSA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235405492 1130738999 /nfs/dbraw/zinc/73/89/99/1130738999.db2.gz PHXARJHFUITYAC-IAGOWNOFSA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405492 1130739002 /nfs/dbraw/zinc/73/90/02/1130739002.db2.gz PHXARJHFUITYAC-IAGOWNOFSA-N 1 3 284.463 3.761 20 30 CHEDHO C=CCN(Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235962540 1130819533 /nfs/dbraw/zinc/81/95/33/1130819533.db2.gz MVYXUUGIYNLRNR-UHFFFAOYSA-N 1 3 292.426 3.521 20 30 CHEDHO C=CCN(CCC[NH2+]C1CCCCC1)C(C)(C)C ZINC001236309398 1130912278 /nfs/dbraw/zinc/91/22/78/1130912278.db2.gz KNXRAOGUUGUAQV-UHFFFAOYSA-N 1 3 252.446 3.585 20 30 CHEDHO C=CCCCCCCC[N@@H+](CCOCC)C1CCNCC1 ZINC001236460816 1130946058 /nfs/dbraw/zinc/94/60/58/1130946058.db2.gz SNJXNGWLANNDDE-UHFFFAOYSA-N 1 3 296.499 3.604 20 30 CHEDHO C=CCCCCCCC[N@H+](CCOCC)C1CCNCC1 ZINC001236460816 1130946063 /nfs/dbraw/zinc/94/60/63/1130946063.db2.gz SNJXNGWLANNDDE-UHFFFAOYSA-N 1 3 296.499 3.604 20 30 CHEDHO C=CCCCCCCCN(CCOCC)C1CC[NH2+]CC1 ZINC001236460816 1130946068 /nfs/dbraw/zinc/94/60/68/1130946068.db2.gz SNJXNGWLANNDDE-UHFFFAOYSA-N 1 3 296.499 3.604 20 30 CHEDHO CCCCCCCC[C@H](CCC)[NH2+][C@]1(CCO)CCNC1 ZINC001246291499 1131447753 /nfs/dbraw/zinc/44/77/53/1131447753.db2.gz HCTAQBVWLLPGAA-ROUUACIJSA-N 1 3 298.515 3.610 20 30 CHEDHO C[C@H](CCCC#N)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172489542 1132247140 /nfs/dbraw/zinc/24/71/40/1132247140.db2.gz UTPOENJLQTWDIW-MRXNPFEDSA-N 1 3 291.483 3.703 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205904517 1133628576 /nfs/dbraw/zinc/62/85/76/1133628576.db2.gz VRYXSPWPPPXQDA-JKSUJKDBSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCCC[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205904517 1133628579 /nfs/dbraw/zinc/62/85/79/1133628579.db2.gz VRYXSPWPPPXQDA-JKSUJKDBSA-N 1 3 254.462 3.796 20 30 CHEDHO C=CCCCCCCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595587 1135254580 /nfs/dbraw/zinc/25/45/80/1135254580.db2.gz DLYZPTQVWXGERF-IBGZPJMESA-N 1 3 298.474 3.812 20 30 CHEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2csc(C)c2)CC1 ZINC000297542404 260128432 /nfs/dbraw/zinc/12/84/32/260128432.db2.gz FCRJNGXGRQFPMX-CQSZACIVSA-N 1 3 278.465 3.748 20 30 CHEDHO C[C@H](CCC#N)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276319291 263036132 /nfs/dbraw/zinc/03/61/32/263036132.db2.gz OKEYPWGJCATRIB-QGZVFWFLSA-N 1 3 299.462 3.523 20 30 CHEDHO C[C@H](CCC#N)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000276319291 263036133 /nfs/dbraw/zinc/03/61/33/263036133.db2.gz OKEYPWGJCATRIB-QGZVFWFLSA-N 1 3 299.462 3.523 20 30 CHEDHO CC(C)(CCC#N)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000177583116 329187982 /nfs/dbraw/zinc/18/79/82/329187982.db2.gz SXYATATWCZEOPR-UHFFFAOYSA-N 1 3 291.483 3.703 20 30 CHEDHO CC[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccc(C#N)cc1 ZINC000423199889 330176466 /nfs/dbraw/zinc/17/64/66/330176466.db2.gz LEWCKMRXXRQEHR-QGZVFWFLSA-N 1 3 285.435 3.651 20 30 CHEDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423291799 330187533 /nfs/dbraw/zinc/18/75/33/330187533.db2.gz JWKYOFUXPWRCOR-OLZOCXBDSA-N 1 3 297.377 3.568 20 30 CHEDHO C=C(CC)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453384278 331126335 /nfs/dbraw/zinc/12/63/35/331126335.db2.gz ZNGFNWVZVSZKKV-LDLYASANSA-N 1 3 284.447 3.738 20 30 CHEDHO C=C(CC)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453384278 331126336 /nfs/dbraw/zinc/12/63/36/331126336.db2.gz ZNGFNWVZVSZKKV-LDLYASANSA-N 1 3 284.447 3.738 20 30 CHEDHO CCCCCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201840148 1123155147 /nfs/dbraw/zinc/15/51/47/1123155147.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201840148 1123155148 /nfs/dbraw/zinc/15/51/48/1123155148.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001201840148 1123155151 /nfs/dbraw/zinc/15/51/51/1123155151.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001201840148 1123155152 /nfs/dbraw/zinc/15/51/52/1123155152.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 1 3 266.473 3.621 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606283 1133726994 /nfs/dbraw/zinc/72/69/94/1133726994.db2.gz JBRHECFOAICFCJ-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000467415259 1127968005 /nfs/dbraw/zinc/96/80/05/1127968005.db2.gz YHMHMRYUFYBEJY-IYWMVGAKSA-N 1 3 298.474 3.841 20 30 CHEDHO C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185668367 1118063468 /nfs/dbraw/zinc/06/34/68/1118063468.db2.gz NNQWAWRJRPOFMH-HZPDHXFCSA-N 1 3 291.483 3.559 20 30 CHEDHO C=CCCCCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209445668 1118063510 /nfs/dbraw/zinc/06/35/10/1118063510.db2.gz MECJYWUUMHHLLO-QZTJIDSGSA-N 1 3 278.484 3.787 20 30 CHEDHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443392 1120530034 /nfs/dbraw/zinc/53/00/34/1120530034.db2.gz SIYVRLCWNBLQMV-RHSMWYFYSA-N 1 3 287.451 3.575 20 30 CHEDHO C=CCCC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764410 1120926153 /nfs/dbraw/zinc/92/61/53/1120926153.db2.gz HDYLAVVBQGMCQA-SZMVWBNQSA-N 1 3 272.436 3.672 20 30 CHEDHO C=CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420296379 1121994795 /nfs/dbraw/zinc/99/47/95/1121994795.db2.gz BQPFCLKHMAAMFD-ZDUSSCGKSA-N 1 3 298.883 3.779 20 30 CHEDHO C#C[C@@](C)(CC)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021949 1123429493 /nfs/dbraw/zinc/42/94/93/1123429493.db2.gz RNFNKXSEEXNWFR-HNJRGHQBSA-N 1 3 298.474 3.820 20 30 CHEDHO C#C[C@@](C)(CC)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021949 1123429495 /nfs/dbraw/zinc/42/94/95/1123429495.db2.gz RNFNKXSEEXNWFR-HNJRGHQBSA-N 1 3 298.474 3.820 20 30 CHEDHO C=C(CC)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449736819 1124855185 /nfs/dbraw/zinc/85/51/85/1124855185.db2.gz WMYHLDOPUNDLGC-KRWDZBQOSA-N 1 3 286.463 3.638 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206037826 1130314645 /nfs/dbraw/zinc/31/46/45/1130314645.db2.gz XXLYCCSFZBXFRI-HZPDHXFCSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206037826 1130314652 /nfs/dbraw/zinc/31/46/52/1130314652.db2.gz XXLYCCSFZBXFRI-HZPDHXFCSA-N 1 3 252.446 3.572 20 30 CHEDHO CCCCCCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979870 1130700715 /nfs/dbraw/zinc/70/07/15/1130700715.db2.gz SSOTZKPVFNMVMC-CALCHBBNSA-N 1 3 266.473 3.668 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235399383 1130739519 /nfs/dbraw/zinc/73/95/19/1130739519.db2.gz AWHNOLLCHACELK-QZTJIDSGSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235399383 1130739524 /nfs/dbraw/zinc/73/95/24/1130739524.db2.gz AWHNOLLCHACELK-QZTJIDSGSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399383 1130739529 /nfs/dbraw/zinc/73/95/29/1130739529.db2.gz AWHNOLLCHACELK-QZTJIDSGSA-N 1 3 296.474 3.927 20 30 CHEDHO CCCCCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235946695 1130812447 /nfs/dbraw/zinc/81/24/47/1130812447.db2.gz POCKPLFLGWJIGI-UHFFFAOYSA-N 1 3 298.515 3.828 20 30 CHEDHO CCCCCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235946695 1130812452 /nfs/dbraw/zinc/81/24/52/1130812452.db2.gz POCKPLFLGWJIGI-UHFFFAOYSA-N 1 3 298.515 3.828 20 30 CHEDHO CCCCCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235946695 1130812459 /nfs/dbraw/zinc/81/24/59/1130812459.db2.gz POCKPLFLGWJIGI-UHFFFAOYSA-N 1 3 298.515 3.828 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@](C)(CN)C1 ZINC001236603700 1130981894 /nfs/dbraw/zinc/98/18/94/1130981894.db2.gz CPRLNLPXDNYHLQ-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC001236603700 1130981898 /nfs/dbraw/zinc/98/18/98/1130981898.db2.gz CPRLNLPXDNYHLQ-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000817985323 1131195321 /nfs/dbraw/zinc/19/53/21/1131195321.db2.gz IYTISYMRUIAFJR-CVEARBPZSA-N 1 3 264.457 3.776 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606283 1133726988 /nfs/dbraw/zinc/72/69/88/1133726988.db2.gz JBRHECFOAICFCJ-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001208120162 1133880607 /nfs/dbraw/zinc/88/06/07/1133880607.db2.gz LZXBNKSEWXMDPK-UIVAWZFMSA-N 1 3 278.484 3.787 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001208120162 1133880614 /nfs/dbraw/zinc/88/06/14/1133880614.db2.gz LZXBNKSEWXMDPK-UIVAWZFMSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209204645 1133987908 /nfs/dbraw/zinc/98/79/08/1133987908.db2.gz GSYBRPADCJDNDB-UHFFFAOYSA-N 1 3 298.474 3.865 20 30 CHEDHO C=CCCCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209204645 1133987913 /nfs/dbraw/zinc/98/79/13/1133987913.db2.gz GSYBRPADCJDNDB-UHFFFAOYSA-N 1 3 298.474 3.865 20 30 CHEDHO C=CCCCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209207090 1133988625 /nfs/dbraw/zinc/98/86/25/1133988625.db2.gz LDJBRWDFPAUILR-UHFFFAOYSA-N 1 3 298.474 3.941 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222238027 1135212610 /nfs/dbraw/zinc/21/26/10/1135212610.db2.gz YREBZDYCQPLYRN-QGZVFWFLSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222238027 1135212614 /nfs/dbraw/zinc/21/26/14/1135212614.db2.gz YREBZDYCQPLYRN-QGZVFWFLSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCC[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000285917935 264565198 /nfs/dbraw/zinc/56/51/98/264565198.db2.gz CGSYMGIEPFAMKS-OAHLLOKOSA-N 1 3 276.424 3.608 20 30 CHEDHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185762058 327844610 /nfs/dbraw/zinc/84/46/10/327844610.db2.gz QSJRXHHXYAJMOK-LPHOPBHVSA-N 1 3 299.462 3.700 20 30 CHEDHO C=CC(C)(C)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527734807 330278563 /nfs/dbraw/zinc/27/85/63/330278563.db2.gz JRTUJLUZGYHZNR-UHFFFAOYSA-N 1 3 278.484 3.975 20 30 CHEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000537046891 330394366 /nfs/dbraw/zinc/39/43/66/330394366.db2.gz PUXDXDSRCAILPO-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000537046891 330394367 /nfs/dbraw/zinc/39/43/67/330394367.db2.gz PUXDXDSRCAILPO-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000537046891 330394368 /nfs/dbraw/zinc/39/43/68/330394368.db2.gz PUXDXDSRCAILPO-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000459579764 331289132 /nfs/dbraw/zinc/28/91/32/331289132.db2.gz ZJSHRPXQDIWJMW-UHFFFAOYSA-N 1 3 299.462 3.777 20 30 CHEDHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(C#N)cc1 ZINC000278173397 522564009 /nfs/dbraw/zinc/56/40/09/522564009.db2.gz CPYHQSJSWKFNKR-IBGZPJMESA-N 1 3 299.462 3.719 20 30 CHEDHO CC[C@H](NCc1ccccc1C[NH2+]C)c1ccc(C#N)cc1 ZINC000593323094 1127537895 /nfs/dbraw/zinc/53/78/95/1127537895.db2.gz PLJDLARQCQPYIH-IBGZPJMESA-N 1 3 293.414 3.519 20 30 CHEDHO C[N@@H+]1CC[C@@H](N[C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980672 1127649269 /nfs/dbraw/zinc/64/92/69/1127649269.db2.gz NQTNIZGWBQZRHY-QZTJIDSGSA-N 1 3 299.462 3.884 20 30 CHEDHO C[N@H+]1CC[C@@H](N[C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980672 1127649272 /nfs/dbraw/zinc/64/92/72/1127649272.db2.gz NQTNIZGWBQZRHY-QZTJIDSGSA-N 1 3 299.462 3.884 20 30 CHEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540147722 1127962720 /nfs/dbraw/zinc/96/27/20/1127962720.db2.gz PWPVSUASAPKXII-WMZOPIPTSA-N 1 3 278.484 3.689 20 30 CHEDHO CCCCCCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235172355 1128311948 /nfs/dbraw/zinc/31/19/48/1128311948.db2.gz MATRZARJJNZMJS-INIZCTEOSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235172355 1128311954 /nfs/dbraw/zinc/31/19/54/1128311954.db2.gz MATRZARJJNZMJS-INIZCTEOSA-N 1 3 252.446 3.565 20 30 CHEDHO C=CCCCCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000573934171 1128659872 /nfs/dbraw/zinc/65/98/72/1128659872.db2.gz QQCICRPBQRHBGW-UHFFFAOYSA-N 1 3 264.457 3.729 20 30 CHEDHO CCCCCCC/C=C/CN(C)C1CC[NH+](C)CC1 ZINC001208119934 1117799890 /nfs/dbraw/zinc/79/98/90/1117799890.db2.gz JDHHBBYYBADWBM-ZHACJKMWSA-N 1 3 266.473 3.929 20 30 CHEDHO C=C(C)CCN1CCC[C@@H]([N@H+](C)CCC(=C)C)CC1 ZINC000508975770 1120566640 /nfs/dbraw/zinc/56/66/40/1120566640.db2.gz HAQSIKDHUDBDAU-QGZVFWFLSA-N 1 3 264.457 3.705 20 30 CHEDHO C=C(C)CCN1CCC[C@@H]([N@@H+](C)CCC(=C)C)CC1 ZINC000508975770 1120566644 /nfs/dbraw/zinc/56/66/44/1120566644.db2.gz HAQSIKDHUDBDAU-QGZVFWFLSA-N 1 3 264.457 3.705 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000651758788 1120736641 /nfs/dbraw/zinc/73/66/41/1120736641.db2.gz NVQIVUYOKBGWFA-MLHJIOFPSA-N 1 3 290.495 3.974 20 30 CHEDHO CCC1([NH3+])CCN([C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000925756872 1120902282 /nfs/dbraw/zinc/90/22/82/1120902282.db2.gz BIKOAARPFBXBJL-SFHVURJKSA-N 1 3 297.446 3.529 20 30 CHEDHO C=CCC[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000850503027 1123276272 /nfs/dbraw/zinc/27/62/72/1123276272.db2.gz ZZINAXQZEJVMHZ-HNNXBMFYSA-N 1 3 290.451 3.764 20 30 CHEDHO CCCCCCCCCCCC[C@H](O)CN[C@H](C)C[NH3+] ZINC001245981833 1131264525 /nfs/dbraw/zinc/26/45/25/1131264525.db2.gz MXSOHUNRPGVILG-SJORKVTESA-N 1 3 286.504 3.595 20 30 CHEDHO CCCCCCCCCC[C@H](O)CNCC[C@H]1CCC[NH2+]1 ZINC001245990972 1131265056 /nfs/dbraw/zinc/26/50/56/1131265056.db2.gz ADHIXNPPOLCDJM-MSOLQXFVSA-N 1 3 298.515 3.610 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394235 1130739117 /nfs/dbraw/zinc/73/91/17/1130739117.db2.gz CONCELJABRLPHV-PIIXRYACSA-N 1 3 296.474 3.912 20 30 CHEDHO CCCCCCC/C=C/CN1CC2(C1)CCC[NH2+]CC2 ZINC001236009910 1130832165 /nfs/dbraw/zinc/83/21/65/1130832165.db2.gz ZIWACSQCSALZRH-CMDGGOBGSA-N 1 3 278.484 3.979 20 30 CHEDHO C=CCCCCCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584535 1130980659 /nfs/dbraw/zinc/98/06/59/1130980659.db2.gz JHCBPCCVVHJVOB-QGZVFWFLSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCCCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584535 1130980661 /nfs/dbraw/zinc/98/06/61/1130980661.db2.gz JHCBPCCVVHJVOB-QGZVFWFLSA-N 1 3 278.484 3.977 20 30 CHEDHO CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246461291 1131510511 /nfs/dbraw/zinc/51/05/11/1131510511.db2.gz OPNGVYDHLGSKNW-OAGGEKHMSA-N 1 3 254.462 3.985 20 30 CHEDHO C=CC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716718470 1132030449 /nfs/dbraw/zinc/03/04/49/1132030449.db2.gz ONHYGIVJFIOLQE-BVBHFADKSA-N 1 3 284.447 3.594 20 30 CHEDHO CN1C(C)(C)CC([NH2+]C2CCC(CC#N)CC2)CC1(C)C ZINC001173328972 1132462646 /nfs/dbraw/zinc/46/26/46/1132462646.db2.gz WDQZCLHUKAOVBF-UHFFFAOYSA-N 1 3 291.483 3.700 20 30 CHEDHO CCCCCCCCCCCN1CCC([NH3+])CC1 ZINC001204646010 1133471091 /nfs/dbraw/zinc/47/10/91/1133471091.db2.gz GRICZIXOORPWMC-UHFFFAOYSA-N 1 3 254.462 3.940 20 30 CHEDHO CCCCCCC/C=C/CN1CCC[C@H]([NH3+])CC1 ZINC001205094172 1133527547 /nfs/dbraw/zinc/52/75/47/1133527547.db2.gz JWOYVUJWOATDPV-FDMDGMSGSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCC[C@@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935264 263139342 /nfs/dbraw/zinc/13/93/42/263139342.db2.gz FPQBUSGZSXGKML-KDOFPFPSSA-N 1 3 268.404 3.784 20 30 CHEDHO C=CCC[C@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000341931397 263368911 /nfs/dbraw/zinc/36/89/11/263368911.db2.gz OPKKNOCOXIZXHB-SFHVURJKSA-N 1 3 272.436 3.769 20 30 CHEDHO C=CCC[C@H]([NH2+]CCCN1CCCC1)c1ccccc1 ZINC000341931397 263368914 /nfs/dbraw/zinc/36/89/14/263368914.db2.gz OPKKNOCOXIZXHB-SFHVURJKSA-N 1 3 272.436 3.769 20 30 CHEDHO C=C(CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423034597 330166243 /nfs/dbraw/zinc/16/62/43/330166243.db2.gz XPHHVPXLXZHIQG-UXHICEINSA-N 1 3 292.426 3.783 20 30 CHEDHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)c(F)c1 ZINC000423291800 330187336 /nfs/dbraw/zinc/18/73/36/330187336.db2.gz JWKYOFUXPWRCOR-QWHCGFSZSA-N 1 3 297.377 3.568 20 30 CHEDHO C=CCC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000089215349 330381265 /nfs/dbraw/zinc/38/12/65/330381265.db2.gz ZBMSLWQUCDIFGO-IBGZPJMESA-N 1 3 299.462 3.632 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000467405835 331417833 /nfs/dbraw/zinc/41/78/33/331417833.db2.gz HSMOWZDOIWGUEZ-SOLBZPMBSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CC1 ZINC000544373253 333927565 /nfs/dbraw/zinc/92/75/65/333927565.db2.gz WAKFCBJOKYLLBY-NVXWUHKLSA-N 1 3 264.457 3.585 20 30 CHEDHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833107 522864241 /nfs/dbraw/zinc/86/42/41/522864241.db2.gz UFUJGPUGRXJIHX-IEBWSBKVSA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC1 ZINC000439084507 1122751696 /nfs/dbraw/zinc/75/16/96/1122751696.db2.gz LBCCTKVNHJGLLQ-DOTOQJQBSA-N 1 3 264.457 3.585 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205904745 1123069707 /nfs/dbraw/zinc/06/97/07/1123069707.db2.gz XELFPXIVIQARCN-CVEARBPZSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205904745 1123069711 /nfs/dbraw/zinc/06/97/11/1123069711.db2.gz XELFPXIVIQARCN-CVEARBPZSA-N 1 3 252.446 3.572 20 30 CHEDHO CCCCCCCCN1CCC([NH+]2CCC2)CC1 ZINC001201839884 1123155367 /nfs/dbraw/zinc/15/53/67/1123155367.db2.gz LNRWCYPHEFUQCM-UHFFFAOYSA-N 1 3 252.446 3.517 20 30 CHEDHO C=C(C)C[NH+]1CCC(N[C@@H](CCC)c2cccnc2)CC1 ZINC000185384331 1126899826 /nfs/dbraw/zinc/89/98/26/1126899826.db2.gz QMHAYSSVPFLIOO-SFHVURJKSA-N 1 3 287.451 3.553 20 30 CHEDHO C=CC[N@H+](Cc1ccccc1)C1CCN(CC2CC2)CC1 ZINC001168387570 1127214431 /nfs/dbraw/zinc/21/44/31/1127214431.db2.gz KZSDFSKLEJNWPN-UHFFFAOYSA-N 1 3 284.447 3.549 20 30 CHEDHO C=CC[N@@H+](Cc1ccccc1)C1CCN(CC2CC2)CC1 ZINC001168387570 1127214434 /nfs/dbraw/zinc/21/44/34/1127214434.db2.gz KZSDFSKLEJNWPN-UHFFFAOYSA-N 1 3 284.447 3.549 20 30 CHEDHO C[N@@H+]1CC[C@H](N[C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980674 1127649393 /nfs/dbraw/zinc/64/93/93/1127649393.db2.gz NQTNIZGWBQZRHY-ZWKOTPCHSA-N 1 3 299.462 3.884 20 30 CHEDHO C[N@H+]1CC[C@H](N[C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980674 1127649397 /nfs/dbraw/zinc/64/93/97/1127649397.db2.gz NQTNIZGWBQZRHY-ZWKOTPCHSA-N 1 3 299.462 3.884 20 30 CHEDHO C=CC[C@@H](CC)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000367084575 1127750223 /nfs/dbraw/zinc/75/02/23/1127750223.db2.gz BEECNJYXPFWUFR-OAHLLOKOSA-N 1 3 264.457 3.728 20 30 CHEDHO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000467415258 1127968039 /nfs/dbraw/zinc/96/80/39/1127968039.db2.gz YHMHMRYUFYBEJY-FUMNGEBKSA-N 1 3 298.474 3.841 20 30 CHEDHO C[NH+](C)CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569394 1128587980 /nfs/dbraw/zinc/58/79/80/1128587980.db2.gz QEDATJMGMJPKIU-MSOLQXFVSA-N 1 3 299.462 3.502 20 30 CHEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@@H](N(C)C)C3)C[C@H](C1)C2 ZINC000715562438 1120129974 /nfs/dbraw/zinc/12/99/74/1120129974.db2.gz PNEAWSHLGAQAMR-GFHHTVLPSA-N 1 3 276.468 3.584 20 30 CHEDHO CCCCN(CCC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167828051 1121006448 /nfs/dbraw/zinc/00/64/48/1121006448.db2.gz VPKUEHNAODAKPX-INIZCTEOSA-N 1 3 267.461 3.513 20 30 CHEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665230608 1123234593 /nfs/dbraw/zinc/23/45/93/1123234593.db2.gz RYVNDDXLJIKIKT-HDMKZQKVSA-N 1 3 287.451 3.634 20 30 CHEDHO C=CCCCCCCCCN1CCC[C@H](C[NH2+]C)C1 ZINC001205009567 1123654097 /nfs/dbraw/zinc/65/40/97/1123654097.db2.gz XDGKVPYGWFGYQS-QGZVFWFLSA-N 1 3 266.473 3.835 20 30 CHEDHO C=C(C)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000509638188 1124133858 /nfs/dbraw/zinc/13/38/58/1124133858.db2.gz CAIHDQFKHLZERZ-QGZVFWFLSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000448028881 1124559652 /nfs/dbraw/zinc/55/96/52/1124559652.db2.gz PGNOJQXTAUKCKU-HSALFYBXSA-N 1 3 298.474 3.843 20 30 CHEDHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 ZINC000902792796 1130059148 /nfs/dbraw/zinc/05/91/48/1130059148.db2.gz DKIKGEQTLBJICX-HKUYNNGSSA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCCCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033204 1130702251 /nfs/dbraw/zinc/70/22/51/1130702251.db2.gz UYDYWVRKGJXLFG-QGZVFWFLSA-N 1 3 264.457 3.589 20 30 CHEDHO C=CCCCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373793 1130923426 /nfs/dbraw/zinc/92/34/26/1130923426.db2.gz LGLWDXXFSDIQGT-QGZVFWFLSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373793 1130923430 /nfs/dbraw/zinc/92/34/30/1130923430.db2.gz LGLWDXXFSDIQGT-QGZVFWFLSA-N 1 3 278.484 3.977 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236820007 1131013606 /nfs/dbraw/zinc/01/36/06/1131013606.db2.gz PJSSABSYPOYFOD-CVHJSEFTSA-N 1 3 264.457 3.572 20 30 CHEDHO C#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237886736 1131148742 /nfs/dbraw/zinc/14/87/42/1131148742.db2.gz QWASBXJYFPTDCZ-MRXNPFEDSA-N 1 3 294.442 3.533 20 30 CHEDHO C#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237886736 1131148744 /nfs/dbraw/zinc/14/87/44/1131148744.db2.gz QWASBXJYFPTDCZ-MRXNPFEDSA-N 1 3 294.442 3.533 20 30 CHEDHO C=CC[N@@H+]([C@@H]1CCN[C@H](CCCC)C1)C(C)(C)C ZINC001246921283 1131818400 /nfs/dbraw/zinc/81/84/00/1131818400.db2.gz PDNDSCIZNSZLRC-HUUCEWRRSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CC[N@H+]([C@@H]1CCN[C@H](CCCC)C1)C(C)(C)C ZINC001246921283 1131818406 /nfs/dbraw/zinc/81/84/06/1131818406.db2.gz PDNDSCIZNSZLRC-HUUCEWRRSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCN([C@@H]1CC[NH2+][C@H](CCCC)C1)C(C)(C)C ZINC001246921283 1131818414 /nfs/dbraw/zinc/81/84/14/1131818414.db2.gz PDNDSCIZNSZLRC-HUUCEWRRSA-N 1 3 252.446 3.584 20 30 CHEDHO C=C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1 ZINC001172110905 1132134679 /nfs/dbraw/zinc/13/46/79/1132134679.db2.gz RBDOPRSCWBFFNY-ZJPYXAASSA-N 1 3 270.420 3.519 20 30 CHEDHO C=CCCCCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264858 1135215835 /nfs/dbraw/zinc/21/58/35/1135215835.db2.gz IVFLZIVKAYFJJN-QGZVFWFLSA-N 1 3 264.457 3.589 20 30 CHEDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185785360 262070801 /nfs/dbraw/zinc/07/08/01/262070801.db2.gz USVNPJLEWHBFIF-APWZRJJASA-N 1 3 299.462 3.700 20 30 CHEDHO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000365436333 262365191 /nfs/dbraw/zinc/36/51/91/262365191.db2.gz ZCEUBUNVSVUFDX-KRWDZBQOSA-N 1 3 291.483 3.514 20 30 CHEDHO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000365436333 262365193 /nfs/dbraw/zinc/36/51/93/262365193.db2.gz ZCEUBUNVSVUFDX-KRWDZBQOSA-N 1 3 291.483 3.514 20 30 CHEDHO C=CCC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000423162009 330173600 /nfs/dbraw/zinc/17/36/00/330173600.db2.gz OPDZHRDFKBGFCU-CQSZACIVSA-N 1 3 287.451 3.636 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000467404092 331417626 /nfs/dbraw/zinc/41/76/26/331417626.db2.gz JFHAKKSGGFXKPY-SOLBZPMBSA-N 1 3 278.484 3.974 20 30 CHEDHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152475 331825484 /nfs/dbraw/zinc/82/54/84/331825484.db2.gz RCGNWRCMWLJNND-SJORKVTESA-N 1 3 293.499 3.807 20 30 CHEDHO C=CCC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC1 ZINC000544373248 333927496 /nfs/dbraw/zinc/92/74/96/333927496.db2.gz WAKFCBJOKYLLBY-DOTOQJQBSA-N 1 3 264.457 3.585 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000602451014 1127577702 /nfs/dbraw/zinc/57/77/02/1127577702.db2.gz NKWHXDAKRXAFPE-SQNIBIBYSA-N 1 3 291.483 3.513 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000602451014 1127577704 /nfs/dbraw/zinc/57/77/04/1127577704.db2.gz NKWHXDAKRXAFPE-SQNIBIBYSA-N 1 3 291.483 3.513 20 30 CHEDHO C=CCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000567122113 1128558267 /nfs/dbraw/zinc/55/82/67/1128558267.db2.gz LWAVEVJFHNJZMO-CVEARBPZSA-N 1 3 264.457 3.585 20 30 CHEDHO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185668387 1118064137 /nfs/dbraw/zinc/06/41/37/1118064137.db2.gz NNQWAWRJRPOFMH-HOTGVXAUSA-N 1 3 291.483 3.559 20 30 CHEDHO C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000185668403 1118064199 /nfs/dbraw/zinc/06/41/99/1118064199.db2.gz NNQWAWRJRPOFMH-CVEARBPZSA-N 1 3 291.483 3.559 20 30 CHEDHO C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000448028883 1118922027 /nfs/dbraw/zinc/92/20/27/1118922027.db2.gz PGNOJQXTAUKCKU-VAMGGRTRSA-N 1 3 298.474 3.843 20 30 CHEDHO CCCCCCCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC000226437010 1118927976 /nfs/dbraw/zinc/92/79/76/1118927976.db2.gz PRFDYTHYDIEVHA-MRXNPFEDSA-N 1 3 254.462 3.668 20 30 CHEDHO CCCCCCCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226437010 1118927979 /nfs/dbraw/zinc/92/79/79/1118927979.db2.gz PRFDYTHYDIEVHA-MRXNPFEDSA-N 1 3 254.462 3.668 20 30 CHEDHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1 ZINC000572708176 1121393887 /nfs/dbraw/zinc/39/38/87/1121393887.db2.gz WRNODFJFJZSGDF-VQIMIIECSA-N 1 3 299.462 3.721 20 30 CHEDHO C=CCC[C@H](CC)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001180811546 1122018453 /nfs/dbraw/zinc/01/84/53/1122018453.db2.gz SCRDUEHEKZXQLC-CVEARBPZSA-N 1 3 252.446 3.585 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)C1 ZINC001201567265 1123125804 /nfs/dbraw/zinc/12/58/04/1123125804.db2.gz WGLOOZZIQASILD-SQNIBIBYSA-N 1 3 278.484 3.689 20 30 CHEDHO C#C[C@](C)(CC)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021951 1123429271 /nfs/dbraw/zinc/42/92/71/1123429271.db2.gz RNFNKXSEEXNWFR-PIKOESSRSA-N 1 3 298.474 3.820 20 30 CHEDHO C#C[C@](C)(CC)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021951 1123429276 /nfs/dbraw/zinc/42/92/76/1123429276.db2.gz RNFNKXSEEXNWFR-PIKOESSRSA-N 1 3 298.474 3.820 20 30 CHEDHO CC[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447521512 1124479769 /nfs/dbraw/zinc/47/97/69/1124479769.db2.gz WLIFQZDVHPOYHW-IBGZPJMESA-N 1 3 299.462 3.721 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1CCCNC[C@@H]1C ZINC001246025058 1131275822 /nfs/dbraw/zinc/27/58/22/1131275822.db2.gz BSEVDENCDDFMED-ROUUACIJSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[N@H+]1CCCNC[C@@H]1C ZINC001246025058 1131275824 /nfs/dbraw/zinc/27/58/24/1131275824.db2.gz BSEVDENCDDFMED-ROUUACIJSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCCC[C@H](CC)[NH2+]CC1(C)CNC1 ZINC001246096778 1131309608 /nfs/dbraw/zinc/30/96/08/1131309608.db2.gz WPVOLVXHGDKHOV-HNNXBMFYSA-N 1 3 254.462 3.715 20 30 CHEDHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(C#N)c1 ZINC000902737033 1130048618 /nfs/dbraw/zinc/04/86/18/1130048618.db2.gz OIMDOKRFAQYHJG-LJQANCHMSA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365721 1130737557 /nfs/dbraw/zinc/73/75/57/1130737557.db2.gz PCTLJKYBYUYGKT-UXHICEINSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365721 1130737560 /nfs/dbraw/zinc/73/75/60/1130737560.db2.gz PCTLJKYBYUYGKT-UXHICEINSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCC[C@H](CN)C1 ZINC001235675427 1130766534 /nfs/dbraw/zinc/76/65/34/1130766534.db2.gz YAIMQNOAFGJVCK-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC001235675427 1130766539 /nfs/dbraw/zinc/76/65/39/1130766539.db2.gz YAIMQNOAFGJVCK-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCCN1CCC[C@H](C[NH3+])C1 ZINC001235675427 1130766545 /nfs/dbraw/zinc/76/65/45/1130766545.db2.gz YAIMQNOAFGJVCK-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236285783 1130910934 /nfs/dbraw/zinc/91/09/34/1130910934.db2.gz FZNIAZROIRONJT-UHFFFAOYSA-N 1 3 286.463 3.987 20 30 CHEDHO C=CCCCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236285783 1130910938 /nfs/dbraw/zinc/91/09/38/1130910938.db2.gz FZNIAZROIRONJT-UHFFFAOYSA-N 1 3 286.463 3.987 20 30 CHEDHO C=CCCCCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285783 1130910943 /nfs/dbraw/zinc/91/09/43/1130910943.db2.gz FZNIAZROIRONJT-UHFFFAOYSA-N 1 3 286.463 3.987 20 30 CHEDHO CCCCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817912960 1131188133 /nfs/dbraw/zinc/18/81/33/1131188133.db2.gz LHXDYTXNQMKZKT-CQSZACIVSA-N 1 3 277.456 3.860 20 30 CHEDHO C=CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000834895122 1131720965 /nfs/dbraw/zinc/72/09/65/1131720965.db2.gz ZINFXVDHJDXRLR-IPQPSQTFSA-N 1 3 284.447 3.909 20 30 CHEDHO C=CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000834895122 1131720970 /nfs/dbraw/zinc/72/09/70/1131720970.db2.gz ZINFXVDHJDXRLR-IPQPSQTFSA-N 1 3 284.447 3.909 20 30 CHEDHO C#C[C@](C)(CC)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982346 1132119763 /nfs/dbraw/zinc/11/97/63/1132119763.db2.gz HKLIYRWMOFVPTL-UYAOXDASSA-N 1 3 298.474 3.821 20 30 CHEDHO C#C[C@](C)(CC)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982346 1132119766 /nfs/dbraw/zinc/11/97/66/1132119766.db2.gz HKLIYRWMOFVPTL-UYAOXDASSA-N 1 3 298.474 3.821 20 30 CHEDHO C=CCOc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414802942 328231486 /nfs/dbraw/zinc/23/14/86/328231486.db2.gz CCOSTYXJKKWBAZ-HNNXBMFYSA-N 1 3 296.414 3.561 20 30 CHEDHO C=CCC[C@@H](CC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159626419 327547204 /nfs/dbraw/zinc/54/72/04/327547204.db2.gz OHUYSMCCSXCQLZ-CYBMUJFWSA-N 1 3 252.446 3.630 20 30 CHEDHO C=CCC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000577845526 335410355 /nfs/dbraw/zinc/41/03/55/335410355.db2.gz NUKFQLKPDBVITO-UHFFFAOYSA-N 1 3 278.484 3.975 20 30 CHEDHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(C#N)cc1 ZINC000278173399 522813385 /nfs/dbraw/zinc/81/33/85/522813385.db2.gz CPYHQSJSWKFNKR-LJQANCHMSA-N 1 3 299.462 3.719 20 30 CHEDHO CCC1(N2CCC2)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000886716230 1125711567 /nfs/dbraw/zinc/71/15/67/1125711567.db2.gz SEGIZIVMIQRXRJ-UHFFFAOYSA-N 1 3 291.483 3.657 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CCC12CCNCC2 ZINC000718694868 1127275373 /nfs/dbraw/zinc/27/53/73/1127275373.db2.gz XLZPBTBOPIQSFH-UHFFFAOYSA-N 1 3 266.473 3.955 20 30 CHEDHO CCCCCCCCCC[N@H+]1CCC12CCNCC2 ZINC000718694868 1127275375 /nfs/dbraw/zinc/27/53/75/1127275375.db2.gz XLZPBTBOPIQSFH-UHFFFAOYSA-N 1 3 266.473 3.955 20 30 CHEDHO CCCCCCCCCCN1CCC12CC[NH2+]CC2 ZINC000718694868 1127275377 /nfs/dbraw/zinc/27/53/77/1127275377.db2.gz XLZPBTBOPIQSFH-UHFFFAOYSA-N 1 3 266.473 3.955 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000602451012 1127578027 /nfs/dbraw/zinc/57/80/27/1127578027.db2.gz NKWHXDAKRXAFPE-KZNAEPCWSA-N 1 3 291.483 3.513 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602451012 1127578030 /nfs/dbraw/zinc/57/80/30/1127578030.db2.gz NKWHXDAKRXAFPE-KZNAEPCWSA-N 1 3 291.483 3.513 20 30 CHEDHO CC[C@H](CC#N)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719918265 1127866863 /nfs/dbraw/zinc/86/68/63/1127866863.db2.gz RMYMJJNSXCZUOX-LJQANCHMSA-N 1 3 299.462 3.523 20 30 CHEDHO C=CCC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540147721 1127962680 /nfs/dbraw/zinc/96/26/80/1127962680.db2.gz PWPVSUASAPKXII-SJLPKXTDSA-N 1 3 278.484 3.689 20 30 CHEDHO C[NH+](C)CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569397 1128587537 /nfs/dbraw/zinc/58/75/37/1128587537.db2.gz QEDATJMGMJPKIU-ZWKOTPCHSA-N 1 3 299.462 3.502 20 30 CHEDHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443386 1120530150 /nfs/dbraw/zinc/53/01/50/1120530150.db2.gz SIYVRLCWNBLQMV-PBHICJAKSA-N 1 3 287.451 3.575 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2cccc(C3CC3)c2)CC1 ZINC000421330242 1122094864 /nfs/dbraw/zinc/09/48/64/1122094864.db2.gz WUWAKDFOMBISMC-UHFFFAOYSA-N 1 3 284.447 3.694 20 30 CHEDHO CCCCCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001201798069 1123150454 /nfs/dbraw/zinc/15/04/54/1123150454.db2.gz NORBQBHBTGEXPY-UHFFFAOYSA-N 1 3 252.446 3.515 20 30 CHEDHO C=CC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449486515 1124764526 /nfs/dbraw/zinc/76/45/26/1124764526.db2.gz SQTGPJUPYZHVBR-UHFFFAOYSA-N 1 3 264.457 3.585 20 30 CHEDHO C#CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000877188487 1125018167 /nfs/dbraw/zinc/01/81/67/1125018167.db2.gz COLAGRJQWKRZJD-ZWKOTPCHSA-N 1 3 290.495 3.813 20 30 CHEDHO CCCCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991022 1130699800 /nfs/dbraw/zinc/69/98/00/1130699800.db2.gz FPBSNGCTRCMFSV-QGZVFWFLSA-N 1 3 266.473 3.813 20 30 CHEDHO C=CCCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995208 1130701402 /nfs/dbraw/zinc/70/14/02/1130701402.db2.gz YYDRWXZCIJHPRZ-KRWDZBQOSA-N 1 3 264.457 3.589 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235405493 1130739353 /nfs/dbraw/zinc/73/93/53/1130739353.db2.gz PHXARJHFUITYAC-IRXDYDNUSA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235405493 1130739358 /nfs/dbraw/zinc/73/93/58/1130739358.db2.gz PHXARJHFUITYAC-IRXDYDNUSA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405493 1130739362 /nfs/dbraw/zinc/73/93/62/1130739362.db2.gz PHXARJHFUITYAC-IRXDYDNUSA-N 1 3 284.463 3.761 20 30 CHEDHO C=CCCCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275344 1131076970 /nfs/dbraw/zinc/07/69/70/1131076970.db2.gz MCTKKEBONDKZFE-UHFFFAOYSA-N 1 3 298.474 3.870 20 30 CHEDHO CCCCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817912957 1131188215 /nfs/dbraw/zinc/18/82/15/1131188215.db2.gz LHXDYTXNQMKZKT-AWEZNQCLSA-N 1 3 277.456 3.860 20 30 CHEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246947625 1131829305 /nfs/dbraw/zinc/82/93/05/1131829305.db2.gz GHPDILLYJMHUOB-SJORKVTESA-N 1 3 278.484 3.974 20 30 CHEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246947625 1131829311 /nfs/dbraw/zinc/82/93/11/1131829311.db2.gz GHPDILLYJMHUOB-SJORKVTESA-N 1 3 278.484 3.974 20 30 CHEDHO C=C(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716652861 1132029278 /nfs/dbraw/zinc/02/92/78/1132029278.db2.gz UPOIKBJDAGGSTF-OTWHNJEPSA-N 1 3 284.447 3.595 20 30 CHEDHO CN1C(C)(C)CC([NH2+]C2CCC(C)(C#N)CC2)CC1(C)C ZINC001173588480 1132495590 /nfs/dbraw/zinc/49/55/90/1132495590.db2.gz IRESNWHMGCMFSG-UHFFFAOYSA-N 1 3 291.483 3.700 20 30 CHEDHO C=CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815127 263053586 /nfs/dbraw/zinc/05/35/86/263053586.db2.gz WVYJEMWXWXVSMA-OAHLLOKOSA-N 1 3 296.414 3.561 20 30 CHEDHO CCN(CC)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360819035 266744651 /nfs/dbraw/zinc/74/46/51/266744651.db2.gz GTNUPSLSYNQFIE-IBGZPJMESA-N 1 3 299.462 3.647 20 30 CHEDHO C=CCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571218258 328092718 /nfs/dbraw/zinc/09/27/18/328092718.db2.gz XHJDRKXUSPEWQI-UHFFFAOYSA-N 1 3 292.426 3.521 20 30 CHEDHO C=CCOc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414802943 328231446 /nfs/dbraw/zinc/23/14/46/328231446.db2.gz CCOSTYXJKKWBAZ-OAHLLOKOSA-N 1 3 296.414 3.561 20 30 CHEDHO C=C(C)[C@@H](N[C@@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049957 330166968 /nfs/dbraw/zinc/16/69/68/330166968.db2.gz KNAKQIDSUZTQOP-BLLLJJGKSA-N 1 3 282.378 3.689 20 30 CHEDHO C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423174709 330174800 /nfs/dbraw/zinc/17/48/00/330174800.db2.gz CNQNDYIFAAJZHM-AHRSYUTCSA-N 1 3 292.426 3.908 20 30 CHEDHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499420 330208053 /nfs/dbraw/zinc/20/80/53/330208053.db2.gz AWTPFUXXTIUFLF-DNVCBOLYSA-N 1 3 293.414 3.689 20 30 CHEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152454 331825542 /nfs/dbraw/zinc/82/55/42/331825542.db2.gz RCGNWRCMWLJNND-DLBZAZTESA-N 1 3 293.499 3.807 20 30 CHEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248782292 334317295 /nfs/dbraw/zinc/31/72/95/334317295.db2.gz IAWMDQLNEDZWFG-IKGGRYGDSA-N 1 3 291.483 3.559 20 30 CHEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248782292 334317296 /nfs/dbraw/zinc/31/72/96/334317296.db2.gz IAWMDQLNEDZWFG-IKGGRYGDSA-N 1 3 291.483 3.559 20 30 CHEDHO C=C[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1C=C ZINC000489437274 1127104050 /nfs/dbraw/zinc/10/40/50/1127104050.db2.gz NUOKIHNIAUYHJE-AQRBRUGDSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1C=C ZINC000489437274 1127104051 /nfs/dbraw/zinc/10/40/51/1127104051.db2.gz NUOKIHNIAUYHJE-AQRBRUGDSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2ccc3occc3c2)CC1 ZINC000286742284 1127273030 /nfs/dbraw/zinc/27/30/30/1127273030.db2.gz YGACLVILHQUQQE-UHFFFAOYSA-N 1 3 284.403 3.563 20 30 CHEDHO C=CCCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817930778 1131187706 /nfs/dbraw/zinc/18/77/06/1131187706.db2.gz GJSCMLIMZGGKJN-CQSZACIVSA-N 1 3 275.440 3.636 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602459959 1127582202 /nfs/dbraw/zinc/58/22/02/1127582202.db2.gz PHVDYVLBWKTULX-MSOLQXFVSA-N 1 3 291.483 3.514 20 30 CHEDHO CC(C)CCN1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000925185535 1128124935 /nfs/dbraw/zinc/12/49/35/1128124935.db2.gz MJYCLAPRHBWRPL-MRXNPFEDSA-N 1 3 299.462 3.719 20 30 CHEDHO CCCCCCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235172361 1128311659 /nfs/dbraw/zinc/31/16/59/1128311659.db2.gz MATRZARJJNZMJS-MRXNPFEDSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235172361 1128311664 /nfs/dbraw/zinc/31/16/64/1128311664.db2.gz MATRZARJJNZMJS-MRXNPFEDSA-N 1 3 252.446 3.565 20 30 CHEDHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1 ZINC000572708173 1128647035 /nfs/dbraw/zinc/64/70/35/1128647035.db2.gz WRNODFJFJZSGDF-APWZRJJASA-N 1 3 299.462 3.721 20 30 CHEDHO C=CCCCN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209160226 1118005503 /nfs/dbraw/zinc/00/55/03/1118005503.db2.gz KFDOGIPHOMHZDA-UHFFFAOYSA-N 1 3 272.436 3.549 20 30 CHEDHO C=CCCCN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209160226 1118005509 /nfs/dbraw/zinc/00/55/09/1118005509.db2.gz KFDOGIPHOMHZDA-UHFFFAOYSA-N 1 3 272.436 3.549 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228986669 1119285832 /nfs/dbraw/zinc/28/58/32/1119285832.db2.gz IBTXKSAOEAQJHJ-CVEARBPZSA-N 1 3 254.462 3.654 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228986669 1119285835 /nfs/dbraw/zinc/28/58/35/1119285835.db2.gz IBTXKSAOEAQJHJ-CVEARBPZSA-N 1 3 254.462 3.654 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000163473580 1119580693 /nfs/dbraw/zinc/58/06/93/1119580693.db2.gz PUTRZXBMIWDHSK-HRCADAONSA-N 1 3 254.462 3.652 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000163473580 1119580696 /nfs/dbraw/zinc/58/06/96/1119580696.db2.gz PUTRZXBMIWDHSK-HRCADAONSA-N 1 3 254.462 3.652 20 30 CHEDHO CCCCCCCCCC[C@H](O)CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001245983747 1131265290 /nfs/dbraw/zinc/26/52/90/1131265290.db2.gz OLBCXSZXPMZICS-SQNIBIBYSA-N 1 3 298.515 3.608 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC001245983747 1131265295 /nfs/dbraw/zinc/26/52/95/1131265295.db2.gz OLBCXSZXPMZICS-SQNIBIBYSA-N 1 3 298.515 3.608 20 30 CHEDHO C=CCCCCCCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC001235950781 1130814770 /nfs/dbraw/zinc/81/47/70/1130814770.db2.gz MRCLUUJVLPTIRP-KRWDZBQOSA-N 1 3 266.473 3.835 20 30 CHEDHO C=CCCCCCCCC[N@H+](C)C[C@H]1CCCNC1 ZINC001235950781 1130814772 /nfs/dbraw/zinc/81/47/72/1130814772.db2.gz MRCLUUJVLPTIRP-KRWDZBQOSA-N 1 3 266.473 3.835 20 30 CHEDHO C=CCCCCN(C)CCC[NH2+]C1CCCCC1 ZINC001236084949 1130853267 /nfs/dbraw/zinc/85/32/67/1130853267.db2.gz HOYBEDLTBSACSH-UHFFFAOYSA-N 1 3 252.446 3.587 20 30 CHEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817985328 1131195701 /nfs/dbraw/zinc/19/57/01/1131195701.db2.gz IYTISYMRUIAFJR-JKSUJKDBSA-N 1 3 264.457 3.776 20 30 CHEDHO C=CC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716718473 1132030007 /nfs/dbraw/zinc/03/00/07/1132030007.db2.gz ONHYGIVJFIOLQE-WNHJNPCNSA-N 1 3 284.447 3.594 20 30 CHEDHO C=CCCCC[N@@H+](C)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642705 1132080814 /nfs/dbraw/zinc/08/08/14/1132080814.db2.gz LRLRBOPSKXBKKB-UHFFFAOYSA-N 1 3 266.473 3.926 20 30 CHEDHO C=CCCCC[N@H+](C)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642705 1132080819 /nfs/dbraw/zinc/08/08/19/1132080819.db2.gz LRLRBOPSKXBKKB-UHFFFAOYSA-N 1 3 266.473 3.926 20 30 CHEDHO C#C[C@@](C)(CC)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982344 1132120219 /nfs/dbraw/zinc/12/02/19/1132120219.db2.gz HKLIYRWMOFVPTL-QUCCMNQESA-N 1 3 298.474 3.821 20 30 CHEDHO C#C[C@@](C)(CC)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982344 1132120222 /nfs/dbraw/zinc/12/02/22/1132120222.db2.gz HKLIYRWMOFVPTL-QUCCMNQESA-N 1 3 298.474 3.821 20 30 CHEDHO C=CCCCCCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265458 1135216565 /nfs/dbraw/zinc/21/65/65/1135216565.db2.gz TYJGFTZAMUAIGK-SFHVURJKSA-N 1 3 278.484 3.979 20 30 CHEDHO C=CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815125 263053579 /nfs/dbraw/zinc/05/35/79/263053579.db2.gz WVYJEMWXWXVSMA-HNNXBMFYSA-N 1 3 296.414 3.561 20 30 CHEDHO C=CCC[C@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935266 263139384 /nfs/dbraw/zinc/13/93/84/263139384.db2.gz FPQBUSGZSXGKML-KSSFIOAISA-N 1 3 268.404 3.784 20 30 CHEDHO CC(C)(CCC#N)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000174323128 329157343 /nfs/dbraw/zinc/15/73/43/329157343.db2.gz LUMHVQUILOYOED-UHFFFAOYSA-N 1 3 291.483 3.561 20 30 CHEDHO C=C(C)[C@H](N[C@@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049958 330166957 /nfs/dbraw/zinc/16/69/57/330166957.db2.gz KNAKQIDSUZTQOP-LRDDRELGSA-N 1 3 282.378 3.689 20 30 CHEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC000423185347 330175710 /nfs/dbraw/zinc/17/57/10/330175710.db2.gz VHAXCTBYWURNSI-SFHVURJKSA-N 1 3 297.446 3.577 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000467404091 331417699 /nfs/dbraw/zinc/41/76/99/331417699.db2.gz JFHAKKSGGFXKPY-RYRKJORJSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193442292 333250225 /nfs/dbraw/zinc/25/02/25/333250225.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000193442292 333250226 /nfs/dbraw/zinc/25/02/26/333250226.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 1 3 276.468 3.682 20 30 CHEDHO C=CCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000605186656 1127731355 /nfs/dbraw/zinc/73/13/55/1127731355.db2.gz AJQWGLPVYRVCAG-QGZVFWFLSA-N 1 3 264.457 3.541 20 30 CHEDHO CCCCN(CCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032718 1128344769 /nfs/dbraw/zinc/34/47/69/1128344769.db2.gz MJESTTSJQACNCB-UHFFFAOYSA-N 1 3 279.472 3.701 20 30 CHEDHO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000543462079 1120528524 /nfs/dbraw/zinc/52/85/24/1120528524.db2.gz WJHPDZCPBQNOAT-GVDBMIGSSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662252298 1120911966 /nfs/dbraw/zinc/91/19/66/1120911966.db2.gz OWPICLZXMOUROH-UHFFFAOYSA-N 1 3 292.426 3.521 20 30 CHEDHO CCCCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001201788150 1123152329 /nfs/dbraw/zinc/15/23/29/1123152329.db2.gz YKMKAZGCYNJXLQ-SFHVURJKSA-N 1 3 296.499 3.532 20 30 CHEDHO C=C(C)CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011314 1123270701 /nfs/dbraw/zinc/27/07/01/1123270701.db2.gz NOHWOBJWQJTSPI-HOTGVXAUSA-N 1 3 272.436 3.594 20 30 CHEDHO CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511216 1124482743 /nfs/dbraw/zinc/48/27/43/1124482743.db2.gz SKPFORGXKYGIAD-VQIMIIECSA-N 1 3 299.462 3.863 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CCC[C@H](N)CC1 ZINC000378663214 1130246836 /nfs/dbraw/zinc/24/68/36/1130246836.db2.gz DAVNTPHRIHRLSR-INIZCTEOSA-N 1 3 254.462 3.940 20 30 CHEDHO CCCCCCCCCC[N@H+]1CCC[C@H](N)CC1 ZINC000378663214 1130246838 /nfs/dbraw/zinc/24/68/38/1130246838.db2.gz DAVNTPHRIHRLSR-INIZCTEOSA-N 1 3 254.462 3.940 20 30 CHEDHO C=CCCCCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031654 1130702980 /nfs/dbraw/zinc/70/29/80/1130702980.db2.gz NBLMQUSKGWFJJE-GOSISDBHSA-N 1 3 278.484 3.979 20 30 CHEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC23CCNCC3)CC1 ZINC001235140685 1130714919 /nfs/dbraw/zinc/71/49/19/1130714919.db2.gz JZAVOCXQRXGLKX-QGZVFWFLSA-N 1 3 274.452 3.507 20 30 CHEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC23CCNCC3)CC1 ZINC001235140685 1130714922 /nfs/dbraw/zinc/71/49/22/1130714922.db2.gz JZAVOCXQRXGLKX-QGZVFWFLSA-N 1 3 274.452 3.507 20 30 CHEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246947624 1131829849 /nfs/dbraw/zinc/82/98/49/1131829849.db2.gz GHPDILLYJMHUOB-IRXDYDNUSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246947624 1131829855 /nfs/dbraw/zinc/82/98/55/1131829855.db2.gz GHPDILLYJMHUOB-IRXDYDNUSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCCC[C@H](CN)C1 ZINC001206606284 1133727195 /nfs/dbraw/zinc/72/71/95/1133727195.db2.gz JBRHECFOAICFCJ-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606284 1133727199 /nfs/dbraw/zinc/72/71/99/1133727199.db2.gz JBRHECFOAICFCJ-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209440515 1134020198 /nfs/dbraw/zinc/02/01/98/1134020198.db2.gz LRVNCDSBZGSYET-UHFFFAOYSA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCC[C@H](NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000574506273 335024370 /nfs/dbraw/zinc/02/43/70/335024370.db2.gz DVSSUDOKTZSTNO-KRWDZBQOSA-N 1 3 290.451 3.999 20 30 CHEDHO C=CCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000364187365 262181656 /nfs/dbraw/zinc/18/16/56/262181656.db2.gz ALEYBBWMXWKHRO-UHFFFAOYSA-N 1 3 264.457 3.729 20 30 CHEDHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(C#N)cc1 ZINC000571610342 328137343 /nfs/dbraw/zinc/13/73/43/328137343.db2.gz AXZFKBFAXYKSHE-LPHOPBHVSA-N 1 3 299.462 3.863 20 30 CHEDHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274209160 328209512 /nfs/dbraw/zinc/20/95/12/328209512.db2.gz MZQQKVCKEOXWPG-RTBURBONSA-N 1 3 299.462 3.700 20 30 CHEDHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274209158 328209582 /nfs/dbraw/zinc/20/95/82/328209582.db2.gz MZQQKVCKEOXWPG-OALUTQOASA-N 1 3 299.462 3.700 20 30 CHEDHO C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000582431281 328987527 /nfs/dbraw/zinc/98/75/27/328987527.db2.gz YWDVCSOHGOHYHI-IXDOHACOSA-N 1 3 264.457 3.633 20 30 CHEDHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293895 330188126 /nfs/dbraw/zinc/18/81/26/330188126.db2.gz SKPSORVAUJUXRL-AUUYWEPGSA-N 1 3 293.414 3.819 20 30 CHEDHO C=CCC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC1 ZINC000119995071 330384347 /nfs/dbraw/zinc/38/43/47/330384347.db2.gz CSMUHZSNIZGUDV-SFHVURJKSA-N 1 3 272.436 3.583 20 30 CHEDHO CC[NH+](CC)CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000488473265 332012411 /nfs/dbraw/zinc/01/24/11/332012411.db2.gz XXSBCRTVCBDUFD-MRXNPFEDSA-N 1 3 299.462 3.673 20 30 CHEDHO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000467415261 1127968216 /nfs/dbraw/zinc/96/82/16/1127968216.db2.gz YHMHMRYUFYBEJY-VNTMZGSJSA-N 1 3 298.474 3.841 20 30 CHEDHO C#Cc1cccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926549255 1119464336 /nfs/dbraw/zinc/46/43/36/1119464336.db2.gz FTLZMSKLPZSWIW-INIZCTEOSA-N 1 3 292.426 3.580 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000651758787 1120736471 /nfs/dbraw/zinc/73/64/71/1120736471.db2.gz NVQIVUYOKBGWFA-MHORFTMASA-N 1 3 290.495 3.974 20 30 CHEDHO C=CC1CCN(CC[C@@H](C)[NH+]2CCC(C=C)CC2)CC1 ZINC000431598921 1121009030 /nfs/dbraw/zinc/00/90/30/1121009030.db2.gz ZYWLTXGTULPSSI-MRXNPFEDSA-N 1 3 276.468 3.561 20 30 CHEDHO C=CC1CCN([C@H](C)CC[NH+]2CCC(C=C)CC2)CC1 ZINC000431598921 1121009035 /nfs/dbraw/zinc/00/90/35/1121009035.db2.gz ZYWLTXGTULPSSI-MRXNPFEDSA-N 1 3 276.468 3.561 20 30 CHEDHO CCCCCCCC[NH+]1CCC(C)(N(C)C)CC1 ZINC001175398292 1121291925 /nfs/dbraw/zinc/29/19/25/1121291925.db2.gz CLVIBLQREMXFRG-UHFFFAOYSA-N 1 3 254.462 3.763 20 30 CHEDHO C=CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420296374 1121995349 /nfs/dbraw/zinc/99/53/49/1121995349.db2.gz BQPFCLKHMAAMFD-CYBMUJFWSA-N 1 3 298.883 3.779 20 30 CHEDHO CCCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191101258 1122572798 /nfs/dbraw/zinc/57/27/98/1122572798.db2.gz VOMAJLZGJLKMLG-KRWDZBQOSA-N 1 3 266.473 3.907 20 30 CHEDHO C=CCN(Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001192515172 1122649608 /nfs/dbraw/zinc/64/96/08/1122649608.db2.gz LSZBSNWIEIRIFZ-UHFFFAOYSA-N 1 3 284.447 3.823 20 30 CHEDHO C=CCC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC1 ZINC000439084508 1122751766 /nfs/dbraw/zinc/75/17/66/1122751766.db2.gz LBCCTKVNHJGLLQ-NVXWUHKLSA-N 1 3 264.457 3.585 20 30 CHEDHO CCCCCCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001201839483 1123154124 /nfs/dbraw/zinc/15/41/24/1123154124.db2.gz FKEJNKPWOCXCNM-UHFFFAOYSA-N 1 3 266.473 3.906 20 30 CHEDHO C#CCCCCCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000895821702 1123517684 /nfs/dbraw/zinc/51/76/84/1123517684.db2.gz HYNHLUSPTHZRKS-UHFFFAOYSA-N 1 3 276.468 3.520 20 30 CHEDHO CCCCCCCCCCCC[C@@H](O)CN[C@H]1C[C@@H]([NH3+])C1 ZINC001245989783 1131266226 /nfs/dbraw/zinc/26/62/26/1131266226.db2.gz XZAYGYOTHFISPY-FGTMMUONSA-N 1 3 298.515 3.738 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CCC[C@@H](N)CC1 ZINC000378663216 1130247728 /nfs/dbraw/zinc/24/77/28/1130247728.db2.gz DAVNTPHRIHRLSR-MRXNPFEDSA-N 1 3 254.462 3.940 20 30 CHEDHO CCCCCCCCCC[N@H+]1CCC[C@@H](N)CC1 ZINC000378663216 1130247733 /nfs/dbraw/zinc/24/77/33/1130247733.db2.gz DAVNTPHRIHRLSR-MRXNPFEDSA-N 1 3 254.462 3.940 20 30 CHEDHO CCCCCCC/C=C/CN1CC2(C1)CC[NH2+]CC2 ZINC001235088088 1130709517 /nfs/dbraw/zinc/70/95/17/1130709517.db2.gz AISUXADFNSVNJG-CMDGGOBGSA-N 1 3 264.457 3.589 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235165218 1130716829 /nfs/dbraw/zinc/71/68/29/1130716829.db2.gz HMDBSBYCSSJOSE-JKSUJKDBSA-N 1 3 252.446 3.550 20 30 CHEDHO CCCCCCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235165218 1130716835 /nfs/dbraw/zinc/71/68/35/1130716835.db2.gz HMDBSBYCSSJOSE-JKSUJKDBSA-N 1 3 252.446 3.550 20 30 CHEDHO C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235411065 1130740342 /nfs/dbraw/zinc/74/03/42/1130740342.db2.gz ZWPCIJXUUUXUTP-SJORKVTESA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235411065 1130740347 /nfs/dbraw/zinc/74/03/47/1130740347.db2.gz ZWPCIJXUUUXUTP-SJORKVTESA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235411065 1130740352 /nfs/dbraw/zinc/74/03/52/1130740352.db2.gz ZWPCIJXUUUXUTP-SJORKVTESA-N 1 3 282.447 3.537 20 30 CHEDHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172113597 1132133123 /nfs/dbraw/zinc/13/31/23/1132133123.db2.gz DRGBVQHVZOVQQD-FCGDIQPGSA-N 1 3 297.446 3.614 20 30 CHEDHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172113597 1132133126 /nfs/dbraw/zinc/13/31/26/1132133126.db2.gz DRGBVQHVZOVQQD-FCGDIQPGSA-N 1 3 297.446 3.614 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863488 1133624320 /nfs/dbraw/zinc/62/43/20/1133624320.db2.gz XXLYCCSFZBXFRI-CVEARBPZSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863488 1133624321 /nfs/dbraw/zinc/62/43/21/1133624321.db2.gz XXLYCCSFZBXFRI-CVEARBPZSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209207357 1133988412 /nfs/dbraw/zinc/98/84/12/1133988412.db2.gz VLKHSYFHDWKMPL-VQTJNVASSA-N 1 3 298.474 3.797 20 30 CHEDHO C=CCCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209207357 1133988415 /nfs/dbraw/zinc/98/84/15/1133988415.db2.gz VLKHSYFHDWKMPL-VQTJNVASSA-N 1 3 298.474 3.797 20 30 CHEDHO C=CCCCCCCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595588 1135254418 /nfs/dbraw/zinc/25/44/18/1135254418.db2.gz DLYZPTQVWXGERF-LJQANCHMSA-N 1 3 298.474 3.812 20 30 CHEDHO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000365436334 262364949 /nfs/dbraw/zinc/36/49/49/262364949.db2.gz ZCEUBUNVSVUFDX-QGZVFWFLSA-N 1 3 291.483 3.514 20 30 CHEDHO CC(C)(C#N)CCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000365436334 262364950 /nfs/dbraw/zinc/36/49/50/262364950.db2.gz ZCEUBUNVSVUFDX-QGZVFWFLSA-N 1 3 291.483 3.514 20 30 CHEDHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(C#N)cc1 ZINC000571610341 328137218 /nfs/dbraw/zinc/13/72/18/328137218.db2.gz AXZFKBFAXYKSHE-APWZRJJASA-N 1 3 299.462 3.863 20 30 CHEDHO C=CCC[C@@H](NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000276452609 330113299 /nfs/dbraw/zinc/11/32/99/330113299.db2.gz MGVWHPZKQOQSGQ-MRXNPFEDSA-N 1 3 276.424 3.608 20 30 CHEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N)CCCCC1 ZINC000423185346 330175675 /nfs/dbraw/zinc/17/56/75/330175675.db2.gz VHAXCTBYWURNSI-GOSISDBHSA-N 1 3 297.446 3.577 20 30 CHEDHO CCCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191101259 1122572850 /nfs/dbraw/zinc/57/28/50/1122572850.db2.gz VOMAJLZGJLKMLG-QGZVFWFLSA-N 1 3 266.473 3.907 20 30 CHEDHO C=CCCCN1CCC[C@@H]([N@H+](C)CCCC=C)CC1 ZINC000532825820 1125584767 /nfs/dbraw/zinc/58/47/67/1125584767.db2.gz SRTZPBVIEDVVFV-QGZVFWFLSA-N 1 3 264.457 3.705 20 30 CHEDHO C=CCCCN1CCC[C@@H]([N@@H+](C)CCCC=C)CC1 ZINC000532825820 1125584771 /nfs/dbraw/zinc/58/47/71/1125584771.db2.gz SRTZPBVIEDVVFV-QGZVFWFLSA-N 1 3 264.457 3.705 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602459960 1127581978 /nfs/dbraw/zinc/58/19/78/1127581978.db2.gz PHVDYVLBWKTULX-QZTJIDSGSA-N 1 3 291.483 3.514 20 30 CHEDHO C[N@@H+]1CC[C@H](N[C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980673 1127649506 /nfs/dbraw/zinc/64/95/06/1127649506.db2.gz NQTNIZGWBQZRHY-ROUUACIJSA-N 1 3 299.462 3.884 20 30 CHEDHO C[N@H+]1CC[C@H](N[C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980673 1127649507 /nfs/dbraw/zinc/64/95/07/1127649507.db2.gz NQTNIZGWBQZRHY-ROUUACIJSA-N 1 3 299.462 3.884 20 30 CHEDHO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000467415260 1127967980 /nfs/dbraw/zinc/96/79/80/1127967980.db2.gz YHMHMRYUFYBEJY-LWYYNNOASA-N 1 3 298.474 3.841 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120154 1118498905 /nfs/dbraw/zinc/49/89/05/1118498905.db2.gz UVPAJZZHMGZNSX-OWCLPIDISA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120154 1118498907 /nfs/dbraw/zinc/49/89/07/1118498907.db2.gz UVPAJZZHMGZNSX-OWCLPIDISA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000926120154 1118498910 /nfs/dbraw/zinc/49/89/10/1118498910.db2.gz UVPAJZZHMGZNSX-OWCLPIDISA-N 1 3 291.483 3.557 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228986682 1119286273 /nfs/dbraw/zinc/28/62/73/1119286273.db2.gz IBTXKSAOEAQJHJ-HOTGVXAUSA-N 1 3 254.462 3.654 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228986682 1119286276 /nfs/dbraw/zinc/28/62/76/1119286276.db2.gz IBTXKSAOEAQJHJ-HOTGVXAUSA-N 1 3 254.462 3.654 20 30 CHEDHO C=CCCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680632 1120676728 /nfs/dbraw/zinc/67/67/28/1120676728.db2.gz VAZAMTUTCLVGRX-UHFFFAOYSA-N 1 3 272.436 3.597 20 30 CHEDHO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000651731211 1120728678 /nfs/dbraw/zinc/72/86/78/1120728678.db2.gz IWUHKYZYJHJCOG-RDJZCZTQSA-N 1 3 276.468 3.728 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000651731212 1120729200 /nfs/dbraw/zinc/72/92/00/1120729200.db2.gz IWUHKYZYJHJCOG-WBVHZDCISA-N 1 3 276.468 3.728 20 30 CHEDHO C=CCC1([NH2+]CCCN(CC)CC)CCCCC1 ZINC001175371926 1121302847 /nfs/dbraw/zinc/30/28/47/1121302847.db2.gz NIYUPWYYMCCYJM-UHFFFAOYSA-N 1 3 252.446 3.587 20 30 CHEDHO C=CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716640505 1122522609 /nfs/dbraw/zinc/52/26/09/1122522609.db2.gz WSYZVXURICNHCI-UFYCRDLUSA-N 1 3 298.474 3.985 20 30 CHEDHO C=CCCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995209 1130700963 /nfs/dbraw/zinc/70/09/63/1130700963.db2.gz YYDRWXZCIJHPRZ-QGZVFWFLSA-N 1 3 264.457 3.589 20 30 CHEDHO C=CCCCCCCCCCN1CCC[C@@H]1C[NH3+] ZINC001236245953 1130904172 /nfs/dbraw/zinc/90/41/72/1130904172.db2.gz WKUAPYQMHZOJKP-MRXNPFEDSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584515 1130980801 /nfs/dbraw/zinc/98/08/01/1130980801.db2.gz GIYDLZYHPAYISO-MRXNPFEDSA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584515 1130980805 /nfs/dbraw/zinc/98/08/05/1130980805.db2.gz GIYDLZYHPAYISO-MRXNPFEDSA-N 1 3 264.457 3.587 20 30 CHEDHO CCCCCCC[C@@H](CC)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246515133 1131543402 /nfs/dbraw/zinc/54/34/02/1131543402.db2.gz JUQUSCWLAAEMNN-SJORKVTESA-N 1 3 268.489 3.959 20 30 CHEDHO C=CCCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209161700 1133982360 /nfs/dbraw/zinc/98/23/60/1133982360.db2.gz BLGCJKQVVMQMHN-UHFFFAOYSA-N 1 3 284.447 3.551 20 30 CHEDHO C=CCCCCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001209440289 1134021126 /nfs/dbraw/zinc/02/11/26/1134021126.db2.gz FODTWTDZVDOXLP-UHFFFAOYSA-N 1 3 287.451 3.649 20 30 CHEDHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185762100 327844670 /nfs/dbraw/zinc/84/46/70/327844670.db2.gz QSJRXHHXYAJMOK-APWZRJJASA-N 1 3 299.462 3.700 20 30 CHEDHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(C#N)cc1 ZINC000571610344 328137261 /nfs/dbraw/zinc/13/72/61/328137261.db2.gz AXZFKBFAXYKSHE-VQIMIIECSA-N 1 3 299.462 3.863 20 30 CHEDHO C=CCC[C@H](CCC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423402749 330196432 /nfs/dbraw/zinc/19/64/32/330196432.db2.gz WQHAWRRUGTZPDQ-KRWDZBQOSA-N 1 3 258.409 3.514 20 30 CHEDHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503072 330208552 /nfs/dbraw/zinc/20/85/52/330208552.db2.gz MLAOJKNFEQHHMG-BEFAXECRSA-N 1 3 293.414 3.689 20 30 CHEDHO C=CCC[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CC1 ZINC000119906128 330381433 /nfs/dbraw/zinc/38/14/33/330381433.db2.gz FXYWRJKBKIWJGW-GOSISDBHSA-N 1 3 272.436 3.583 20 30 CHEDHO C[C@@H]1C[C@@H](NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726283 331295949 /nfs/dbraw/zinc/29/59/49/331295949.db2.gz DSWKYXIBOQIJCJ-AEFFLSMTSA-N 1 3 299.462 3.569 20 30 CHEDHO C[C@@H]1C[C@@H](NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726283 331295950 /nfs/dbraw/zinc/29/59/50/331295950.db2.gz DSWKYXIBOQIJCJ-AEFFLSMTSA-N 1 3 299.462 3.569 20 30 CHEDHO C[C@@H]1C[C@H](NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726287 331296010 /nfs/dbraw/zinc/29/60/10/331296010.db2.gz DSWKYXIBOQIJCJ-SJLPKXTDSA-N 1 3 299.462 3.569 20 30 CHEDHO C[C@@H]1C[C@H](NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726287 331296011 /nfs/dbraw/zinc/29/60/11/331296011.db2.gz DSWKYXIBOQIJCJ-SJLPKXTDSA-N 1 3 299.462 3.569 20 30 CHEDHO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000467412775 331418170 /nfs/dbraw/zinc/41/81/70/331418170.db2.gz UJMCNYBRKWUZSQ-RDJZCZTQSA-N 1 3 290.451 3.632 20 30 CHEDHO C=CCCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000577886323 335417231 /nfs/dbraw/zinc/41/72/31/335417231.db2.gz HFQWLKKISURXNA-UHFFFAOYSA-N 1 3 252.446 3.585 20 30 CHEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000449130232 1124653328 /nfs/dbraw/zinc/65/33/28/1124653328.db2.gz GBMHKXKPDSUAAJ-IAGOWNOFSA-N 1 3 266.473 3.831 20 30 CHEDHO CCCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405494 1130739304 /nfs/dbraw/zinc/73/93/04/1130739304.db2.gz PHXARJHFUITYAC-SJORKVTESA-N 1 3 284.463 3.761 20 30 CHEDHO C[C@@H](CCC#N)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602459961 1127582289 /nfs/dbraw/zinc/58/22/89/1127582289.db2.gz PHVDYVLBWKTULX-ROUUACIJSA-N 1 3 291.483 3.514 20 30 CHEDHO C[NH+](C)CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569396 1128587659 /nfs/dbraw/zinc/58/76/59/1128587659.db2.gz QEDATJMGMJPKIU-ROUUACIJSA-N 1 3 299.462 3.502 20 30 CHEDHO C=CCCCCCCCC[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001206770108 1117856336 /nfs/dbraw/zinc/85/63/36/1117856336.db2.gz QUTPQZLUFVMDQK-SJORKVTESA-N 1 3 266.473 3.962 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001206770108 1117856340 /nfs/dbraw/zinc/85/63/40/1117856340.db2.gz QUTPQZLUFVMDQK-SJORKVTESA-N 1 3 266.473 3.962 20 30 CHEDHO CCCCCCCCC[N@H+](C)C[C@H]1CCCNC1 ZINC000226437015 1118927602 /nfs/dbraw/zinc/92/76/02/1118927602.db2.gz PRFDYTHYDIEVHA-INIZCTEOSA-N 1 3 254.462 3.668 20 30 CHEDHO CCCCCCCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC000226437015 1118927603 /nfs/dbraw/zinc/92/76/03/1118927603.db2.gz PRFDYTHYDIEVHA-INIZCTEOSA-N 1 3 254.462 3.668 20 30 CHEDHO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000543462078 1120528608 /nfs/dbraw/zinc/52/86/08/1120528608.db2.gz WJHPDZCPBQNOAT-BBWFWOEESA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466482 1120981642 /nfs/dbraw/zinc/98/16/42/1120981642.db2.gz UMFUWHSOVMESRP-AEFFLSMTSA-N 1 3 278.484 3.833 20 30 CHEDHO C#C[C@](C)(CC)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168021950 1123429025 /nfs/dbraw/zinc/42/90/25/1123429025.db2.gz RNFNKXSEEXNWFR-MBOZVWFJSA-N 1 3 298.474 3.820 20 30 CHEDHO C=C(C)C[NH+]1CCC(Nc2ccnc3ccc(C)cc32)CC1 ZINC000302152910 1123957397 /nfs/dbraw/zinc/95/73/97/1123957397.db2.gz LHOGRTHUNXMLAK-UHFFFAOYSA-N 1 3 295.430 3.996 20 30 CHEDHO CCCCCCC[C@@H](CCC)[NH2+]CC1(C)CNC1 ZINC001246093836 1131305808 /nfs/dbraw/zinc/30/58/08/1131305808.db2.gz LBQFYSMRQKHLNP-OAHLLOKOSA-N 1 3 254.462 3.715 20 30 CHEDHO CC(C)CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047462 1129276682 /nfs/dbraw/zinc/27/66/82/1129276682.db2.gz NUDJUWSINUAMFH-IBGZPJMESA-N 1 3 299.462 3.501 20 30 CHEDHO CC(C)CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047462 1129276684 /nfs/dbraw/zinc/27/66/84/1129276684.db2.gz NUDJUWSINUAMFH-IBGZPJMESA-N 1 3 299.462 3.501 20 30 CHEDHO C=CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169124696 1129701699 /nfs/dbraw/zinc/70/16/99/1129701699.db2.gz SGKYGYHMQVQZQX-XMTFNYHQSA-N 1 3 270.420 3.519 20 30 CHEDHO C=CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169124696 1129701702 /nfs/dbraw/zinc/70/17/02/1129701702.db2.gz SGKYGYHMQVQZQX-XMTFNYHQSA-N 1 3 270.420 3.519 20 30 CHEDHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000902852830 1130070952 /nfs/dbraw/zinc/07/09/52/1130070952.db2.gz DBPZRLCIBXHFLO-SFHVURJKSA-N 1 3 299.462 3.862 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235405494 1130739299 /nfs/dbraw/zinc/73/92/99/1130739299.db2.gz PHXARJHFUITYAC-SJORKVTESA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235405494 1130739302 /nfs/dbraw/zinc/73/93/02/1130739302.db2.gz PHXARJHFUITYAC-SJORKVTESA-N 1 3 284.463 3.761 20 30 CHEDHO C=CCCCCCCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235950782 1130815115 /nfs/dbraw/zinc/81/51/15/1130815115.db2.gz MRCLUUJVLPTIRP-QGZVFWFLSA-N 1 3 266.473 3.835 20 30 CHEDHO C=CCCCCCCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC001235950782 1130815120 /nfs/dbraw/zinc/81/51/20/1130815120.db2.gz MRCLUUJVLPTIRP-QGZVFWFLSA-N 1 3 266.473 3.835 20 30 CHEDHO C=CCCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372577 1130922420 /nfs/dbraw/zinc/92/24/20/1130922420.db2.gz QFNQJAMYZJBNDR-INIZCTEOSA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372577 1130922423 /nfs/dbraw/zinc/92/24/23/1130922423.db2.gz QFNQJAMYZJBNDR-INIZCTEOSA-N 1 3 264.457 3.587 20 30 CHEDHO C=C(C)[C@@H]1CC=C(CN(CCC)C[C@H]2CC[NH2+]C2)CC1 ZINC001236826946 1131015405 /nfs/dbraw/zinc/01/54/05/1131015405.db2.gz DIZFSDASSAKZNJ-ZWKOTPCHSA-N 1 3 276.468 3.611 20 30 CHEDHO C#CC1CC[NH+](Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237888376 1131149141 /nfs/dbraw/zinc/14/91/41/1131149141.db2.gz CPNKKPWTEIRBDA-UHFFFAOYSA-N 1 3 294.442 3.533 20 30 CHEDHO C=CC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716718472 1132030702 /nfs/dbraw/zinc/03/07/02/1132030702.db2.gz ONHYGIVJFIOLQE-LULLPPNCSA-N 1 3 284.447 3.594 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205904514 1133629009 /nfs/dbraw/zinc/62/90/09/1133629009.db2.gz VRYXSPWPPPXQDA-CVEARBPZSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCCC[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205904514 1133629014 /nfs/dbraw/zinc/62/90/14/1133629014.db2.gz VRYXSPWPPPXQDA-CVEARBPZSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCC[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001206582250 1133721798 /nfs/dbraw/zinc/72/17/98/1133721798.db2.gz NALCYXXPBPWSFR-MRXNPFEDSA-N 1 3 254.462 3.809 20 30 CHEDHO CCCCCCC[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001206582250 1133721794 /nfs/dbraw/zinc/72/17/94/1133721794.db2.gz NALCYXXPBPWSFR-MRXNPFEDSA-N 1 3 254.462 3.809 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCCC[C@H](CN)C1 ZINC001206606530 1133727100 /nfs/dbraw/zinc/72/71/00/1133727100.db2.gz OFAVXCXOHDNLKU-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606530 1133727105 /nfs/dbraw/zinc/72/71/05/1133727105.db2.gz OFAVXCXOHDNLKU-MRXNPFEDSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222238026 1135212563 /nfs/dbraw/zinc/21/25/63/1135212563.db2.gz YREBZDYCQPLYRN-KRWDZBQOSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222238026 1135212568 /nfs/dbraw/zinc/21/25/68/1135212568.db2.gz YREBZDYCQPLYRN-KRWDZBQOSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCC[C@H](NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000276452608 330113599 /nfs/dbraw/zinc/11/35/99/330113599.db2.gz MGVWHPZKQOQSGQ-INIZCTEOSA-N 1 3 276.424 3.608 20 30 CHEDHO C=CCCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423376965 330198570 /nfs/dbraw/zinc/19/85/70/330198570.db2.gz JPDBSOIWUUEEFJ-CQSZACIVSA-N 1 3 258.409 3.514 20 30 CHEDHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503078 330208515 /nfs/dbraw/zinc/20/85/15/330208515.db2.gz MLAOJKNFEQHHMG-KXBFYZLASA-N 1 3 293.414 3.689 20 30 CHEDHO C=C(CC)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453384281 331126326 /nfs/dbraw/zinc/12/63/26/331126326.db2.gz ZNGFNWVZVSZKKV-REPLKXPHSA-N 1 3 284.447 3.738 20 30 CHEDHO C=C(CC)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453384281 331126327 /nfs/dbraw/zinc/12/63/27/331126327.db2.gz ZNGFNWVZVSZKKV-REPLKXPHSA-N 1 3 284.447 3.738 20 30 CHEDHO C=CCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000488444823 332009530 /nfs/dbraw/zinc/00/95/30/332009530.db2.gz XCTAQHLBECXSRP-QGZVFWFLSA-N 1 3 264.457 3.683 20 30 CHEDHO C=CCC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC1 ZINC000544373254 333927572 /nfs/dbraw/zinc/92/75/72/333927572.db2.gz WAKFCBJOKYLLBY-RDJZCZTQSA-N 1 3 264.457 3.585 20 30 CHEDHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833110 522632147 /nfs/dbraw/zinc/63/21/47/522632147.db2.gz UFUJGPUGRXJIHX-MJGOQNOKSA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccco1 ZINC000296575199 1127676790 /nfs/dbraw/zinc/67/67/90/1127676790.db2.gz TXSBMHMOWLFYAA-WTXIUTQJSA-N 1 3 274.408 3.502 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCC[C@H](N)CC1 ZINC001205094326 1128126006 /nfs/dbraw/zinc/12/60/06/1128126006.db2.gz LGUXLTQWHJZZME-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCC[C@H](N)CC1 ZINC001205094326 1128126007 /nfs/dbraw/zinc/12/60/07/1128126007.db2.gz LGUXLTQWHJZZME-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO C#Cc1cccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926549257 1119464739 /nfs/dbraw/zinc/46/47/39/1119464739.db2.gz FTLZMSKLPZSWIW-MRXNPFEDSA-N 1 3 292.426 3.580 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000253194306 1119472123 /nfs/dbraw/zinc/47/21/23/1119472123.db2.gz PUTRZXBMIWDHSK-JYJNAYRXSA-N 1 3 254.462 3.652 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000253194306 1119472124 /nfs/dbraw/zinc/47/21/24/1119472124.db2.gz PUTRZXBMIWDHSK-JYJNAYRXSA-N 1 3 254.462 3.652 20 30 CHEDHO C=CC[N@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)C ZINC001168002690 1123171619 /nfs/dbraw/zinc/17/16/19/1123171619.db2.gz UMBWYCKQNKONCO-SJPCQFCGSA-N 1 3 276.468 3.678 20 30 CHEDHO C=CC[N@@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)C ZINC001168002690 1123171622 /nfs/dbraw/zinc/17/16/22/1123171622.db2.gz UMBWYCKQNKONCO-SJPCQFCGSA-N 1 3 276.468 3.678 20 30 CHEDHO C=CC[NH+]1CCC(Nc2ccnc3ccc(C)cc32)CC1 ZINC000302137544 1123956979 /nfs/dbraw/zinc/95/69/79/1123956979.db2.gz BXPDIPQGYJQQBK-UHFFFAOYSA-N 1 3 281.403 3.606 20 30 CHEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000876993911 1124995509 /nfs/dbraw/zinc/99/55/09/1124995509.db2.gz VYAJYEQLAWTSED-INIZCTEOSA-N 1 3 291.483 3.561 20 30 CHEDHO C#CCCCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000877188480 1125018615 /nfs/dbraw/zinc/01/86/15/1125018615.db2.gz COLAGRJQWKRZJD-MSOLQXFVSA-N 1 3 290.495 3.813 20 30 CHEDHO C=CCC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000121545726 1125429680 /nfs/dbraw/zinc/42/96/80/1125429680.db2.gz RXNPXDVTKTVIAO-GOSISDBHSA-N 1 3 276.468 3.728 20 30 CHEDHO CC1(C)C[NH2+]CC[C@H](N[C@H](CCCC#N)c2ccccc2)C1 ZINC000902388800 1130005736 /nfs/dbraw/zinc/00/57/36/1130005736.db2.gz QKPKJMLPAZRBFG-ZWKOTPCHSA-N 1 3 299.462 3.789 20 30 CHEDHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000902852829 1130070535 /nfs/dbraw/zinc/07/05/35/1130070535.db2.gz DBPZRLCIBXHFLO-GOSISDBHSA-N 1 3 299.462 3.862 20 30 CHEDHO C=CCCCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033202 1130703134 /nfs/dbraw/zinc/70/31/34/1130703134.db2.gz UYDYWVRKGJXLFG-KRWDZBQOSA-N 1 3 264.457 3.589 20 30 CHEDHO C=CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365718 1130737003 /nfs/dbraw/zinc/73/70/03/1130737003.db2.gz PCTLJKYBYUYGKT-PMACEKPBSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365718 1130737004 /nfs/dbraw/zinc/73/70/04/1130737004.db2.gz PCTLJKYBYUYGKT-PMACEKPBSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCCCCCCCN1CCC[C@H]1C[NH3+] ZINC001235726313 1130773476 /nfs/dbraw/zinc/77/34/76/1130773476.db2.gz WKUAPYQMHZOJKP-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC001236604841 1130984060 /nfs/dbraw/zinc/98/40/60/1130984060.db2.gz PQFYVNKEGKBYES-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC001236604841 1130984068 /nfs/dbraw/zinc/98/40/68/1130984068.db2.gz PQFYVNKEGKBYES-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000834895123 1131720108 /nfs/dbraw/zinc/72/01/08/1131720108.db2.gz ZINFXVDHJDXRLR-XVLXNVKGSA-N 1 3 284.447 3.909 20 30 CHEDHO C=CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000834895123 1131720111 /nfs/dbraw/zinc/72/01/11/1131720111.db2.gz ZINFXVDHJDXRLR-XVLXNVKGSA-N 1 3 284.447 3.909 20 30 CHEDHO C=C(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716652858 1132028447 /nfs/dbraw/zinc/02/84/47/1132028447.db2.gz UPOIKBJDAGGSTF-FHWLQOOXSA-N 1 3 284.447 3.595 20 30 CHEDHO C=CCCCCCC[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001206581012 1133722191 /nfs/dbraw/zinc/72/21/91/1133722191.db2.gz HGTDRWHMZYJIBM-KRWDZBQOSA-N 1 3 266.473 3.975 20 30 CHEDHO C=CCCCCCC[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001206581012 1133722195 /nfs/dbraw/zinc/72/21/95/1133722195.db2.gz HGTDRWHMZYJIBM-KRWDZBQOSA-N 1 3 266.473 3.975 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614335 1135256111 /nfs/dbraw/zinc/25/61/11/1135256111.db2.gz CYXUCCPRIPNXSZ-DLBZAZTESA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614335 1135256115 /nfs/dbraw/zinc/25/61/15/1135256115.db2.gz CYXUCCPRIPNXSZ-DLBZAZTESA-N 1 3 266.473 3.811 20 30 CHEDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185785296 262070687 /nfs/dbraw/zinc/07/06/87/262070687.db2.gz USVNPJLEWHBFIF-QFBILLFUSA-N 1 3 299.462 3.700 20 30 CHEDHO C=CCN(Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682807 328213862 /nfs/dbraw/zinc/21/38/62/328213862.db2.gz RZOLPNGUWHMNCU-OLZOCXBDSA-N 1 3 298.883 3.778 20 30 CHEDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423291798 330187402 /nfs/dbraw/zinc/18/74/02/330187402.db2.gz JWKYOFUXPWRCOR-CHWSQXEVSA-N 1 3 297.377 3.568 20 30 CHEDHO C=CCC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CC1 ZINC000119905988 330381446 /nfs/dbraw/zinc/38/14/46/330381446.db2.gz FXYWRJKBKIWJGW-SFHVURJKSA-N 1 3 272.436 3.583 20 30 CHEDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152473 331825631 /nfs/dbraw/zinc/82/56/31/331825631.db2.gz RCGNWRCMWLJNND-IRXDYDNUSA-N 1 3 293.499 3.807 20 30 CHEDHO C=C(C)C[NH+]1CCC(N[C@H](CCC)c2cccnc2)CC1 ZINC000185384350 1126900015 /nfs/dbraw/zinc/90/00/15/1126900015.db2.gz QMHAYSSVPFLIOO-GOSISDBHSA-N 1 3 287.451 3.553 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000602451010 1127577645 /nfs/dbraw/zinc/57/76/45/1127577645.db2.gz NKWHXDAKRXAFPE-KURKYZTESA-N 1 3 291.483 3.513 20 30 CHEDHO C[C@H](CCC#N)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000602451010 1127577649 /nfs/dbraw/zinc/57/76/49/1127577649.db2.gz NKWHXDAKRXAFPE-KURKYZTESA-N 1 3 291.483 3.513 20 30 CHEDHO C=CCCC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764407 1128140860 /nfs/dbraw/zinc/14/08/60/1128140860.db2.gz HDYLAVVBQGMCQA-JQHSSLGASA-N 1 3 272.436 3.672 20 30 CHEDHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(C#N)cc1 ZINC000572708174 1128647071 /nfs/dbraw/zinc/64/70/71/1128647071.db2.gz WRNODFJFJZSGDF-LPHOPBHVSA-N 1 3 299.462 3.721 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258044286 1128685943 /nfs/dbraw/zinc/68/59/43/1128685943.db2.gz LCFCMXXWRAEEPS-BBWFWOEESA-N 1 3 266.473 3.619 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258044286 1128685945 /nfs/dbraw/zinc/68/59/45/1128685945.db2.gz LCFCMXXWRAEEPS-BBWFWOEESA-N 1 3 266.473 3.619 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120152 1118499296 /nfs/dbraw/zinc/49/92/96/1118499296.db2.gz UVPAJZZHMGZNSX-OAGGEKHMSA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120152 1118499297 /nfs/dbraw/zinc/49/92/97/1118499297.db2.gz UVPAJZZHMGZNSX-OAGGEKHMSA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000926120152 1118499298 /nfs/dbraw/zinc/49/92/98/1118499298.db2.gz UVPAJZZHMGZNSX-OAGGEKHMSA-N 1 3 291.483 3.557 20 30 CHEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000091582764 1119300520 /nfs/dbraw/zinc/30/05/20/1119300520.db2.gz PUXDXDSRCAILPO-DLBZAZTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000091582764 1119300523 /nfs/dbraw/zinc/30/05/23/1119300523.db2.gz PUXDXDSRCAILPO-DLBZAZTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000509702517 1120062001 /nfs/dbraw/zinc/06/20/01/1120062001.db2.gz ZQWJYLOWOXTUHD-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)CCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000509702517 1120062006 /nfs/dbraw/zinc/06/20/06/1120062006.db2.gz ZQWJYLOWOXTUHD-IRXDYDNUSA-N 1 3 264.457 3.539 20 30 CHEDHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443383 1120530088 /nfs/dbraw/zinc/53/00/88/1120530088.db2.gz SIYVRLCWNBLQMV-YOEHRIQHSA-N 1 3 287.451 3.575 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709853051 1121372914 /nfs/dbraw/zinc/37/29/14/1121372914.db2.gz ZZTXBBNDNVPRQW-DLBZAZTESA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709853051 1121372923 /nfs/dbraw/zinc/37/29/23/1121372923.db2.gz ZZTXBBNDNVPRQW-DLBZAZTESA-N 1 3 266.473 3.811 20 30 CHEDHO C=CCC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC1 ZINC000439084510 1122751457 /nfs/dbraw/zinc/75/14/57/1122751457.db2.gz LBCCTKVNHJGLLQ-WBVHZDCISA-N 1 3 264.457 3.585 20 30 CHEDHO CCCCCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368965 1122956027 /nfs/dbraw/zinc/95/60/27/1122956027.db2.gz PYTDEYDIWQBDMN-INIZCTEOSA-N 1 3 275.440 3.563 20 30 CHEDHO CCCCCCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001197368965 1122956031 /nfs/dbraw/zinc/95/60/31/1122956031.db2.gz PYTDEYDIWQBDMN-INIZCTEOSA-N 1 3 275.440 3.563 20 30 CHEDHO CCCCCCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001197368965 1122956035 /nfs/dbraw/zinc/95/60/35/1122956035.db2.gz PYTDEYDIWQBDMN-INIZCTEOSA-N 1 3 275.440 3.563 20 30 CHEDHO CCCCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001201788148 1123151970 /nfs/dbraw/zinc/15/19/70/1123151970.db2.gz YKMKAZGCYNJXLQ-GOSISDBHSA-N 1 3 296.499 3.532 20 30 CHEDHO CCCCCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001201840151 1123155400 /nfs/dbraw/zinc/15/54/00/1123155400.db2.gz NKQDPATXZPOBLD-IRXDYDNUSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201840151 1123155402 /nfs/dbraw/zinc/15/54/02/1123155402.db2.gz NKQDPATXZPOBLD-IRXDYDNUSA-N 1 3 266.473 3.621 20 30 CHEDHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511213 1124483188 /nfs/dbraw/zinc/48/31/88/1124483188.db2.gz SKPFORGXKYGIAD-APWZRJJASA-N 1 3 299.462 3.863 20 30 CHEDHO CCCCCCCCCCCC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1 ZINC001245989792 1131266365 /nfs/dbraw/zinc/26/63/65/1131266365.db2.gz XZAYGYOTHFISPY-KSZLIROESA-N 1 3 298.515 3.738 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1CCNCC[C@@H]1C ZINC001246025919 1131275519 /nfs/dbraw/zinc/27/55/19/1131275519.db2.gz ZZOGWYDKHPYZBL-ROUUACIJSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[N@H+]1CCNCC[C@@H]1C ZINC001246025919 1131275524 /nfs/dbraw/zinc/27/55/24/1131275524.db2.gz ZZOGWYDKHPYZBL-ROUUACIJSA-N 1 3 298.515 3.562 20 30 CHEDHO CCCCCCC[C@H](CC)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246108179 1131326388 /nfs/dbraw/zinc/32/63/88/1131326388.db2.gz GBAHQHKRXZCMLQ-PMPSAXMXSA-N 1 3 254.462 3.856 20 30 CHEDHO CCCCCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000744418863 1129576129 /nfs/dbraw/zinc/57/61/29/1129576129.db2.gz GHIVQDFFKOZWBQ-INIZCTEOSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235394234 1130739276 /nfs/dbraw/zinc/73/92/76/1130739276.db2.gz CONCELJABRLPHV-LJFOUZCWSA-N 1 3 296.474 3.912 20 30 CHEDHO C=CCCCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235946949 1130812036 /nfs/dbraw/zinc/81/20/36/1130812036.db2.gz SWGQPOVMIGYUPY-UHFFFAOYSA-N 1 3 296.499 3.604 20 30 CHEDHO C=CCCCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235946949 1130812042 /nfs/dbraw/zinc/81/20/42/1130812042.db2.gz SWGQPOVMIGYUPY-UHFFFAOYSA-N 1 3 296.499 3.604 20 30 CHEDHO C=CCCCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235946949 1130812050 /nfs/dbraw/zinc/81/20/50/1130812050.db2.gz SWGQPOVMIGYUPY-UHFFFAOYSA-N 1 3 296.499 3.604 20 30 CHEDHO C=CCCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207355 1133987651 /nfs/dbraw/zinc/98/76/51/1133987651.db2.gz VLKHSYFHDWKMPL-PMACEKPBSA-N 1 3 298.474 3.797 20 30 CHEDHO C=CCCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207355 1133987656 /nfs/dbraw/zinc/98/76/56/1133987656.db2.gz VLKHSYFHDWKMPL-PMACEKPBSA-N 1 3 298.474 3.797 20 30 CHEDHO C=CCCCCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209440433 1134019696 /nfs/dbraw/zinc/01/96/96/1134019696.db2.gz KHEJIRFWPOEUFG-UHFFFAOYSA-N 1 3 287.451 3.649 20 30 CHEDHO CC(C)[NH+]1CCC(N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340451009 328279155 /nfs/dbraw/zinc/27/91/55/328279155.db2.gz ZAINUEUVJRPKJR-IBGZPJMESA-N 1 3 299.462 3.884 20 30 CHEDHO CC(C)[NH+]1CCC(N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000340451012 328279163 /nfs/dbraw/zinc/27/91/63/328279163.db2.gz ZAINUEUVJRPKJR-LJQANCHMSA-N 1 3 299.462 3.884 20 30 CHEDHO C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423174712 330174723 /nfs/dbraw/zinc/17/47/23/330174723.db2.gz CNQNDYIFAAJZHM-UXPWSPDFSA-N 1 3 292.426 3.908 20 30 CHEDHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499422 330208047 /nfs/dbraw/zinc/20/80/47/330208047.db2.gz AWTPFUXXTIUFLF-KXBFYZLASA-N 1 3 293.414 3.689 20 30 CHEDHO C=CCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000488393695 332002895 /nfs/dbraw/zinc/00/28/95/332002895.db2.gz DUGONQMPPZIATG-QGZVFWFLSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000488393695 332002896 /nfs/dbraw/zinc/00/28/96/332002896.db2.gz DUGONQMPPZIATG-QGZVFWFLSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488393695 332002898 /nfs/dbraw/zinc/00/28/98/332002898.db2.gz DUGONQMPPZIATG-QGZVFWFLSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000193549363 333252874 /nfs/dbraw/zinc/25/28/74/333252874.db2.gz QZZHWEWDMIJGNB-IRXDYDNUSA-N 1 3 278.484 3.975 20 30 CHEDHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000278852032 522809872 /nfs/dbraw/zinc/80/98/72/522809872.db2.gz VQRODPJVHFEVKJ-GOSISDBHSA-N 1 3 299.462 3.862 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000467405833 1122898445 /nfs/dbraw/zinc/89/84/45/1122898445.db2.gz HSMOWZDOIWGUEZ-BQFCYCMXSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246947623 1131830445 /nfs/dbraw/zinc/83/04/45/1131830445.db2.gz GHPDILLYJMHUOB-IAGOWNOFSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246947623 1131830450 /nfs/dbraw/zinc/83/04/50/1131830450.db2.gz GHPDILLYJMHUOB-IAGOWNOFSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000367084574 1127750645 /nfs/dbraw/zinc/75/06/45/1127750645.db2.gz BEECNJYXPFWUFR-HNNXBMFYSA-N 1 3 264.457 3.728 20 30 CHEDHO C=C1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000926927891 1128203978 /nfs/dbraw/zinc/20/39/78/1128203978.db2.gz VVPDNJXKMCQNNA-UHFFFAOYSA-N 1 3 264.457 3.585 20 30 CHEDHO C=CCCCCCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235174218 1128311915 /nfs/dbraw/zinc/31/19/15/1128311915.db2.gz SNDYCWYZKLMWOR-KRWDZBQOSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235174218 1128311920 /nfs/dbraw/zinc/31/19/20/1128311920.db2.gz SNDYCWYZKLMWOR-KRWDZBQOSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCCCN1CCC([NH+]2CCC2)CC1 ZINC001209443553 1118061201 /nfs/dbraw/zinc/06/12/01/1118061201.db2.gz VEIAQEPGCJXPRU-UHFFFAOYSA-N 1 3 264.457 3.683 20 30 CHEDHO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000185668351 1118064074 /nfs/dbraw/zinc/06/40/74/1118064074.db2.gz NNQWAWRJRPOFMH-JKSUJKDBSA-N 1 3 291.483 3.559 20 30 CHEDHO CCCCCCCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC000088363153 1118272730 /nfs/dbraw/zinc/27/27/30/1118272730.db2.gz RFGFGSFJANWYEN-MRXNPFEDSA-N 1 3 254.462 3.798 20 30 CHEDHO CCCCCCCCCC[N@H+]1CCC[C@H](CN)C1 ZINC000088363153 1118272733 /nfs/dbraw/zinc/27/27/33/1118272733.db2.gz RFGFGSFJANWYEN-MRXNPFEDSA-N 1 3 254.462 3.798 20 30 CHEDHO CCCCCCCCCCN1CCC[C@H](C[NH3+])C1 ZINC000088363153 1118272737 /nfs/dbraw/zinc/27/27/37/1118272737.db2.gz RFGFGSFJANWYEN-MRXNPFEDSA-N 1 3 254.462 3.798 20 30 CHEDHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763652 1128902739 /nfs/dbraw/zinc/90/27/39/1128902739.db2.gz ARQXOPVLXQKVPP-YOEHRIQHSA-N 1 3 287.451 3.575 20 30 CHEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)C1 ZINC001201567264 1123125984 /nfs/dbraw/zinc/12/59/84/1123125984.db2.gz WGLOOZZIQASILD-KZNAEPCWSA-N 1 3 278.484 3.689 20 30 CHEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665230609 1123234703 /nfs/dbraw/zinc/23/47/03/1123234703.db2.gz RYVNDDXLJIKIKT-IIDMSEBBSA-N 1 3 287.451 3.634 20 30 CHEDHO C=CCC[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000850503028 1123276424 /nfs/dbraw/zinc/27/64/24/1123276424.db2.gz ZZINAXQZEJVMHZ-OAHLLOKOSA-N 1 3 290.451 3.764 20 30 CHEDHO CCCCCCCCCCCC[C@@H](O)CN[C@H]1C[C@H]([NH3+])C1 ZINC001245989793 1131265755 /nfs/dbraw/zinc/26/57/55/1131265755.db2.gz XZAYGYOTHFISPY-KZNAEPCWSA-N 1 3 298.515 3.738 20 30 CHEDHO CCCCCCC[C@@H](CC(C)C)[NH2+]CC1(C)CNC1 ZINC001246091426 1131305049 /nfs/dbraw/zinc/30/50/49/1131305049.db2.gz AIOHPIJDDQXMAD-INIZCTEOSA-N 1 3 268.489 3.961 20 30 CHEDHO CCCCCCC[C@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246113978 1131334848 /nfs/dbraw/zinc/33/48/48/1131334848.db2.gz OSCJVLRTCFUYKV-HOTGVXAUSA-N 1 3 272.452 3.807 20 30 CHEDHO C=CCC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258723237 1129578401 /nfs/dbraw/zinc/57/84/01/1129578401.db2.gz YLJQGUPCOVETAN-CYBMUJFWSA-N 1 3 252.446 3.582 20 30 CHEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000651758789 1129748001 /nfs/dbraw/zinc/74/80/01/1129748001.db2.gz NVQIVUYOKBGWFA-TVFCKZIOSA-N 1 3 290.495 3.974 20 30 CHEDHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 ZINC000902792797 1130058718 /nfs/dbraw/zinc/05/87/18/1130058718.db2.gz DKIKGEQTLBJICX-IEBWSBKVSA-N 1 3 299.462 3.719 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236820009 1131014795 /nfs/dbraw/zinc/01/47/95/1131014795.db2.gz PJSSABSYPOYFOD-JDAARJCASA-N 1 3 264.457 3.572 20 30 CHEDHO C=C(C)C[N@H+](CC)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171639746 1132080871 /nfs/dbraw/zinc/08/08/71/1132080871.db2.gz RNPYZQVWLBESOV-UHFFFAOYSA-N 1 3 252.446 3.536 20 30 CHEDHO C=C(C)CN(CC)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639746 1132080877 /nfs/dbraw/zinc/08/08/77/1132080877.db2.gz RNPYZQVWLBESOV-UHFFFAOYSA-N 1 3 252.446 3.536 20 30 CHEDHO C=C(C)C[N@@H+](CC)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171639746 1132080866 /nfs/dbraw/zinc/08/08/66/1132080866.db2.gz RNPYZQVWLBESOV-UHFFFAOYSA-N 1 3 252.446 3.536 20 30 CHEDHO C=CCN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128574 1132128201 /nfs/dbraw/zinc/12/82/01/1132128201.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 1 3 284.447 3.690 20 30 CHEDHO C=CCN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128574 1132128205 /nfs/dbraw/zinc/12/82/05/1132128205.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 1 3 284.447 3.690 20 30 CHEDHO C=CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C(C)(C)C ZINC001232152262 1132427113 /nfs/dbraw/zinc/42/71/13/1132427113.db2.gz WDQNDDIVMITRTJ-UHFFFAOYSA-N 1 3 278.415 3.674 20 30 CHEDHO C=CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C(C)(C)C ZINC001232152262 1132427112 /nfs/dbraw/zinc/42/71/12/1132427112.db2.gz WDQNDDIVMITRTJ-UHFFFAOYSA-N 1 3 278.415 3.674 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CC[C@@](C)(N)C1 ZINC001204763391 1133482245 /nfs/dbraw/zinc/48/22/45/1133482245.db2.gz IMSVYLRLJCMUNT-MRXNPFEDSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CC[C@@](C)(N)C1 ZINC001204763391 1133482247 /nfs/dbraw/zinc/48/22/47/1133482247.db2.gz IMSVYLRLJCMUNT-MRXNPFEDSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209163661 1133982141 /nfs/dbraw/zinc/98/21/41/1133982141.db2.gz GSIQGHVOAKJQFQ-UHFFFAOYSA-N 1 3 290.426 3.688 20 30 CHEDHO C=CCCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209163661 1133982145 /nfs/dbraw/zinc/98/21/45/1133982145.db2.gz GSIQGHVOAKJQFQ-UHFFFAOYSA-N 1 3 290.426 3.688 20 30 CHEDHO CCC[NH+]1CCC(N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340448373 263154640 /nfs/dbraw/zinc/15/46/40/263154640.db2.gz RWFULVXUNSTOBF-IBGZPJMESA-N 1 3 299.462 3.886 20 30 CHEDHO C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682806 328213931 /nfs/dbraw/zinc/21/39/31/328213931.db2.gz RZOLPNGUWHMNCU-CHWSQXEVSA-N 1 3 298.883 3.778 20 30 CHEDHO C=CCCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000536995043 330375323 /nfs/dbraw/zinc/37/53/23/330375323.db2.gz KKCJKCBPTPARBP-MRXNPFEDSA-N 1 3 264.457 3.682 20 30 CHEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185826177 333149719 /nfs/dbraw/zinc/14/97/19/333149719.db2.gz IAWMDQLNEDZWFG-IXDOHACOSA-N 1 3 291.483 3.559 20 30 CHEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185826177 333149720 /nfs/dbraw/zinc/14/97/20/333149720.db2.gz IAWMDQLNEDZWFG-IXDOHACOSA-N 1 3 291.483 3.559 20 30 CHEDHO C=CCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000605186655 1127731106 /nfs/dbraw/zinc/73/11/06/1127731106.db2.gz AJQWGLPVYRVCAG-KRWDZBQOSA-N 1 3 264.457 3.541 20 30 CHEDHO CC(C)CCN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000925185534 1128125224 /nfs/dbraw/zinc/12/52/24/1128125224.db2.gz MJYCLAPRHBWRPL-INIZCTEOSA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209441319 1118059956 /nfs/dbraw/zinc/05/99/56/1118059956.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209441319 1118059958 /nfs/dbraw/zinc/05/99/58/1118059958.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467661 1120983981 /nfs/dbraw/zinc/98/39/81/1120983981.db2.gz HBXUVJNEHCCXMN-ROUUACIJSA-N 1 3 278.484 3.833 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C(C)C)cc2)CC1 ZINC000106245594 1124018017 /nfs/dbraw/zinc/01/80/17/1124018017.db2.gz JWPWCPRHRXYZQA-UHFFFAOYSA-N 1 3 286.463 3.940 20 30 CHEDHO C#CCCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000877188483 1125019308 /nfs/dbraw/zinc/01/93/08/1125019308.db2.gz COLAGRJQWKRZJD-QZTJIDSGSA-N 1 3 290.495 3.813 20 30 CHEDHO CCCCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746670421 1129978567 /nfs/dbraw/zinc/97/85/67/1129978567.db2.gz ZYIYGKJXBHXKMW-KRWDZBQOSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000746670421 1129978569 /nfs/dbraw/zinc/97/85/69/1129978569.db2.gz ZYIYGKJXBHXKMW-KRWDZBQOSA-N 1 3 266.473 3.621 20 30 CHEDHO CC1(C)C[NH2+]CC[C@H](N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000902388797 1130005293 /nfs/dbraw/zinc/00/52/93/1130005293.db2.gz QKPKJMLPAZRBFG-ROUUACIJSA-N 1 3 299.462 3.789 20 30 CHEDHO C=CCCCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991496 1130699977 /nfs/dbraw/zinc/69/99/77/1130699977.db2.gz GHBFRGNFNDAIMU-SFHVURJKSA-N 1 3 278.484 3.979 20 30 CHEDHO CCCCCCC/C=C/CN1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235810805 1130781331 /nfs/dbraw/zinc/78/13/31/1130781331.db2.gz NXGLZYUSTHVOGV-RFVJJRFUSA-N 1 3 264.457 3.857 20 30 CHEDHO C=C(C)[C@@H]1CC=C(CN(C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584523 1130980574 /nfs/dbraw/zinc/98/05/74/1130980574.db2.gz HIUBJGFLZVQUFN-ZWKOTPCHSA-N 1 3 288.479 3.753 20 30 CHEDHO C=CCN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128573 1132127304 /nfs/dbraw/zinc/12/73/04/1132127304.db2.gz SGUQPERGKBZIMQ-BWTSREIZSA-N 1 3 284.447 3.690 20 30 CHEDHO C=CCN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128573 1132127305 /nfs/dbraw/zinc/12/73/05/1132127305.db2.gz SGUQPERGKBZIMQ-BWTSREIZSA-N 1 3 284.447 3.690 20 30 CHEDHO C=CCCCC[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232150515 1132428269 /nfs/dbraw/zinc/42/82/69/1132428269.db2.gz YADJDMQGVFCDSD-UHFFFAOYSA-N 1 3 278.415 3.675 20 30 CHEDHO C=CCCCC[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232150515 1132428272 /nfs/dbraw/zinc/42/82/72/1132428272.db2.gz YADJDMQGVFCDSD-UHFFFAOYSA-N 1 3 278.415 3.675 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205904515 1133628916 /nfs/dbraw/zinc/62/89/16/1133628916.db2.gz VRYXSPWPPPXQDA-HOTGVXAUSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCCC[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205904515 1133628917 /nfs/dbraw/zinc/62/89/17/1133628917.db2.gz VRYXSPWPPPXQDA-HOTGVXAUSA-N 1 3 254.462 3.796 20 30 CHEDHO C=CCCCCC[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001206579895 1133721783 /nfs/dbraw/zinc/72/17/83/1133721783.db2.gz ARFOFUWSRMGXDC-INIZCTEOSA-N 1 3 252.446 3.585 20 30 CHEDHO CCCCCCC[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001206582248 1133721675 /nfs/dbraw/zinc/72/16/75/1133721675.db2.gz NALCYXXPBPWSFR-INIZCTEOSA-N 1 3 254.462 3.809 20 30 CHEDHO CCCCCCC[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001206582248 1133721679 /nfs/dbraw/zinc/72/16/79/1133721679.db2.gz NALCYXXPBPWSFR-INIZCTEOSA-N 1 3 254.462 3.809 20 30 CHEDHO C=CCCCCC[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001206579895 1133721780 /nfs/dbraw/zinc/72/17/80/1133721780.db2.gz ARFOFUWSRMGXDC-INIZCTEOSA-N 1 3 252.446 3.585 20 30 CHEDHO CCCCCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230970 1135210974 /nfs/dbraw/zinc/21/09/74/1135210974.db2.gz HWBQDIFWAJYORA-MRXNPFEDSA-N 1 3 252.446 3.565 20 30 CHEDHO CCCCCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230970 1135210977 /nfs/dbraw/zinc/21/09/77/1135210977.db2.gz HWBQDIFWAJYORA-MRXNPFEDSA-N 1 3 252.446 3.565 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614579 1135256878 /nfs/dbraw/zinc/25/68/78/1135256878.db2.gz HDGOQDUPBUBHEN-ZWKOTPCHSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614579 1135256883 /nfs/dbraw/zinc/25/68/83/1135256883.db2.gz HDGOQDUPBUBHEN-ZWKOTPCHSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000488444822 332009375 /nfs/dbraw/zinc/00/93/75/332009375.db2.gz XCTAQHLBECXSRP-KRWDZBQOSA-N 1 3 264.457 3.683 20 30 CHEDHO CC(C)CCN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000924784244 1126773963 /nfs/dbraw/zinc/77/39/63/1126773963.db2.gz CMFDLYABNWPDJY-MRXNPFEDSA-N 1 3 299.462 3.719 20 30 CHEDHO CC[C@@H](CC#N)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719918264 1127868387 /nfs/dbraw/zinc/86/83/87/1127868387.db2.gz RMYMJJNSXCZUOX-IBGZPJMESA-N 1 3 299.462 3.523 20 30 CHEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540147719 1127962755 /nfs/dbraw/zinc/96/27/55/1127962755.db2.gz PWPVSUASAPKXII-AEFFLSMTSA-N 1 3 278.484 3.689 20 30 CHEDHO CCC1([NH3+])CCN([C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000925756871 1128140557 /nfs/dbraw/zinc/14/05/57/1128140557.db2.gz BIKOAARPFBXBJL-GOSISDBHSA-N 1 3 297.446 3.529 20 30 CHEDHO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709853057 1121373297 /nfs/dbraw/zinc/37/32/97/1121373297.db2.gz ZZTXBBNDNVPRQW-SJORKVTESA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709853057 1121373304 /nfs/dbraw/zinc/37/33/04/1121373304.db2.gz ZZTXBBNDNVPRQW-SJORKVTESA-N 1 3 266.473 3.811 20 30 CHEDHO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512661419 1121517399 /nfs/dbraw/zinc/51/73/99/1121517399.db2.gz SCWCSYFAGCYADZ-FRYIKTPZSA-N 1 3 298.474 3.841 20 30 CHEDHO C#C[C@](C)(CC)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC001194504738 1122781043 /nfs/dbraw/zinc/78/10/43/1122781043.db2.gz DNBIIXFLQVQYGY-LJQANCHMSA-N 1 3 284.447 3.564 20 30 CHEDHO CCCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001201798246 1123150640 /nfs/dbraw/zinc/15/06/40/1123150640.db2.gz SBKPXMYVSSSMDF-UHFFFAOYSA-N 1 3 296.499 3.532 20 30 CHEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000651731210 1129746347 /nfs/dbraw/zinc/74/63/47/1129746347.db2.gz IWUHKYZYJHJCOG-NVXWUHKLSA-N 1 3 276.468 3.728 20 30 CHEDHO C=CCCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518774 1130961733 /nfs/dbraw/zinc/96/17/33/1130961733.db2.gz WRJIOFDPEFXFCL-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO C=CCCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518774 1130961737 /nfs/dbraw/zinc/96/17/37/1130961737.db2.gz WRJIOFDPEFXFCL-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO C=CCCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518774 1130961741 /nfs/dbraw/zinc/96/17/41/1130961741.db2.gz WRJIOFDPEFXFCL-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO CCCCCCC[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246228988 1131415707 /nfs/dbraw/zinc/41/57/07/1131415707.db2.gz HTQCFWMXIBGNFC-GJZGRUSLSA-N 1 3 254.462 3.713 20 30 CHEDHO CCCCCCC[NH2+][C@H]1CCN[C@H](CCCC)C1 ZINC001246227591 1131415989 /nfs/dbraw/zinc/41/59/89/1131415989.db2.gz DNZRKEKLTRYTFS-CVEARBPZSA-N 1 3 254.462 3.857 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246624711 1131721904 /nfs/dbraw/zinc/72/19/04/1131721904.db2.gz RPJNHZYHHBBUMJ-IRXDYDNUSA-N 1 3 266.473 3.953 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246624711 1131721909 /nfs/dbraw/zinc/72/19/09/1131721909.db2.gz RPJNHZYHHBBUMJ-IRXDYDNUSA-N 1 3 266.473 3.953 20 30 CHEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734086 1132030882 /nfs/dbraw/zinc/03/08/82/1132030882.db2.gz TWLNZMRWGVQKGE-FHWLQOOXSA-N 1 3 284.447 3.595 20 30 CHEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331234 1132462603 /nfs/dbraw/zinc/46/26/03/1132462603.db2.gz AOCYTDBTGWLIKV-LRYGQEGESA-N 1 3 299.462 3.556 20 30 CHEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331234 1132462605 /nfs/dbraw/zinc/46/26/05/1132462605.db2.gz AOCYTDBTGWLIKV-LRYGQEGESA-N 1 3 299.462 3.556 20 30 CHEDHO CCC(CC)N1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591893 1132496641 /nfs/dbraw/zinc/49/66/41/1132496641.db2.gz WOPRKWYLKHLODG-UHFFFAOYSA-N 1 3 291.483 3.701 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606529 1133726710 /nfs/dbraw/zinc/72/67/10/1133726710.db2.gz OFAVXCXOHDNLKU-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606529 1133726714 /nfs/dbraw/zinc/72/67/14/1133726714.db2.gz OFAVXCXOHDNLKU-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209445341 1134025147 /nfs/dbraw/zinc/02/51/47/1134025147.db2.gz IVTSULWDMRGWSG-UHFFFAOYSA-N 1 3 278.484 3.931 20 30 CHEDHO C=CCC[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948613 263368033 /nfs/dbraw/zinc/36/80/33/263368033.db2.gz VDDVTIFANFZAED-ZWKOTPCHSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948613 263368034 /nfs/dbraw/zinc/36/80/34/263368034.db2.gz VDDVTIFANFZAED-ZWKOTPCHSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000341948613 263368036 /nfs/dbraw/zinc/36/80/36/263368036.db2.gz VDDVTIFANFZAED-ZWKOTPCHSA-N 1 3 272.436 3.768 20 30 CHEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185762042 327844660 /nfs/dbraw/zinc/84/46/60/327844660.db2.gz QSJRXHHXYAJMOK-QFBILLFUSA-N 1 3 299.462 3.700 20 30 CHEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000537046892 330394277 /nfs/dbraw/zinc/39/42/77/330394277.db2.gz PUXDXDSRCAILPO-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000537046892 330394278 /nfs/dbraw/zinc/39/42/78/330394278.db2.gz PUXDXDSRCAILPO-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000537046892 330394279 /nfs/dbraw/zinc/39/42/79/330394279.db2.gz PUXDXDSRCAILPO-SJORKVTESA-N 1 3 264.457 3.539 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C3CC3)cc2)CC1 ZINC000459395873 331279844 /nfs/dbraw/zinc/27/98/44/331279844.db2.gz CZSLOYYLLCUIJQ-UHFFFAOYSA-N 1 3 284.447 3.694 20 30 CHEDHO C[C@H]1C[C@@H](NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000459726288 331296061 /nfs/dbraw/zinc/29/60/61/331296061.db2.gz DSWKYXIBOQIJCJ-WMZOPIPTSA-N 1 3 299.462 3.569 20 30 CHEDHO C[C@H]1C[C@@H](NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000459726288 331296062 /nfs/dbraw/zinc/29/60/62/331296062.db2.gz DSWKYXIBOQIJCJ-WMZOPIPTSA-N 1 3 299.462 3.569 20 30 CHEDHO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000467412776 331418230 /nfs/dbraw/zinc/41/82/30/331418230.db2.gz UJMCNYBRKWUZSQ-WBVHZDCISA-N 1 3 290.451 3.632 20 30 CHEDHO CN(CCC[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000135138709 334117213 /nfs/dbraw/zinc/11/72/13/334117213.db2.gz ITDVVQJSKNULTI-UHFFFAOYSA-N 1 3 279.472 3.561 20 30 CHEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782295 334317383 /nfs/dbraw/zinc/31/73/83/334317383.db2.gz IAWMDQLNEDZWFG-ZACQAIPSSA-N 1 3 291.483 3.559 20 30 CHEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248782295 334317385 /nfs/dbraw/zinc/31/73/85/334317385.db2.gz IAWMDQLNEDZWFG-ZACQAIPSSA-N 1 3 291.483 3.559 20 30 CHEDHO C=CCC[C@H](NCC1CC[NH+](CC)CC1)c1ccco1 ZINC000554586524 334441200 /nfs/dbraw/zinc/44/12/00/334441200.db2.gz ZYZYGSDRCNVTGC-INIZCTEOSA-N 1 3 276.424 3.608 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235405491 1130738377 /nfs/dbraw/zinc/73/83/77/1130738377.db2.gz PHXARJHFUITYAC-DLBZAZTESA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235405491 1130738383 /nfs/dbraw/zinc/73/83/83/1130738383.db2.gz PHXARJHFUITYAC-DLBZAZTESA-N 1 3 284.463 3.761 20 30 CHEDHO CCCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405491 1130738388 /nfs/dbraw/zinc/73/83/88/1130738388.db2.gz PHXARJHFUITYAC-DLBZAZTESA-N 1 3 284.463 3.761 20 30 CHEDHO C=CCCCCCCCCCN1CCC[NH2+]CCC1 ZINC001236240653 1130902299 /nfs/dbraw/zinc/90/22/99/1130902299.db2.gz RRDZBMKPPCNBKU-UHFFFAOYSA-N 1 3 266.473 3.979 20 30 CHEDHO C=C[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1C=C ZINC000489437280 1127103704 /nfs/dbraw/zinc/10/37/04/1127103704.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1C=C ZINC000489437280 1127103707 /nfs/dbraw/zinc/10/37/07/1127103707.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1C=C ZINC000489437280 1127103711 /nfs/dbraw/zinc/10/37/11/1127103711.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1C=C ZINC000489437280 1127103712 /nfs/dbraw/zinc/10/37/12/1127103712.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 1 3 274.452 3.624 20 30 CHEDHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1ccc(C#N)cc1 ZINC000593323095 1127538112 /nfs/dbraw/zinc/53/81/12/1127538112.db2.gz PLJDLARQCQPYIH-LJQANCHMSA-N 1 3 293.414 3.519 20 30 CHEDHO C=CCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236454039 1128771290 /nfs/dbraw/zinc/77/12/90/1128771290.db2.gz UXVVADLFCXQVJE-UHFFFAOYSA-N 1 3 292.854 3.860 20 30 CHEDHO C=CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454039 1128771292 /nfs/dbraw/zinc/77/12/92/1128771292.db2.gz UXVVADLFCXQVJE-UHFFFAOYSA-N 1 3 292.854 3.860 20 30 CHEDHO C=CCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454039 1128771294 /nfs/dbraw/zinc/77/12/94/1128771294.db2.gz UXVVADLFCXQVJE-UHFFFAOYSA-N 1 3 292.854 3.860 20 30 CHEDHO CCCCCCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000228082689 1120768598 /nfs/dbraw/zinc/76/85/98/1120768598.db2.gz URTCENJMYGCFKC-KRWDZBQOSA-N 1 3 266.473 3.813 20 30 CHEDHO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512661422 1121517165 /nfs/dbraw/zinc/51/71/65/1121517165.db2.gz SCWCSYFAGCYADZ-OJAHFUOMSA-N 1 3 298.474 3.841 20 30 CHEDHO C=C(CC)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001191359818 1122596285 /nfs/dbraw/zinc/59/62/85/1122596285.db2.gz ZCNZIRDAAWZAOY-FQEVSTJZSA-N 1 3 298.474 3.941 20 30 CHEDHO C=C(CC)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001191359818 1122596288 /nfs/dbraw/zinc/59/62/88/1122596288.db2.gz ZCNZIRDAAWZAOY-FQEVSTJZSA-N 1 3 298.474 3.941 20 30 CHEDHO CCCCCCCCCC[C@@H](O)CNCC[C@H]1CCC[NH2+]1 ZINC001245990973 1131265429 /nfs/dbraw/zinc/26/54/29/1131265429.db2.gz ADHIXNPPOLCDJM-QZTJIDSGSA-N 1 3 298.515 3.610 20 30 CHEDHO CCCCCCC[C@H](CCC)[NH2+]CC1(C)CNC1 ZINC001246093834 1131306048 /nfs/dbraw/zinc/30/60/48/1131306048.db2.gz LBQFYSMRQKHLNP-HNNXBMFYSA-N 1 3 254.462 3.715 20 30 CHEDHO CCCCCCC[C@@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246113977 1131335194 /nfs/dbraw/zinc/33/51/94/1131335194.db2.gz OSCJVLRTCFUYKV-CVEARBPZSA-N 1 3 272.452 3.807 20 30 CHEDHO C=CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169124699 1129701417 /nfs/dbraw/zinc/70/14/17/1129701417.db2.gz SGKYGYHMQVQZQX-ZJPYXAASSA-N 1 3 270.420 3.519 20 30 CHEDHO C=CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169124699 1129701419 /nfs/dbraw/zinc/70/14/19/1129701419.db2.gz SGKYGYHMQVQZQX-ZJPYXAASSA-N 1 3 270.420 3.519 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246560210 1131622698 /nfs/dbraw/zinc/62/26/98/1131622698.db2.gz BQFMPHLGKQSIDP-HRCADAONSA-N 1 3 254.462 3.795 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246560210 1131622700 /nfs/dbraw/zinc/62/27/00/1131622700.db2.gz BQFMPHLGKQSIDP-HRCADAONSA-N 1 3 254.462 3.795 20 30 CHEDHO C=CC[N@@H+]([C@H]1CCN[C@@H](CCCC)C1)C(C)(C)C ZINC001246921282 1131818050 /nfs/dbraw/zinc/81/80/50/1131818050.db2.gz PDNDSCIZNSZLRC-GJZGRUSLSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CC[N@H+]([C@H]1CCN[C@@H](CCCC)C1)C(C)(C)C ZINC001246921282 1131818053 /nfs/dbraw/zinc/81/80/53/1131818053.db2.gz PDNDSCIZNSZLRC-GJZGRUSLSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCN([C@H]1CC[NH2+][C@@H](CCCC)C1)C(C)(C)C ZINC001246921282 1131818063 /nfs/dbraw/zinc/81/80/63/1131818063.db2.gz PDNDSCIZNSZLRC-GJZGRUSLSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCCCC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209202656 1133987452 /nfs/dbraw/zinc/98/74/52/1133987452.db2.gz MJTJJPPEKZHHQK-QGZVFWFLSA-N 1 3 264.457 3.683 20 30 CHEDHO C=CCCCC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209202656 1133987458 /nfs/dbraw/zinc/98/74/58/1133987458.db2.gz MJTJJPPEKZHHQK-QGZVFWFLSA-N 1 3 264.457 3.683 20 30 CHEDHO C=CCCC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000448022630 260576055 /nfs/dbraw/zinc/57/60/55/260576055.db2.gz OYMIVPVHVBLTKQ-NVXWUHKLSA-N 1 3 264.457 3.585 20 30 CHEDHO C=CCC[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948609 263368061 /nfs/dbraw/zinc/36/80/61/263368061.db2.gz VDDVTIFANFZAED-QZTJIDSGSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948609 263368064 /nfs/dbraw/zinc/36/80/64/263368064.db2.gz VDDVTIFANFZAED-QZTJIDSGSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000341948609 263368066 /nfs/dbraw/zinc/36/80/66/263368066.db2.gz VDDVTIFANFZAED-QZTJIDSGSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414682810 328213899 /nfs/dbraw/zinc/21/38/99/328213899.db2.gz RZOLPNGUWHMNCU-QWHCGFSZSA-N 1 3 298.883 3.778 20 30 CHEDHO C=CCC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC1 ZINC000119995236 330384420 /nfs/dbraw/zinc/38/44/20/330384420.db2.gz CSMUHZSNIZGUDV-GOSISDBHSA-N 1 3 272.436 3.583 20 30 CHEDHO C=CCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000488393694 332003747 /nfs/dbraw/zinc/00/37/47/332003747.db2.gz DUGONQMPPZIATG-KRWDZBQOSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000488393694 332003749 /nfs/dbraw/zinc/00/37/49/332003749.db2.gz DUGONQMPPZIATG-KRWDZBQOSA-N 1 3 264.457 3.541 20 30 CHEDHO C=CCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488393694 332003750 /nfs/dbraw/zinc/00/37/50/332003750.db2.gz DUGONQMPPZIATG-KRWDZBQOSA-N 1 3 264.457 3.541 20 30 CHEDHO C[NH+](C)CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569395 1128587923 /nfs/dbraw/zinc/58/79/23/1128587923.db2.gz QEDATJMGMJPKIU-QZTJIDSGSA-N 1 3 299.462 3.502 20 30 CHEDHO C[C@H](NCC#CC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000556501979 1128597904 /nfs/dbraw/zinc/59/79/04/1128597904.db2.gz ONBVDQVKSDBTHS-ROUUACIJSA-N 1 3 292.426 3.691 20 30 CHEDHO C=CCCCCCCC[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206768100 1117827872 /nfs/dbraw/zinc/82/78/72/1117827872.db2.gz HBELMZCQYPIRHN-JKSUJKDBSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206768100 1117827878 /nfs/dbraw/zinc/82/78/78/1117827878.db2.gz HBELMZCQYPIRHN-JKSUJKDBSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCCC[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206770107 1117856388 /nfs/dbraw/zinc/85/63/88/1117856388.db2.gz QUTPQZLUFVMDQK-IRXDYDNUSA-N 1 3 266.473 3.962 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206770107 1117856392 /nfs/dbraw/zinc/85/63/92/1117856392.db2.gz QUTPQZLUFVMDQK-IRXDYDNUSA-N 1 3 266.473 3.962 20 30 CHEDHO C=CCCCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000806168580 1118031807 /nfs/dbraw/zinc/03/18/07/1118031807.db2.gz SFEOKZPAEZAERE-UHFFFAOYSA-N 1 3 266.473 3.975 20 30 CHEDHO C=CCCCCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001209441840 1118060674 /nfs/dbraw/zinc/06/06/74/1118060674.db2.gz KWEBVIUCQNWKDK-QZTJIDSGSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209441840 1118060680 /nfs/dbraw/zinc/06/06/80/1118060680.db2.gz KWEBVIUCQNWKDK-QZTJIDSGSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000471584536 1118467423 /nfs/dbraw/zinc/46/74/23/1118467423.db2.gz HKJIZGRHUDLTHJ-XUVXKRRUSA-N 1 3 298.474 3.843 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709853055 1121374383 /nfs/dbraw/zinc/37/43/83/1121374383.db2.gz ZZTXBBNDNVPRQW-IRXDYDNUSA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709853055 1121374389 /nfs/dbraw/zinc/37/43/89/1121374389.db2.gz ZZTXBBNDNVPRQW-IRXDYDNUSA-N 1 3 266.473 3.811 20 30 CHEDHO C=C(CC)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000520590113 1123181330 /nfs/dbraw/zinc/18/13/30/1123181330.db2.gz SBVKQMFBVKPMEI-INIZCTEOSA-N 1 3 292.492 3.776 20 30 CHEDHO C=C(CC)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000520590113 1123181333 /nfs/dbraw/zinc/18/13/33/1123181333.db2.gz SBVKQMFBVKPMEI-INIZCTEOSA-N 1 3 292.492 3.776 20 30 CHEDHO C=C(C)CNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011315 1123270943 /nfs/dbraw/zinc/27/09/43/1123270943.db2.gz NOHWOBJWQJTSPI-HZPDHXFCSA-N 1 3 272.436 3.594 20 30 CHEDHO C#C[C@](C)(CC)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021948 1123429555 /nfs/dbraw/zinc/42/95/55/1123429555.db2.gz RNFNKXSEEXNWFR-ABSDTBQOSA-N 1 3 298.474 3.820 20 30 CHEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001245983730 1131265202 /nfs/dbraw/zinc/26/52/02/1131265202.db2.gz OLBCXSZXPMZICS-KSZLIROESA-N 1 3 298.515 3.608 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001245983730 1131265207 /nfs/dbraw/zinc/26/52/07/1131265207.db2.gz OLBCXSZXPMZICS-KSZLIROESA-N 1 3 298.515 3.608 20 30 CHEDHO C=CCCC[C@@H](C)N1CCC(CC)([NH+](C)C)CC1 ZINC000640016916 1125367557 /nfs/dbraw/zinc/36/75/57/1125367557.db2.gz GEUBTXQQUPGMDJ-OAHLLOKOSA-N 1 3 252.446 3.537 20 30 CHEDHO CCCCCCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000744423868 1129577291 /nfs/dbraw/zinc/57/72/91/1129577291.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000744423868 1129577294 /nfs/dbraw/zinc/57/72/94/1129577294.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000744423868 1129577295 /nfs/dbraw/zinc/57/72/95/1129577295.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000744423868 1129577298 /nfs/dbraw/zinc/57/72/98/1129577298.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246187321 1131385393 /nfs/dbraw/zinc/38/53/93/1131385393.db2.gz GLKREBTYRUHDIC-OAGGEKHMSA-N 1 3 254.462 3.841 20 30 CHEDHO C=CCC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258723238 1129578634 /nfs/dbraw/zinc/57/86/34/1129578634.db2.gz YLJQGUPCOVETAN-ZDUSSCGKSA-N 1 3 252.446 3.582 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC001236603699 1130982578 /nfs/dbraw/zinc/98/25/78/1130982578.db2.gz CPRLNLPXDNYHLQ-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC001236603699 1130982584 /nfs/dbraw/zinc/98/25/84/1130982584.db2.gz CPRLNLPXDNYHLQ-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817930773 1131192274 /nfs/dbraw/zinc/19/22/74/1131192274.db2.gz GJSCMLIMZGGKJN-AWEZNQCLSA-N 1 3 275.440 3.636 20 30 CHEDHO CCCCCCCC[C@H](CCC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246291504 1131447835 /nfs/dbraw/zinc/44/78/35/1131447835.db2.gz HCTAQBVWLLPGAA-ZWKOTPCHSA-N 1 3 298.515 3.610 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@H](CF)[C@H](C2(N)CC2)C1 ZINC001246692382 1131782603 /nfs/dbraw/zinc/78/26/03/1131782603.db2.gz NSDPTDGJNRWNFS-HRCADAONSA-N 1 3 284.463 3.744 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1C[C@H](CF)[C@H](C2(N)CC2)C1 ZINC001246692382 1131782610 /nfs/dbraw/zinc/78/26/10/1131782610.db2.gz NSDPTDGJNRWNFS-HRCADAONSA-N 1 3 284.463 3.744 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CCC[C@H](N)C1 ZINC001204877989 1133495043 /nfs/dbraw/zinc/49/50/43/1133495043.db2.gz RQNBTRLYVMZMRO-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CCC[C@H](N)C1 ZINC001204877989 1133495044 /nfs/dbraw/zinc/49/50/44/1133495044.db2.gz RQNBTRLYVMZMRO-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209207070 1133987220 /nfs/dbraw/zinc/98/72/20/1133987220.db2.gz KDLYULKGTOTRFY-DLBZAZTESA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCCCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209207070 1133987223 /nfs/dbraw/zinc/98/72/23/1133987223.db2.gz KDLYULKGTOTRFY-DLBZAZTESA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCCCC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209202655 1133988138 /nfs/dbraw/zinc/98/81/38/1133988138.db2.gz MJTJJPPEKZHHQK-KRWDZBQOSA-N 1 3 264.457 3.683 20 30 CHEDHO C=CCCCC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209202655 1133988142 /nfs/dbraw/zinc/98/81/42/1133988142.db2.gz MJTJJPPEKZHHQK-KRWDZBQOSA-N 1 3 264.457 3.683 20 30 CHEDHO C#CCCCN1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209266374 1133999022 /nfs/dbraw/zinc/99/90/22/1133999022.db2.gz VWFXFWRIJNNPHI-UFYCRDLUSA-N 1 3 296.458 3.510 20 30 CHEDHO C#CCCCN1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209266374 1133999026 /nfs/dbraw/zinc/99/90/26/1133999026.db2.gz VWFXFWRIJNNPHI-UFYCRDLUSA-N 1 3 296.458 3.510 20 30 CHEDHO C=CCCCCCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265457 1135216489 /nfs/dbraw/zinc/21/64/89/1135216489.db2.gz TYJGFTZAMUAIGK-GOSISDBHSA-N 1 3 278.484 3.979 20 30 CHEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185762081 327844801 /nfs/dbraw/zinc/84/48/01/327844801.db2.gz QSJRXHHXYAJMOK-VQIMIIECSA-N 1 3 299.462 3.700 20 30 CHEDHO C=CCC[C@@H](NCC1CC[NH+](CCC)CC1)c1ccco1 ZINC000561314157 327385090 /nfs/dbraw/zinc/38/50/90/327385090.db2.gz DQVMGCZGRVXXTF-QGZVFWFLSA-N 1 3 290.451 3.999 20 30 CHEDHO C=CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423000570 330163884 /nfs/dbraw/zinc/16/38/84/330163884.db2.gz VOJSTJWFWVSABW-WFFDWFOESA-N 1 3 270.420 3.567 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000467405834 331417842 /nfs/dbraw/zinc/41/78/42/331417842.db2.gz HSMOWZDOIWGUEZ-RYRKJORJSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000449130230 1124653112 /nfs/dbraw/zinc/65/31/12/1124653112.db2.gz GBMHKXKPDSUAAJ-DLBZAZTESA-N 1 3 266.473 3.831 20 30 CHEDHO CCCCCCC/C=C/C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001208124423 1133880395 /nfs/dbraw/zinc/88/03/95/1133880395.db2.gz QRBYCTUQTMPEKA-QZEKMECESA-N 1 3 278.484 3.931 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CCC[C@H](CN)C1 ZINC001235673543 1130764826 /nfs/dbraw/zinc/76/48/26/1130764826.db2.gz NLPMZRHBDUUDAA-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC001235673543 1130764831 /nfs/dbraw/zinc/76/48/31/1130764831.db2.gz NLPMZRHBDUUDAA-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCCCN1CCC[C@H](C[NH3+])C1 ZINC001235673543 1130764835 /nfs/dbraw/zinc/76/48/35/1130764835.db2.gz NLPMZRHBDUUDAA-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCCCN(C)C[C@H]1CC[NH2+]C1 ZINC001235843180 1130786749 /nfs/dbraw/zinc/78/67/49/1130786749.db2.gz XEJWFVORXQQZRN-KRWDZBQOSA-N 1 3 266.473 3.835 20 30 CHEDHO C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000448028884 1118922291 /nfs/dbraw/zinc/92/22/91/1118922291.db2.gz PGNOJQXTAUKCKU-XUVXKRRUSA-N 1 3 298.474 3.843 20 30 CHEDHO CCCCCCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103985106 1118965848 /nfs/dbraw/zinc/96/58/48/1118965848.db2.gz PHIHUZZZRPKBAQ-XYPWUTKMSA-N 1 3 252.446 3.562 20 30 CHEDHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443389 1120530018 /nfs/dbraw/zinc/53/00/18/1120530018.db2.gz SIYVRLCWNBLQMV-WMLDXEAASA-N 1 3 287.451 3.575 20 30 CHEDHO C=CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716640506 1122523872 /nfs/dbraw/zinc/52/38/72/1122523872.db2.gz WSYZVXURICNHCI-ZCNNSNEGSA-N 1 3 298.474 3.985 20 30 CHEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001245983743 1131265449 /nfs/dbraw/zinc/26/54/49/1131265449.db2.gz OLBCXSZXPMZICS-KURKYZTESA-N 1 3 298.515 3.608 20 30 CHEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001245983743 1131265454 /nfs/dbraw/zinc/26/54/54/1131265454.db2.gz OLBCXSZXPMZICS-KURKYZTESA-N 1 3 298.515 3.608 20 30 CHEDHO C[C@H](CCC#N)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000876993912 1124994549 /nfs/dbraw/zinc/99/45/49/1124994549.db2.gz VYAJYEQLAWTSED-MRXNPFEDSA-N 1 3 291.483 3.561 20 30 CHEDHO C=CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365725 1130737658 /nfs/dbraw/zinc/73/76/58/1130737658.db2.gz PCTLJKYBYUYGKT-WOJBJXKFSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365725 1130737661 /nfs/dbraw/zinc/73/76/61/1130737661.db2.gz PCTLJKYBYUYGKT-WOJBJXKFSA-N 1 3 298.474 3.596 20 30 CHEDHO C=C(C)[C@@H]1CC=C(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584522 1130980997 /nfs/dbraw/zinc/98/09/97/1130980997.db2.gz HIUBJGFLZVQUFN-QZTJIDSGSA-N 1 3 288.479 3.753 20 30 CHEDHO C=CCCCCC[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001237305285 1131081993 /nfs/dbraw/zinc/08/19/93/1131081993.db2.gz UEWSXKPQNMCXDI-UHFFFAOYSA-N 1 3 284.447 3.827 20 30 CHEDHO C=CCCCCC[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001237305285 1131082001 /nfs/dbraw/zinc/08/20/01/1131082001.db2.gz UEWSXKPQNMCXDI-UHFFFAOYSA-N 1 3 284.447 3.827 20 30 CHEDHO CCCCCCC[NH2+][C@@H]1CCN[C@H](CCCC)C1 ZINC001246227597 1131414770 /nfs/dbraw/zinc/41/47/70/1131414770.db2.gz DNZRKEKLTRYTFS-HZPDHXFCSA-N 1 3 254.462 3.857 20 30 CHEDHO CCCCCCC[NH2+][C@H]1CCN[C@@H](CCCC)C1 ZINC001246227596 1131416356 /nfs/dbraw/zinc/41/63/56/1131416356.db2.gz DNZRKEKLTRYTFS-HOTGVXAUSA-N 1 3 254.462 3.857 20 30 CHEDHO CCCCCCC[C@@H](CC)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246512063 1131537910 /nfs/dbraw/zinc/53/79/10/1131537910.db2.gz AKOVGCSDHWJKHS-SJORKVTESA-N 1 3 266.473 3.713 20 30 CHEDHO CCCN(CCC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291848 1133788160 /nfs/dbraw/zinc/78/81/60/1133788160.db2.gz ZLZMXXSAYFXMHE-UHFFFAOYSA-N 1 3 299.462 3.524 20 30 CHEDHO CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001208124423 1133880389 /nfs/dbraw/zinc/88/03/89/1133880389.db2.gz QRBYCTUQTMPEKA-QZEKMECESA-N 1 3 278.484 3.931 20 30 CHEDHO C=CCC[C@@H](NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000574506274 335024716 /nfs/dbraw/zinc/02/47/16/335024716.db2.gz DVSSUDOKTZSTNO-QGZVFWFLSA-N 1 3 290.451 3.999 20 30 CHEDHO C=CCC[C@@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935267 263139367 /nfs/dbraw/zinc/13/93/67/263139367.db2.gz FPQBUSGZSXGKML-RDTXWAMCSA-N 1 3 268.404 3.784 20 30 CHEDHO C[C@@H](NCC#CC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000551395632 334248941 /nfs/dbraw/zinc/24/89/41/334248941.db2.gz ONBVDQVKSDBTHS-QZTJIDSGSA-N 1 3 292.426 3.691 20 30 CHEDHO C=CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000117883841 1120519179 /nfs/dbraw/zinc/51/91/79/1120519179.db2.gz KRGQKUJXKGYDAP-IAGOWNOFSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000117883841 1120519183 /nfs/dbraw/zinc/51/91/83/1120519183.db2.gz KRGQKUJXKGYDAP-IAGOWNOFSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CC1CCN([C@@H](C)CC[NH+]2CCC(C=C)CC2)CC1 ZINC000431598920 1121008794 /nfs/dbraw/zinc/00/87/94/1121008794.db2.gz ZYWLTXGTULPSSI-INIZCTEOSA-N 1 3 276.468 3.561 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205904754 1123069689 /nfs/dbraw/zinc/06/96/89/1123069689.db2.gz XELFPXIVIQARCN-JKSUJKDBSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205904754 1123069692 /nfs/dbraw/zinc/06/96/92/1123069692.db2.gz XELFPXIVIQARCN-JKSUJKDBSA-N 1 3 252.446 3.572 20 30 CHEDHO C=C[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1C=C ZINC000489437284 1127104029 /nfs/dbraw/zinc/10/40/29/1127104029.db2.gz NUOKIHNIAUYHJE-ZWHYWQQASA-N 1 3 274.452 3.624 20 30 CHEDHO C=C[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1C=C ZINC000489437284 1127104031 /nfs/dbraw/zinc/10/40/31/1127104031.db2.gz NUOKIHNIAUYHJE-ZWHYWQQASA-N 1 3 274.452 3.624 20 30 CHEDHO C=CCCCCCCC[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206768099 1117828151 /nfs/dbraw/zinc/82/81/51/1117828151.db2.gz HBELMZCQYPIRHN-HZPDHXFCSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206768099 1117828158 /nfs/dbraw/zinc/82/81/58/1117828158.db2.gz HBELMZCQYPIRHN-HZPDHXFCSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001209438675 1118056494 /nfs/dbraw/zinc/05/64/94/1118056494.db2.gz RXLFRUSEPNLCSU-UHFFFAOYSA-N 1 3 287.451 3.730 20 30 CHEDHO C=CCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000471584534 1118467443 /nfs/dbraw/zinc/46/74/43/1118467443.db2.gz HKJIZGRHUDLTHJ-VAMGGRTRSA-N 1 3 298.474 3.843 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253194307 1119472021 /nfs/dbraw/zinc/47/20/21/1119472021.db2.gz PUTRZXBMIWDHSK-OWCLPIDISA-N 1 3 254.462 3.652 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253194307 1119472022 /nfs/dbraw/zinc/47/20/22/1119472022.db2.gz PUTRZXBMIWDHSK-OWCLPIDISA-N 1 3 254.462 3.652 20 30 CHEDHO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000543462080 1120528415 /nfs/dbraw/zinc/52/84/15/1120528415.db2.gz WJHPDZCPBQNOAT-ULQDDVLXSA-N 1 3 278.484 3.974 20 30 CHEDHO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467660 1120983830 /nfs/dbraw/zinc/98/38/30/1120983830.db2.gz HBXUVJNEHCCXMN-QZTJIDSGSA-N 1 3 278.484 3.833 20 30 CHEDHO C=CC1CCN(CC[C@H](C)[NH+]2CCC(C=C)CC2)CC1 ZINC000431598920 1121008789 /nfs/dbraw/zinc/00/87/89/1121008789.db2.gz ZYWLTXGTULPSSI-INIZCTEOSA-N 1 3 276.468 3.561 20 30 CHEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)C1 ZINC001201567262 1123125773 /nfs/dbraw/zinc/12/57/73/1123125773.db2.gz WGLOOZZIQASILD-FGTMMUONSA-N 1 3 278.484 3.689 20 30 CHEDHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511214 1124483697 /nfs/dbraw/zinc/48/36/97/1124483697.db2.gz SKPFORGXKYGIAD-LPHOPBHVSA-N 1 3 299.462 3.863 20 30 CHEDHO CCCCCCC[C@@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246113979 1131335284 /nfs/dbraw/zinc/33/52/84/1131335284.db2.gz OSCJVLRTCFUYKV-HZPDHXFCSA-N 1 3 272.452 3.807 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166648 1130716116 /nfs/dbraw/zinc/71/61/16/1130716116.db2.gz UUZNMCUEPMDEHL-DLBZAZTESA-N 1 3 264.457 3.716 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166648 1130716119 /nfs/dbraw/zinc/71/61/19/1130716119.db2.gz UUZNMCUEPMDEHL-DLBZAZTESA-N 1 3 264.457 3.716 20 30 CHEDHO C=CCCCCCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380876 1130737890 /nfs/dbraw/zinc/73/78/90/1130737890.db2.gz WTYLJHIRYMDAST-UXHICEINSA-N 1 3 298.474 3.812 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC001235675426 1130766376 /nfs/dbraw/zinc/76/63/76/1130766376.db2.gz YAIMQNOAFGJVCK-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC001235675426 1130766378 /nfs/dbraw/zinc/76/63/78/1130766378.db2.gz YAIMQNOAFGJVCK-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC001235675426 1130766381 /nfs/dbraw/zinc/76/63/81/1130766381.db2.gz YAIMQNOAFGJVCK-INIZCTEOSA-N 1 3 252.446 3.574 20 30 CHEDHO C=CCCCCCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958276 1130816685 /nfs/dbraw/zinc/81/66/85/1130816685.db2.gz CJWMUOXPZOOALP-BJWYYQGGSA-N 1 3 264.457 3.572 20 30 CHEDHO C=CCCCCCCCCN1CCC[NH2+]CCC1 ZINC001236241421 1130902488 /nfs/dbraw/zinc/90/24/88/1130902488.db2.gz YVDBZOIJUYPQSO-UHFFFAOYSA-N 1 3 252.446 3.589 20 30 CHEDHO C=CCCCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373791 1130923153 /nfs/dbraw/zinc/92/31/53/1130923153.db2.gz LGLWDXXFSDIQGT-KRWDZBQOSA-N 1 3 278.484 3.977 20 30 CHEDHO C=CCCCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373791 1130923157 /nfs/dbraw/zinc/92/31/57/1130923157.db2.gz LGLWDXXFSDIQGT-KRWDZBQOSA-N 1 3 278.484 3.977 20 30 CHEDHO C#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237886734 1131148838 /nfs/dbraw/zinc/14/88/38/1131148838.db2.gz QWASBXJYFPTDCZ-INIZCTEOSA-N 1 3 294.442 3.533 20 30 CHEDHO C#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237886734 1131148839 /nfs/dbraw/zinc/14/88/39/1131148839.db2.gz QWASBXJYFPTDCZ-INIZCTEOSA-N 1 3 294.442 3.533 20 30 CHEDHO C=CCCCN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278253722 1131220537 /nfs/dbraw/zinc/22/05/37/1131220537.db2.gz LOIPRYZIPKYWIC-GOSISDBHSA-N 1 3 276.468 3.683 20 30 CHEDHO C=CCCCN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278253722 1131220541 /nfs/dbraw/zinc/22/05/41/1131220541.db2.gz LOIPRYZIPKYWIC-GOSISDBHSA-N 1 3 276.468 3.683 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1C[C@H](C2(N)CC2)[C@H](CF)C1 ZINC001246692407 1131782635 /nfs/dbraw/zinc/78/26/35/1131782635.db2.gz NSDPTDGJNRWNFS-XHSDSOJGSA-N 1 3 284.463 3.744 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@H](C2(N)CC2)[C@H](CF)C1 ZINC001246692407 1131782643 /nfs/dbraw/zinc/78/26/43/1131782643.db2.gz NSDPTDGJNRWNFS-XHSDSOJGSA-N 1 3 284.463 3.744 20 30 CHEDHO C#C[C@@](C)(CC)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982342 1132119237 /nfs/dbraw/zinc/11/92/37/1132119237.db2.gz HKLIYRWMOFVPTL-ICSRJNTNSA-N 1 3 298.474 3.821 20 30 CHEDHO C#C[C@@](C)(CC)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982342 1132119241 /nfs/dbraw/zinc/11/92/41/1132119241.db2.gz HKLIYRWMOFVPTL-ICSRJNTNSA-N 1 3 298.474 3.821 20 30 CHEDHO C=CCCCCCCCCCN1CCC([NH3+])CC1 ZINC001204646129 1133471515 /nfs/dbraw/zinc/47/15/15/1133471515.db2.gz HUBLTKGAQKPKIP-UHFFFAOYSA-N 1 3 252.446 3.716 20 30 CHEDHO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCCN2CCCC2)CC1 ZINC001208176984 1133899003 /nfs/dbraw/zinc/89/90/03/1133899003.db2.gz LYGSHJFGEZCFFU-GOSISDBHSA-N 1 3 276.468 3.707 20 30 CHEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCCN2CCCC2)CC1 ZINC001208176984 1133899007 /nfs/dbraw/zinc/89/90/07/1133899007.db2.gz LYGSHJFGEZCFFU-GOSISDBHSA-N 1 3 276.468 3.707 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615755 1135256617 /nfs/dbraw/zinc/25/66/17/1135256617.db2.gz SAOUYONGXPCRJP-DLBZAZTESA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615755 1135256622 /nfs/dbraw/zinc/25/66/22/1135256622.db2.gz SAOUYONGXPCRJP-DLBZAZTESA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCC[C@@H](CCC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423402763 330196421 /nfs/dbraw/zinc/19/64/21/330196421.db2.gz WQHAWRRUGTZPDQ-QGZVFWFLSA-N 1 3 258.409 3.514 20 30 CHEDHO C=C1CCN(Cc2ccc(C[NH+]3CCC(=C)CC3)cc2)CC1 ZINC000533283312 330356505 /nfs/dbraw/zinc/35/65/05/330356505.db2.gz YXXIAFRGLQXKHT-UHFFFAOYSA-N 1 3 296.458 3.991 20 30 CHEDHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152470 331825531 /nfs/dbraw/zinc/82/55/31/331825531.db2.gz RCGNWRCMWLJNND-IAGOWNOFSA-N 1 3 293.499 3.807 20 30 CHEDHO C=CCCCCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209441839 1118060235 /nfs/dbraw/zinc/06/02/35/1118060235.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209441839 1118060240 /nfs/dbraw/zinc/06/02/40/1118060240.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001209441839 1118060247 /nfs/dbraw/zinc/06/02/47/1118060247.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001209441839 1118060251 /nfs/dbraw/zinc/06/02/51/1118060251.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 1 3 278.484 3.787 20 30 CHEDHO CCCCCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201852663 1123152259 /nfs/dbraw/zinc/15/22/59/1123152259.db2.gz GQPSDHQNZIUVHJ-IAGOWNOFSA-N 1 3 266.473 3.621 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCCC12CCNCC2 ZINC001235139872 1130714191 /nfs/dbraw/zinc/71/41/91/1130714191.db2.gz DZNPHGIAHCJZFZ-UHFFFAOYSA-N 1 3 264.457 3.731 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCCC12CCNCC2 ZINC001235139872 1130714196 /nfs/dbraw/zinc/71/41/96/1130714196.db2.gz DZNPHGIAHCJZFZ-UHFFFAOYSA-N 1 3 264.457 3.731 20 30 CHEDHO CCCCCCC[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246229001 1131415051 /nfs/dbraw/zinc/41/50/51/1131415051.db2.gz HTQCFWMXIBGNFC-LSDHHAIUSA-N 1 3 254.462 3.713 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2ccccc2C2CC2)CC1 ZINC000674334365 1121120399 /nfs/dbraw/zinc/12/03/99/1121120399.db2.gz FQRQJPBBBWBXPS-UHFFFAOYSA-N 1 3 284.447 3.694 20 30 CHEDHO C=CCCC[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001175353481 1121294392 /nfs/dbraw/zinc/29/43/92/1121294392.db2.gz ZXYVVPCKTJYQKP-QGZVFWFLSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001175353481 1121294396 /nfs/dbraw/zinc/29/43/96/1121294396.db2.gz ZXYVVPCKTJYQKP-QGZVFWFLSA-N 1 3 264.457 3.539 20 30 CHEDHO N#CCCC[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000433023492 1121522437 /nfs/dbraw/zinc/52/24/37/1121522437.db2.gz QNCCTZCSKYGKAB-LJQANCHMSA-N 1 3 299.462 3.887 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205904747 1123069013 /nfs/dbraw/zinc/06/90/13/1123069013.db2.gz XELFPXIVIQARCN-HOTGVXAUSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205904747 1123069009 /nfs/dbraw/zinc/06/90/09/1123069009.db2.gz XELFPXIVIQARCN-HOTGVXAUSA-N 1 3 252.446 3.572 20 30 CHEDHO CCCCCCCCCCCC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1 ZINC001245989777 1131266549 /nfs/dbraw/zinc/26/65/49/1131266549.db2.gz XZAYGYOTHFISPY-BZSNNMDCSA-N 1 3 298.515 3.738 20 30 CHEDHO CC(C)CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047463 1129277176 /nfs/dbraw/zinc/27/71/76/1129277176.db2.gz NUDJUWSINUAMFH-LJQANCHMSA-N 1 3 299.462 3.501 20 30 CHEDHO CC(C)CN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000348047463 1129277180 /nfs/dbraw/zinc/27/71/80/1129277180.db2.gz NUDJUWSINUAMFH-LJQANCHMSA-N 1 3 299.462 3.501 20 30 CHEDHO CCCCCCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000232968040 1129515571 /nfs/dbraw/zinc/51/55/71/1129515571.db2.gz UQWPEOMFFZMTFB-MRXNPFEDSA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000232968040 1129515575 /nfs/dbraw/zinc/51/55/75/1129515575.db2.gz UQWPEOMFFZMTFB-MRXNPFEDSA-N 1 3 266.473 3.811 20 30 CHEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001258720614 1129548508 /nfs/dbraw/zinc/54/85/08/1129548508.db2.gz CBVRMGGGBSVBLJ-OAHLLOKOSA-N 1 3 264.457 3.728 20 30 CHEDHO C=CCCCCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031655 1130703726 /nfs/dbraw/zinc/70/37/26/1130703726.db2.gz NBLMQUSKGWFJJE-SFHVURJKSA-N 1 3 278.484 3.979 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235399385 1130738530 /nfs/dbraw/zinc/73/85/30/1130738530.db2.gz AWHNOLLCHACELK-ZWKOTPCHSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235399385 1130738532 /nfs/dbraw/zinc/73/85/32/1130738532.db2.gz AWHNOLLCHACELK-ZWKOTPCHSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399385 1130738534 /nfs/dbraw/zinc/73/85/34/1130738534.db2.gz AWHNOLLCHACELK-ZWKOTPCHSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235399380 1130738803 /nfs/dbraw/zinc/73/88/03/1130738803.db2.gz AWHNOLLCHACELK-MSOLQXFVSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235399380 1130738808 /nfs/dbraw/zinc/73/88/08/1130738808.db2.gz AWHNOLLCHACELK-MSOLQXFVSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399380 1130738811 /nfs/dbraw/zinc/73/88/11/1130738811.db2.gz AWHNOLLCHACELK-MSOLQXFVSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481077 1130952408 /nfs/dbraw/zinc/95/24/08/1130952408.db2.gz ONMOLZZKMYGEDO-UHFFFAOYSA-N 1 3 290.426 3.654 20 30 CHEDHO C=CCCCN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278253724 1131219709 /nfs/dbraw/zinc/21/97/09/1131219709.db2.gz LOIPRYZIPKYWIC-SFHVURJKSA-N 1 3 276.468 3.683 20 30 CHEDHO C=CCCCN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278253724 1131219715 /nfs/dbraw/zinc/21/97/15/1131219715.db2.gz LOIPRYZIPKYWIC-SFHVURJKSA-N 1 3 276.468 3.683 20 30 CHEDHO C=CC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716718471 1132030074 /nfs/dbraw/zinc/03/00/74/1132030074.db2.gz ONHYGIVJFIOLQE-KANFNMMFSA-N 1 3 284.447 3.594 20 30 CHEDHO C[C@@H](CCCC#N)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172489541 1132247173 /nfs/dbraw/zinc/24/71/73/1132247173.db2.gz UTPOENJLQTWDIW-INIZCTEOSA-N 1 3 291.483 3.703 20 30 CHEDHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331236 1132462669 /nfs/dbraw/zinc/46/26/69/1132462669.db2.gz AOCYTDBTGWLIKV-MUYFXNHWSA-N 1 3 299.462 3.556 20 30 CHEDHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331236 1132462671 /nfs/dbraw/zinc/46/26/71/1132462671.db2.gz AOCYTDBTGWLIKV-MUYFXNHWSA-N 1 3 299.462 3.556 20 30 CHEDHO C=CCCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209207358 1133988231 /nfs/dbraw/zinc/98/82/31/1133988231.db2.gz VLKHSYFHDWKMPL-WOJBJXKFSA-N 1 3 298.474 3.797 20 30 CHEDHO C=CCCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209207358 1133988234 /nfs/dbraw/zinc/98/82/34/1133988234.db2.gz VLKHSYFHDWKMPL-WOJBJXKFSA-N 1 3 298.474 3.797 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000311194379 1135128080 /nfs/dbraw/zinc/12/80/80/1135128080.db2.gz FQPOVBNMAVBSHI-INIZCTEOSA-N 1 3 254.462 3.798 20 30 CHEDHO CCCCCCCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC000311194379 1135128082 /nfs/dbraw/zinc/12/80/82/1135128082.db2.gz FQPOVBNMAVBSHI-INIZCTEOSA-N 1 3 254.462 3.798 20 30 CHEDHO C=C(C)[C@@H](N[C@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049959 330167175 /nfs/dbraw/zinc/16/71/75/330167175.db2.gz KNAKQIDSUZTQOP-MLGOLLRUSA-N 1 3 282.378 3.689 20 30 CHEDHO C=C(C)[C@@H](NC1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423054431 330170419 /nfs/dbraw/zinc/17/04/19/330170419.db2.gz UJYAUKJOOYSRLT-MKTAYPAQSA-N 1 3 294.389 3.689 20 30 CHEDHO C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423174710 330174847 /nfs/dbraw/zinc/17/48/47/330174847.db2.gz CNQNDYIFAAJZHM-LSTHTHJFSA-N 1 3 292.426 3.908 20 30 CHEDHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833104 522615745 /nfs/dbraw/zinc/61/57/45/522615745.db2.gz UFUJGPUGRXJIHX-HKUYNNGSSA-N 1 3 299.462 3.719 20 30 CHEDHO CCCCCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001201853058 1123153386 /nfs/dbraw/zinc/15/33/86/1123153386.db2.gz ZQGMEXZDERDTSD-UHFFFAOYSA-N 1 3 266.473 3.765 20 30 CHEDHO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](CN)C1 ZINC001246794835 1131783041 /nfs/dbraw/zinc/78/30/41/1131783041.db2.gz HDLNOJKQZCWGMK-HOTGVXAUSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](CN)C1 ZINC001246794835 1131783046 /nfs/dbraw/zinc/78/30/46/1131783046.db2.gz HDLNOJKQZCWGMK-HOTGVXAUSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991019 1130701138 /nfs/dbraw/zinc/70/11/38/1130701138.db2.gz FPBSNGCTRCMFSV-KRWDZBQOSA-N 1 3 266.473 3.813 20 30 CHEDHO C=CCC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CC1 ZINC000544373255 1127970852 /nfs/dbraw/zinc/97/08/52/1127970852.db2.gz WAKFCBJOKYLLBY-WBVHZDCISA-N 1 3 264.457 3.585 20 30 CHEDHO CCCCCCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000167763528 1119126554 /nfs/dbraw/zinc/12/65/54/1119126554.db2.gz IBTXKSAOEAQJHJ-JKSUJKDBSA-N 1 3 254.462 3.654 20 30 CHEDHO CCCCCCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000167763528 1119126556 /nfs/dbraw/zinc/12/65/56/1119126556.db2.gz IBTXKSAOEAQJHJ-JKSUJKDBSA-N 1 3 254.462 3.654 20 30 CHEDHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763680 1128902828 /nfs/dbraw/zinc/90/28/28/1128902828.db2.gz ARQXOPVLXQKVPP-WMLDXEAASA-N 1 3 287.451 3.575 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2cccc(C(C)C)c2)CC1 ZINC000663315769 1120922300 /nfs/dbraw/zinc/92/23/00/1120922300.db2.gz MNBICCXOAWEANY-UHFFFAOYSA-N 1 3 286.463 3.940 20 30 CHEDHO C=CCCC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764409 1120926009 /nfs/dbraw/zinc/92/60/09/1120926009.db2.gz HDYLAVVBQGMCQA-NXHRZFHOSA-N 1 3 272.436 3.672 20 30 CHEDHO CCCCCCCCCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175069917 1121172457 /nfs/dbraw/zinc/17/24/57/1121172457.db2.gz JUBIPXWVLJEJCV-FVQHAEBGSA-N 1 3 266.473 3.619 20 30 CHEDHO CCCCCCCCCC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC001246045450 1131277677 /nfs/dbraw/zinc/27/76/77/1131277677.db2.gz VJFJXWVETBNLKS-ZWKOTPCHSA-N 1 3 298.515 3.549 20 30 CHEDHO C#CCCCCCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877083034 1125006222 /nfs/dbraw/zinc/00/62/22/1125006222.db2.gz HHFJLZFPTPDTKR-UHFFFAOYSA-N 1 3 276.468 3.567 20 30 CHEDHO CCCCCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000744418869 1129576274 /nfs/dbraw/zinc/57/62/74/1129576274.db2.gz GHIVQDFFKOZWBQ-MRXNPFEDSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCC/C=C/CN1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394233 1130739427 /nfs/dbraw/zinc/73/94/27/1130739427.db2.gz CONCELJABRLPHV-IBHATUTGSA-N 1 3 296.474 3.912 20 30 CHEDHO CCCCCCC[NH2+][C@@H]1CCN[C@@H](CCCC)C1 ZINC001246227599 1131414509 /nfs/dbraw/zinc/41/45/09/1131414509.db2.gz DNZRKEKLTRYTFS-JKSUJKDBSA-N 1 3 254.462 3.857 20 30 CHEDHO CCCCCCCC[C@H](CC)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246461288 1131510185 /nfs/dbraw/zinc/51/01/85/1131510185.db2.gz OPNGVYDHLGSKNW-HRCADAONSA-N 1 3 254.462 3.985 20 30 CHEDHO CCCCCCC[C@H](CC)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246515130 1131543481 /nfs/dbraw/zinc/54/34/81/1131543481.db2.gz JUQUSCWLAAEMNN-IRXDYDNUSA-N 1 3 268.489 3.959 20 30 CHEDHO C=CC[N@@H+]([C@H]1CCN[C@H](CCCC)C1)C(C)(C)C ZINC001246921281 1131816996 /nfs/dbraw/zinc/81/69/96/1131816996.db2.gz PDNDSCIZNSZLRC-CABCVRRESA-N 1 3 252.446 3.584 20 30 CHEDHO C=CC[N@H+]([C@H]1CCN[C@H](CCCC)C1)C(C)(C)C ZINC001246921281 1131817006 /nfs/dbraw/zinc/81/70/06/1131817006.db2.gz PDNDSCIZNSZLRC-CABCVRRESA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCN([C@H]1CC[NH2+][C@H](CCCC)C1)C(C)(C)C ZINC001246921281 1131817013 /nfs/dbraw/zinc/81/70/13/1131817013.db2.gz PDNDSCIZNSZLRC-CABCVRRESA-N 1 3 252.446 3.584 20 30 CHEDHO CCCCCCC/C=C/CN1CCC[C@@H]([NH3+])CC1 ZINC001205094173 1133527454 /nfs/dbraw/zinc/52/74/54/1133527454.db2.gz JWOYVUJWOATDPV-ROJDOSBLSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCC[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209166343 1133984333 /nfs/dbraw/zinc/98/43/33/1133984333.db2.gz YXQZCSHBQPHUFO-UHFFFAOYSA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCCC[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209166343 1133984338 /nfs/dbraw/zinc/98/43/38/1133984338.db2.gz YXQZCSHBQPHUFO-UHFFFAOYSA-N 1 3 264.457 3.682 20 30 CHEDHO C=CCCN(CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001209448993 1134023412 /nfs/dbraw/zinc/02/34/12/1134023412.db2.gz OPQDTUQGHXMNGN-UHFFFAOYSA-N 1 3 286.463 3.941 20 30 CHEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2csc(C)c2)CC1 ZINC000297542401 260128713 /nfs/dbraw/zinc/12/87/13/260128713.db2.gz FCRJNGXGRQFPMX-AWEZNQCLSA-N 1 3 278.465 3.748 20 30 CHEDHO C=CCC[C@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935263 263139433 /nfs/dbraw/zinc/13/94/33/263139433.db2.gz FPQBUSGZSXGKML-KBXCAEBGSA-N 1 3 268.404 3.784 20 30 CHEDHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274209159 328209642 /nfs/dbraw/zinc/20/96/42/328209642.db2.gz MZQQKVCKEOXWPG-RBUKOAKNSA-N 1 3 299.462 3.700 20 30 CHEDHO C=CCCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000582431282 328987481 /nfs/dbraw/zinc/98/74/81/328987481.db2.gz YWDVCSOHGOHYHI-YESZJQIVSA-N 1 3 264.457 3.633 20 30 CHEDHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499421 330208084 /nfs/dbraw/zinc/20/80/84/330208084.db2.gz AWTPFUXXTIUFLF-HNAYVOBHSA-N 1 3 293.414 3.689 20 30 CHEDHO C=CC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449487352 330930217 /nfs/dbraw/zinc/93/02/17/330930217.db2.gz YHKFGXYEKLOQDP-DOTOQJQBSA-N 1 3 278.484 3.831 20 30 CHEDHO CCCCCCC/C=C/C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001208124422 1133881245 /nfs/dbraw/zinc/88/12/45/1133881245.db2.gz QRBYCTUQTMPEKA-BBVFFXRHSA-N 1 3 278.484 3.931 20 30 CHEDHO C=C(Cl)CN(C)[C@H]1CC[C@H]([N@H+](C)CC(=C)Cl)CC1 ZINC000886386791 1125676535 /nfs/dbraw/zinc/67/65/35/1125676535.db2.gz HFUMSBLSXNAMCQ-HDJSIYSDSA-N 1 3 291.266 3.666 20 30 CHEDHO C=C(Cl)CN(C)[C@H]1CC[C@H]([N@@H+](C)CC(=C)Cl)CC1 ZINC000886386791 1125676538 /nfs/dbraw/zinc/67/65/38/1125676538.db2.gz HFUMSBLSXNAMCQ-HDJSIYSDSA-N 1 3 291.266 3.666 20 30 CHEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000153027819 1126757786 /nfs/dbraw/zinc/75/77/86/1126757786.db2.gz FAZRSPOZIPUTRN-AWEZNQCLSA-N 1 3 276.399 3.517 20 30 CHEDHO C=CCCSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000594960244 1127440599 /nfs/dbraw/zinc/44/05/99/1127440599.db2.gz NUZSLAHJMTYAOR-UHFFFAOYSA-N 1 3 296.524 3.682 20 30 CHEDHO C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccco1 ZINC000296575195 1127676840 /nfs/dbraw/zinc/67/68/40/1127676840.db2.gz TXSBMHMOWLFYAA-UYTSQGDYSA-N 1 3 274.408 3.502 20 30 CHEDHO C=CCCCCCCC[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001206768097 1117828689 /nfs/dbraw/zinc/82/86/89/1117828689.db2.gz HBELMZCQYPIRHN-CVEARBPZSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001206768097 1117828685 /nfs/dbraw/zinc/82/86/85/1117828685.db2.gz HBELMZCQYPIRHN-CVEARBPZSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001209441841 1118060963 /nfs/dbraw/zinc/06/09/63/1118060963.db2.gz KWEBVIUCQNWKDK-ROUUACIJSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209441841 1118060967 /nfs/dbraw/zinc/06/09/67/1118060967.db2.gz KWEBVIUCQNWKDK-ROUUACIJSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167255915 1118123753 /nfs/dbraw/zinc/12/37/53/1118123753.db2.gz QBBQRBAKFGHODA-SFHVURJKSA-N 1 3 278.484 3.787 20 30 CHEDHO C=CCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000471584532 1118466896 /nfs/dbraw/zinc/46/68/96/1118466896.db2.gz HKJIZGRHUDLTHJ-SLFFLAALSA-N 1 3 298.474 3.843 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120156 1118498676 /nfs/dbraw/zinc/49/86/76/1118498676.db2.gz UVPAJZZHMGZNSX-PMPSAXMXSA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120156 1118498678 /nfs/dbraw/zinc/49/86/78/1118498678.db2.gz UVPAJZZHMGZNSX-PMPSAXMXSA-N 1 3 291.483 3.557 20 30 CHEDHO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000926120156 1118498680 /nfs/dbraw/zinc/49/86/80/1118498680.db2.gz UVPAJZZHMGZNSX-PMPSAXMXSA-N 1 3 291.483 3.557 20 30 CHEDHO C=C(C)C[NH+]1CCC(NCc2cc3c(cccc3C)[nH]2)CC1 ZINC000657352202 1119019842 /nfs/dbraw/zinc/01/98/42/1119019842.db2.gz FGOYXYGFVFWKTA-UHFFFAOYSA-N 1 3 297.446 3.606 20 30 CHEDHO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709853053 1121374561 /nfs/dbraw/zinc/37/45/61/1121374561.db2.gz ZZTXBBNDNVPRQW-IAGOWNOFSA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709853053 1121374568 /nfs/dbraw/zinc/37/45/68/1121374568.db2.gz ZZTXBBNDNVPRQW-IAGOWNOFSA-N 1 3 266.473 3.811 20 30 CHEDHO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512661420 1121517704 /nfs/dbraw/zinc/51/77/04/1121517704.db2.gz SCWCSYFAGCYADZ-IJXRJRJASA-N 1 3 298.474 3.841 20 30 CHEDHO C=CCC[C@@H](CC)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180811549 1122018124 /nfs/dbraw/zinc/01/81/24/1122018124.db2.gz SCRDUEHEKZXQLC-JKSUJKDBSA-N 1 3 252.446 3.585 20 30 CHEDHO C#C[C@@](C)(CC)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC001194504737 1122781061 /nfs/dbraw/zinc/78/10/61/1122781061.db2.gz DNBIIXFLQVQYGY-IBGZPJMESA-N 1 3 284.447 3.564 20 30 CHEDHO CCCCCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001201840149 1123155245 /nfs/dbraw/zinc/15/52/45/1123155245.db2.gz NKQDPATXZPOBLD-IAGOWNOFSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001201840149 1123155248 /nfs/dbraw/zinc/15/52/48/1123155248.db2.gz NKQDPATXZPOBLD-IAGOWNOFSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCCCCCC[C@H](O)CN[C@@H](C)C[NH3+] ZINC001245981830 1131264370 /nfs/dbraw/zinc/26/43/70/1131264370.db2.gz MXSOHUNRPGVILG-IRXDYDNUSA-N 1 3 286.504 3.595 20 30 CHEDHO C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000448028882 1124559051 /nfs/dbraw/zinc/55/90/51/1124559051.db2.gz PGNOJQXTAUKCKU-SLFFLAALSA-N 1 3 298.474 3.843 20 30 CHEDHO CCCCCCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000744423869 1129576911 /nfs/dbraw/zinc/57/69/11/1129576911.db2.gz PKTRBWKAVYSYQF-MRXNPFEDSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000744423869 1129576912 /nfs/dbraw/zinc/57/69/12/1129576912.db2.gz PKTRBWKAVYSYQF-MRXNPFEDSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000744423869 1129576915 /nfs/dbraw/zinc/57/69/15/1129576915.db2.gz PKTRBWKAVYSYQF-MRXNPFEDSA-N 1 3 254.462 3.621 20 30 CHEDHO CCCCCCCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000744423869 1129576918 /nfs/dbraw/zinc/57/69/18/1129576918.db2.gz PKTRBWKAVYSYQF-MRXNPFEDSA-N 1 3 254.462 3.621 20 30 CHEDHO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000651731209 1129746415 /nfs/dbraw/zinc/74/64/15/1129746415.db2.gz IWUHKYZYJHJCOG-DOTOQJQBSA-N 1 3 276.468 3.728 20 30 CHEDHO C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235399384 1130738348 /nfs/dbraw/zinc/73/83/48/1130738348.db2.gz AWHNOLLCHACELK-ROUUACIJSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235399384 1130738353 /nfs/dbraw/zinc/73/83/53/1130738353.db2.gz AWHNOLLCHACELK-ROUUACIJSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399384 1130738358 /nfs/dbraw/zinc/73/83/58/1130738358.db2.gz AWHNOLLCHACELK-ROUUACIJSA-N 1 3 296.474 3.927 20 30 CHEDHO C=CCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235411054 1130741013 /nfs/dbraw/zinc/74/10/13/1130741013.db2.gz ZWPCIJXUUUXUTP-DLBZAZTESA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235411054 1130741019 /nfs/dbraw/zinc/74/10/19/1130741019.db2.gz ZWPCIJXUUUXUTP-DLBZAZTESA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235411054 1130741022 /nfs/dbraw/zinc/74/10/22/1130741022.db2.gz ZWPCIJXUUUXUTP-DLBZAZTESA-N 1 3 282.447 3.537 20 30 CHEDHO C=CCCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372580 1130922166 /nfs/dbraw/zinc/92/21/66/1130922166.db2.gz QFNQJAMYZJBNDR-MRXNPFEDSA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372580 1130922169 /nfs/dbraw/zinc/92/21/69/1130922169.db2.gz QFNQJAMYZJBNDR-MRXNPFEDSA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCCCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584514 1130981033 /nfs/dbraw/zinc/98/10/33/1130981033.db2.gz GIYDLZYHPAYISO-INIZCTEOSA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCCCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584514 1130981036 /nfs/dbraw/zinc/98/10/36/1130981036.db2.gz GIYDLZYHPAYISO-INIZCTEOSA-N 1 3 264.457 3.587 20 30 CHEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000817985325 1131194651 /nfs/dbraw/zinc/19/46/51/1131194651.db2.gz IYTISYMRUIAFJR-HOTGVXAUSA-N 1 3 264.457 3.776 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246560217 1131622310 /nfs/dbraw/zinc/62/23/10/1131622310.db2.gz BQFMPHLGKQSIDP-XHSDSOJGSA-N 1 3 254.462 3.795 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246560217 1131622311 /nfs/dbraw/zinc/62/23/11/1131622311.db2.gz BQFMPHLGKQSIDP-XHSDSOJGSA-N 1 3 254.462 3.795 20 30 CHEDHO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246624715 1131722197 /nfs/dbraw/zinc/72/21/97/1131722197.db2.gz RPJNHZYHHBBUMJ-SJORKVTESA-N 1 3 266.473 3.953 20 30 CHEDHO CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246624715 1131722200 /nfs/dbraw/zinc/72/22/00/1131722200.db2.gz RPJNHZYHHBBUMJ-SJORKVTESA-N 1 3 266.473 3.953 20 30 CHEDHO CCCCCCCC[C@@H](CC)[N@@H+]1CCC2(CNC2)C1 ZINC001246629606 1131735293 /nfs/dbraw/zinc/73/52/93/1131735293.db2.gz GPAVWMKBXXCXPG-MRXNPFEDSA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCCC[C@@H](CC)[N@H+]1CCC2(CNC2)C1 ZINC001246629606 1131735298 /nfs/dbraw/zinc/73/52/98/1131735298.db2.gz GPAVWMKBXXCXPG-MRXNPFEDSA-N 1 3 266.473 3.811 20 30 CHEDHO CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@H](CN)C1 ZINC001246794837 1131784407 /nfs/dbraw/zinc/78/44/07/1131784407.db2.gz HDLNOJKQZCWGMK-HZPDHXFCSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](CN)C1 ZINC001246794837 1131784414 /nfs/dbraw/zinc/78/44/14/1131784414.db2.gz HDLNOJKQZCWGMK-HZPDHXFCSA-N 1 3 254.462 3.796 20 30 CHEDHO C=CC[N@@H+]([C@@H]1CCN[C@@H](CCCC)C1)C(C)(C)C ZINC001246921284 1131817767 /nfs/dbraw/zinc/81/77/67/1131817767.db2.gz PDNDSCIZNSZLRC-LSDHHAIUSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CC[N@H+]([C@@H]1CCN[C@@H](CCCC)C1)C(C)(C)C ZINC001246921284 1131817775 /nfs/dbraw/zinc/81/77/75/1131817775.db2.gz PDNDSCIZNSZLRC-LSDHHAIUSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCN([C@@H]1CC[NH2+][C@@H](CCCC)C1)C(C)(C)C ZINC001246921284 1131817782 /nfs/dbraw/zinc/81/77/82/1131817782.db2.gz PDNDSCIZNSZLRC-LSDHHAIUSA-N 1 3 252.446 3.584 20 30 CHEDHO C#CC(C)(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062249 1132125805 /nfs/dbraw/zinc/12/58/05/1132125805.db2.gz LGXCDMSVEFKLQH-REPLKXPHSA-N 1 3 296.458 3.574 20 30 CHEDHO C#CC(C)(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062249 1132125809 /nfs/dbraw/zinc/12/58/09/1132125809.db2.gz LGXCDMSVEFKLQH-REPLKXPHSA-N 1 3 296.458 3.574 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CC[C@](C)(N)C1 ZINC001204763390 1133482217 /nfs/dbraw/zinc/48/22/17/1133482217.db2.gz IMSVYLRLJCMUNT-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CC[C@](C)(N)C1 ZINC001204763390 1133482220 /nfs/dbraw/zinc/48/22/20/1133482220.db2.gz IMSVYLRLJCMUNT-INIZCTEOSA-N 1 3 252.446 3.716 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001205904516 1133628670 /nfs/dbraw/zinc/62/86/70/1133628670.db2.gz VRYXSPWPPPXQDA-HZPDHXFCSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCCCC[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001205904516 1133628671 /nfs/dbraw/zinc/62/86/71/1133628671.db2.gz VRYXSPWPPPXQDA-HZPDHXFCSA-N 1 3 254.462 3.796 20 30 CHEDHO CCCCCCC/C=C/C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001208124422 1133881242 /nfs/dbraw/zinc/88/12/42/1133881242.db2.gz QRBYCTUQTMPEKA-BBVFFXRHSA-N 1 3 278.484 3.931 20 30 CHEDHO CCCCCCCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596645 1135253874 /nfs/dbraw/zinc/25/38/74/1135253874.db2.gz ZIDOCOKSWIBABD-SFHVURJKSA-N 1 3 286.463 3.646 20 30 CHEDHO C=C(CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423034599 330166507 /nfs/dbraw/zinc/16/65/07/330166507.db2.gz XPHHVPXLXZHIQG-WOJBJXKFSA-N 1 3 292.426 3.783 20 30 CHEDHO C=CCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCCC1 ZINC000449601867 330938931 /nfs/dbraw/zinc/93/89/31/330938931.db2.gz BDDHQXRFASJVSS-UHFFFAOYSA-N 1 3 278.484 3.975 20 30 CHEDHO C=CCCCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000471610788 331513204 /nfs/dbraw/zinc/51/32/04/331513204.db2.gz NVBBXDIKSFUDLD-WMZOPIPTSA-N 1 3 278.484 3.975 20 30 CHEDHO C=CCCCC[C@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000568979435 334849252 /nfs/dbraw/zinc/84/92/52/334849252.db2.gz MPGJFACGZWIZQH-INIZCTEOSA-N 1 3 274.452 3.973 20 30 CHEDHO C=CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000573235143 334920042 /nfs/dbraw/zinc/92/00/42/334920042.db2.gz MAYBCYNEWZTZDA-IKGGRYGDSA-N 1 3 258.409 3.553 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@@H](CF)[C@H](C2(N)CC2)C1 ZINC001246692380 1131782390 /nfs/dbraw/zinc/78/23/90/1131782390.db2.gz NSDPTDGJNRWNFS-ARFHVFGLSA-N 1 3 284.463 3.744 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C2(N)CC2)C1 ZINC001246692380 1131782394 /nfs/dbraw/zinc/78/23/94/1131782394.db2.gz NSDPTDGJNRWNFS-ARFHVFGLSA-N 1 3 284.463 3.744 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC001236604842 1130983178 /nfs/dbraw/zinc/98/31/78/1130983178.db2.gz PQFYVNKEGKBYES-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000471584529 1118466852 /nfs/dbraw/zinc/46/68/52/1118466852.db2.gz HKJIZGRHUDLTHJ-HSALFYBXSA-N 1 3 298.474 3.843 20 30 CHEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000091582766 1119300533 /nfs/dbraw/zinc/30/05/33/1119300533.db2.gz PUXDXDSRCAILPO-IAGOWNOFSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000091582766 1119300535 /nfs/dbraw/zinc/30/05/35/1119300535.db2.gz PUXDXDSRCAILPO-IAGOWNOFSA-N 1 3 264.457 3.539 20 30 CHEDHO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000543462081 1120528245 /nfs/dbraw/zinc/52/82/45/1120528245.db2.gz WJHPDZCPBQNOAT-YESZJQIVSA-N 1 3 278.484 3.974 20 30 CHEDHO CCCCCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000759975064 1121180320 /nfs/dbraw/zinc/18/03/20/1121180320.db2.gz FZEHSQCCBZFIBH-INIZCTEOSA-N 1 3 254.462 3.763 20 30 CHEDHO CCCCCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000759975064 1121180322 /nfs/dbraw/zinc/18/03/22/1121180322.db2.gz FZEHSQCCBZFIBH-INIZCTEOSA-N 1 3 254.462 3.763 20 30 CHEDHO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512661421 1121517084 /nfs/dbraw/zinc/51/70/84/1121517084.db2.gz SCWCSYFAGCYADZ-MTFMMBMASA-N 1 3 298.474 3.841 20 30 CHEDHO C=CCCCCCCC[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001205904749 1123069568 /nfs/dbraw/zinc/06/95/68/1123069568.db2.gz XELFPXIVIQARCN-HZPDHXFCSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCCCCCC[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001205904749 1123069570 /nfs/dbraw/zinc/06/95/70/1123069570.db2.gz XELFPXIVIQARCN-HZPDHXFCSA-N 1 3 252.446 3.572 20 30 CHEDHO C=CCCC(CO)[NH2+]C(C)c1ccc(SC)c(F)c1 ZINC000449697061 1124842074 /nfs/dbraw/zinc/84/20/74/1124842074.db2.gz JVTBBRRPUSJSCG-WCQYABFASA-N 1 3 283.412 3.525 20 30 CHEDHO C=C(CC)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449736820 1124855683 /nfs/dbraw/zinc/85/56/83/1124855683.db2.gz WMYHLDOPUNDLGC-QGZVFWFLSA-N 1 3 286.463 3.638 20 30 CHEDHO CCCCCCC[C@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246113980 1131335353 /nfs/dbraw/zinc/33/53/53/1131335353.db2.gz OSCJVLRTCFUYKV-JKSUJKDBSA-N 1 3 272.452 3.807 20 30 CHEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(CC)CC)CC1 ZINC001258720985 1129549562 /nfs/dbraw/zinc/54/95/62/1129549562.db2.gz KJVWKQLBNUROMV-AWEZNQCLSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(CC)CC)CC1 ZINC001258720986 1129549613 /nfs/dbraw/zinc/54/96/13/1129549613.db2.gz KJVWKQLBNUROMV-CQSZACIVSA-N 1 3 252.446 3.584 20 30 CHEDHO C=CCCN(CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235702505 1130772102 /nfs/dbraw/zinc/77/21/02/1130772102.db2.gz KZBKJGFOBNEPFS-GOSISDBHSA-N 1 3 272.436 3.597 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CC[C@](C)(CN)C1 ZINC001236604842 1130983176 /nfs/dbraw/zinc/98/31/76/1130983176.db2.gz PQFYVNKEGKBYES-QGZVFWFLSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCC[C@@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000341931396 263368783 /nfs/dbraw/zinc/36/87/83/263368783.db2.gz OPKKNOCOXIZXHB-GOSISDBHSA-N 1 3 272.436 3.769 20 30 CHEDHO C=CCC[C@@H]([NH2+]CCCN1CCCC1)c1ccccc1 ZINC000341931396 263368784 /nfs/dbraw/zinc/36/87/84/263368784.db2.gz OPKKNOCOXIZXHB-GOSISDBHSA-N 1 3 272.436 3.769 20 30 CHEDHO C=CCC[C@H](NCC1CC[NH+](CCC)CC1)c1ccco1 ZINC000561314156 327385030 /nfs/dbraw/zinc/38/50/30/327385030.db2.gz DQVMGCZGRVXXTF-KRWDZBQOSA-N 1 3 290.451 3.999 20 30 CHEDHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293896 330187910 /nfs/dbraw/zinc/18/79/10/330187910.db2.gz SKPSORVAUJUXRL-IFXJQAMLSA-N 1 3 293.414 3.819 20 30 CHEDHO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000467405615 331417863 /nfs/dbraw/zinc/41/78/63/331417863.db2.gz QRBXCERMPZTZCL-DOTOQJQBSA-N 1 3 290.451 3.632 20 30 CHEDHO C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000193549338 333252930 /nfs/dbraw/zinc/25/29/30/333252930.db2.gz QZZHWEWDMIJGNB-DLBZAZTESA-N 1 3 278.484 3.975 20 30 CHEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000449130233 1124652818 /nfs/dbraw/zinc/65/28/18/1124652818.db2.gz GBMHKXKPDSUAAJ-IRXDYDNUSA-N 1 3 266.473 3.831 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001246560192 1131621999 /nfs/dbraw/zinc/62/19/99/1131621999.db2.gz BQFMPHLGKQSIDP-ARFHVFGLSA-N 1 3 254.462 3.795 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001246560192 1131622001 /nfs/dbraw/zinc/62/20/01/1131622001.db2.gz BQFMPHLGKQSIDP-ARFHVFGLSA-N 1 3 254.462 3.795 20 30 CHEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246694455 1131780927 /nfs/dbraw/zinc/78/09/27/1131780927.db2.gz RIXYBKSWYIPOAU-YESZJQIVSA-N 1 3 284.463 3.759 20 30 CHEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246694455 1131780934 /nfs/dbraw/zinc/78/09/34/1131780934.db2.gz RIXYBKSWYIPOAU-YESZJQIVSA-N 1 3 284.463 3.759 20 30 CHEDHO C=CCCCCCC[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001206581020 1133722557 /nfs/dbraw/zinc/72/25/57/1133722557.db2.gz HGTDRWHMZYJIBM-QGZVFWFLSA-N 1 3 266.473 3.975 20 30 CHEDHO C=CCCCCCC[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001206581020 1133722561 /nfs/dbraw/zinc/72/25/61/1133722561.db2.gz HGTDRWHMZYJIBM-QGZVFWFLSA-N 1 3 266.473 3.975 20 30 CHEDHO C[C@@H](NCC#CC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000671242858 1117782596 /nfs/dbraw/zinc/78/25/96/1117782596.db2.gz ONBVDQVKSDBTHS-HDICACEKSA-N 1 3 292.426 3.691 20 30 CHEDHO C[C@@H]([NH2+]CC#CCN[C@@H](C)c1ccccc1)c1ccccc1 ZINC000671242858 1117782598 /nfs/dbraw/zinc/78/25/98/1117782598.db2.gz ONBVDQVKSDBTHS-HDICACEKSA-N 1 3 292.426 3.691 20 30 CHEDHO C=CCC[C@H](CC)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180811547 1122018567 /nfs/dbraw/zinc/01/85/67/1122018567.db2.gz SCRDUEHEKZXQLC-HOTGVXAUSA-N 1 3 252.446 3.585 20 30 CHEDHO C=CC[C@H](CC)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000467405836 1122898861 /nfs/dbraw/zinc/89/88/61/1122898861.db2.gz HSMOWZDOIWGUEZ-XYJFISCASA-N 1 3 278.484 3.974 20 30 CHEDHO CCCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201839730 1123154919 /nfs/dbraw/zinc/15/49/19/1123154919.db2.gz INKFJZBFKGPLRP-CVEARBPZSA-N 1 3 252.446 3.515 20 30 CHEDHO CCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201839730 1123154922 /nfs/dbraw/zinc/15/49/22/1123154922.db2.gz INKFJZBFKGPLRP-CVEARBPZSA-N 1 3 252.446 3.515 20 30 CHEDHO C=C(C)CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011313 1123270668 /nfs/dbraw/zinc/27/06/68/1123270668.db2.gz NOHWOBJWQJTSPI-ALXJQNPVSA-N 1 3 272.436 3.594 20 30 CHEDHO C=C(C)CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011313 1123270672 /nfs/dbraw/zinc/27/06/72/1123270672.db2.gz NOHWOBJWQJTSPI-ALXJQNPVSA-N 1 3 272.436 3.594 20 30 CHEDHO CCCCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746670441 1129978933 /nfs/dbraw/zinc/97/89/33/1129978933.db2.gz ZYIYGKJXBHXKMW-QGZVFWFLSA-N 1 3 266.473 3.621 20 30 CHEDHO CCCCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000746670441 1129978935 /nfs/dbraw/zinc/97/89/35/1129978935.db2.gz ZYIYGKJXBHXKMW-QGZVFWFLSA-N 1 3 266.473 3.621 20 30 CHEDHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccc(C#N)c1 ZINC000902792801 1130058865 /nfs/dbraw/zinc/05/88/65/1130058865.db2.gz DKIKGEQTLBJICX-PKOBYXMFSA-N 1 3 299.462 3.719 20 30 CHEDHO C=CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365723 1130737189 /nfs/dbraw/zinc/73/71/89/1130737189.db2.gz PCTLJKYBYUYGKT-VQTJNVASSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365723 1130737194 /nfs/dbraw/zinc/73/71/94/1130737194.db2.gz PCTLJKYBYUYGKT-VQTJNVASSA-N 1 3 298.474 3.596 20 30 CHEDHO C=CCCCCCCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC001235673542 1130764206 /nfs/dbraw/zinc/76/42/06/1130764206.db2.gz NLPMZRHBDUUDAA-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC001235673542 1130764212 /nfs/dbraw/zinc/76/42/12/1130764212.db2.gz NLPMZRHBDUUDAA-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO C=CCCCCCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC001235673542 1130764219 /nfs/dbraw/zinc/76/42/19/1130764219.db2.gz NLPMZRHBDUUDAA-KRWDZBQOSA-N 1 3 266.473 3.964 20 30 CHEDHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590258 1132496661 /nfs/dbraw/zinc/49/66/61/1132496661.db2.gz BEFYFPNCUYUOAE-IVMQYODDSA-N 1 3 299.462 3.556 20 30 CHEDHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590258 1132496664 /nfs/dbraw/zinc/49/66/64/1132496664.db2.gz BEFYFPNCUYUOAE-IVMQYODDSA-N 1 3 299.462 3.556 20 30 CHEDHO CCCCCCCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC000311194380 1135128443 /nfs/dbraw/zinc/12/84/43/1135128443.db2.gz FQPOVBNMAVBSHI-MRXNPFEDSA-N 1 3 254.462 3.798 20 30 CHEDHO CCCCCCCCC[N@H+]1CCCC[C@H](CN)C1 ZINC000311194380 1135128444 /nfs/dbraw/zinc/12/84/44/1135128444.db2.gz FQPOVBNMAVBSHI-MRXNPFEDSA-N 1 3 254.462 3.798 20 30 CHEDHO C=CCC[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948611 263367850 /nfs/dbraw/zinc/36/78/50/263367850.db2.gz VDDVTIFANFZAED-ROUUACIJSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000341948611 263367851 /nfs/dbraw/zinc/36/78/51/263367851.db2.gz VDDVTIFANFZAED-ROUUACIJSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000341948611 263367852 /nfs/dbraw/zinc/36/78/52/263367852.db2.gz VDDVTIFANFZAED-ROUUACIJSA-N 1 3 272.436 3.768 20 30 CHEDHO C=CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423000569 330163776 /nfs/dbraw/zinc/16/37/76/330163776.db2.gz VOJSTJWFWVSABW-UJJTZGENSA-N 1 3 270.420 3.567 20 30 CHEDHO C=CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000193549354 333252956 /nfs/dbraw/zinc/25/29/56/333252956.db2.gz QZZHWEWDMIJGNB-IAGOWNOFSA-N 1 3 278.484 3.975 20 30 CHEDHO