smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCC(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797271 482906552 /nfs/dbraw/zinc/90/65/52/482906552.db2.gz LEUDMEFHCFNQTD-UHFFFAOYSA-N 1 3 353.467 -1.087 20 0 FAADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1=O ZINC000262553905 482918569 /nfs/dbraw/zinc/91/85/69/482918569.db2.gz VBBILYVKPVXTQB-KBPBESRZSA-N 1 3 353.467 -1.290 20 0 FAADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1=O ZINC000262553906 482919172 /nfs/dbraw/zinc/91/91/72/482919172.db2.gz VBBILYVKPVXTQB-KGLIPLIRSA-N 1 3 353.467 -1.290 20 0 FAADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1=O ZINC000262553907 483546104 /nfs/dbraw/zinc/54/61/04/483546104.db2.gz VBBILYVKPVXTQB-UONOGXRCSA-N 1 3 353.467 -1.290 20 0 FAADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1=O ZINC000262553908 482918482 /nfs/dbraw/zinc/91/84/82/482918482.db2.gz VBBILYVKPVXTQB-ZIAGYGMSSA-N 1 3 353.467 -1.290 20 0 FAADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000263078603 483310722 /nfs/dbraw/zinc/31/07/22/483310722.db2.gz CVEBPYZOLJNSPG-INIZCTEOSA-N 1 3 353.467 -1.148 20 0 FAADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000263255793 483589756 /nfs/dbraw/zinc/58/97/56/483589756.db2.gz QQERIRZNVHGVDT-HNNXBMFYSA-N 1 3 367.454 -1.401 20 0 FAADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331569751 272832611 /nfs/dbraw/zinc/83/26/11/272832611.db2.gz DDWDEJGTVBVGRT-CQSZACIVSA-N 1 3 351.451 -1.297 20 0 FAADHO CCN1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604205 483165998 /nfs/dbraw/zinc/16/59/98/483165998.db2.gz DSCPRWAVQPMYNK-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604205 483165992 /nfs/dbraw/zinc/16/59/92/483165992.db2.gz DSCPRWAVQPMYNK-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604208 483165122 /nfs/dbraw/zinc/16/51/22/483165122.db2.gz DSCPRWAVQPMYNK-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604208 483165115 /nfs/dbraw/zinc/16/51/15/483165115.db2.gz DSCPRWAVQPMYNK-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604212 483166261 /nfs/dbraw/zinc/16/62/61/483166261.db2.gz DSCPRWAVQPMYNK-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604212 483166255 /nfs/dbraw/zinc/16/62/55/483166255.db2.gz DSCPRWAVQPMYNK-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000331604216 483165666 /nfs/dbraw/zinc/16/56/66/483165666.db2.gz DSCPRWAVQPMYNK-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO CCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000331604216 483165660 /nfs/dbraw/zinc/16/56/60/483165660.db2.gz DSCPRWAVQPMYNK-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331605777 483164922 /nfs/dbraw/zinc/16/49/22/483164922.db2.gz VURJZHCBPNMLQP-IHRRRGAJSA-N 1 3 367.450 -2.458 20 0 FAADHO CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331605791 483165016 /nfs/dbraw/zinc/16/50/16/483165016.db2.gz VURJZHCBPNMLQP-RDBSUJKOSA-N 1 3 367.450 -2.458 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331607014 483165220 /nfs/dbraw/zinc/16/52/20/483165220.db2.gz FCTSIARHYHNQJT-QLFBSQMISA-N 1 3 365.478 -1.005 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331607032 483165247 /nfs/dbraw/zinc/16/52/47/483165247.db2.gz FCTSIARHYHNQJT-RBSFLKMASA-N 1 3 365.478 -1.005 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331607045 483164980 /nfs/dbraw/zinc/16/49/80/483164980.db2.gz FCTSIARHYHNQJT-RRFJBIMHSA-N 1 3 365.478 -1.005 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331607056 483166181 /nfs/dbraw/zinc/16/61/81/483166181.db2.gz FCTSIARHYHNQJT-SOUVJXGZSA-N 1 3 365.478 -1.005 20 0 FAADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331628032 483168137 /nfs/dbraw/zinc/16/81/37/483168137.db2.gz NASWLQWCDSUTBB-HNNXBMFYSA-N 1 3 365.478 -1.037 20 0 FAADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000331628034 483168160 /nfs/dbraw/zinc/16/81/60/483168160.db2.gz NASWLQWCDSUTBB-OAHLLOKOSA-N 1 3 365.478 -1.037 20 0 FAADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000331645909 483166998 /nfs/dbraw/zinc/16/69/98/483166998.db2.gz QIVMGPDBUMAPNJ-AWEZNQCLSA-N 1 3 367.450 -2.061 20 0 FAADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000331645919 483167799 /nfs/dbraw/zinc/16/77/99/483167799.db2.gz QIVMGPDBUMAPNJ-CQSZACIVSA-N 1 3 367.450 -2.061 20 0 FAADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331802927 483170686 /nfs/dbraw/zinc/17/06/86/483170686.db2.gz CCIKACMOVZXXIM-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331802931 483170272 /nfs/dbraw/zinc/17/02/72/483170272.db2.gz CCIKACMOVZXXIM-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331802935 483169209 /nfs/dbraw/zinc/16/92/09/483169209.db2.gz CCIKACMOVZXXIM-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331802938 483170244 /nfs/dbraw/zinc/17/02/44/483170244.db2.gz CCIKACMOVZXXIM-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@@H]1[NH3+] ZINC000331822383 483170732 /nfs/dbraw/zinc/17/07/32/483170732.db2.gz HSRPNXJIOBBXJZ-HZSPNIEDSA-N 1 3 351.451 -1.443 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@H]1[NH3+] ZINC000331822386 483169641 /nfs/dbraw/zinc/16/96/41/483169641.db2.gz HSRPNXJIOBBXJZ-MCIONIFRSA-N 1 3 351.451 -1.443 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H]1[NH3+] ZINC000331822389 483170468 /nfs/dbraw/zinc/17/04/68/483170468.db2.gz HSRPNXJIOBBXJZ-MGPQQGTHSA-N 1 3 351.451 -1.443 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H]1[NH3+] ZINC000331822393 483170997 /nfs/dbraw/zinc/17/09/97/483170997.db2.gz HSRPNXJIOBBXJZ-RDBSUJKOSA-N 1 3 351.451 -1.443 20 0 FAADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000331859704 483172012 /nfs/dbraw/zinc/17/20/12/483172012.db2.gz QGTWGYQBSUKCFP-KBPBESRZSA-N 1 3 351.451 -1.428 20 0 FAADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000331859706 483172698 /nfs/dbraw/zinc/17/26/98/483172698.db2.gz QGTWGYQBSUKCFP-KGLIPLIRSA-N 1 3 351.451 -1.428 20 0 FAADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000331859708 483171951 /nfs/dbraw/zinc/17/19/51/483171951.db2.gz QGTWGYQBSUKCFP-UONOGXRCSA-N 1 3 351.451 -1.428 20 0 FAADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000331859710 483171661 /nfs/dbraw/zinc/17/16/61/483171661.db2.gz QGTWGYQBSUKCFP-ZIAGYGMSSA-N 1 3 351.451 -1.428 20 0 FAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331861149 483171523 /nfs/dbraw/zinc/17/15/23/483171523.db2.gz ITWXWIPVOUPWKM-ILXRZTDVSA-N 1 3 365.478 -1.134 20 0 FAADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331861150 483172528 /nfs/dbraw/zinc/17/25/28/483172528.db2.gz ITWXWIPVOUPWKM-KFWWJZLASA-N 1 3 365.478 -1.134 20 0 FAADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331861151 483171931 /nfs/dbraw/zinc/17/19/31/483171931.db2.gz ITWXWIPVOUPWKM-QLFBSQMISA-N 1 3 365.478 -1.134 20 0 FAADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331861152 483172307 /nfs/dbraw/zinc/17/23/07/483172307.db2.gz ITWXWIPVOUPWKM-RBSFLKMASA-N 1 3 365.478 -1.134 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000331887799 483171888 /nfs/dbraw/zinc/17/18/88/483171888.db2.gz NOJYVAFTQGCSNI-KBPBESRZSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000331887802 483171993 /nfs/dbraw/zinc/17/19/93/483171993.db2.gz NOJYVAFTQGCSNI-KGLIPLIRSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000331887804 483172675 /nfs/dbraw/zinc/17/26/75/483172675.db2.gz NOJYVAFTQGCSNI-UONOGXRCSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000331887816 483172055 /nfs/dbraw/zinc/17/20/55/483172055.db2.gz NOJYVAFTQGCSNI-ZIAGYGMSSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000331888884 483171613 /nfs/dbraw/zinc/17/16/13/483171613.db2.gz IOWLJQHQOMAMQM-CABCVRRESA-N 1 3 365.478 -1.086 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000331888888 483172633 /nfs/dbraw/zinc/17/26/33/483172633.db2.gz IOWLJQHQOMAMQM-GJZGRUSLSA-N 1 3 365.478 -1.086 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000331888893 483172155 /nfs/dbraw/zinc/17/21/55/483172155.db2.gz IOWLJQHQOMAMQM-HUUCEWRRSA-N 1 3 365.478 -1.086 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000331888899 483172776 /nfs/dbraw/zinc/17/27/76/483172776.db2.gz IOWLJQHQOMAMQM-LSDHHAIUSA-N 1 3 365.478 -1.086 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000331901379 483172228 /nfs/dbraw/zinc/17/22/28/483172228.db2.gz PVYYOLPRJGEBLF-HNNXBMFYSA-N 1 3 365.478 -1.038 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000331901388 483171833 /nfs/dbraw/zinc/17/18/33/483171833.db2.gz PVYYOLPRJGEBLF-OAHLLOKOSA-N 1 3 365.478 -1.038 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000331931019 483172472 /nfs/dbraw/zinc/17/24/72/483172472.db2.gz MYFRJSOEJFQISH-KBPBESRZSA-N 1 3 351.451 -1.299 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000331931024 483172558 /nfs/dbraw/zinc/17/25/58/483172558.db2.gz MYFRJSOEJFQISH-KGLIPLIRSA-N 1 3 351.451 -1.299 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000331931029 483172733 /nfs/dbraw/zinc/17/27/33/483172733.db2.gz MYFRJSOEJFQISH-UONOGXRCSA-N 1 3 351.451 -1.299 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000331931034 483172756 /nfs/dbraw/zinc/17/27/56/483172756.db2.gz MYFRJSOEJFQISH-ZIAGYGMSSA-N 1 3 351.451 -1.299 20 0 FAADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000332439417 483177063 /nfs/dbraw/zinc/17/70/63/483177063.db2.gz AMWYLNOLAYGMAK-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000332439441 483177464 /nfs/dbraw/zinc/17/74/64/483177464.db2.gz AMWYLNOLAYGMAK-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000332439446 483177531 /nfs/dbraw/zinc/17/75/31/483177531.db2.gz AMWYLNOLAYGMAK-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000332439450 483178047 /nfs/dbraw/zinc/17/80/47/483178047.db2.gz AMWYLNOLAYGMAK-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332490327 483177987 /nfs/dbraw/zinc/17/79/87/483177987.db2.gz UVAAJCVDIKPENS-KGLIPLIRSA-N 1 3 351.451 -1.299 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332490334 483176562 /nfs/dbraw/zinc/17/65/62/483176562.db2.gz UVAAJCVDIKPENS-ZIAGYGMSSA-N 1 3 351.451 -1.299 20 0 FAADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000332633779 483179230 /nfs/dbraw/zinc/17/92/30/483179230.db2.gz QEJZGMJWUPITOW-ILXRZTDVSA-N 1 3 365.478 -1.005 20 0 FAADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000332633780 483180177 /nfs/dbraw/zinc/18/01/77/483180177.db2.gz QEJZGMJWUPITOW-KFWWJZLASA-N 1 3 365.478 -1.005 20 0 FAADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000332633781 483180047 /nfs/dbraw/zinc/18/00/47/483180047.db2.gz QEJZGMJWUPITOW-QLFBSQMISA-N 1 3 365.478 -1.005 20 0 FAADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000332633782 483179622 /nfs/dbraw/zinc/17/96/22/483179622.db2.gz QEJZGMJWUPITOW-RBSFLKMASA-N 1 3 365.478 -1.005 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333633650 483185368 /nfs/dbraw/zinc/18/53/68/483185368.db2.gz HBLYLGLCYZPABO-HNNXBMFYSA-N 1 3 352.483 -1.160 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000333633652 483185570 /nfs/dbraw/zinc/18/55/70/483185570.db2.gz HBLYLGLCYZPABO-OAHLLOKOSA-N 1 3 352.483 -1.160 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000376184317 657893056 /nfs/dbraw/zinc/89/30/56/657893056.db2.gz AKIVJSLUOWERAW-CHWSQXEVSA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000376184317 657893050 /nfs/dbraw/zinc/89/30/50/657893050.db2.gz AKIVJSLUOWERAW-CHWSQXEVSA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000376184318 657572300 /nfs/dbraw/zinc/57/23/00/657572300.db2.gz AKIVJSLUOWERAW-OLZOCXBDSA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000376184318 657572295 /nfs/dbraw/zinc/57/22/95/657572295.db2.gz AKIVJSLUOWERAW-OLZOCXBDSA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000376184319 657572211 /nfs/dbraw/zinc/57/22/11/657572211.db2.gz AKIVJSLUOWERAW-QWHCGFSZSA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000376184319 657572203 /nfs/dbraw/zinc/57/22/03/657572203.db2.gz AKIVJSLUOWERAW-QWHCGFSZSA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000376184320 657572322 /nfs/dbraw/zinc/57/23/22/657572322.db2.gz AKIVJSLUOWERAW-STQMWFEESA-N 1 3 351.455 -1.363 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000376184320 657572317 /nfs/dbraw/zinc/57/23/17/657572317.db2.gz AKIVJSLUOWERAW-STQMWFEESA-N 1 3 351.455 -1.363 20 0 FAADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000419220086 483290253 /nfs/dbraw/zinc/29/02/53/483290253.db2.gz BCCDEKQKTREZTK-CYBMUJFWSA-N 1 3 353.467 -1.100 20 0 FAADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000419220088 483290840 /nfs/dbraw/zinc/29/08/40/483290840.db2.gz BCCDEKQKTREZTK-ZDUSSCGKSA-N 1 3 353.467 -1.100 20 0 FAADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000419530027 483292486 /nfs/dbraw/zinc/29/24/86/483292486.db2.gz YSZXICHVGFOCKD-CYBMUJFWSA-N 1 3 353.467 -1.100 20 0 FAADHO CCN(CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000419530028 272854813 /nfs/dbraw/zinc/85/48/13/272854813.db2.gz YSZXICHVGFOCKD-ZDUSSCGKSA-N 1 3 353.467 -1.100 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000419592076 272855157 /nfs/dbraw/zinc/85/51/57/272855157.db2.gz RQLGVEFUXAMAJJ-CHWSQXEVSA-N 1 3 353.467 -1.101 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000419592077 483293485 /nfs/dbraw/zinc/29/34/85/483293485.db2.gz RQLGVEFUXAMAJJ-OLZOCXBDSA-N 1 3 353.467 -1.101 20 0 FAADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000419592078 483293465 /nfs/dbraw/zinc/29/34/65/483293465.db2.gz RQLGVEFUXAMAJJ-QWHCGFSZSA-N 1 3 353.467 -1.101 20 0 FAADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(C)C1CC1 ZINC000419592079 483293197 /nfs/dbraw/zinc/29/31/97/483293197.db2.gz RQLGVEFUXAMAJJ-STQMWFEESA-N 1 3 353.467 -1.101 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419843959 483294768 /nfs/dbraw/zinc/29/47/68/483294768.db2.gz NMIJCTMLLQQCNX-AWEZNQCLSA-N 1 3 353.467 -1.133 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419843960 272855116 /nfs/dbraw/zinc/85/51/16/272855116.db2.gz NMIJCTMLLQQCNX-CQSZACIVSA-N 1 3 353.467 -1.133 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419852976 483295528 /nfs/dbraw/zinc/29/55/28/483295528.db2.gz AHMOBQLOCMQEQK-KBPBESRZSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419852977 483295970 /nfs/dbraw/zinc/29/59/70/483295970.db2.gz AHMOBQLOCMQEQK-KGLIPLIRSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419852978 483295835 /nfs/dbraw/zinc/29/58/35/483295835.db2.gz AHMOBQLOCMQEQK-UONOGXRCSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419852979 483295614 /nfs/dbraw/zinc/29/56/14/483295614.db2.gz AHMOBQLOCMQEQK-ZIAGYGMSSA-N 1 3 351.451 -1.395 20 0 FAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861478 483295672 /nfs/dbraw/zinc/29/56/72/483295672.db2.gz FBAQYGMIYKDRFR-HNNXBMFYSA-N 1 3 355.483 -1.423 20 0 FAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861479 483295445 /nfs/dbraw/zinc/29/54/45/483295445.db2.gz FBAQYGMIYKDRFR-OAHLLOKOSA-N 1 3 355.483 -1.423 20 0 FAADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000419874018 483297246 /nfs/dbraw/zinc/29/72/46/483297246.db2.gz VQBAFRLDRVXYNX-AWEZNQCLSA-N 1 3 351.451 -1.394 20 0 FAADHO [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000419874021 483297215 /nfs/dbraw/zinc/29/72/15/483297215.db2.gz VQBAFRLDRVXYNX-CQSZACIVSA-N 1 3 351.451 -1.394 20 0 FAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874625 483295728 /nfs/dbraw/zinc/29/57/28/483295728.db2.gz UGEDWRKQNZOPIV-INIZCTEOSA-N 1 3 369.510 -1.033 20 0 FAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874879 483295980 /nfs/dbraw/zinc/29/59/80/483295980.db2.gz UGEDWRKQNZOPIV-MRXNPFEDSA-N 1 3 369.510 -1.033 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419878813 483295427 /nfs/dbraw/zinc/29/54/27/483295427.db2.gz ZCABYUAJYFDTKR-AWEZNQCLSA-N 1 3 353.467 -1.148 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419878816 483295846 /nfs/dbraw/zinc/29/58/46/483295846.db2.gz ZCABYUAJYFDTKR-CQSZACIVSA-N 1 3 353.467 -1.148 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419886365 483297306 /nfs/dbraw/zinc/29/73/06/483297306.db2.gz CGFXMVMIPNUUTE-AWEZNQCLSA-N 1 3 351.451 -1.379 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419886367 483296411 /nfs/dbraw/zinc/29/64/11/483296411.db2.gz CGFXMVMIPNUUTE-CQSZACIVSA-N 1 3 351.451 -1.379 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419895268 483296912 /nfs/dbraw/zinc/29/69/12/483296912.db2.gz RWHNHFKTZRPNPI-AWEZNQCLSA-N 1 3 353.467 -1.133 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419895269 483297179 /nfs/dbraw/zinc/29/71/79/483297179.db2.gz RWHNHFKTZRPNPI-CQSZACIVSA-N 1 3 353.467 -1.133 20 0 FAADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419906529 483296635 /nfs/dbraw/zinc/29/66/35/483296635.db2.gz CMNUKJAKBQGCJA-UHFFFAOYSA-N 1 3 353.467 -1.131 20 0 FAADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419910702 483297237 /nfs/dbraw/zinc/29/72/37/483297237.db2.gz QLRITCAECYHLME-AWEZNQCLSA-N 1 3 353.467 -1.133 20 0 FAADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419910703 483296661 /nfs/dbraw/zinc/29/66/61/483296661.db2.gz QLRITCAECYHLME-CQSZACIVSA-N 1 3 353.467 -1.133 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419913343 483296490 /nfs/dbraw/zinc/29/64/90/483296490.db2.gz NNGNZIIDQIPGMC-AWEZNQCLSA-N 1 3 351.451 -1.379 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419914010 483297077 /nfs/dbraw/zinc/29/70/77/483297077.db2.gz NNGNZIIDQIPGMC-CQSZACIVSA-N 1 3 351.451 -1.379 20 0 FAADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419950469 483297666 /nfs/dbraw/zinc/29/76/66/483297666.db2.gz MMXDJWQVMQLPEC-AWEZNQCLSA-N 1 3 353.467 -1.275 20 0 FAADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419950470 483297969 /nfs/dbraw/zinc/29/79/69/483297969.db2.gz MMXDJWQVMQLPEC-CQSZACIVSA-N 1 3 353.467 -1.275 20 0 FAADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419963854 483296699 /nfs/dbraw/zinc/29/66/99/483296699.db2.gz ZPVYANWRZSRCCF-KBPBESRZSA-N 1 3 353.467 -1.277 20 0 FAADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419963857 483296480 /nfs/dbraw/zinc/29/64/80/483296480.db2.gz ZPVYANWRZSRCCF-KGLIPLIRSA-N 1 3 353.467 -1.277 20 0 FAADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419963858 483296619 /nfs/dbraw/zinc/29/66/19/483296619.db2.gz ZPVYANWRZSRCCF-UONOGXRCSA-N 1 3 353.467 -1.277 20 0 FAADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419963859 483296764 /nfs/dbraw/zinc/29/67/64/483296764.db2.gz ZPVYANWRZSRCCF-ZIAGYGMSSA-N 1 3 353.467 -1.277 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000419964692 483297291 /nfs/dbraw/zinc/29/72/91/483297291.db2.gz GAEWGXDDNXYAKL-AWEZNQCLSA-N 1 3 355.483 -1.029 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000419964694 272856316 /nfs/dbraw/zinc/85/63/16/272856316.db2.gz GAEWGXDDNXYAKL-CQSZACIVSA-N 1 3 355.483 -1.029 20 0 FAADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419976823 483298223 /nfs/dbraw/zinc/29/82/23/483298223.db2.gz MOIPHNPSHRHQJJ-AWEZNQCLSA-N 1 3 353.467 -1.148 20 0 FAADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419976826 272856096 /nfs/dbraw/zinc/85/60/96/272856096.db2.gz MOIPHNPSHRHQJJ-CQSZACIVSA-N 1 3 353.467 -1.148 20 0 FAADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419977844 483298328 /nfs/dbraw/zinc/29/83/28/483298328.db2.gz NQVQDVPMGWCPNE-KBPBESRZSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419977845 483297741 /nfs/dbraw/zinc/29/77/41/483297741.db2.gz NQVQDVPMGWCPNE-KGLIPLIRSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419977848 483297624 /nfs/dbraw/zinc/29/76/24/483297624.db2.gz NQVQDVPMGWCPNE-UONOGXRCSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419977850 483298104 /nfs/dbraw/zinc/29/81/04/483298104.db2.gz NQVQDVPMGWCPNE-ZIAGYGMSSA-N 1 3 353.467 -1.149 20 0 FAADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000420024501 483299426 /nfs/dbraw/zinc/29/94/26/483299426.db2.gz ALRWPWJBRHOFTP-AWEZNQCLSA-N 1 3 351.451 -1.394 20 0 FAADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000420024503 483298916 /nfs/dbraw/zinc/29/89/16/483298916.db2.gz ALRWPWJBRHOFTP-CQSZACIVSA-N 1 3 351.451 -1.394 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420039872 272856884 /nfs/dbraw/zinc/85/68/84/272856884.db2.gz OJCYQMCAYAXQSL-AWEZNQCLSA-N 1 3 353.467 -1.148 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420039873 483299063 /nfs/dbraw/zinc/29/90/63/483299063.db2.gz OJCYQMCAYAXQSL-CQSZACIVSA-N 1 3 353.467 -1.148 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420066148 483299055 /nfs/dbraw/zinc/29/90/55/483299055.db2.gz QPFSTSOTSJDRRV-KBPBESRZSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420066149 483298810 /nfs/dbraw/zinc/29/88/10/483298810.db2.gz QPFSTSOTSJDRRV-KGLIPLIRSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420066150 483299086 /nfs/dbraw/zinc/29/90/86/483299086.db2.gz QPFSTSOTSJDRRV-UONOGXRCSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420066151 483298870 /nfs/dbraw/zinc/29/88/70/483298870.db2.gz QPFSTSOTSJDRRV-ZIAGYGMSSA-N 1 3 351.451 -1.395 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420088700 483298933 /nfs/dbraw/zinc/29/89/33/483298933.db2.gz IJHMGJNAPBDDQO-UHFFFAOYSA-N 1 3 353.467 -1.003 20 0 FAADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000420122900 483300650 /nfs/dbraw/zinc/30/06/50/483300650.db2.gz LGEALJMQQLFMJN-UHFFFAOYSA-N 1 3 351.451 -1.249 20 0 FAADHO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420165118 483300160 /nfs/dbraw/zinc/30/01/60/483300160.db2.gz MQIOKECZLFYNRX-UHFFFAOYSA-N 1 3 369.466 -1.895 20 0 FAADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420165122 483299987 /nfs/dbraw/zinc/29/99/87/483299987.db2.gz GHZVJQBOYSYOLK-CQSZACIVSA-N 1 3 353.467 -1.133 20 0 FAADHO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420167175 483300136 /nfs/dbraw/zinc/30/01/36/483300136.db2.gz OQBGFOONRXJFAX-AWEZNQCLSA-N 1 3 369.466 -1.896 20 0 FAADHO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420167177 483300088 /nfs/dbraw/zinc/30/00/88/483300088.db2.gz OQBGFOONRXJFAX-CQSZACIVSA-N 1 3 369.466 -1.896 20 0 FAADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420168981 483300627 /nfs/dbraw/zinc/30/06/27/483300627.db2.gz LDTALIDBJPLTSQ-KGLIPLIRSA-N 1 3 353.467 -1.134 20 0 FAADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420168982 483300668 /nfs/dbraw/zinc/30/06/68/483300668.db2.gz LDTALIDBJPLTSQ-ZIAGYGMSSA-N 1 3 353.467 -1.134 20 0 FAADHO COCCNCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420176568 483300546 /nfs/dbraw/zinc/30/05/46/483300546.db2.gz AEHJRDKHWZYONG-INIZCTEOSA-N 1 3 369.510 -1.033 20 0 FAADHO COCCNCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420176568 483300539 /nfs/dbraw/zinc/30/05/39/483300539.db2.gz AEHJRDKHWZYONG-INIZCTEOSA-N 1 3 369.510 -1.033 20 0 FAADHO COCCNCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420176574 272857574 /nfs/dbraw/zinc/85/75/74/272857574.db2.gz AEHJRDKHWZYONG-MRXNPFEDSA-N 1 3 369.510 -1.033 20 0 FAADHO COCCNCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420176574 272857572 /nfs/dbraw/zinc/85/75/72/272857572.db2.gz AEHJRDKHWZYONG-MRXNPFEDSA-N 1 3 369.510 -1.033 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420196168 483301636 /nfs/dbraw/zinc/30/16/36/483301636.db2.gz LEGBXNDSCZDZMH-AWEZNQCLSA-N 1 3 369.466 -1.896 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420196169 483301875 /nfs/dbraw/zinc/30/18/75/483301875.db2.gz LEGBXNDSCZDZMH-CQSZACIVSA-N 1 3 369.466 -1.896 20 0 FAADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420197982 483301441 /nfs/dbraw/zinc/30/14/41/483301441.db2.gz JXKPMVUXZCRWRG-CVEARBPZSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420197982 483301437 /nfs/dbraw/zinc/30/14/37/483301437.db2.gz JXKPMVUXZCRWRG-CVEARBPZSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420197987 483301649 /nfs/dbraw/zinc/30/16/49/483301649.db2.gz JXKPMVUXZCRWRG-HOTGVXAUSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420197987 483301646 /nfs/dbraw/zinc/30/16/46/483301646.db2.gz JXKPMVUXZCRWRG-HOTGVXAUSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420197989 483301201 /nfs/dbraw/zinc/30/12/01/483301201.db2.gz JXKPMVUXZCRWRG-HZPDHXFCSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420197989 483301196 /nfs/dbraw/zinc/30/11/96/483301196.db2.gz JXKPMVUXZCRWRG-HZPDHXFCSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420197991 483300984 /nfs/dbraw/zinc/30/09/84/483300984.db2.gz JXKPMVUXZCRWRG-JKSUJKDBSA-N 1 3 367.494 -1.281 20 0 FAADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420197991 483300973 /nfs/dbraw/zinc/30/09/73/483300973.db2.gz JXKPMVUXZCRWRG-JKSUJKDBSA-N 1 3 367.494 -1.281 20 0 FAADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220791 483301157 /nfs/dbraw/zinc/30/11/57/483301157.db2.gz PPXJXLNAMWHLGY-LLVKDONJSA-N 1 3 353.389 -1.041 20 0 FAADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220794 483302005 /nfs/dbraw/zinc/30/20/05/483302005.db2.gz PPXJXLNAMWHLGY-NSHDSACASA-N 1 3 353.389 -1.041 20 0 FAADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423241142 483321411 /nfs/dbraw/zinc/32/14/11/483321411.db2.gz DDWDEJGTVBVGRT-AWEZNQCLSA-N 1 3 351.451 -1.297 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423244577 483321497 /nfs/dbraw/zinc/32/14/97/483321497.db2.gz HTAYYZKNBZJKTF-AWEZNQCLSA-N 1 3 353.467 -1.051 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423244578 483321634 /nfs/dbraw/zinc/32/16/34/483321634.db2.gz HTAYYZKNBZJKTF-CQSZACIVSA-N 1 3 353.467 -1.051 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423245422 483320760 /nfs/dbraw/zinc/32/07/60/483320760.db2.gz IVBUETCCNHYHKM-AWEZNQCLSA-N 1 3 369.466 -1.815 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423245423 483321671 /nfs/dbraw/zinc/32/16/71/483321671.db2.gz IVBUETCCNHYHKM-CQSZACIVSA-N 1 3 369.466 -1.815 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423250238 483321930 /nfs/dbraw/zinc/32/19/30/483321930.db2.gz QAQHIZIDOKGOQY-ZIAGYGMSSA-N 1 3 353.467 -1.195 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423251424 483321276 /nfs/dbraw/zinc/32/12/76/483321276.db2.gz SCVKZJBHQPMQTB-GASCZTMLSA-N 1 3 365.478 -1.323 20 0 FAADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423253529 483321063 /nfs/dbraw/zinc/32/10/63/483321063.db2.gz WAPCVNXABJPEHR-UHFFFAOYSA-N 1 3 353.467 -1.179 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000423254681 483321763 /nfs/dbraw/zinc/32/17/63/483321763.db2.gz ZDBGVHIAMBPYBS-AWEZNQCLSA-N 1 3 353.467 -1.181 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000423254682 483321693 /nfs/dbraw/zinc/32/16/93/483321693.db2.gz ZDBGVHIAMBPYBS-CQSZACIVSA-N 1 3 353.467 -1.181 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423258533 483320666 /nfs/dbraw/zinc/32/06/66/483320666.db2.gz BSMBOGRKTWIDKY-AWEZNQCLSA-N 1 3 371.482 -1.664 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423258534 483320724 /nfs/dbraw/zinc/32/07/24/483320724.db2.gz BSMBOGRKTWIDKY-CQSZACIVSA-N 1 3 371.482 -1.664 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423260244 483320839 /nfs/dbraw/zinc/32/08/39/483320839.db2.gz HCHRVYPYFPRMBM-HNNXBMFYSA-N 1 3 355.483 -1.471 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423260245 483320637 /nfs/dbraw/zinc/32/06/37/483320637.db2.gz HCHRVYPYFPRMBM-OAHLLOKOSA-N 1 3 355.483 -1.471 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423260662 483321203 /nfs/dbraw/zinc/32/12/03/483321203.db2.gz HYFLVBWQFICELM-HNNXBMFYSA-N 1 3 355.483 -1.471 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423260663 483321921 /nfs/dbraw/zinc/32/19/21/483321921.db2.gz HYFLVBWQFICELM-OAHLLOKOSA-N 1 3 355.483 -1.471 20 0 FAADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423376454 483322745 /nfs/dbraw/zinc/32/27/45/483322745.db2.gz JJWDVWDHXJGDKS-CYBMUJFWSA-N 1 3 363.418 -1.075 20 0 FAADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423376457 483322558 /nfs/dbraw/zinc/32/25/58/483322558.db2.gz JJWDVWDHXJGDKS-ZDUSSCGKSA-N 1 3 363.418 -1.075 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423526009 483322766 /nfs/dbraw/zinc/32/27/66/483322766.db2.gz UVAAJCVDIKPENS-KBPBESRZSA-N 1 3 351.451 -1.299 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423526012 483322934 /nfs/dbraw/zinc/32/29/34/483322934.db2.gz UVAAJCVDIKPENS-UONOGXRCSA-N 1 3 351.451 -1.299 20 0 FAADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423528829 483323813 /nfs/dbraw/zinc/32/38/13/483323813.db2.gz WWGMAFNWRPPPPP-AWEZNQCLSA-N 1 3 353.467 -1.181 20 0 FAADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423528830 483323310 /nfs/dbraw/zinc/32/33/10/483323310.db2.gz WWGMAFNWRPPPPP-CQSZACIVSA-N 1 3 353.467 -1.181 20 0 FAADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423585959 483325064 /nfs/dbraw/zinc/32/50/64/483325064.db2.gz CFIFYHBVXTZSFU-HNNXBMFYSA-N 1 3 365.478 -1.037 20 0 FAADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423585960 483324869 /nfs/dbraw/zinc/32/48/69/483324869.db2.gz CFIFYHBVXTZSFU-OAHLLOKOSA-N 1 3 365.478 -1.037 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423619211 483325629 /nfs/dbraw/zinc/32/56/29/483325629.db2.gz ZYJDIVLNDJETCL-UHFFFAOYSA-N 1 3 353.467 -1.179 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649130 483326836 /nfs/dbraw/zinc/32/68/36/483326836.db2.gz OZEKVMGWKDWECN-CQSZACIVSA-N 1 3 353.467 -1.051 20 0 FAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])C[C@@H]21 ZINC000423654324 483326968 /nfs/dbraw/zinc/32/69/68/483326968.db2.gz AKEIFEQCDYTEJG-ILXRZTDVSA-N 1 3 365.478 -1.005 20 0 FAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])C[C@@H]21 ZINC000423654325 483326982 /nfs/dbraw/zinc/32/69/82/483326982.db2.gz AKEIFEQCDYTEJG-KFWWJZLASA-N 1 3 365.478 -1.005 20 0 FAADHO C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCN1C1CCN(C)CC1 ZINC000423669170 483326852 /nfs/dbraw/zinc/32/68/52/483326852.db2.gz RPPTWIUJPMTEOJ-BPUTZDHNSA-N 1 3 367.494 -1.596 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCN1C1CCN(C)CC1 ZINC000423669174 483326775 /nfs/dbraw/zinc/32/67/75/483326775.db2.gz RPPTWIUJPMTEOJ-KBMXLJTQSA-N 1 3 367.494 -1.596 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423716577 483327284 /nfs/dbraw/zinc/32/72/84/483327284.db2.gz XRLGDDSLRNLGIU-CABCVRRESA-N 1 3 365.478 -1.181 20 0 FAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424532933 483339573 /nfs/dbraw/zinc/33/95/73/483339573.db2.gz YBHHBGMDDRGXTB-LSDHHAIUSA-N 1 3 366.466 -1.242 20 0 FAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424532933 483339571 /nfs/dbraw/zinc/33/95/71/483339571.db2.gz YBHHBGMDDRGXTB-LSDHHAIUSA-N 1 3 366.466 -1.242 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424536181 483339379 /nfs/dbraw/zinc/33/93/79/483339379.db2.gz BCEOIZMEIUAZRR-LSDHHAIUSA-N 1 3 366.466 -1.290 20 0 FAADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313772 483106775 /nfs/dbraw/zinc/10/67/75/483106775.db2.gz IWXRTEIYSLJTAK-CVEARBPZSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313772 483106771 /nfs/dbraw/zinc/10/67/71/483106771.db2.gz IWXRTEIYSLJTAK-CVEARBPZSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313780 483106900 /nfs/dbraw/zinc/10/69/00/483106900.db2.gz IWXRTEIYSLJTAK-HOTGVXAUSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313780 483106895 /nfs/dbraw/zinc/10/68/95/483106895.db2.gz IWXRTEIYSLJTAK-HOTGVXAUSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313783 483107726 /nfs/dbraw/zinc/10/77/26/483107726.db2.gz IWXRTEIYSLJTAK-HZPDHXFCSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313783 483107721 /nfs/dbraw/zinc/10/77/21/483107721.db2.gz IWXRTEIYSLJTAK-HZPDHXFCSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000425313786 483107616 /nfs/dbraw/zinc/10/76/16/483107616.db2.gz IWXRTEIYSLJTAK-JKSUJKDBSA-N 1 3 367.494 -1.328 20 0 FAADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000425313786 483107611 /nfs/dbraw/zinc/10/76/11/483107611.db2.gz IWXRTEIYSLJTAK-JKSUJKDBSA-N 1 3 367.494 -1.328 20 0 FAADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605652 483355117 /nfs/dbraw/zinc/35/51/17/483355117.db2.gz UARMFBRVYCEIQB-DZGCQCFKSA-N 1 3 353.467 -1.148 20 0 FAADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605653 483355456 /nfs/dbraw/zinc/35/54/56/483355456.db2.gz UARMFBRVYCEIQB-HIFRSBDPSA-N 1 3 353.467 -1.148 20 0 FAADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605654 483355024 /nfs/dbraw/zinc/35/50/24/483355024.db2.gz UARMFBRVYCEIQB-UKRRQHHQSA-N 1 3 353.467 -1.148 20 0 FAADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430605655 483355079 /nfs/dbraw/zinc/35/50/79/483355079.db2.gz UARMFBRVYCEIQB-ZFWWWQNUSA-N 1 3 353.467 -1.148 20 0 FAADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430644158 483355811 /nfs/dbraw/zinc/35/58/11/483355811.db2.gz TUYBZQRFYJRMCD-HZSPNIEDSA-N 1 3 353.467 -1.114 20 0 FAADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430644163 483355006 /nfs/dbraw/zinc/35/50/06/483355006.db2.gz TUYBZQRFYJRMCD-MCIONIFRSA-N 1 3 353.467 -1.114 20 0 FAADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430644166 483355796 /nfs/dbraw/zinc/35/57/96/483355796.db2.gz TUYBZQRFYJRMCD-MGPQQGTHSA-N 1 3 353.467 -1.114 20 0 FAADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430644169 483355479 /nfs/dbraw/zinc/35/54/79/483355479.db2.gz TUYBZQRFYJRMCD-RDBSUJKOSA-N 1 3 353.467 -1.114 20 0 FAADHO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000459892128 483400514 /nfs/dbraw/zinc/40/05/14/483400514.db2.gz CLWZESDFZUJAII-UHFFFAOYSA-N 1 3 353.467 -1.227 20 0 FAADHO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000459892255 483400979 /nfs/dbraw/zinc/40/09/79/483400979.db2.gz DLNNXRDWXNMRJD-AWEZNQCLSA-N 1 3 353.467 -1.229 20 0 FAADHO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000459892258 483401084 /nfs/dbraw/zinc/40/10/84/483401084.db2.gz DLNNXRDWXNMRJD-CQSZACIVSA-N 1 3 353.467 -1.229 20 0 FAADHO CC(C)[C@@H](CO)NCC(=O)N1CCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC1 ZINC000464478096 483410730 /nfs/dbraw/zinc/41/07/30/483410730.db2.gz CSRWSTUZMBEYDI-HZPDHXFCSA-N 1 3 372.510 -1.130 20 0 FAADHO C[C@H](C(=O)NC[C@]1(O)CCN(C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000480418051 483443942 /nfs/dbraw/zinc/44/39/42/483443942.db2.gz NYFVELYCTUHPTD-LBTBCDHLSA-N 1 3 370.494 -1.376 20 0 FAADHO C[C@H](C(=O)NC[C@]1(O)CCN(C)C1)[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000480418051 483443936 /nfs/dbraw/zinc/44/39/36/483443936.db2.gz NYFVELYCTUHPTD-LBTBCDHLSA-N 1 3 370.494 -1.376 20 0 FAADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000485374725 483456052 /nfs/dbraw/zinc/45/60/52/483456052.db2.gz CXLAJLQOUYRROO-HNNXBMFYSA-N 1 3 363.466 -1.111 20 0 FAADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000485374726 272880890 /nfs/dbraw/zinc/88/08/90/272880890.db2.gz CXLAJLQOUYRROO-OAHLLOKOSA-N 1 3 363.466 -1.111 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485541438 483456722 /nfs/dbraw/zinc/45/67/22/483456722.db2.gz YFKHZJJXZHKALZ-HNNXBMFYSA-N 1 3 365.478 -1.038 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485541438 483456719 /nfs/dbraw/zinc/45/67/19/483456719.db2.gz YFKHZJJXZHKALZ-HNNXBMFYSA-N 1 3 365.478 -1.038 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485541445 483457534 /nfs/dbraw/zinc/45/75/34/483457534.db2.gz YFKHZJJXZHKALZ-OAHLLOKOSA-N 1 3 365.478 -1.038 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485541445 483457531 /nfs/dbraw/zinc/45/75/31/483457531.db2.gz YFKHZJJXZHKALZ-OAHLLOKOSA-N 1 3 365.478 -1.038 20 0 FAADHO C[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000485605983 483457332 /nfs/dbraw/zinc/45/73/32/483457332.db2.gz YILLNDPAUYZGHI-UHFFFAOYSA-N 1 3 365.478 -1.037 20 0 FAADHO C[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000485605983 483457324 /nfs/dbraw/zinc/45/73/24/483457324.db2.gz YILLNDPAUYZGHI-UHFFFAOYSA-N 1 3 365.478 -1.037 20 0 FAADHO CN1CCN(CCNC(=O)C(=O)NCCOCC[NH+](C)C)CC1(C)C ZINC000496327386 483475277 /nfs/dbraw/zinc/47/52/77/483475277.db2.gz LLCCJHQAWYTBSX-UHFFFAOYSA-N 1 3 357.499 -1.177 20 0 FAADHO CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000514658893 483197378 /nfs/dbraw/zinc/19/73/78/483197378.db2.gz LOJSZKADVQZQGO-CYBMUJFWSA-N 1 3 357.455 -2.088 20 0 FAADHO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000514658898 483197693 /nfs/dbraw/zinc/19/76/93/483197693.db2.gz LOJSZKADVQZQGO-ZDUSSCGKSA-N 1 3 357.455 -2.088 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000515375565 483346924 /nfs/dbraw/zinc/34/69/24/483346924.db2.gz GOQZCFVUSCILPN-UHFFFAOYSA-N 1 3 352.483 -1.159 20 0 FAADHO CN(C)[C@H]1CN(C(=O)CSCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000516118111 483348653 /nfs/dbraw/zinc/34/86/53/483348653.db2.gz UNFXOLUWBBAAOO-XUXIUFHCSA-N 1 3 374.507 -2.014 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562359 483471036 /nfs/dbraw/zinc/47/10/36/483471036.db2.gz QIXFJSRDKCSWRU-GASCZTMLSA-N 1 3 363.462 -1.569 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000516665167 483519152 /nfs/dbraw/zinc/51/91/52/483519152.db2.gz WJFLCAAIWCLUMM-AVGNSLFASA-N 1 3 353.467 -1.151 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000516665170 483519593 /nfs/dbraw/zinc/51/95/93/483519593.db2.gz WJFLCAAIWCLUMM-RWMBFGLXSA-N 1 3 353.467 -1.151 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000516665171 483520012 /nfs/dbraw/zinc/52/00/12/483520012.db2.gz WJFLCAAIWCLUMM-XQQFMLRXSA-N 1 3 353.467 -1.151 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000516665172 483520200 /nfs/dbraw/zinc/52/02/00/483520200.db2.gz WJFLCAAIWCLUMM-YNEHKIRRSA-N 1 3 353.467 -1.151 20 0 FAADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516751448 483520132 /nfs/dbraw/zinc/52/01/32/483520132.db2.gz DPYDGDYBIKWMGO-UHFFFAOYSA-N 1 3 353.467 -1.131 20 0 FAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000517394765 483523416 /nfs/dbraw/zinc/52/34/16/483523416.db2.gz RPLUYUOCKWSUAM-CHWSQXEVSA-N 1 3 351.451 -1.253 20 0 FAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000517394768 483522554 /nfs/dbraw/zinc/52/25/54/483522554.db2.gz RPLUYUOCKWSUAM-OLZOCXBDSA-N 1 3 351.451 -1.253 20 0 FAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000517394770 483522717 /nfs/dbraw/zinc/52/27/17/483522717.db2.gz RPLUYUOCKWSUAM-QWHCGFSZSA-N 1 3 351.451 -1.253 20 0 FAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000517394771 483522901 /nfs/dbraw/zinc/52/29/01/483522901.db2.gz RPLUYUOCKWSUAM-STQMWFEESA-N 1 3 351.451 -1.253 20 0 FAADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCCCN3C3CC3)CCN2C1=O ZINC000517966534 482622070 /nfs/dbraw/zinc/62/20/70/482622070.db2.gz XXDHKWXIROUBKU-QLFBSQMISA-N 1 3 363.462 -1.110 20 0 FAADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCCCN3C3CC3)CCN2C1=O ZINC000517966535 482621653 /nfs/dbraw/zinc/62/16/53/482621653.db2.gz XXDHKWXIROUBKU-RBSFLKMASA-N 1 3 363.462 -1.110 20 0 FAADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)CCN2C1=O ZINC000517966536 482621913 /nfs/dbraw/zinc/62/19/13/482621913.db2.gz XXDHKWXIROUBKU-RRFJBIMHSA-N 1 3 363.462 -1.110 20 0 FAADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)CCN2C1=O ZINC000517966537 482621461 /nfs/dbraw/zinc/62/14/61/482621461.db2.gz XXDHKWXIROUBKU-SOUVJXGZSA-N 1 3 363.462 -1.110 20 0 FAADHO C[NH+](C)CCN1C(=O)C[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000518049559 482622986 /nfs/dbraw/zinc/62/29/86/482622986.db2.gz KBEWOYFSVVLYAV-HNNXBMFYSA-N 1 3 365.478 -1.085 20 0 FAADHO C[NH+](C)CCN1C(=O)C[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000518049560 482622668 /nfs/dbraw/zinc/62/26/68/482622668.db2.gz KBEWOYFSVVLYAV-OAHLLOKOSA-N 1 3 365.478 -1.085 20 0 FAADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000519182854 483137612 /nfs/dbraw/zinc/13/76/12/483137612.db2.gz BRXGCNQFVIGTOQ-CLRIEMFWSA-N 1 3 351.451 -1.254 20 0 FAADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000519182855 483137101 /nfs/dbraw/zinc/13/71/01/483137101.db2.gz BRXGCNQFVIGTOQ-HOAMVYINSA-N 1 3 351.451 -1.254 20 0 FAADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000519182856 483137253 /nfs/dbraw/zinc/13/72/53/483137253.db2.gz BRXGCNQFVIGTOQ-NWINJMCUSA-N 1 3 351.451 -1.254 20 0 FAADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000519182857 483137547 /nfs/dbraw/zinc/13/75/47/483137547.db2.gz BRXGCNQFVIGTOQ-PQAZSJQKSA-N 1 3 351.451 -1.254 20 0 FAADHO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519732028 483143303 /nfs/dbraw/zinc/14/33/03/483143303.db2.gz UTAFMOBZKKYYAB-KBPBESRZSA-N 1 3 355.483 -1.031 20 0 FAADHO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519732105 483144340 /nfs/dbraw/zinc/14/43/40/483144340.db2.gz UTAFMOBZKKYYAB-KGLIPLIRSA-N 1 3 355.483 -1.031 20 0 FAADHO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519732109 483144086 /nfs/dbraw/zinc/14/40/86/483144086.db2.gz UTAFMOBZKKYYAB-UONOGXRCSA-N 1 3 355.483 -1.031 20 0 FAADHO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519732118 483144123 /nfs/dbraw/zinc/14/41/23/483144123.db2.gz UTAFMOBZKKYYAB-ZIAGYGMSSA-N 1 3 355.483 -1.031 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)N1CCO ZINC000520529469 483152004 /nfs/dbraw/zinc/15/20/04/483152004.db2.gz LRRDLMVBSKPGRX-IYBDPMFKSA-N 1 3 371.526 -1.148 20 0 FAADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000521464446 483286293 /nfs/dbraw/zinc/28/62/93/483286293.db2.gz WYCIRGSFCVPBBN-KBPBESRZSA-N 1 3 365.478 -1.005 20 0 FAADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000521464447 483286187 /nfs/dbraw/zinc/28/61/87/483286187.db2.gz WYCIRGSFCVPBBN-KGLIPLIRSA-N 1 3 365.478 -1.005 20 0 FAADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000521464448 483287092 /nfs/dbraw/zinc/28/70/92/483287092.db2.gz WYCIRGSFCVPBBN-UONOGXRCSA-N 1 3 365.478 -1.005 20 0 FAADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000521464449 272892936 /nfs/dbraw/zinc/89/29/36/272892936.db2.gz WYCIRGSFCVPBBN-ZIAGYGMSSA-N 1 3 365.478 -1.005 20 0 FAADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)S(N)(=O)=O ZINC000525882381 483129362 /nfs/dbraw/zinc/12/93/62/483129362.db2.gz WAZGMULQXJJABQ-LLVKDONJSA-N 1 3 351.473 -2.269 20 0 FAADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)S(N)(=O)=O ZINC000525882382 483128663 /nfs/dbraw/zinc/12/86/63/483128663.db2.gz WAZGMULQXJJABQ-NSHDSACASA-N 1 3 351.473 -2.269 20 0 FAADHO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551076534 483601640 /nfs/dbraw/zinc/60/16/40/483601640.db2.gz FBKXSBNOENAUAF-HNNXBMFYSA-N 1 3 357.499 -1.225 20 0 FAADHO C[C@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551076542 483602231 /nfs/dbraw/zinc/60/22/31/483602231.db2.gz FBKXSBNOENAUAF-OAHLLOKOSA-N 1 3 357.499 -1.225 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000553389739 483616898 /nfs/dbraw/zinc/61/68/98/483616898.db2.gz HNVWXDAMUOZPTM-AWEZNQCLSA-N 1 3 367.498 -1.134 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000553389740 483616989 /nfs/dbraw/zinc/61/69/89/483616989.db2.gz HNVWXDAMUOZPTM-CQSZACIVSA-N 1 3 367.498 -1.134 20 0 FAADHO Cc1nc2n(n1)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000556795385 482574808 /nfs/dbraw/zinc/57/48/08/482574808.db2.gz RNIVPHQOJHRIHL-UHFFFAOYSA-N 1 3 351.455 -1.119 20 0 FAADHO CC[NH+]1CCN([C@@H](C)CNc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000557492199 482583647 /nfs/dbraw/zinc/58/36/47/482583647.db2.gz AAVJCMPZHKHKTP-AWEZNQCLSA-N 1 3 366.514 -1.200 20 0 FAADHO CC[NH+]1CCN([C@H](C)CNc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000557492202 482584394 /nfs/dbraw/zinc/58/43/94/482584394.db2.gz AAVJCMPZHKHKTP-CQSZACIVSA-N 1 3 366.514 -1.200 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000557494382 482584314 /nfs/dbraw/zinc/58/43/14/482584314.db2.gz XEYQESJKARJBMV-UHFFFAOYSA-N 1 3 366.514 -1.200 20 0 FAADHO COCC[NH+]1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000557539284 482583798 /nfs/dbraw/zinc/58/37/98/482583798.db2.gz VOTFSJJQKAUDHA-UHFFFAOYSA-N 1 3 353.471 -1.116 20 0 FAADHO COCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012786 482667487 /nfs/dbraw/zinc/66/74/87/482667487.db2.gz LGDXVAVSUHFGSV-CVEARBPZSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000560012786 482667482 /nfs/dbraw/zinc/66/74/82/482667482.db2.gz LGDXVAVSUHFGSV-CVEARBPZSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012795 482666621 /nfs/dbraw/zinc/66/66/21/482666621.db2.gz LGDXVAVSUHFGSV-HOTGVXAUSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000560012795 482666617 /nfs/dbraw/zinc/66/66/17/482666617.db2.gz LGDXVAVSUHFGSV-HOTGVXAUSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012796 482667174 /nfs/dbraw/zinc/66/71/74/482667174.db2.gz LGDXVAVSUHFGSV-HZPDHXFCSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000560012796 482667165 /nfs/dbraw/zinc/66/71/65/482667165.db2.gz LGDXVAVSUHFGSV-HZPDHXFCSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560012798 482667288 /nfs/dbraw/zinc/66/72/88/482667288.db2.gz LGDXVAVSUHFGSV-JKSUJKDBSA-N 1 3 369.510 -1.177 20 0 FAADHO COCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000560012798 482667285 /nfs/dbraw/zinc/66/72/85/482667285.db2.gz LGDXVAVSUHFGSV-JKSUJKDBSA-N 1 3 369.510 -1.177 20 0 FAADHO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000561126933 482681625 /nfs/dbraw/zinc/68/16/25/482681625.db2.gz HETMVOJOEVKTAS-AWEZNQCLSA-N 1 3 365.482 -1.031 20 0 FAADHO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000561126934 482681235 /nfs/dbraw/zinc/68/12/35/482681235.db2.gz HETMVOJOEVKTAS-CQSZACIVSA-N 1 3 365.482 -1.031 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000562692116 482699684 /nfs/dbraw/zinc/69/96/84/482699684.db2.gz JOKZLQOUORYCEH-UHFFFAOYSA-N 1 3 370.454 -2.906 20 0 FAADHO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562692424 482699766 /nfs/dbraw/zinc/69/97/66/482699766.db2.gz BUGAYIIUOYNWOE-KRWDZBQOSA-N 1 3 355.483 -1.077 20 0 FAADHO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000562692425 482699750 /nfs/dbraw/zinc/69/97/50/482699750.db2.gz BUGAYIIUOYNWOE-QGZVFWFLSA-N 1 3 355.483 -1.077 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000563033767 482763906 /nfs/dbraw/zinc/76/39/06/482763906.db2.gz WBYHKRVOWGXMPY-AWEZNQCLSA-N 1 3 355.483 -1.077 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000563033776 482763528 /nfs/dbraw/zinc/76/35/28/482763528.db2.gz WBYHKRVOWGXMPY-CQSZACIVSA-N 1 3 355.483 -1.077 20 0 FAADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000563522448 482946015 /nfs/dbraw/zinc/94/60/15/482946015.db2.gz CPKXVPYCRPQDOQ-HNNXBMFYSA-N 1 3 352.483 -1.160 20 0 FAADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000563522449 482946809 /nfs/dbraw/zinc/94/68/09/482946809.db2.gz CPKXVPYCRPQDOQ-OAHLLOKOSA-N 1 3 352.483 -1.160 20 0 FAADHO CC1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000563548794 482946870 /nfs/dbraw/zinc/94/68/70/482946870.db2.gz MSJAYNVORGMLJC-KBPBESRZSA-N 1 3 351.451 -1.395 20 0 FAADHO CC1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563548795 482946243 /nfs/dbraw/zinc/94/62/43/482946243.db2.gz MSJAYNVORGMLJC-KGLIPLIRSA-N 1 3 351.451 -1.395 20 0 FAADHO CC1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000563548796 482946042 /nfs/dbraw/zinc/94/60/42/482946042.db2.gz MSJAYNVORGMLJC-UONOGXRCSA-N 1 3 351.451 -1.395 20 0 FAADHO CC1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563548797 482945825 /nfs/dbraw/zinc/94/58/25/482945825.db2.gz MSJAYNVORGMLJC-ZIAGYGMSSA-N 1 3 351.451 -1.395 20 0 FAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000565592602 483639913 /nfs/dbraw/zinc/63/99/13/483639913.db2.gz JPMDFQDLCRCWRH-INIZCTEOSA-N 1 3 368.526 -1.556 20 0 FAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000565592607 483639581 /nfs/dbraw/zinc/63/95/81/483639581.db2.gz JPMDFQDLCRCWRH-MRXNPFEDSA-N 1 3 368.526 -1.556 20 0 FAADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565598564 483639806 /nfs/dbraw/zinc/63/98/06/483639806.db2.gz SSBUOZXIEFBPBC-BFHYXJOUSA-N 1 3 353.467 -1.007 20 0 FAADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565598568 483639273 /nfs/dbraw/zinc/63/92/73/483639273.db2.gz SSBUOZXIEFBPBC-IHRRRGAJSA-N 1 3 353.467 -1.007 20 0 FAADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000565598569 483639294 /nfs/dbraw/zinc/63/92/94/483639294.db2.gz SSBUOZXIEFBPBC-MELADBBJSA-N 1 3 353.467 -1.007 20 0 FAADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000565598570 483638949 /nfs/dbraw/zinc/63/89/49/483638949.db2.gz SSBUOZXIEFBPBC-MJBXVCDLSA-N 1 3 353.467 -1.007 20 0 FAADHO CC(=O)NC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000565643121 483639900 /nfs/dbraw/zinc/63/99/00/483639900.db2.gz SHNBGVHKCKBISD-HNNXBMFYSA-N 1 3 371.482 -1.698 20 0 FAADHO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000565643124 483639241 /nfs/dbraw/zinc/63/92/41/483639241.db2.gz SHNBGVHKCKBISD-OAHLLOKOSA-N 1 3 371.482 -1.698 20 0 FAADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565728705 483638979 /nfs/dbraw/zinc/63/89/79/483638979.db2.gz XDJNRCIIJHSLOU-ILXRZTDVSA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565728705 483638970 /nfs/dbraw/zinc/63/89/70/483638970.db2.gz XDJNRCIIJHSLOU-ILXRZTDVSA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565728706 483639011 /nfs/dbraw/zinc/63/90/11/483639011.db2.gz XDJNRCIIJHSLOU-KFWWJZLASA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565728706 483639006 /nfs/dbraw/zinc/63/90/06/483639006.db2.gz XDJNRCIIJHSLOU-KFWWJZLASA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565728707 483639506 /nfs/dbraw/zinc/63/95/06/483639506.db2.gz XDJNRCIIJHSLOU-QLFBSQMISA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565728707 483639502 /nfs/dbraw/zinc/63/95/02/483639502.db2.gz XDJNRCIIJHSLOU-QLFBSQMISA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565728708 483639410 /nfs/dbraw/zinc/63/94/10/483639410.db2.gz XDJNRCIIJHSLOU-RBSFLKMASA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565728708 483639405 /nfs/dbraw/zinc/63/94/05/483639405.db2.gz XDJNRCIIJHSLOU-RBSFLKMASA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000565844827 483641136 /nfs/dbraw/zinc/64/11/36/483641136.db2.gz BMDWABZOZCYOCY-HZSPNIEDSA-N 1 3 351.451 -1.395 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000565844828 483640636 /nfs/dbraw/zinc/64/06/36/483640636.db2.gz BMDWABZOZCYOCY-MCIONIFRSA-N 1 3 351.451 -1.395 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000565844829 483641358 /nfs/dbraw/zinc/64/13/58/483641358.db2.gz BMDWABZOZCYOCY-MGPQQGTHSA-N 1 3 351.451 -1.395 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000565844830 483640901 /nfs/dbraw/zinc/64/09/01/483640901.db2.gz BMDWABZOZCYOCY-RDBSUJKOSA-N 1 3 351.451 -1.395 20 0 FAADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000566237565 483641782 /nfs/dbraw/zinc/64/17/82/483641782.db2.gz QQDCUZBFFREKEU-KBPBESRZSA-N 1 3 353.467 -1.005 20 0 FAADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000566237567 483642038 /nfs/dbraw/zinc/64/20/38/483642038.db2.gz QQDCUZBFFREKEU-KGLIPLIRSA-N 1 3 353.467 -1.005 20 0 FAADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000566237568 483641821 /nfs/dbraw/zinc/64/18/21/483641821.db2.gz QQDCUZBFFREKEU-UONOGXRCSA-N 1 3 353.467 -1.005 20 0 FAADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000566237615 483642208 /nfs/dbraw/zinc/64/22/08/483642208.db2.gz QQDCUZBFFREKEU-ZIAGYGMSSA-N 1 3 353.467 -1.005 20 0 FAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000566688938 483645534 /nfs/dbraw/zinc/64/55/34/483645534.db2.gz GSSWDTKETNNMCB-CABCVRRESA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000566688939 483645580 /nfs/dbraw/zinc/64/55/80/483645580.db2.gz GSSWDTKETNNMCB-GJZGRUSLSA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000566688940 483644965 /nfs/dbraw/zinc/64/49/65/483644965.db2.gz GSSWDTKETNNMCB-HUUCEWRRSA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000566688942 483645686 /nfs/dbraw/zinc/64/56/86/483645686.db2.gz GSSWDTKETNNMCB-LSDHHAIUSA-N 1 3 363.462 -1.253 20 0 FAADHO COCC(=O)N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000566724307 483645157 /nfs/dbraw/zinc/64/51/57/483645157.db2.gz PEBKQGMHYJWEPY-UHFFFAOYSA-N 1 3 371.482 -1.745 20 0 FAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567125184 483646385 /nfs/dbraw/zinc/64/63/85/483646385.db2.gz CXBRXQJTJSDUPZ-CHWSQXEVSA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567125184 483646379 /nfs/dbraw/zinc/64/63/79/483646379.db2.gz CXBRXQJTJSDUPZ-CHWSQXEVSA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567125185 483647614 /nfs/dbraw/zinc/64/76/14/483647614.db2.gz CXBRXQJTJSDUPZ-OLZOCXBDSA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567125185 483647611 /nfs/dbraw/zinc/64/76/11/483647611.db2.gz CXBRXQJTJSDUPZ-OLZOCXBDSA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567125186 483646303 /nfs/dbraw/zinc/64/63/03/483646303.db2.gz CXBRXQJTJSDUPZ-QWHCGFSZSA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567125186 483646297 /nfs/dbraw/zinc/64/62/97/483646297.db2.gz CXBRXQJTJSDUPZ-QWHCGFSZSA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567125187 483646178 /nfs/dbraw/zinc/64/61/78/483646178.db2.gz CXBRXQJTJSDUPZ-STQMWFEESA-N 1 3 355.439 -2.159 20 0 FAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567125187 483646173 /nfs/dbraw/zinc/64/61/73/483646173.db2.gz CXBRXQJTJSDUPZ-STQMWFEESA-N 1 3 355.439 -2.159 20 0 FAADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000567883005 483653003 /nfs/dbraw/zinc/65/30/03/483653003.db2.gz IUUJBLNVEFVHOI-AWEZNQCLSA-N 1 3 371.463 -1.038 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000568045745 483652885 /nfs/dbraw/zinc/65/28/85/483652885.db2.gz OUUXUYVVLIOMGT-UHFFFAOYSA-N 1 3 353.467 -1.229 20 0 FAADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568292265 483656212 /nfs/dbraw/zinc/65/62/12/483656212.db2.gz INVXXBKDBGKLBU-HZSPNIEDSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568292265 483656208 /nfs/dbraw/zinc/65/62/08/483656208.db2.gz INVXXBKDBGKLBU-HZSPNIEDSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568292266 483655362 /nfs/dbraw/zinc/65/53/62/483655362.db2.gz INVXXBKDBGKLBU-MCIONIFRSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568292266 483655358 /nfs/dbraw/zinc/65/53/58/483655358.db2.gz INVXXBKDBGKLBU-MCIONIFRSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568292267 483655776 /nfs/dbraw/zinc/65/57/76/483655776.db2.gz INVXXBKDBGKLBU-MGPQQGTHSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568292267 483655770 /nfs/dbraw/zinc/65/57/70/483655770.db2.gz INVXXBKDBGKLBU-MGPQQGTHSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568292268 483655335 /nfs/dbraw/zinc/65/53/35/483655335.db2.gz INVXXBKDBGKLBU-RDBSUJKOSA-N 1 3 351.451 -1.253 20 0 FAADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568292268 483655331 /nfs/dbraw/zinc/65/53/31/483655331.db2.gz INVXXBKDBGKLBU-RDBSUJKOSA-N 1 3 351.451 -1.253 20 0 FAADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000568648578 483659003 /nfs/dbraw/zinc/65/90/03/483659003.db2.gz HVDJXUDSBLHEOV-CABCVRRESA-N 1 3 365.478 -1.005 20 0 FAADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000568648580 483659054 /nfs/dbraw/zinc/65/90/54/483659054.db2.gz HVDJXUDSBLHEOV-GJZGRUSLSA-N 1 3 365.478 -1.005 20 0 FAADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000568648581 483659143 /nfs/dbraw/zinc/65/91/43/483659143.db2.gz HVDJXUDSBLHEOV-HUUCEWRRSA-N 1 3 365.478 -1.005 20 0 FAADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000568648584 483659103 /nfs/dbraw/zinc/65/91/03/483659103.db2.gz HVDJXUDSBLHEOV-LSDHHAIUSA-N 1 3 365.478 -1.005 20 0 FAADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000568783539 483659076 /nfs/dbraw/zinc/65/90/76/483659076.db2.gz WPWLOQBPWSIURI-KBPBESRZSA-N 1 3 351.451 -1.254 20 0 FAADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000568783540 483658797 /nfs/dbraw/zinc/65/87/97/483658797.db2.gz WPWLOQBPWSIURI-KGLIPLIRSA-N 1 3 351.451 -1.254 20 0 FAADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000568783541 483658113 /nfs/dbraw/zinc/65/81/13/483658113.db2.gz WPWLOQBPWSIURI-UONOGXRCSA-N 1 3 351.451 -1.254 20 0 FAADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000568783542 483657950 /nfs/dbraw/zinc/65/79/50/483657950.db2.gz WPWLOQBPWSIURI-ZIAGYGMSSA-N 1 3 351.451 -1.254 20 0 FAADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000568783555 483658159 /nfs/dbraw/zinc/65/81/59/483658159.db2.gz XLBWBZLQIOOJGC-HZSPNIEDSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000568783555 483658155 /nfs/dbraw/zinc/65/81/55/483658155.db2.gz XLBWBZLQIOOJGC-HZSPNIEDSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000568783556 483658489 /nfs/dbraw/zinc/65/84/89/483658489.db2.gz XLBWBZLQIOOJGC-MCIONIFRSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000568783556 483658485 /nfs/dbraw/zinc/65/84/85/483658485.db2.gz XLBWBZLQIOOJGC-MCIONIFRSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000568783557 483658584 /nfs/dbraw/zinc/65/85/84/483658584.db2.gz XLBWBZLQIOOJGC-MGPQQGTHSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000568783557 483658580 /nfs/dbraw/zinc/65/85/80/483658580.db2.gz XLBWBZLQIOOJGC-MGPQQGTHSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000568783558 483658706 /nfs/dbraw/zinc/65/87/06/483658706.db2.gz XLBWBZLQIOOJGC-RDBSUJKOSA-N 1 3 351.451 -1.395 20 0 FAADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000568783558 483658701 /nfs/dbraw/zinc/65/87/01/483658701.db2.gz XLBWBZLQIOOJGC-RDBSUJKOSA-N 1 3 351.451 -1.395 20 0 FAADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000568902640 483660241 /nfs/dbraw/zinc/66/02/41/483660241.db2.gz RXCWXCGHODRNFB-KBPBESRZSA-N 1 3 353.467 -1.008 20 0 FAADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000568902641 483660144 /nfs/dbraw/zinc/66/01/44/483660144.db2.gz RXCWXCGHODRNFB-KGLIPLIRSA-N 1 3 353.467 -1.008 20 0 FAADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000568902642 483659483 /nfs/dbraw/zinc/65/94/83/483659483.db2.gz RXCWXCGHODRNFB-UONOGXRCSA-N 1 3 353.467 -1.008 20 0 FAADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000568902643 483660286 /nfs/dbraw/zinc/66/02/86/483660286.db2.gz RXCWXCGHODRNFB-ZIAGYGMSSA-N 1 3 353.467 -1.008 20 0 FAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000569003349 483660102 /nfs/dbraw/zinc/66/01/02/483660102.db2.gz MZHYWPCKKSEOFE-CVSAEHQPSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000569003351 483659842 /nfs/dbraw/zinc/65/98/42/483659842.db2.gz MZHYWPCKKSEOFE-NEXFUWMNSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000569003353 483660040 /nfs/dbraw/zinc/66/00/40/483660040.db2.gz MZHYWPCKKSEOFE-PFSRBDOWSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000569003356 483659713 /nfs/dbraw/zinc/65/97/13/483659713.db2.gz MZHYWPCKKSEOFE-WUCCLRPBSA-N 1 3 363.462 -1.110 20 0 FAADHO C[C@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000569197725 483660397 /nfs/dbraw/zinc/66/03/97/483660397.db2.gz GIFNCHIRRVFWQW-HNNXBMFYSA-N 1 3 357.499 -1.537 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238105 483661031 /nfs/dbraw/zinc/66/10/31/483661031.db2.gz OWHVATUWWDFCMY-AEGPPILISA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238105 483661027 /nfs/dbraw/zinc/66/10/27/483661027.db2.gz OWHVATUWWDFCMY-AEGPPILISA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238110 483661331 /nfs/dbraw/zinc/66/13/31/483661331.db2.gz OWHVATUWWDFCMY-BPLDGKMQSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238110 483661329 /nfs/dbraw/zinc/66/13/29/483661329.db2.gz OWHVATUWWDFCMY-BPLDGKMQSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238111 483661537 /nfs/dbraw/zinc/66/15/37/483661537.db2.gz OWHVATUWWDFCMY-NWANDNLSSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238111 483661534 /nfs/dbraw/zinc/66/15/34/483661534.db2.gz OWHVATUWWDFCMY-NWANDNLSSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238113 483661128 /nfs/dbraw/zinc/66/11/28/483661128.db2.gz OWHVATUWWDFCMY-VHDGCEQUSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000569238113 483661123 /nfs/dbraw/zinc/66/11/23/483661123.db2.gz OWHVATUWWDFCMY-VHDGCEQUSA-N 1 3 363.462 -1.110 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000569335734 482588338 /nfs/dbraw/zinc/58/83/38/482588338.db2.gz OVSHXIALSOGNGF-CABCVRRESA-N 1 3 352.483 -1.162 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000569335735 482587692 /nfs/dbraw/zinc/58/76/92/482587692.db2.gz OVSHXIALSOGNGF-GJZGRUSLSA-N 1 3 352.483 -1.162 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000569335736 482587674 /nfs/dbraw/zinc/58/76/74/482587674.db2.gz OVSHXIALSOGNGF-HUUCEWRRSA-N 1 3 352.483 -1.162 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000569335737 482588278 /nfs/dbraw/zinc/58/82/78/482588278.db2.gz OVSHXIALSOGNGF-LSDHHAIUSA-N 1 3 352.483 -1.162 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000569356937 482626659 /nfs/dbraw/zinc/62/66/59/482626659.db2.gz QRUIOOZEDPSKAY-ILXRZTDVSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000569356938 482627063 /nfs/dbraw/zinc/62/70/63/482627063.db2.gz QRUIOOZEDPSKAY-KFWWJZLASA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000569356939 482627117 /nfs/dbraw/zinc/62/71/17/482627117.db2.gz QRUIOOZEDPSKAY-QLFBSQMISA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000569356940 482626475 /nfs/dbraw/zinc/62/64/75/482626475.db2.gz QRUIOOZEDPSKAY-RBSFLKMASA-N 1 3 365.478 -1.007 20 0 FAADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000569603636 482650127 /nfs/dbraw/zinc/65/01/27/482650127.db2.gz UZHGSLZPBAFJBP-LLVKDONJSA-N 1 3 368.463 -1.454 20 0 FAADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000569603643 482649378 /nfs/dbraw/zinc/64/93/78/482649378.db2.gz UZHGSLZPBAFJBP-NSHDSACASA-N 1 3 368.463 -1.454 20 0 FAADHO C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCC1 ZINC000569625275 482685481 /nfs/dbraw/zinc/68/54/81/482685481.db2.gz OSYAQDXOESCWIV-KBPBESRZSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCC1 ZINC000569625275 482685474 /nfs/dbraw/zinc/68/54/74/482685474.db2.gz OSYAQDXOESCWIV-KBPBESRZSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCC1 ZINC000569625279 482686610 /nfs/dbraw/zinc/68/66/10/482686610.db2.gz OSYAQDXOESCWIV-KGLIPLIRSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCC1 ZINC000569625279 482686605 /nfs/dbraw/zinc/68/66/05/482686605.db2.gz OSYAQDXOESCWIV-KGLIPLIRSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCC1 ZINC000569625280 482686301 /nfs/dbraw/zinc/68/63/01/482686301.db2.gz OSYAQDXOESCWIV-UONOGXRCSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCC1 ZINC000569625280 482686298 /nfs/dbraw/zinc/68/62/98/482686298.db2.gz OSYAQDXOESCWIV-UONOGXRCSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCC1 ZINC000569625281 482687068 /nfs/dbraw/zinc/68/70/68/482687068.db2.gz OSYAQDXOESCWIV-ZIAGYGMSSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCC1 ZINC000569625281 482687065 /nfs/dbraw/zinc/68/70/65/482687065.db2.gz OSYAQDXOESCWIV-ZIAGYGMSSA-N 1 3 351.451 -1.253 20 0 FAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000570583812 482723516 /nfs/dbraw/zinc/72/35/16/482723516.db2.gz LMRGFKDQBGOYSL-KBPBESRZSA-N 1 3 351.451 -1.251 20 0 FAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000570583813 482723852 /nfs/dbraw/zinc/72/38/52/482723852.db2.gz LMRGFKDQBGOYSL-KGLIPLIRSA-N 1 3 351.451 -1.251 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000570583814 482723626 /nfs/dbraw/zinc/72/36/26/482723626.db2.gz LMRGFKDQBGOYSL-UONOGXRCSA-N 1 3 351.451 -1.251 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000570583815 482723670 /nfs/dbraw/zinc/72/36/70/482723670.db2.gz LMRGFKDQBGOYSL-ZIAGYGMSSA-N 1 3 351.451 -1.251 20 0 FAADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000570865869 482729973 /nfs/dbraw/zinc/72/99/73/482729973.db2.gz DCRYHZAQLTYMMK-KBPBESRZSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000570865869 482729970 /nfs/dbraw/zinc/72/99/70/482729970.db2.gz DCRYHZAQLTYMMK-KBPBESRZSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000570865871 482729322 /nfs/dbraw/zinc/72/93/22/482729322.db2.gz DCRYHZAQLTYMMK-KGLIPLIRSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000570865871 482729312 /nfs/dbraw/zinc/72/93/12/482729312.db2.gz DCRYHZAQLTYMMK-KGLIPLIRSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000570865872 482729740 /nfs/dbraw/zinc/72/97/40/482729740.db2.gz DCRYHZAQLTYMMK-UONOGXRCSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000570865872 482729736 /nfs/dbraw/zinc/72/97/36/482729736.db2.gz DCRYHZAQLTYMMK-UONOGXRCSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000570865873 482729959 /nfs/dbraw/zinc/72/99/59/482729959.db2.gz DCRYHZAQLTYMMK-ZIAGYGMSSA-N 1 3 351.451 -1.253 20 0 FAADHO C[N@H+](CCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000570865873 482729957 /nfs/dbraw/zinc/72/99/57/482729957.db2.gz DCRYHZAQLTYMMK-ZIAGYGMSSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000570912825 482731493 /nfs/dbraw/zinc/73/14/93/482731493.db2.gz HIEVVNPDWAUIEW-AWEZNQCLSA-N 1 3 353.467 -1.133 20 0 FAADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000570912826 482731258 /nfs/dbraw/zinc/73/12/58/482731258.db2.gz HIEVVNPDWAUIEW-CQSZACIVSA-N 1 3 353.467 -1.133 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000570927576 482730558 /nfs/dbraw/zinc/73/05/58/482730558.db2.gz HZEPJBMDBYJIFP-UHFFFAOYSA-N 1 3 357.499 -1.271 20 0 FAADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000570954275 482779176 /nfs/dbraw/zinc/77/91/76/482779176.db2.gz RRMOMAJWDZNSFI-AWEZNQCLSA-N 1 3 351.451 -1.297 20 0 FAADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000570954276 482779889 /nfs/dbraw/zinc/77/98/89/482779889.db2.gz RRMOMAJWDZNSFI-CQSZACIVSA-N 1 3 351.451 -1.297 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000571114709 482955318 /nfs/dbraw/zinc/95/53/18/482955318.db2.gz BQOIFCGORIDEKK-UHFFFAOYSA-N 1 3 354.411 -1.659 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000571395079 482960461 /nfs/dbraw/zinc/96/04/61/482960461.db2.gz WQCFVNLJVQHDIM-QLFBSQMISA-N 1 3 363.462 -1.571 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000571395080 482960408 /nfs/dbraw/zinc/96/04/08/482960408.db2.gz WQCFVNLJVQHDIM-ZNMIVQPWSA-N 1 3 363.462 -1.571 20 0 FAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572111830 483305682 /nfs/dbraw/zinc/30/56/82/483305682.db2.gz YADUGSAOATUOCD-INIZCTEOSA-N 1 3 368.526 -1.556 20 0 FAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572111831 483305471 /nfs/dbraw/zinc/30/54/71/483305471.db2.gz YADUGSAOATUOCD-MRXNPFEDSA-N 1 3 368.526 -1.556 20 0 FAADHO CN1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](CN)C1 ZINC000572228106 483306437 /nfs/dbraw/zinc/30/64/37/483306437.db2.gz JCUDFADBOZAOJT-HNNXBMFYSA-N 1 3 367.494 -1.151 20 0 FAADHO CN1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](CN)C1 ZINC000572228107 483307046 /nfs/dbraw/zinc/30/70/46/483307046.db2.gz JCUDFADBOZAOJT-OAHLLOKOSA-N 1 3 367.494 -1.151 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000572945507 483662465 /nfs/dbraw/zinc/66/24/65/483662465.db2.gz XUNQCKWBAFPLBB-KBPBESRZSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000572945508 483662138 /nfs/dbraw/zinc/66/21/38/483662138.db2.gz XUNQCKWBAFPLBB-KGLIPLIRSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000572945509 483662392 /nfs/dbraw/zinc/66/23/92/483662392.db2.gz XUNQCKWBAFPLBB-UONOGXRCSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000572945510 483662319 /nfs/dbraw/zinc/66/23/19/483662319.db2.gz XUNQCKWBAFPLBB-ZIAGYGMSSA-N 1 3 351.451 -1.380 20 0 FAADHO CN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000572990637 483662160 /nfs/dbraw/zinc/66/21/60/483662160.db2.gz SPMVUTDAWHFBCN-KBPBESRZSA-N 1 3 367.450 -2.456 20 0 FAADHO C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1(C)C ZINC000573140939 483662817 /nfs/dbraw/zinc/66/28/17/483662817.db2.gz LGYHQQPWDLUMRI-KBPBESRZSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1(C)C ZINC000573140939 483662815 /nfs/dbraw/zinc/66/28/15/483662815.db2.gz LGYHQQPWDLUMRI-KBPBESRZSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1(C)C ZINC000573140940 483662913 /nfs/dbraw/zinc/66/29/13/483662913.db2.gz LGYHQQPWDLUMRI-KGLIPLIRSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1(C)C ZINC000573140940 483662911 /nfs/dbraw/zinc/66/29/11/483662911.db2.gz LGYHQQPWDLUMRI-KGLIPLIRSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1(C)C ZINC000573140941 483663206 /nfs/dbraw/zinc/66/32/06/483663206.db2.gz LGYHQQPWDLUMRI-UONOGXRCSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1(C)C ZINC000573140941 483663203 /nfs/dbraw/zinc/66/32/03/483663203.db2.gz LGYHQQPWDLUMRI-UONOGXRCSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1(C)C ZINC000573140942 483663171 /nfs/dbraw/zinc/66/31/71/483663171.db2.gz LGYHQQPWDLUMRI-ZIAGYGMSSA-N 1 3 352.483 -1.034 20 0 FAADHO C[N@@H+]1CCN(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1(C)C ZINC000573140942 483663168 /nfs/dbraw/zinc/66/31/68/483663168.db2.gz LGYHQQPWDLUMRI-ZIAGYGMSSA-N 1 3 352.483 -1.034 20 0 FAADHO COCCN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000573303114 483662829 /nfs/dbraw/zinc/66/28/29/483662829.db2.gz TYFATAPKLXPNMQ-UHFFFAOYSA-N 1 3 357.499 -1.271 20 0 FAADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000573982709 483665098 /nfs/dbraw/zinc/66/50/98/483665098.db2.gz CUQSBZYXMTWGAS-CABCVRRESA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000573982710 483665192 /nfs/dbraw/zinc/66/51/92/483665192.db2.gz CUQSBZYXMTWGAS-GJZGRUSLSA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000573982711 483665167 /nfs/dbraw/zinc/66/51/67/483665167.db2.gz CUQSBZYXMTWGAS-HUUCEWRRSA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000573982712 483665322 /nfs/dbraw/zinc/66/53/22/483665322.db2.gz CUQSBZYXMTWGAS-LSDHHAIUSA-N 1 3 365.478 -1.007 20 0 FAADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574340878 483666156 /nfs/dbraw/zinc/66/61/56/483666156.db2.gz ZKTMZUKXBDSDFR-IHRRRGAJSA-N 1 3 365.478 -1.007 20 0 FAADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574340879 483665860 /nfs/dbraw/zinc/66/58/60/483665860.db2.gz ZKTMZUKXBDSDFR-MCIONIFRSA-N 1 3 365.478 -1.007 20 0 FAADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574340880 483665868 /nfs/dbraw/zinc/66/58/68/483665868.db2.gz ZKTMZUKXBDSDFR-MJBXVCDLSA-N 1 3 365.478 -1.007 20 0 FAADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574340881 483665790 /nfs/dbraw/zinc/66/57/90/483665790.db2.gz ZKTMZUKXBDSDFR-RDBSUJKOSA-N 1 3 365.478 -1.007 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000574499002 483666651 /nfs/dbraw/zinc/66/66/51/483666651.db2.gz QTKWPTVZRMELAD-KRWDZBQOSA-N 1 3 356.467 -1.044 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000574499003 483666765 /nfs/dbraw/zinc/66/67/65/483666765.db2.gz QTKWPTVZRMELAD-QGZVFWFLSA-N 1 3 356.467 -1.044 20 0 FAADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000574510986 483666785 /nfs/dbraw/zinc/66/67/85/483666785.db2.gz LCEKUIBLYLNSSZ-KBPBESRZSA-N 1 3 351.451 -1.441 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000574510987 483667009 /nfs/dbraw/zinc/66/70/09/483667009.db2.gz LCEKUIBLYLNSSZ-KGLIPLIRSA-N 1 3 351.451 -1.441 20 0 FAADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H]1[NH3+] ZINC000574510988 483666981 /nfs/dbraw/zinc/66/69/81/483666981.db2.gz LCEKUIBLYLNSSZ-UONOGXRCSA-N 1 3 351.451 -1.441 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H]1[NH3+] ZINC000574510989 483666868 /nfs/dbraw/zinc/66/68/68/483666868.db2.gz LCEKUIBLYLNSSZ-ZIAGYGMSSA-N 1 3 351.451 -1.441 20 0 FAADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000574514740 483667021 /nfs/dbraw/zinc/66/70/21/483667021.db2.gz CGFDEKTZNDACCB-AWEZNQCLSA-N 1 3 351.451 -1.379 20 0 FAADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000574514743 483667048 /nfs/dbraw/zinc/66/70/48/483667048.db2.gz CGFDEKTZNDACCB-CQSZACIVSA-N 1 3 351.451 -1.379 20 0 FAADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000574533181 483666563 /nfs/dbraw/zinc/66/65/63/483666563.db2.gz DSJIRAZGJMGZOJ-KBPBESRZSA-N 1 3 365.478 -1.005 20 0 FAADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000574533184 483666598 /nfs/dbraw/zinc/66/65/98/483666598.db2.gz DSJIRAZGJMGZOJ-KGLIPLIRSA-N 1 3 365.478 -1.005 20 0 FAADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000574533185 483666744 /nfs/dbraw/zinc/66/67/44/483666744.db2.gz DSJIRAZGJMGZOJ-UONOGXRCSA-N 1 3 365.478 -1.005 20 0 FAADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000574533186 483666826 /nfs/dbraw/zinc/66/68/26/483666826.db2.gz DSJIRAZGJMGZOJ-ZIAGYGMSSA-N 1 3 365.478 -1.005 20 0 FAADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000574585398 483666776 /nfs/dbraw/zinc/66/67/76/483666776.db2.gz VJJKLMPIBWYURH-CRWXNKLISA-N 1 3 351.451 -1.254 20 0 FAADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000574585399 483666552 /nfs/dbraw/zinc/66/65/52/483666552.db2.gz VJJKLMPIBWYURH-DGAVXFQQSA-N 1 3 351.451 -1.254 20 0 FAADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000574585400 483667071 /nfs/dbraw/zinc/66/70/71/483667071.db2.gz VJJKLMPIBWYURH-REWJHTLYSA-N 1 3 351.451 -1.254 20 0 FAADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000574585401 483666751 /nfs/dbraw/zinc/66/67/51/483666751.db2.gz VJJKLMPIBWYURH-RFQIPJPRSA-N 1 3 351.451 -1.254 20 0 FAADHO C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000574689492 483667424 /nfs/dbraw/zinc/66/74/24/483667424.db2.gz JUHQTDIHXHDVPJ-KGLIPLIRSA-N 1 3 353.467 -1.039 20 0 FAADHO C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000574689494 483667551 /nfs/dbraw/zinc/66/75/51/483667551.db2.gz JUHQTDIHXHDVPJ-ZIAGYGMSSA-N 1 3 353.467 -1.039 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000574981607 482782046 /nfs/dbraw/zinc/78/20/46/482782046.db2.gz UGLGBIULNIJPRU-ILXRZTDVSA-N 1 3 363.462 -1.428 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000574981608 482781694 /nfs/dbraw/zinc/78/16/94/482781694.db2.gz UGLGBIULNIJPRU-KFWWJZLASA-N 1 3 363.462 -1.428 20 0 FAADHO CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576416221 483670307 /nfs/dbraw/zinc/67/03/07/483670307.db2.gz HEENGKZMQAPFJR-UHFFFAOYSA-N 1 3 366.532 -1.046 20 0 FAADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577192150 483672398 /nfs/dbraw/zinc/67/23/98/483672398.db2.gz AMOIOJAOKZNQAB-KKUMJFAQSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577192152 483672713 /nfs/dbraw/zinc/67/27/13/483672713.db2.gz AMOIOJAOKZNQAB-RRFJBIMHSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577192154 483672865 /nfs/dbraw/zinc/67/28/65/483672865.db2.gz AMOIOJAOKZNQAB-SOUVJXGZSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577192156 483672444 /nfs/dbraw/zinc/67/24/44/483672444.db2.gz AMOIOJAOKZNQAB-ZNMIVQPWSA-N 1 3 365.478 -1.007 20 0 FAADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000577412601 483673527 /nfs/dbraw/zinc/67/35/27/483673527.db2.gz UOZKOPINIWZFFV-CABCVRRESA-N 1 3 352.483 -1.034 20 0 FAADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000577412611 483673482 /nfs/dbraw/zinc/67/34/82/483673482.db2.gz UOZKOPINIWZFFV-GJZGRUSLSA-N 1 3 352.483 -1.034 20 0 FAADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000577412613 483673432 /nfs/dbraw/zinc/67/34/32/483673432.db2.gz UOZKOPINIWZFFV-HUUCEWRRSA-N 1 3 352.483 -1.034 20 0 FAADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000577412619 483673334 /nfs/dbraw/zinc/67/33/34/483673334.db2.gz UOZKOPINIWZFFV-LSDHHAIUSA-N 1 3 352.483 -1.034 20 0 FAADHO C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000577871775 483674673 /nfs/dbraw/zinc/67/46/73/483674673.db2.gz GDVMGCWMQFWEAI-UHFFFAOYSA-N 1 3 365.478 -1.037 20 0 FAADHO CC(CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000577885407 483674882 /nfs/dbraw/zinc/67/48/82/483674882.db2.gz IQLKKOAFTAXVTK-VGWMRTNUSA-N 1 3 370.494 -1.331 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000578101169 483679122 /nfs/dbraw/zinc/67/91/22/483679122.db2.gz UCUMNLQNYUZTLB-UHFFFAOYSA-N 1 3 369.510 -1.081 20 0 FAADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578380951 483680241 /nfs/dbraw/zinc/68/02/41/483680241.db2.gz LMNKZAOFSTUAQT-BARDWOONSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578380951 483680240 /nfs/dbraw/zinc/68/02/40/483680240.db2.gz LMNKZAOFSTUAQT-BARDWOONSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578380952 483680204 /nfs/dbraw/zinc/68/02/04/483680204.db2.gz LMNKZAOFSTUAQT-CBBWQLFWSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578380952 483680202 /nfs/dbraw/zinc/68/02/02/483680202.db2.gz LMNKZAOFSTUAQT-CBBWQLFWSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578380953 483680195 /nfs/dbraw/zinc/68/01/95/483680195.db2.gz LMNKZAOFSTUAQT-LXTVHRRPSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578380953 483680193 /nfs/dbraw/zinc/68/01/93/483680193.db2.gz LMNKZAOFSTUAQT-LXTVHRRPSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578380954 483679825 /nfs/dbraw/zinc/67/98/25/483679825.db2.gz LMNKZAOFSTUAQT-QPSCCSFWSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578380954 483679822 /nfs/dbraw/zinc/67/98/22/483679822.db2.gz LMNKZAOFSTUAQT-QPSCCSFWSA-N 1 3 365.478 -1.007 20 0 FAADHO CN(C)[C@H]1CN(C(=O)COCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000578680171 483681009 /nfs/dbraw/zinc/68/10/09/483681009.db2.gz GFTJHBSPGYXXBX-XUXIUFHCSA-N 1 3 358.439 -2.730 20 0 FAADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCSC1 ZINC000578884593 483680598 /nfs/dbraw/zinc/68/05/98/483680598.db2.gz RBNGZHZADVEZER-HSMVNMDESA-N 1 3 369.491 -1.690 20 0 FAADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCSC1 ZINC000578884594 483680930 /nfs/dbraw/zinc/68/09/30/483680930.db2.gz RBNGZHZADVEZER-MKBNYLNASA-N 1 3 369.491 -1.690 20 0 FAADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCSC1 ZINC000578884595 483680771 /nfs/dbraw/zinc/68/07/71/483680771.db2.gz RBNGZHZADVEZER-OZVIIMIRSA-N 1 3 369.491 -1.690 20 0 FAADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCSC1 ZINC000578884596 483680843 /nfs/dbraw/zinc/68/08/43/483680843.db2.gz RBNGZHZADVEZER-WQGACYEGSA-N 1 3 369.491 -1.690 20 0 FAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579000304 483681671 /nfs/dbraw/zinc/68/16/71/483681671.db2.gz HMOJFCHBDODOLB-KBPBESRZSA-N 1 3 353.467 -1.087 20 0 FAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000579000316 483681352 /nfs/dbraw/zinc/68/13/52/483681352.db2.gz HMOJFCHBDODOLB-KGLIPLIRSA-N 1 3 353.467 -1.087 20 0 FAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579000317 483681505 /nfs/dbraw/zinc/68/15/05/483681505.db2.gz HMOJFCHBDODOLB-UONOGXRCSA-N 1 3 353.467 -1.087 20 0 FAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 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CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000583333852 482530578 /nfs/dbraw/zinc/53/05/78/482530578.db2.gz HKCBDTLVRKXLPN-GJZGRUSLSA-N 1 3 365.478 -1.005 20 0 FAADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000583333853 482531381 /nfs/dbraw/zinc/53/13/81/482531381.db2.gz HKCBDTLVRKXLPN-HUUCEWRRSA-N 1 3 365.478 -1.005 20 0 FAADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000583333854 482530533 /nfs/dbraw/zinc/53/05/33/482530533.db2.gz HKCBDTLVRKXLPN-LSDHHAIUSA-N 1 3 365.478 -1.005 20 0 FAADHO CN(CCC[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000583576150 483134036 /nfs/dbraw/zinc/13/40/36/483134036.db2.gz FTSDXXGEGRPGHG-UHFFFAOYSA-N 1 3 355.483 -1.294 20 0 FAADHO CN1CCC(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)(N2CCOCC2)CC1 ZINC000583576476 483133598 /nfs/dbraw/zinc/13/35/98/483133598.db2.gz RISAISGELIUJBE-AWEZNQCLSA-N 1 3 353.467 -1.623 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000583625133 483145911 /nfs/dbraw/zinc/14/59/11/483145911.db2.gz JSSMAQBOTUEGTA-UHFFFAOYSA-N 1 3 351.451 -1.425 20 0 FAADHO COCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000584067158 482562050 /nfs/dbraw/zinc/56/20/50/482562050.db2.gz FKWQOKPIAUSHJP-INIZCTEOSA-N 1 3 369.510 -1.035 20 0 FAADHO COCCN1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000584067158 482562044 /nfs/dbraw/zinc/56/20/44/482562044.db2.gz FKWQOKPIAUSHJP-INIZCTEOSA-N 1 3 369.510 -1.035 20 0 FAADHO COCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000584067159 482562636 /nfs/dbraw/zinc/56/26/36/482562636.db2.gz FKWQOKPIAUSHJP-MRXNPFEDSA-N 1 3 369.510 -1.035 20 0 FAADHO COCCN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000584067159 482562633 /nfs/dbraw/zinc/56/26/33/482562633.db2.gz FKWQOKPIAUSHJP-MRXNPFEDSA-N 1 3 369.510 -1.035 20 0 FAADHO CN(C)[C@H]1CN(C(=O)CCCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000584360251 483263052 /nfs/dbraw/zinc/26/30/52/483263052.db2.gz BHBSLAMTAOWRQO-AJNGGQMLSA-N 1 3 356.467 -1.577 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000584362045 483263474 /nfs/dbraw/zinc/26/34/74/483263474.db2.gz LJCOWHFLTCPLAI-GHMZBOCLSA-N 1 3 350.427 -2.312 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000584362046 483263427 /nfs/dbraw/zinc/26/34/27/483263427.db2.gz LJCOWHFLTCPLAI-MNOVXSKESA-N 1 3 350.427 -2.312 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000584362047 483263298 /nfs/dbraw/zinc/26/32/98/483263298.db2.gz LJCOWHFLTCPLAI-QWRGUYRKSA-N 1 3 350.427 -2.312 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000584362048 483263380 /nfs/dbraw/zinc/26/33/80/483263380.db2.gz LJCOWHFLTCPLAI-WDEREUQCSA-N 1 3 350.427 -2.312 20 0 FAADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595277756 482828203 /nfs/dbraw/zinc/82/82/03/482828203.db2.gz QLGIFQJNHHPCDA-HZSPNIEDSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595277757 482827926 /nfs/dbraw/zinc/82/79/26/482827926.db2.gz QLGIFQJNHHPCDA-MCIONIFRSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595277758 482828169 /nfs/dbraw/zinc/82/81/69/482828169.db2.gz QLGIFQJNHHPCDA-MGPQQGTHSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595277759 482828582 /nfs/dbraw/zinc/82/85/82/482828582.db2.gz QLGIFQJNHHPCDA-RDBSUJKOSA-N 1 3 351.451 -1.253 20 0 FAADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595278430 482828228 /nfs/dbraw/zinc/82/82/28/482828228.db2.gz RNJHEHMAYFXJEP-ILXRZTDVSA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595278430 482828224 /nfs/dbraw/zinc/82/82/24/482828224.db2.gz RNJHEHMAYFXJEP-ILXRZTDVSA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595278431 482827443 /nfs/dbraw/zinc/82/74/43/482827443.db2.gz RNJHEHMAYFXJEP-KFWWJZLASA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595278431 482827439 /nfs/dbraw/zinc/82/74/39/482827439.db2.gz RNJHEHMAYFXJEP-KFWWJZLASA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595278432 482827734 /nfs/dbraw/zinc/82/77/34/482827734.db2.gz RNJHEHMAYFXJEP-QLFBSQMISA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595278432 482827728 /nfs/dbraw/zinc/82/77/28/482827728.db2.gz RNJHEHMAYFXJEP-QLFBSQMISA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595278433 482827608 /nfs/dbraw/zinc/82/76/08/482827608.db2.gz RNJHEHMAYFXJEP-RBSFLKMASA-N 1 3 365.478 -1.007 20 0 FAADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595278433 482827602 /nfs/dbraw/zinc/82/76/02/482827602.db2.gz RNJHEHMAYFXJEP-RBSFLKMASA-N 1 3 365.478 -1.007 20 0 FAADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595279299 482828260 /nfs/dbraw/zinc/82/82/60/482828260.db2.gz HSQSXOZJDLGSFF-CVSAEHQPSA-N 1 3 365.478 -1.007 20 0 FAADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595279301 482827802 /nfs/dbraw/zinc/82/78/02/482827802.db2.gz HSQSXOZJDLGSFF-NEXFUWMNSA-N 1 3 365.478 -1.007 20 0 FAADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595279303 482828276 /nfs/dbraw/zinc/82/82/76/482828276.db2.gz HSQSXOZJDLGSFF-PFSRBDOWSA-N 1 3 365.478 -1.007 20 0 FAADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595279304 482828529 /nfs/dbraw/zinc/82/85/29/482828529.db2.gz HSQSXOZJDLGSFF-WUCCLRPBSA-N 1 3 365.478 -1.007 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000595279529 482827469 /nfs/dbraw/zinc/82/74/69/482827469.db2.gz METFFTLBYUERNC-FPMFFAJLSA-N 1 3 351.451 -1.397 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000595279530 482828707 /nfs/dbraw/zinc/82/87/07/482828707.db2.gz METFFTLBYUERNC-IACUBPJLSA-N 1 3 351.451 -1.397 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000595279531 482827985 /nfs/dbraw/zinc/82/79/85/482827985.db2.gz METFFTLBYUERNC-UBHSHLNASA-N 1 3 351.451 -1.397 20 0 FAADHO C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000595279532 482827458 /nfs/dbraw/zinc/82/74/58/482827458.db2.gz METFFTLBYUERNC-YUTCNCBUSA-N 1 3 351.451 -1.397 20 0 FAADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595279847 482827233 /nfs/dbraw/zinc/82/72/33/482827233.db2.gz XDEXPOLQBYQVKY-HZSPNIEDSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595279847 482827229 /nfs/dbraw/zinc/82/72/29/482827229.db2.gz XDEXPOLQBYQVKY-HZSPNIEDSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595279848 482828308 /nfs/dbraw/zinc/82/83/08/482828308.db2.gz XDEXPOLQBYQVKY-MCIONIFRSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595279848 482828303 /nfs/dbraw/zinc/82/83/03/482828303.db2.gz XDEXPOLQBYQVKY-MCIONIFRSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595279849 482827897 /nfs/dbraw/zinc/82/78/97/482827897.db2.gz XDEXPOLQBYQVKY-MGPQQGTHSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595279849 482827891 /nfs/dbraw/zinc/82/78/91/482827891.db2.gz XDEXPOLQBYQVKY-MGPQQGTHSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595279850 482828058 /nfs/dbraw/zinc/82/80/58/482828058.db2.gz XDEXPOLQBYQVKY-RDBSUJKOSA-N 1 3 351.451 -1.253 20 0 FAADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595279850 482828052 /nfs/dbraw/zinc/82/80/52/482828052.db2.gz XDEXPOLQBYQVKY-RDBSUJKOSA-N 1 3 351.451 -1.253 20 0 FAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595280917 482828785 /nfs/dbraw/zinc/82/87/85/482828785.db2.gz AQWSOOLFEFWBNC-CABCVRRESA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595280919 482827189 /nfs/dbraw/zinc/82/71/89/482827189.db2.gz AQWSOOLFEFWBNC-GJZGRUSLSA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595280921 482827177 /nfs/dbraw/zinc/82/71/77/482827177.db2.gz AQWSOOLFEFWBNC-HUUCEWRRSA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000595280922 482830359 /nfs/dbraw/zinc/83/03/59/482830359.db2.gz AQWSOOLFEFWBNC-LSDHHAIUSA-N 1 3 363.462 -1.253 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595284488 482829780 /nfs/dbraw/zinc/82/97/80/482829780.db2.gz RXZJWIWTSSTIBI-APIJFGDWSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595284488 482829776 /nfs/dbraw/zinc/82/97/76/482829776.db2.gz RXZJWIWTSSTIBI-APIJFGDWSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595284489 482830630 /nfs/dbraw/zinc/83/06/30/482830630.db2.gz RXZJWIWTSSTIBI-KBUPBQIOSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595284489 482830627 /nfs/dbraw/zinc/83/06/27/482830627.db2.gz RXZJWIWTSSTIBI-KBUPBQIOSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595284490 482830391 /nfs/dbraw/zinc/83/03/91/482830391.db2.gz RXZJWIWTSSTIBI-KBXIAJHMSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595284490 482830387 /nfs/dbraw/zinc/83/03/87/482830387.db2.gz RXZJWIWTSSTIBI-KBXIAJHMSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595284491 482829951 /nfs/dbraw/zinc/82/99/51/482829951.db2.gz RXZJWIWTSSTIBI-TUVASFSCSA-N 1 3 363.462 -1.110 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595284491 482829943 /nfs/dbraw/zinc/82/99/43/482829943.db2.gz RXZJWIWTSSTIBI-TUVASFSCSA-N 1 3 363.462 -1.110 20 0 FAADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595285062 482829278 /nfs/dbraw/zinc/82/92/78/482829278.db2.gz ZLSSBPNZYOMZJO-KBPBESRZSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595285062 482829274 /nfs/dbraw/zinc/82/92/74/482829274.db2.gz ZLSSBPNZYOMZJO-KBPBESRZSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595285064 482829819 /nfs/dbraw/zinc/82/98/19/482829819.db2.gz ZLSSBPNZYOMZJO-KGLIPLIRSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595285064 482829814 /nfs/dbraw/zinc/82/98/14/482829814.db2.gz ZLSSBPNZYOMZJO-KGLIPLIRSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595285066 482830225 /nfs/dbraw/zinc/83/02/25/482830225.db2.gz ZLSSBPNZYOMZJO-UONOGXRCSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595285066 482830218 /nfs/dbraw/zinc/83/02/18/482830218.db2.gz ZLSSBPNZYOMZJO-UONOGXRCSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595285068 482830579 /nfs/dbraw/zinc/83/05/79/482830579.db2.gz ZLSSBPNZYOMZJO-ZIAGYGMSSA-N 1 3 353.467 -1.149 20 0 FAADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595285068 482830575 /nfs/dbraw/zinc/83/05/75/482830575.db2.gz ZLSSBPNZYOMZJO-ZIAGYGMSSA-N 1 3 353.467 -1.149 20 0 FAADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595979433 482835672 /nfs/dbraw/zinc/83/56/72/482835672.db2.gz DSEQCRROQWFFFB-APIJFGDWSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595979433 482835667 /nfs/dbraw/zinc/83/56/67/482835667.db2.gz DSEQCRROQWFFFB-APIJFGDWSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595979434 482835175 /nfs/dbraw/zinc/83/51/75/482835175.db2.gz DSEQCRROQWFFFB-CBBWQLFWSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595979434 482835169 /nfs/dbraw/zinc/83/51/69/482835169.db2.gz DSEQCRROQWFFFB-CBBWQLFWSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595979435 482835013 /nfs/dbraw/zinc/83/50/13/482835013.db2.gz DSEQCRROQWFFFB-KBUPBQIOSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595979435 482835012 /nfs/dbraw/zinc/83/50/12/482835012.db2.gz DSEQCRROQWFFFB-KBUPBQIOSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595979436 482835196 /nfs/dbraw/zinc/83/51/96/482835196.db2.gz DSEQCRROQWFFFB-LXTVHRRPSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595979436 482835191 /nfs/dbraw/zinc/83/51/91/482835191.db2.gz DSEQCRROQWFFFB-LXTVHRRPSA-N 1 3 363.462 -1.301 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595980137 482835826 /nfs/dbraw/zinc/83/58/26/482835826.db2.gz GIVZXPPBTGRAEI-QLFBSQMISA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595980138 482835318 /nfs/dbraw/zinc/83/53/18/482835318.db2.gz GIVZXPPBTGRAEI-RBSFLKMASA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595980139 482835929 /nfs/dbraw/zinc/83/59/29/482835929.db2.gz GIVZXPPBTGRAEI-RRFJBIMHSA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595980140 482835878 /nfs/dbraw/zinc/83/58/78/482835878.db2.gz GIVZXPPBTGRAEI-SOUVJXGZSA-N 1 3 363.462 -1.156 20 0 FAADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595980531 482835700 /nfs/dbraw/zinc/83/57/00/482835700.db2.gz JHQMVVMIILECKZ-KBPBESRZSA-N 1 3 363.462 -1.156 20 0 FAADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595980532 482835735 /nfs/dbraw/zinc/83/57/35/482835735.db2.gz JHQMVVMIILECKZ-KGLIPLIRSA-N 1 3 363.462 -1.156 20 0 FAADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595980533 482835464 /nfs/dbraw/zinc/83/54/64/482835464.db2.gz JHQMVVMIILECKZ-UONOGXRCSA-N 1 3 363.462 -1.156 20 0 FAADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595980534 482835651 /nfs/dbraw/zinc/83/56/51/482835651.db2.gz JHQMVVMIILECKZ-ZIAGYGMSSA-N 1 3 363.462 -1.156 20 0 FAADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595980948 482834979 /nfs/dbraw/zinc/83/49/79/482834979.db2.gz LSTYFNIQCXDELQ-CABCVRRESA-N 1 3 365.478 -1.053 20 0 FAADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595980949 482835989 /nfs/dbraw/zinc/83/59/89/482835989.db2.gz LSTYFNIQCXDELQ-GJZGRUSLSA-N 1 3 365.478 -1.053 20 0 FAADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595980950 482835757 /nfs/dbraw/zinc/83/57/57/482835757.db2.gz LSTYFNIQCXDELQ-HUUCEWRRSA-N 1 3 365.478 -1.053 20 0 FAADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595980951 482835640 /nfs/dbraw/zinc/83/56/40/482835640.db2.gz LSTYFNIQCXDELQ-LSDHHAIUSA-N 1 3 365.478 -1.053 20 0 FAADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595981004 482835051 /nfs/dbraw/zinc/83/50/51/482835051.db2.gz MPIVCINRYRUREX-BFHYXJOUSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595981004 482835045 /nfs/dbraw/zinc/83/50/45/482835045.db2.gz MPIVCINRYRUREX-BFHYXJOUSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595981005 482836023 /nfs/dbraw/zinc/83/60/23/482836023.db2.gz MPIVCINRYRUREX-IHRRRGAJSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595981005 482836019 /nfs/dbraw/zinc/83/60/19/482836019.db2.gz MPIVCINRYRUREX-IHRRRGAJSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595981006 482836105 /nfs/dbraw/zinc/83/61/05/482836105.db2.gz MPIVCINRYRUREX-MELADBBJSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595981006 482836101 /nfs/dbraw/zinc/83/61/01/482836101.db2.gz MPIVCINRYRUREX-MELADBBJSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595981007 482835896 /nfs/dbraw/zinc/83/58/96/482835896.db2.gz MPIVCINRYRUREX-MJBXVCDLSA-N 1 3 351.451 -1.443 20 0 FAADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595981007 482835892 /nfs/dbraw/zinc/83/58/92/482835892.db2.gz MPIVCINRYRUREX-MJBXVCDLSA-N 1 3 351.451 -1.443 20 0 FAADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595981014 482835288 /nfs/dbraw/zinc/83/52/88/482835288.db2.gz MTGVHMBSTPSRHT-KKUMJFAQSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595981014 482835282 /nfs/dbraw/zinc/83/52/82/482835282.db2.gz MTGVHMBSTPSRHT-KKUMJFAQSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595981015 482836069 /nfs/dbraw/zinc/83/60/69/482836069.db2.gz MTGVHMBSTPSRHT-RRFJBIMHSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595981015 482836066 /nfs/dbraw/zinc/83/60/66/482836066.db2.gz MTGVHMBSTPSRHT-RRFJBIMHSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595981016 482835947 /nfs/dbraw/zinc/83/59/47/482835947.db2.gz MTGVHMBSTPSRHT-SOUVJXGZSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595981016 482835945 /nfs/dbraw/zinc/83/59/45/482835945.db2.gz MTGVHMBSTPSRHT-SOUVJXGZSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595981017 482836121 /nfs/dbraw/zinc/83/61/21/482836121.db2.gz MTGVHMBSTPSRHT-ZNMIVQPWSA-N 1 3 365.478 -1.053 20 0 FAADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595981017 482836118 /nfs/dbraw/zinc/83/61/18/482836118.db2.gz MTGVHMBSTPSRHT-ZNMIVQPWSA-N 1 3 365.478 -1.053 20 0 FAADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595981050 482835485 /nfs/dbraw/zinc/83/54/85/482835485.db2.gz NMOBHHMHGBOYGE-KBPBESRZSA-N 1 3 353.467 -1.053 20 0 FAADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595981051 482835727 /nfs/dbraw/zinc/83/57/27/482835727.db2.gz NMOBHHMHGBOYGE-KGLIPLIRSA-N 1 3 353.467 -1.053 20 0 FAADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595981052 482834890 /nfs/dbraw/zinc/83/48/90/482834890.db2.gz NMOBHHMHGBOYGE-UONOGXRCSA-N 1 3 353.467 -1.053 20 0 FAADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595981053 482835617 /nfs/dbraw/zinc/83/56/17/482835617.db2.gz NMOBHHMHGBOYGE-ZIAGYGMSSA-N 1 3 353.467 -1.053 20 0 FAADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595981157 482835221 /nfs/dbraw/zinc/83/52/21/482835221.db2.gz NQBUSRSEVSOCCI-BPLDGKMQSA-N 1 3 365.478 -1.055 20 0 FAADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595981159 482835779 /nfs/dbraw/zinc/83/57/79/482835779.db2.gz NQBUSRSEVSOCCI-SNPRPXQTSA-N 1 3 365.478 -1.055 20 0 FAADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595981162 482835298 /nfs/dbraw/zinc/83/52/98/482835298.db2.gz NQBUSRSEVSOCCI-VHDGCEQUSA-N 1 3 365.478 -1.055 20 0 FAADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595981164 482835427 /nfs/dbraw/zinc/83/54/27/482835427.db2.gz NQBUSRSEVSOCCI-YUELXQCFSA-N 1 3 365.478 -1.055 20 0 FAADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981765 482837794 /nfs/dbraw/zinc/83/77/94/482837794.db2.gz PEBVZGCUPMGIBR-KBPBESRZSA-N 1 3 351.451 -1.301 20 0 FAADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981766 482837692 /nfs/dbraw/zinc/83/76/92/482837692.db2.gz PEBVZGCUPMGIBR-KGLIPLIRSA-N 1 3 351.451 -1.301 20 0 FAADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981767 482837562 /nfs/dbraw/zinc/83/75/62/482837562.db2.gz PEBVZGCUPMGIBR-UONOGXRCSA-N 1 3 351.451 -1.301 20 0 FAADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981768 482836750 /nfs/dbraw/zinc/83/67/50/482836750.db2.gz PEBVZGCUPMGIBR-ZIAGYGMSSA-N 1 3 351.451 -1.301 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CCN2C1=O ZINC000595981912 482836888 /nfs/dbraw/zinc/83/68/88/482836888.db2.gz RDAOBQPUAQYXGE-QLFBSQMISA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CCN2C1=O ZINC000595981914 482837603 /nfs/dbraw/zinc/83/76/03/482837603.db2.gz RDAOBQPUAQYXGE-RBSFLKMASA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CCN2C1=O ZINC000595981916 482837736 /nfs/dbraw/zinc/83/77/36/482837736.db2.gz RDAOBQPUAQYXGE-RRFJBIMHSA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CCN2C1=O ZINC000595982005 482836932 /nfs/dbraw/zinc/83/69/32/482836932.db2.gz RDAOBQPUAQYXGE-SOUVJXGZSA-N 1 3 363.462 -1.156 20 0 FAADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595982568 482837590 /nfs/dbraw/zinc/83/75/90/482837590.db2.gz URYTTWSXCIISEW-BARDWOONSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595982568 482837585 /nfs/dbraw/zinc/83/75/85/482837585.db2.gz URYTTWSXCIISEW-BARDWOONSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595982569 482837166 /nfs/dbraw/zinc/83/71/66/482837166.db2.gz URYTTWSXCIISEW-CBBWQLFWSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595982569 482837161 /nfs/dbraw/zinc/83/71/61/482837161.db2.gz URYTTWSXCIISEW-CBBWQLFWSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595982570 482837095 /nfs/dbraw/zinc/83/70/95/482837095.db2.gz URYTTWSXCIISEW-LXTVHRRPSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595982570 482837090 /nfs/dbraw/zinc/83/70/90/482837090.db2.gz URYTTWSXCIISEW-LXTVHRRPSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595982571 482837654 /nfs/dbraw/zinc/83/76/54/482837654.db2.gz URYTTWSXCIISEW-QPSCCSFWSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595982571 482837649 /nfs/dbraw/zinc/83/76/49/482837649.db2.gz URYTTWSXCIISEW-QPSCCSFWSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@H](C)C1 ZINC000595983370 482837780 /nfs/dbraw/zinc/83/77/80/482837780.db2.gz XTDFEJMRVDTEAK-BARDWOONSA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@H](C)C1 ZINC000595983370 482837777 /nfs/dbraw/zinc/83/77/77/482837777.db2.gz XTDFEJMRVDTEAK-BARDWOONSA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@H](C)C1 ZINC000595983371 482837410 /nfs/dbraw/zinc/83/74/10/482837410.db2.gz XTDFEJMRVDTEAK-TUVASFSCSA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@H](C)C1 ZINC000595983371 482837406 /nfs/dbraw/zinc/83/74/06/482837406.db2.gz XTDFEJMRVDTEAK-TUVASFSCSA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@H](C)C1 ZINC000595983372 482837269 /nfs/dbraw/zinc/83/72/69/482837269.db2.gz XTDFEJMRVDTEAK-XQLPTFJDSA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@H](C)C1 ZINC000595983372 482837265 /nfs/dbraw/zinc/83/72/65/482837265.db2.gz XTDFEJMRVDTEAK-XQLPTFJDSA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@H](C)C1 ZINC000595983373 482837882 /nfs/dbraw/zinc/83/78/82/482837882.db2.gz XTDFEJMRVDTEAK-YJNKXOJESA-N 1 3 365.478 -1.055 20 0 FAADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@H](C)C1 ZINC000595983373 482837878 /nfs/dbraw/zinc/83/78/78/482837878.db2.gz XTDFEJMRVDTEAK-YJNKXOJESA-N 1 3 365.478 -1.055 20 0 FAADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595983478 482837453 /nfs/dbraw/zinc/83/74/53/482837453.db2.gz PAGSVNDKLHMITC-KBPBESRZSA-N 1 3 351.451 -1.299 20 0 FAADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595983479 482836552 /nfs/dbraw/zinc/83/65/52/482836552.db2.gz PAGSVNDKLHMITC-KGLIPLIRSA-N 1 3 351.451 -1.299 20 0 FAADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595983480 482837066 /nfs/dbraw/zinc/83/70/66/482837066.db2.gz PAGSVNDKLHMITC-UONOGXRCSA-N 1 3 351.451 -1.299 20 0 FAADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595983482 482837192 /nfs/dbraw/zinc/83/71/92/482837192.db2.gz PAGSVNDKLHMITC-ZIAGYGMSSA-N 1 3 351.451 -1.299 20 0 FAADHO N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595984943 482838727 /nfs/dbraw/zinc/83/87/27/482838727.db2.gz FNHDLOCJQVRRKH-CABCVRRESA-N 1 3 372.429 -1.499 20 0 FAADHO N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595985022 482839616 /nfs/dbraw/zinc/83/96/16/482839616.db2.gz FNHDLOCJQVRRKH-GJZGRUSLSA-N 1 3 372.429 -1.499 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595985027 482839816 /nfs/dbraw/zinc/83/98/16/482839816.db2.gz FNHDLOCJQVRRKH-HUUCEWRRSA-N 1 3 372.429 -1.499 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595985037 482839173 /nfs/dbraw/zinc/83/91/73/482839173.db2.gz FNHDLOCJQVRRKH-LSDHHAIUSA-N 1 3 372.429 -1.499 20 0 FAADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595986552 482839089 /nfs/dbraw/zinc/83/90/89/482839089.db2.gz HUVPVUHLHMISQE-HZSPNIEDSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595986553 482839372 /nfs/dbraw/zinc/83/93/72/482839372.db2.gz HUVPVUHLHMISQE-MCIONIFRSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595986554 482839773 /nfs/dbraw/zinc/83/97/73/482839773.db2.gz HUVPVUHLHMISQE-MGPQQGTHSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595986556 482839051 /nfs/dbraw/zinc/83/90/51/482839051.db2.gz HUVPVUHLHMISQE-RDBSUJKOSA-N 1 3 351.451 -1.301 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CCN2C1=O ZINC000595986852 482839896 /nfs/dbraw/zinc/83/98/96/482839896.db2.gz IANPHZJONKZAES-QLFBSQMISA-N 1 3 363.462 -1.299 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)CCN2C1=O ZINC000595986853 482838880 /nfs/dbraw/zinc/83/88/80/482838880.db2.gz IANPHZJONKZAES-RBSFLKMASA-N 1 3 363.462 -1.299 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CCN2C1=O ZINC000595986854 482839686 /nfs/dbraw/zinc/83/96/86/482839686.db2.gz IANPHZJONKZAES-RRFJBIMHSA-N 1 3 363.462 -1.299 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)CCN2C1=O ZINC000595986855 482839283 /nfs/dbraw/zinc/83/92/83/482839283.db2.gz IANPHZJONKZAES-SOUVJXGZSA-N 1 3 363.462 -1.299 20 0 FAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595986860 482839142 /nfs/dbraw/zinc/83/91/42/482839142.db2.gz ICKLAMPTZILZAT-CHWSQXEVSA-N 1 3 355.439 -2.207 20 0 FAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595986861 482839722 /nfs/dbraw/zinc/83/97/22/482839722.db2.gz ICKLAMPTZILZAT-OLZOCXBDSA-N 1 3 355.439 -2.207 20 0 FAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595986862 482838676 /nfs/dbraw/zinc/83/86/76/482838676.db2.gz ICKLAMPTZILZAT-QWHCGFSZSA-N 1 3 355.439 -2.207 20 0 FAADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595986863 482839988 /nfs/dbraw/zinc/83/99/88/482839988.db2.gz ICKLAMPTZILZAT-STQMWFEESA-N 1 3 355.439 -2.207 20 0 FAADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595986896 482839332 /nfs/dbraw/zinc/83/93/32/482839332.db2.gz IRPNXXRAGXUDPQ-KBPBESRZSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595986897 482839414 /nfs/dbraw/zinc/83/94/14/482839414.db2.gz IRPNXXRAGXUDPQ-KGLIPLIRSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595986898 482839926 /nfs/dbraw/zinc/83/99/26/482839926.db2.gz IRPNXXRAGXUDPQ-UONOGXRCSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595986899 482839100 /nfs/dbraw/zinc/83/91/00/482839100.db2.gz IRPNXXRAGXUDPQ-ZIAGYGMSSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595987162 482838903 /nfs/dbraw/zinc/83/89/03/482838903.db2.gz JXEIYALFQHISQL-BFHYXJOUSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595987162 482838900 /nfs/dbraw/zinc/83/89/00/482838900.db2.gz JXEIYALFQHISQL-BFHYXJOUSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595987164 482838499 /nfs/dbraw/zinc/83/84/99/482838499.db2.gz JXEIYALFQHISQL-IHRRRGAJSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595987164 482838493 /nfs/dbraw/zinc/83/84/93/482838493.db2.gz JXEIYALFQHISQL-IHRRRGAJSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595987167 482838546 /nfs/dbraw/zinc/83/85/46/482838546.db2.gz JXEIYALFQHISQL-MELADBBJSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595987167 482838539 /nfs/dbraw/zinc/83/85/39/482838539.db2.gz JXEIYALFQHISQL-MELADBBJSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595987169 482839162 /nfs/dbraw/zinc/83/91/62/482839162.db2.gz JXEIYALFQHISQL-MJBXVCDLSA-N 1 3 351.451 -1.443 20 0 FAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595987169 482839158 /nfs/dbraw/zinc/83/91/58/482839158.db2.gz JXEIYALFQHISQL-MJBXVCDLSA-N 1 3 351.451 -1.443 20 0 FAADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595988565 482840606 /nfs/dbraw/zinc/84/06/06/482840606.db2.gz PHTRLRIEBNKJFS-KBPBESRZSA-N 1 3 353.467 -1.197 20 0 FAADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595988569 482840568 /nfs/dbraw/zinc/84/05/68/482840568.db2.gz PHTRLRIEBNKJFS-KGLIPLIRSA-N 1 3 353.467 -1.197 20 0 FAADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595988571 482841460 /nfs/dbraw/zinc/84/14/60/482841460.db2.gz PHTRLRIEBNKJFS-UONOGXRCSA-N 1 3 353.467 -1.197 20 0 FAADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595988573 482840843 /nfs/dbraw/zinc/84/08/43/482840843.db2.gz PHTRLRIEBNKJFS-ZIAGYGMSSA-N 1 3 353.467 -1.197 20 0 FAADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC[C@@H]21 ZINC000595989347 482841108 /nfs/dbraw/zinc/84/11/08/482841108.db2.gz KELLTYYZPCBUNO-BARDWOONSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC[C@@H]21 ZINC000595989347 482841102 /nfs/dbraw/zinc/84/11/02/482841102.db2.gz KELLTYYZPCBUNO-BARDWOONSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC[C@H]21 ZINC000595989348 482840715 /nfs/dbraw/zinc/84/07/15/482840715.db2.gz KELLTYYZPCBUNO-KBUPBQIOSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC[C@H]21 ZINC000595989348 482840709 /nfs/dbraw/zinc/84/07/09/482840709.db2.gz KELLTYYZPCBUNO-KBUPBQIOSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC[C@H]21 ZINC000595989349 482841332 /nfs/dbraw/zinc/84/13/32/482841332.db2.gz KELLTYYZPCBUNO-LXTVHRRPSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC[C@H]21 ZINC000595989349 482841325 /nfs/dbraw/zinc/84/13/25/482841325.db2.gz KELLTYYZPCBUNO-LXTVHRRPSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC[C@@H]21 ZINC000595989350 482841781 /nfs/dbraw/zinc/84/17/81/482841781.db2.gz KELLTYYZPCBUNO-TUVASFSCSA-N 1 3 363.462 -1.301 20 0 FAADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC[C@@H]21 ZINC000595989350 482841774 /nfs/dbraw/zinc/84/17/74/482841774.db2.gz KELLTYYZPCBUNO-TUVASFSCSA-N 1 3 363.462 -1.301 20 0 FAADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595990360 482840852 /nfs/dbraw/zinc/84/08/52/482840852.db2.gz QEMKOMSOSNJOQA-CHWSQXEVSA-N 1 3 351.451 -1.301 20 0 FAADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595990361 482841873 /nfs/dbraw/zinc/84/18/73/482841873.db2.gz QEMKOMSOSNJOQA-OLZOCXBDSA-N 1 3 351.451 -1.301 20 0 FAADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595990362 482841000 /nfs/dbraw/zinc/84/10/00/482841000.db2.gz QEMKOMSOSNJOQA-QWHCGFSZSA-N 1 3 351.451 -1.301 20 0 FAADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595990364 482841614 /nfs/dbraw/zinc/84/16/14/482841614.db2.gz QEMKOMSOSNJOQA-STQMWFEESA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595990920 482841062 /nfs/dbraw/zinc/84/10/62/482841062.db2.gz KUNSBVGMSMPGKK-HZSPNIEDSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595990920 482841060 /nfs/dbraw/zinc/84/10/60/482841060.db2.gz KUNSBVGMSMPGKK-HZSPNIEDSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595990921 482841963 /nfs/dbraw/zinc/84/19/63/482841963.db2.gz KUNSBVGMSMPGKK-MCIONIFRSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595990921 482841957 /nfs/dbraw/zinc/84/19/57/482841957.db2.gz KUNSBVGMSMPGKK-MCIONIFRSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595990922 482841666 /nfs/dbraw/zinc/84/16/66/482841666.db2.gz KUNSBVGMSMPGKK-MGPQQGTHSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595990922 482841664 /nfs/dbraw/zinc/84/16/64/482841664.db2.gz KUNSBVGMSMPGKK-MGPQQGTHSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595990926 482841213 /nfs/dbraw/zinc/84/12/13/482841213.db2.gz KUNSBVGMSMPGKK-RDBSUJKOSA-N 1 3 351.451 -1.301 20 0 FAADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595990926 482841208 /nfs/dbraw/zinc/84/12/08/482841208.db2.gz KUNSBVGMSMPGKK-RDBSUJKOSA-N 1 3 351.451 -1.301 20 0 FAADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595991258 482840743 /nfs/dbraw/zinc/84/07/43/482840743.db2.gz QTTHNHOIOFMAEA-BFHYXJOUSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595991258 482840737 /nfs/dbraw/zinc/84/07/37/482840737.db2.gz QTTHNHOIOFMAEA-BFHYXJOUSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595991259 482841526 /nfs/dbraw/zinc/84/15/26/482841526.db2.gz QTTHNHOIOFMAEA-IHRRRGAJSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595991259 482841520 /nfs/dbraw/zinc/84/15/20/482841520.db2.gz QTTHNHOIOFMAEA-IHRRRGAJSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595991260 482841411 /nfs/dbraw/zinc/84/14/11/482841411.db2.gz QTTHNHOIOFMAEA-MELADBBJSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595991260 482841403 /nfs/dbraw/zinc/84/14/03/482841403.db2.gz QTTHNHOIOFMAEA-MELADBBJSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595991261 482841280 /nfs/dbraw/zinc/84/12/80/482841280.db2.gz QTTHNHOIOFMAEA-MJBXVCDLSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595991261 482841274 /nfs/dbraw/zinc/84/12/74/482841274.db2.gz QTTHNHOIOFMAEA-MJBXVCDLSA-N 1 3 351.451 -1.302 20 0 FAADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595991321 482840530 /nfs/dbraw/zinc/84/05/30/482840530.db2.gz RXZAVFABZFRTBO-HZSPNIEDSA-N 1 3 351.451 -1.254 20 0 FAADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595991322 482840958 /nfs/dbraw/zinc/84/09/58/482840958.db2.gz RXZAVFABZFRTBO-MCIONIFRSA-N 1 3 351.451 -1.254 20 0 FAADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595991323 482841016 /nfs/dbraw/zinc/84/10/16/482841016.db2.gz RXZAVFABZFRTBO-MGPQQGTHSA-N 1 3 351.451 -1.254 20 0 FAADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595991324 482840620 /nfs/dbraw/zinc/84/06/20/482840620.db2.gz RXZAVFABZFRTBO-RDBSUJKOSA-N 1 3 351.451 -1.254 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CCN2C1=O ZINC000595991483 482840796 /nfs/dbraw/zinc/84/07/96/482840796.db2.gz NCRWCARYFFGUMR-QLFBSQMISA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CCN2C1=O ZINC000595991484 482840924 /nfs/dbraw/zinc/84/09/24/482840924.db2.gz NCRWCARYFFGUMR-RBSFLKMASA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CCN2C1=O ZINC000595991485 482841174 /nfs/dbraw/zinc/84/11/74/482841174.db2.gz NCRWCARYFFGUMR-RRFJBIMHSA-N 1 3 363.462 -1.156 20 0 FAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CCN2C1=O ZINC000595991486 482840635 /nfs/dbraw/zinc/84/06/35/482840635.db2.gz NCRWCARYFFGUMR-SOUVJXGZSA-N 1 3 363.462 -1.156 20 0 FAADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595992058 482844008 /nfs/dbraw/zinc/84/40/08/482844008.db2.gz PSUAXPACYWYTDX-APIJFGDWSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595992058 482844005 /nfs/dbraw/zinc/84/40/05/482844005.db2.gz PSUAXPACYWYTDX-APIJFGDWSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595992060 482843237 /nfs/dbraw/zinc/84/32/37/482843237.db2.gz PSUAXPACYWYTDX-KBUPBQIOSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595992060 482843232 /nfs/dbraw/zinc/84/32/32/482843232.db2.gz PSUAXPACYWYTDX-KBUPBQIOSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595992062 482843338 /nfs/dbraw/zinc/84/33/38/482843338.db2.gz PSUAXPACYWYTDX-KBXIAJHMSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595992062 482843333 /nfs/dbraw/zinc/84/33/33/482843333.db2.gz PSUAXPACYWYTDX-KBXIAJHMSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595992063 482843378 /nfs/dbraw/zinc/84/33/78/482843378.db2.gz PSUAXPACYWYTDX-TUVASFSCSA-N 1 3 363.462 -1.158 20 0 FAADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595992063 482843374 /nfs/dbraw/zinc/84/33/74/482843374.db2.gz PSUAXPACYWYTDX-TUVASFSCSA-N 1 3 363.462 -1.158 20 0 FAADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595993704 482843960 /nfs/dbraw/zinc/84/39/60/482843960.db2.gz UAMQRVTYCOSMCB-KBPBESRZSA-N 1 3 351.451 -1.299 20 0 FAADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595993705 482843436 /nfs/dbraw/zinc/84/34/36/482843436.db2.gz UAMQRVTYCOSMCB-KGLIPLIRSA-N 1 3 351.451 -1.299 20 0 FAADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595993706 482843517 /nfs/dbraw/zinc/84/35/17/482843517.db2.gz UAMQRVTYCOSMCB-UONOGXRCSA-N 1 3 351.451 -1.299 20 0 FAADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595993708 482842830 /nfs/dbraw/zinc/84/28/30/482842830.db2.gz UAMQRVTYCOSMCB-ZIAGYGMSSA-N 1 3 351.451 -1.299 20 0 FAADHO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO1 ZINC000595995786 482843401 /nfs/dbraw/zinc/84/34/01/482843401.db2.gz XCLQOJPSFLHUKS-JHJVBQTASA-N 1 3 353.423 -2.454 20 0 FAADHO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000595995787 482843005 /nfs/dbraw/zinc/84/30/05/482843005.db2.gz XCLQOJPSFLHUKS-UPJWGTAASA-N 1 3 353.423 -2.454 20 0 FAADHO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000595995788 482843138 /nfs/dbraw/zinc/84/31/38/482843138.db2.gz XCLQOJPSFLHUKS-XQQFMLRXSA-N 1 3 353.423 -2.454 20 0 FAADHO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO1 ZINC000595995789 482843267 /nfs/dbraw/zinc/84/32/67/482843267.db2.gz XCLQOJPSFLHUKS-YNEHKIRRSA-N 1 3 353.423 -2.454 20 0 FAADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)C1 ZINC000596000691 482834282 /nfs/dbraw/zinc/83/42/82/482834282.db2.gz NMHAXVFZEVHROF-DEYYWGMASA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)C1 ZINC000596000691 482834278 /nfs/dbraw/zinc/83/42/78/482834278.db2.gz NMHAXVFZEVHROF-DEYYWGMASA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)C1 ZINC000596000693 482833761 /nfs/dbraw/zinc/83/37/61/482833761.db2.gz NMHAXVFZEVHROF-GLJUWKHASA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)C1 ZINC000596000693 482833753 /nfs/dbraw/zinc/83/37/53/482833753.db2.gz NMHAXVFZEVHROF-GLJUWKHASA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)C1 ZINC000596000694 482834359 /nfs/dbraw/zinc/83/43/59/482834359.db2.gz NMHAXVFZEVHROF-IYOUNJFTSA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)C1 ZINC000596000694 482834356 /nfs/dbraw/zinc/83/43/56/482834356.db2.gz NMHAXVFZEVHROF-IYOUNJFTSA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)C1 ZINC000596000695 482833875 /nfs/dbraw/zinc/83/38/75/482833875.db2.gz NMHAXVFZEVHROF-LBTNJELSSA-N 1 3 363.462 -1.299 20 0 FAADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)C1 ZINC000596000695 482833868 /nfs/dbraw/zinc/83/38/68/482833868.db2.gz NMHAXVFZEVHROF-LBTNJELSSA-N 1 3 363.462 -1.299 20 0 FAADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000596005151 482833850 /nfs/dbraw/zinc/83/38/50/482833850.db2.gz VBDMEBXSQKVMGS-KBPBESRZSA-N 1 3 351.451 -1.443 20 0 FAADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000596005153 482834300 /nfs/dbraw/zinc/83/43/00/482834300.db2.gz VBDMEBXSQKVMGS-KGLIPLIRSA-N 1 3 351.451 -1.443 20 0 FAADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000596005154 482834390 /nfs/dbraw/zinc/83/43/90/482834390.db2.gz VBDMEBXSQKVMGS-UONOGXRCSA-N 1 3 351.451 -1.443 20 0 FAADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000596005155 482833555 /nfs/dbraw/zinc/83/35/55/482833555.db2.gz VBDMEBXSQKVMGS-ZIAGYGMSSA-N 1 3 351.451 -1.443 20 0 FAADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000612543349 483339447 /nfs/dbraw/zinc/33/94/47/483339447.db2.gz PAYVWHYIVKIJIG-AWEZNQCLSA-N 1 3 353.467 -1.181 20 0 FAADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000612543350 483339278 /nfs/dbraw/zinc/33/92/78/483339278.db2.gz PAYVWHYIVKIJIG-CQSZACIVSA-N 1 3 353.467 -1.181 20 0 FAADHO CC1[C@H](C(=O)NC[C@]2(O)CCN(C)C2)[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000613522985 483538273 /nfs/dbraw/zinc/53/82/73/483538273.db2.gz PVHKJVOAJHVXLM-LBTBCDHLSA-N 1 3 368.478 -1.766 20 0 FAADHO CC1[C@H](C(=O)NC[C@]2(O)CCN(C)C2)[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000613522985 483538267 /nfs/dbraw/zinc/53/82/67/483538267.db2.gz PVHKJVOAJHVXLM-LBTBCDHLSA-N 1 3 368.478 -1.766 20 0 FAADHO CC1[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000613522987 483538229 /nfs/dbraw/zinc/53/82/29/483538229.db2.gz PVHKJVOAJHVXLM-USJZOSNVSA-N 1 3 368.478 -1.766 20 0 FAADHO CC1[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000613522987 483538222 /nfs/dbraw/zinc/53/82/22/483538222.db2.gz PVHKJVOAJHVXLM-USJZOSNVSA-N 1 3 368.478 -1.766 20 0 FAADHO CN(C)C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](CO)C[NH+](C)C)o1 ZINC000614845351 483558180 /nfs/dbraw/zinc/55/81/80/483558180.db2.gz CJSDJAVUQIJALT-RYUDHWBXSA-N 1 3 356.423 -1.416 20 0 FAADHO CN(C)C[C@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)o1 ZINC000614845353 483558051 /nfs/dbraw/zinc/55/80/51/483558051.db2.gz CJSDJAVUQIJALT-VXGBXAGGSA-N 1 3 356.423 -1.416 20 0 FAADHO CN(C)C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000614846188 483559627 /nfs/dbraw/zinc/55/96/27/483559627.db2.gz GRMHSNZOELJRLF-HOTGVXAUSA-N 1 3 366.462 -1.009 20 0 FAADHO CN(C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000614846189 483559962 /nfs/dbraw/zinc/55/99/62/483559962.db2.gz GRMHSNZOELJRLF-HZPDHXFCSA-N 1 3 366.462 -1.009 20 0 FAADHO CN(C)C[C@@H](CO)NC(=O)c1cncc(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000614847449 483559525 /nfs/dbraw/zinc/55/95/25/483559525.db2.gz LPUVYEXMDKIYHE-GJZGRUSLSA-N 1 3 367.450 -1.614 20 0 FAADHO CN(C)C[C@H](CO)NC(=O)c1cncc(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000614847451 483560230 /nfs/dbraw/zinc/56/02/30/483560230.db2.gz LPUVYEXMDKIYHE-HUUCEWRRSA-N 1 3 367.450 -1.614 20 0 FAADHO CC1C[C@H](C(=O)N[C@H](CO)CN(C)C)[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614850678 483559360 /nfs/dbraw/zinc/55/93/60/483559360.db2.gz AXLXRIUZZBMBID-VGWMRTNUSA-N 1 3 372.510 -1.274 20 0 FAADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000614851030 483559994 /nfs/dbraw/zinc/55/99/94/483559994.db2.gz DXFXCLLELKXMTC-KLHDSHLOSA-N 1 3 372.510 -1.130 20 0 FAADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000614851031 483561887 /nfs/dbraw/zinc/56/18/87/483561887.db2.gz DXFXCLLELKXMTC-VGWMRTNUSA-N 1 3 372.510 -1.130 20 0 FAADHO CC1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000615078611 483588932 /nfs/dbraw/zinc/58/89/32/483588932.db2.gz JZKQMRXAAWERDX-QNILMXGZSA-N 1 3 368.478 -1.865 20 0 FAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000618306056 482703941 /nfs/dbraw/zinc/70/39/41/482703941.db2.gz RPJXTKPNQJNDRH-AWEZNQCLSA-N 1 3 355.483 -1.125 20 0 FAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000618306057 482703473 /nfs/dbraw/zinc/70/34/73/482703473.db2.gz RPJXTKPNQJNDRH-CQSZACIVSA-N 1 3 355.483 -1.125 20 0 FAADHO Cc1cnc(NCCN2CC[C@@H](O)C2)nc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624677958 482538467 /nfs/dbraw/zinc/53/84/67/482538467.db2.gz LXRVXGJVSLERMN-HUUCEWRRSA-N 1 3 350.467 -1.414 20 0 FAADHO Cc1cnc(NCCN2CC[C@@H](O)C2)nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624677958 482538460 /nfs/dbraw/zinc/53/84/60/482538460.db2.gz LXRVXGJVSLERMN-HUUCEWRRSA-N 1 3 350.467 -1.414 20 0 FAADHO Cc1cnc(NCCN2CC[C@H](O)C2)nc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624773983 482538796 /nfs/dbraw/zinc/53/87/96/482538796.db2.gz LXRVXGJVSLERMN-GJZGRUSLSA-N 1 3 350.467 -1.414 20 0 FAADHO Cc1cnc(NCCN2CC[C@H](O)C2)nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624773983 482538788 /nfs/dbraw/zinc/53/87/88/482538788.db2.gz LXRVXGJVSLERMN-GJZGRUSLSA-N 1 3 350.467 -1.414 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625466284 482594453 /nfs/dbraw/zinc/59/44/53/482594453.db2.gz QJKKCHQOQTWHSA-CYBMUJFWSA-N 1 3 357.455 -1.959 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625466288 482594346 /nfs/dbraw/zinc/59/43/46/482594346.db2.gz QJKKCHQOQTWHSA-ZDUSSCGKSA-N 1 3 357.455 -1.959 20 0 FAADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000627313399 483706876 /nfs/dbraw/zinc/70/68/76/483706876.db2.gz DMAPXFXLGHMDCE-KBPBESRZSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000627313399 483706873 /nfs/dbraw/zinc/70/68/73/483706873.db2.gz DMAPXFXLGHMDCE-KBPBESRZSA-N 1 3 353.467 -1.624 20 0 FAADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000627313399 483706871 /nfs/dbraw/zinc/70/68/71/483706871.db2.gz DMAPXFXLGHMDCE-KBPBESRZSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000627313400 483707154 /nfs/dbraw/zinc/70/71/54/483707154.db2.gz DMAPXFXLGHMDCE-KGLIPLIRSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000627313400 483707151 /nfs/dbraw/zinc/70/71/51/483707151.db2.gz DMAPXFXLGHMDCE-KGLIPLIRSA-N 1 3 353.467 -1.624 20 0 FAADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2)CC1 ZINC000627313400 483707147 /nfs/dbraw/zinc/70/71/47/483707147.db2.gz DMAPXFXLGHMDCE-KGLIPLIRSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000627313401 483707305 /nfs/dbraw/zinc/70/73/05/483707305.db2.gz DMAPXFXLGHMDCE-UONOGXRCSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000627313401 483707302 /nfs/dbraw/zinc/70/73/02/483707302.db2.gz DMAPXFXLGHMDCE-UONOGXRCSA-N 1 3 353.467 -1.624 20 0 FAADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000627313401 483707300 /nfs/dbraw/zinc/70/73/00/483707300.db2.gz DMAPXFXLGHMDCE-UONOGXRCSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000627313402 483707334 /nfs/dbraw/zinc/70/73/34/483707334.db2.gz DMAPXFXLGHMDCE-ZIAGYGMSSA-N 1 3 353.467 -1.624 20 0 FAADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000627313402 483707332 /nfs/dbraw/zinc/70/73/32/483707332.db2.gz DMAPXFXLGHMDCE-ZIAGYGMSSA-N 1 3 353.467 -1.624 20 0 FAADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2)CC1 ZINC000627313402 483707330 /nfs/dbraw/zinc/70/73/30/483707330.db2.gz DMAPXFXLGHMDCE-ZIAGYGMSSA-N 1 3 353.467 -1.624 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313577 483707407 /nfs/dbraw/zinc/70/74/07/483707407.db2.gz ISTAFOCXJUDNTI-AWEZNQCLSA-N 1 3 355.483 -1.295 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313578 483706744 /nfs/dbraw/zinc/70/67/44/483706744.db2.gz ISTAFOCXJUDNTI-CQSZACIVSA-N 1 3 355.483 -1.295 20 0 FAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313720 483707529 /nfs/dbraw/zinc/70/75/29/483707529.db2.gz LDUQHTFYFVQHME-HNNXBMFYSA-N 1 3 369.510 -1.035 20 0 FAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313721 483707122 /nfs/dbraw/zinc/70/71/22/483707122.db2.gz LDUQHTFYFVQHME-OAHLLOKOSA-N 1 3 369.510 -1.035 20 0 FAADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314305 483706954 /nfs/dbraw/zinc/70/69/54/483706954.db2.gz ZMFNOGCEMPYONK-AWEZNQCLSA-N 1 3 355.483 -1.247 20 0 FAADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314306 483707006 /nfs/dbraw/zinc/70/70/06/483707006.db2.gz ZMFNOGCEMPYONK-CQSZACIVSA-N 1 3 355.483 -1.247 20 0 FAADHO CCN(CC[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000627315426 483706859 /nfs/dbraw/zinc/70/68/59/483706859.db2.gz FRRLSBBBNMQDMJ-UHFFFAOYSA-N 1 3 355.483 -1.294 20 0 FAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000627315542 483707444 /nfs/dbraw/zinc/70/74/44/483707444.db2.gz JGFKOFBUKXCNMO-LSDHHAIUSA-N 1 3 367.494 -1.234 20 0 FAADHO CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)(N2CCOCC2)CC1 ZINC000627315819 483706798 /nfs/dbraw/zinc/70/67/98/483706798.db2.gz RISAISGELIUJBE-CQSZACIVSA-N 1 3 353.467 -1.623 20 0 FAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627334335 483709639 /nfs/dbraw/zinc/70/96/39/483709639.db2.gz NJCODGFVDGINSE-UHFFFAOYSA-N 1 3 357.499 -1.177 20 0 FAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000627366314 483716632 /nfs/dbraw/zinc/71/66/32/483716632.db2.gz OTCMYENUXQWYGF-BFHYXJOUSA-N 1 3 353.467 -1.088 20 0 FAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000627366315 483716587 /nfs/dbraw/zinc/71/65/87/483716587.db2.gz OTCMYENUXQWYGF-MJBXVCDLSA-N 1 3 353.467 -1.088 20 0 FAADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627398598 483717776 /nfs/dbraw/zinc/71/77/76/483717776.db2.gz QPDQTHFSACKFMN-CABCVRRESA-N 1 3 355.483 -1.519 20 0 FAADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627398599 483717806 /nfs/dbraw/zinc/71/78/06/483717806.db2.gz QPDQTHFSACKFMN-GJZGRUSLSA-N 1 3 355.483 -1.519 20 0 FAADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627398600 483717277 /nfs/dbraw/zinc/71/72/77/483717277.db2.gz QPDQTHFSACKFMN-HUUCEWRRSA-N 1 3 355.483 -1.519 20 0 FAADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627398601 483717309 /nfs/dbraw/zinc/71/73/09/483717309.db2.gz QPDQTHFSACKFMN-LSDHHAIUSA-N 1 3 355.483 -1.519 20 0 FAADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627455028 483718732 /nfs/dbraw/zinc/71/87/32/483718732.db2.gz IICVJTFYKJGNLR-HNNXBMFYSA-N 1 3 367.494 -1.151 20 0 FAADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627455029 483718792 /nfs/dbraw/zinc/71/87/92/483718792.db2.gz IICVJTFYKJGNLR-OAHLLOKOSA-N 1 3 367.494 -1.151 20 0 FAADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000627462880 483718577 /nfs/dbraw/zinc/71/85/77/483718577.db2.gz HJKGRDHCWMKEKA-AWEZNQCLSA-N 1 3 369.466 -1.896 20 0 FAADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000627462881 483718536 /nfs/dbraw/zinc/71/85/36/483718536.db2.gz HJKGRDHCWMKEKA-CQSZACIVSA-N 1 3 369.466 -1.896 20 0 FAADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627463445 483718673 /nfs/dbraw/zinc/71/86/73/483718673.db2.gz XXWLVJBUBAHRTN-UHFFFAOYSA-N 1 3 369.466 -1.895 20 0 FAADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000627464015 483718818 /nfs/dbraw/zinc/71/88/18/483718818.db2.gz OWFNIAOAANHFBL-HNNXBMFYSA-N 1 3 355.483 -1.423 20 0 FAADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000627464016 483718788 /nfs/dbraw/zinc/71/87/88/483718788.db2.gz OWFNIAOAANHFBL-OAHLLOKOSA-N 1 3 355.483 -1.423 20 0 FAADHO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627475505 483720650 /nfs/dbraw/zinc/72/06/50/483720650.db2.gz NZXKWFYKTJIDOE-GDBMZVCRSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627475505 483720647 /nfs/dbraw/zinc/72/06/47/483720647.db2.gz NZXKWFYKTJIDOE-GDBMZVCRSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475505 483720645 /nfs/dbraw/zinc/72/06/45/483720645.db2.gz NZXKWFYKTJIDOE-GDBMZVCRSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627475506 483720376 /nfs/dbraw/zinc/72/03/76/483720376.db2.gz NZXKWFYKTJIDOE-GOEBONIOSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627475506 483720375 /nfs/dbraw/zinc/72/03/75/483720375.db2.gz NZXKWFYKTJIDOE-GOEBONIOSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475506 483720374 /nfs/dbraw/zinc/72/03/74/483720374.db2.gz NZXKWFYKTJIDOE-GOEBONIOSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627475507 483720007 /nfs/dbraw/zinc/72/00/07/483720007.db2.gz NZXKWFYKTJIDOE-HOCLYGCPSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627475507 483720005 /nfs/dbraw/zinc/72/00/05/483720005.db2.gz NZXKWFYKTJIDOE-HOCLYGCPSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475507 483720004 /nfs/dbraw/zinc/72/00/04/483720004.db2.gz NZXKWFYKTJIDOE-HOCLYGCPSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000627475508 483720146 /nfs/dbraw/zinc/72/01/46/483720146.db2.gz NZXKWFYKTJIDOE-ZBFHGGJFSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627475508 483720142 /nfs/dbraw/zinc/72/01/42/483720142.db2.gz NZXKWFYKTJIDOE-ZBFHGGJFSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475508 483720141 /nfs/dbraw/zinc/72/01/41/483720141.db2.gz NZXKWFYKTJIDOE-ZBFHGGJFSA-N 1 3 367.494 -1.282 20 0 FAADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475981 483720394 /nfs/dbraw/zinc/72/03/94/483720394.db2.gz XVVXDXLZUUSREK-AWEZNQCLSA-N 1 3 355.483 -1.425 20 0 FAADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475981 483720391 /nfs/dbraw/zinc/72/03/91/483720391.db2.gz XVVXDXLZUUSREK-AWEZNQCLSA-N 1 3 355.483 -1.425 20 0 FAADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475981 483720388 /nfs/dbraw/zinc/72/03/88/483720388.db2.gz XVVXDXLZUUSREK-AWEZNQCLSA-N 1 3 355.483 -1.425 20 0 FAADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475982 483719997 /nfs/dbraw/zinc/71/99/97/483719997.db2.gz XVVXDXLZUUSREK-CQSZACIVSA-N 1 3 355.483 -1.425 20 0 FAADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475982 483719995 /nfs/dbraw/zinc/71/99/95/483719995.db2.gz XVVXDXLZUUSREK-CQSZACIVSA-N 1 3 355.483 -1.425 20 0 FAADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475982 483719994 /nfs/dbraw/zinc/71/99/94/483719994.db2.gz XVVXDXLZUUSREK-CQSZACIVSA-N 1 3 355.483 -1.425 20 0 FAADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627486094 483721312 /nfs/dbraw/zinc/72/13/12/483721312.db2.gz RQBWPIHHQGBCQN-HNNXBMFYSA-N 1 3 355.483 -1.294 20 0 FAADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627486095 483720968 /nfs/dbraw/zinc/72/09/68/483720968.db2.gz RQBWPIHHQGBCQN-OAHLLOKOSA-N 1 3 355.483 -1.294 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627486675 483721177 /nfs/dbraw/zinc/72/11/77/483721177.db2.gz ISXJDHMFZPTOTQ-AWEZNQCLSA-N 1 3 369.466 -1.767 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627486676 483720833 /nfs/dbraw/zinc/72/08/33/483720833.db2.gz ISXJDHMFZPTOTQ-CQSZACIVSA-N 1 3 369.466 -1.767 20 0 FAADHO [NH3+]CCCOCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627487265 483721236 /nfs/dbraw/zinc/72/12/36/483721236.db2.gz YEOSLZRVXRFEKG-UHFFFAOYSA-N 1 3 369.466 -1.765 20 0 FAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627500474 483721228 /nfs/dbraw/zinc/72/12/28/483721228.db2.gz BTTNIGITIZRWDI-UONOGXRCSA-N 1 3 351.451 -1.380 20 0 FAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000627500988 483720993 /nfs/dbraw/zinc/72/09/93/483720993.db2.gz STQBQXDCILWJLX-BFHYXJOUSA-N 1 3 351.451 -1.382 20 0 FAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000627500989 483721161 /nfs/dbraw/zinc/72/11/61/483721161.db2.gz STQBQXDCILWJLX-MJBXVCDLSA-N 1 3 351.451 -1.382 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627501488 483721029 /nfs/dbraw/zinc/72/10/29/483721029.db2.gz MGJSTYIQVBXWLC-UONOGXRCSA-N 1 3 353.467 -1.134 20 0 FAADHO CC(CC(=O)NCCN1CC[C@@H](O)C1)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629168688 483368322 /nfs/dbraw/zinc/36/83/22/483368322.db2.gz DWMPPFRXNAGUSW-HZPDHXFCSA-N 1 3 370.494 -1.232 20 0 FAADHO CC(CC(=O)NCCN1CC[C@@H](O)C1)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629168688 483368321 /nfs/dbraw/zinc/36/83/21/483368321.db2.gz DWMPPFRXNAGUSW-HZPDHXFCSA-N 1 3 370.494 -1.232 20 0 FAADHO C[NH2+]CCOCCN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000629571537 483389246 /nfs/dbraw/zinc/38/92/46/483389246.db2.gz NWFLSJQAXAIVMG-UHFFFAOYSA-N 1 3 352.439 -1.008 20 0 FAADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000629650073 483390191 /nfs/dbraw/zinc/39/01/91/483390191.db2.gz CWVCXBFDHRVDMH-HNNXBMFYSA-N 1 3 352.483 -1.174 20 0 FAADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(C(=O)N3CCNCC3)CC2)C1 ZINC000629650074 483390395 /nfs/dbraw/zinc/39/03/95/483390395.db2.gz CWVCXBFDHRVDMH-OAHLLOKOSA-N 1 3 352.483 -1.174 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000629795343 483391693 /nfs/dbraw/zinc/39/16/93/483391693.db2.gz BXPUHZXWWVWJSK-HNNXBMFYSA-N 1 3 355.483 -1.342 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000629795347 483391456 /nfs/dbraw/zinc/39/14/56/483391456.db2.gz BXPUHZXWWVWJSK-OAHLLOKOSA-N 1 3 355.483 -1.342 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000629796821 483392316 /nfs/dbraw/zinc/39/23/16/483392316.db2.gz SYOOTZNPBUUIOY-UHFFFAOYSA-N 1 3 369.466 -1.813 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629797105 483392672 /nfs/dbraw/zinc/39/26/72/483392672.db2.gz WHQIEKPZSJFLHA-UHFFFAOYSA-N 1 3 371.482 -1.567 20 0 FAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000629798464 483391745 /nfs/dbraw/zinc/39/17/45/483391745.db2.gz WUHBVNDQNKODKS-INIZCTEOSA-N 1 3 369.510 -1.081 20 0 FAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000629798467 483391553 /nfs/dbraw/zinc/39/15/53/483391553.db2.gz WUHBVNDQNKODKS-MRXNPFEDSA-N 1 3 369.510 -1.081 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000629802156 483392788 /nfs/dbraw/zinc/39/27/88/483392788.db2.gz RTMDYYMYGJYINP-AWEZNQCLSA-N 1 3 369.466 -1.815 20 0 FAADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000629802158 483392612 /nfs/dbraw/zinc/39/26/12/483392612.db2.gz RTMDYYMYGJYINP-CQSZACIVSA-N 1 3 369.466 -1.815 20 0 FAADHO CC(CC(=O)NCCN1CC[C@H](O)C1)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915915 483397572 /nfs/dbraw/zinc/39/75/72/483397572.db2.gz DWMPPFRXNAGUSW-HOTGVXAUSA-N 1 3 370.494 -1.232 20 0 FAADHO CC(CC(=O)NCCN1CC[C@H](O)C1)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915915 483397569 /nfs/dbraw/zinc/39/75/69/483397569.db2.gz DWMPPFRXNAGUSW-HOTGVXAUSA-N 1 3 370.494 -1.232 20 0 FAADHO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000631917268 483726178 /nfs/dbraw/zinc/72/61/78/483726178.db2.gz HWICEDGHPHXQCA-AWEZNQCLSA-N 1 3 360.480 -1.455 20 0 FAADHO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000631917269 483726108 /nfs/dbraw/zinc/72/61/08/483726108.db2.gz HWICEDGHPHXQCA-CQSZACIVSA-N 1 3 360.480 -1.455 20 0 FAADHO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000631917685 483725828 /nfs/dbraw/zinc/72/58/28/483725828.db2.gz ODIAIPIQDWUTSG-AWEZNQCLSA-N 1 3 362.496 -1.209 20 0 FAADHO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000631917686 483725659 /nfs/dbraw/zinc/72/56/59/483725659.db2.gz ODIAIPIQDWUTSG-CQSZACIVSA-N 1 3 362.496 -1.209 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633086845 483730954 /nfs/dbraw/zinc/73/09/54/483730954.db2.gz AKFHYMONUQXRNP-GASCZTMLSA-N 1 3 363.462 -1.284 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633086972 483730760 /nfs/dbraw/zinc/73/07/60/483730760.db2.gz CRCFNNRNXCCRIA-GASCZTMLSA-N 1 3 365.478 -1.038 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086994 483730983 /nfs/dbraw/zinc/73/09/83/483730983.db2.gz DJFRWVGPSHQHHB-KBPBESRZSA-N 1 3 351.451 -1.428 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000633087460 483730899 /nfs/dbraw/zinc/73/08/99/483730899.db2.gz KYJYVKPYKCJFTL-HUUCEWRRSA-N 1 3 365.478 -1.194 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@H]1C[NH3+] ZINC000633102331 483731056 /nfs/dbraw/zinc/73/10/56/483731056.db2.gz SEAYCROVZCXRMU-KFWWJZLASA-N 1 3 365.478 -1.195 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H]1C[NH3+] ZINC000633102339 483731006 /nfs/dbraw/zinc/73/10/06/483731006.db2.gz SEAYCROVZCXRMU-RBSFLKMASA-N 1 3 365.478 -1.195 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633102380 483731113 /nfs/dbraw/zinc/73/11/13/483731113.db2.gz SJIDMFPAKXGYRZ-QLFBSQMISA-N 1 3 363.462 -1.286 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633102382 483730656 /nfs/dbraw/zinc/73/06/56/483730656.db2.gz SJIDMFPAKXGYRZ-ZNMIVQPWSA-N 1 3 363.462 -1.286 20 0 FAADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000633116707 483731105 /nfs/dbraw/zinc/73/11/05/483731105.db2.gz WLTAKAHODRDDEW-KBPBESRZSA-N 1 3 351.451 -1.299 20 0 FAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000633116708 483730855 /nfs/dbraw/zinc/73/08/55/483730855.db2.gz WLTAKAHODRDDEW-KGLIPLIRSA-N 1 3 351.451 -1.299 20 0 FAADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000633116709 483730751 /nfs/dbraw/zinc/73/07/51/483730751.db2.gz WLTAKAHODRDDEW-UONOGXRCSA-N 1 3 351.451 -1.299 20 0 FAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000633116710 483731011 /nfs/dbraw/zinc/73/10/11/483731011.db2.gz WLTAKAHODRDDEW-ZIAGYGMSSA-N 1 3 351.451 -1.299 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116752 483730805 /nfs/dbraw/zinc/73/08/05/483730805.db2.gz XDYBOJZHCJUAJI-KBPBESRZSA-N 1 3 353.467 -1.053 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633116753 483731566 /nfs/dbraw/zinc/73/15/66/483731566.db2.gz XDYBOJZHCJUAJI-KGLIPLIRSA-N 1 3 353.467 -1.053 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116754 483731616 /nfs/dbraw/zinc/73/16/16/483731616.db2.gz XDYBOJZHCJUAJI-UONOGXRCSA-N 1 3 353.467 -1.053 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633116755 483731284 /nfs/dbraw/zinc/73/12/84/483731284.db2.gz XDYBOJZHCJUAJI-ZIAGYGMSSA-N 1 3 353.467 -1.053 20 0 FAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000633146948 483731508 /nfs/dbraw/zinc/73/15/08/483731508.db2.gz PWECSDANHTUYPU-HZSPNIEDSA-N 1 3 351.451 -1.301 20 0 FAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000633146949 483731548 /nfs/dbraw/zinc/73/15/48/483731548.db2.gz PWECSDANHTUYPU-MCIONIFRSA-N 1 3 351.451 -1.301 20 0 FAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000633146950 483731278 /nfs/dbraw/zinc/73/12/78/483731278.db2.gz PWECSDANHTUYPU-MGPQQGTHSA-N 1 3 351.451 -1.301 20 0 FAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000633146951 483731425 /nfs/dbraw/zinc/73/14/25/483731425.db2.gz PWECSDANHTUYPU-RDBSUJKOSA-N 1 3 351.451 -1.301 20 0 FAADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000633150452 483731644 /nfs/dbraw/zinc/73/16/44/483731644.db2.gz GRJYBPNGKWVISS-LGFJLYTPSA-N 1 3 368.478 -1.721 20 0 FAADHO CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H]1O ZINC000633150453 483731255 /nfs/dbraw/zinc/73/12/55/483731255.db2.gz GRJYBPNGKWVISS-QNILMXGZSA-N 1 3 368.478 -1.721 20 0 FAADHO O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000636797896 482883900 /nfs/dbraw/zinc/88/39/00/482883900.db2.gz VSVLNMGXOMSNPU-CVEARBPZSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000636797896 482883895 /nfs/dbraw/zinc/88/38/95/482883895.db2.gz VSVLNMGXOMSNPU-CVEARBPZSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000636797897 482884057 /nfs/dbraw/zinc/88/40/57/482884057.db2.gz VSVLNMGXOMSNPU-HOTGVXAUSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000636797897 482884052 /nfs/dbraw/zinc/88/40/52/482884052.db2.gz VSVLNMGXOMSNPU-HOTGVXAUSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000636797898 482883568 /nfs/dbraw/zinc/88/35/68/482883568.db2.gz VSVLNMGXOMSNPU-HZPDHXFCSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000636797898 482883562 /nfs/dbraw/zinc/88/35/62/482883562.db2.gz VSVLNMGXOMSNPU-HZPDHXFCSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000636797899 482884121 /nfs/dbraw/zinc/88/41/21/482884121.db2.gz VSVLNMGXOMSNPU-JKSUJKDBSA-N 1 3 355.483 -1.241 20 0 FAADHO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000636797899 482884118 /nfs/dbraw/zinc/88/41/18/482884118.db2.gz VSVLNMGXOMSNPU-JKSUJKDBSA-N 1 3 355.483 -1.241 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637539656 482913494 /nfs/dbraw/zinc/91/34/94/482913494.db2.gz ADFACMADRJCGND-UHFFFAOYSA-N 1 3 364.516 -1.388 20 0 FAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCCO1 ZINC000642190905 483479898 /nfs/dbraw/zinc/47/98/98/483479898.db2.gz DPZSKDLTTHHHGG-CABCVRRESA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCCO1 ZINC000642190905 483479895 /nfs/dbraw/zinc/47/98/95/483479895.db2.gz DPZSKDLTTHHHGG-CABCVRRESA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCCO1 ZINC000642190906 483480031 /nfs/dbraw/zinc/48/00/31/483480031.db2.gz DPZSKDLTTHHHGG-GJZGRUSLSA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCCO1 ZINC000642190906 483480026 /nfs/dbraw/zinc/48/00/26/483480026.db2.gz DPZSKDLTTHHHGG-GJZGRUSLSA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CCCO1 ZINC000642190907 483479857 /nfs/dbraw/zinc/47/98/57/483479857.db2.gz DPZSKDLTTHHHGG-HUUCEWRRSA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CCCO1 ZINC000642190907 483479856 /nfs/dbraw/zinc/47/98/56/483479856.db2.gz DPZSKDLTTHHHGG-HUUCEWRRSA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CCCO1 ZINC000642190908 483479783 /nfs/dbraw/zinc/47/97/83/483479783.db2.gz DPZSKDLTTHHHGG-LSDHHAIUSA-N 1 3 355.483 -1.295 20 0 FAADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CCCO1 ZINC000642190908 483479781 /nfs/dbraw/zinc/47/97/81/483479781.db2.gz DPZSKDLTTHHHGG-LSDHHAIUSA-N 1 3 355.483 -1.295 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918078 482673739 /nfs/dbraw/zinc/67/37/39/482673739.db2.gz LYAFXWJTBPTWKM-AWEZNQCLSA-N 1 3 351.451 -1.380 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918079 482673232 /nfs/dbraw/zinc/67/32/32/482673232.db2.gz LYAFXWJTBPTWKM-CQSZACIVSA-N 1 3 351.451 -1.380 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918496 482672911 /nfs/dbraw/zinc/67/29/11/482672911.db2.gz WUCZKJIMJNBDRR-UHFFFAOYSA-N 1 3 351.451 -1.379 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919786 482675052 /nfs/dbraw/zinc/67/50/52/482675052.db2.gz GLSFEHFAMKSTDQ-UHFFFAOYSA-N 1 3 353.467 -1.133 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642978011 482756169 /nfs/dbraw/zinc/75/61/69/482756169.db2.gz VESVJNQOHINAGG-CYBMUJFWSA-N 1 3 351.451 -1.251 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642978012 482755659 /nfs/dbraw/zinc/75/56/59/482755659.db2.gz VESVJNQOHINAGG-ZDUSSCGKSA-N 1 3 351.451 -1.251 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@@H](CN)C1 ZINC000643576967 482535185 /nfs/dbraw/zinc/53/51/85/482535185.db2.gz UHAPLYBTWMBALI-CVEARBPZSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@@H](CN)C1 ZINC000643576967 482535182 /nfs/dbraw/zinc/53/51/82/482535182.db2.gz UHAPLYBTWMBALI-CVEARBPZSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@@H](CN)C1 ZINC000643576968 482536089 /nfs/dbraw/zinc/53/60/89/482536089.db2.gz UHAPLYBTWMBALI-HOTGVXAUSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@@H](CN)C1 ZINC000643576968 482536084 /nfs/dbraw/zinc/53/60/84/482536084.db2.gz UHAPLYBTWMBALI-HOTGVXAUSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[C@H](CN)C1 ZINC000643576969 482536026 /nfs/dbraw/zinc/53/60/26/482536026.db2.gz UHAPLYBTWMBALI-HZPDHXFCSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[C@H](CN)C1 ZINC000643576969 482536022 /nfs/dbraw/zinc/53/60/22/482536022.db2.gz UHAPLYBTWMBALI-HZPDHXFCSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[C@H](CN)C1 ZINC000643576970 482535278 /nfs/dbraw/zinc/53/52/78/482535278.db2.gz UHAPLYBTWMBALI-JKSUJKDBSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[C@H](CN)C1 ZINC000643576970 482535271 /nfs/dbraw/zinc/53/52/71/482535271.db2.gz UHAPLYBTWMBALI-JKSUJKDBSA-N 1 3 366.510 -1.674 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580955 482535632 /nfs/dbraw/zinc/53/56/32/482535632.db2.gz CCLSAZMONNMWJK-AWEZNQCLSA-N 1 3 351.451 -1.427 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643580956 482535385 /nfs/dbraw/zinc/53/53/85/482535385.db2.gz CCLSAZMONNMWJK-CQSZACIVSA-N 1 3 351.451 -1.427 20 0 FAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000643593947 482537666 /nfs/dbraw/zinc/53/76/66/482537666.db2.gz LOQJOMXOTZMTGL-CABCVRRESA-N 1 3 363.462 -1.427 20 0 FAADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000647709973 482820398 /nfs/dbraw/zinc/82/03/98/482820398.db2.gz DYIRWLLWEUAMRD-CAOSSQGBSA-N 1 3 372.510 -1.130 20 0 FAADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000647709974 482820542 /nfs/dbraw/zinc/82/05/42/482820542.db2.gz DYIRWLLWEUAMRD-KLHDSHLOSA-N 1 3 372.510 -1.130 20 0 FAADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649075885 483562542 /nfs/dbraw/zinc/56/25/42/483562542.db2.gz LYNDPRXUYNLFSJ-KBPBESRZSA-N 1 3 353.467 -1.025 20 0 FAADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649075886 483562597 /nfs/dbraw/zinc/56/25/97/483562597.db2.gz LYNDPRXUYNLFSJ-KGLIPLIRSA-N 1 3 353.467 -1.025 20 0 FAADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649075887 483563760 /nfs/dbraw/zinc/56/37/60/483563760.db2.gz LYNDPRXUYNLFSJ-UONOGXRCSA-N 1 3 353.467 -1.025 20 0 FAADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000649075888 483563367 /nfs/dbraw/zinc/56/33/67/483563367.db2.gz LYNDPRXUYNLFSJ-ZIAGYGMSSA-N 1 3 353.467 -1.025 20 0 FAADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000649335447 483601323 /nfs/dbraw/zinc/60/13/23/483601323.db2.gz AUCUEPBLKCUQSA-HOCLYGCPSA-N 1 3 355.483 -1.391 20 0 FAADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000649335448 483601843 /nfs/dbraw/zinc/60/18/43/483601843.db2.gz AUCUEPBLKCUQSA-ZBFHGGJFSA-N 1 3 355.483 -1.391 20 0 FAADHO [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1=O ZINC000649335732 483601919 /nfs/dbraw/zinc/60/19/19/483601919.db2.gz VQBWWOPMQOYTTR-CVEARBPZSA-N 1 3 367.494 -1.151 20 0 FAADHO [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1=O ZINC000649335733 483602605 /nfs/dbraw/zinc/60/26/05/483602605.db2.gz VQBWWOPMQOYTTR-HOTGVXAUSA-N 1 3 367.494 -1.151 20 0 FAADHO [NH3+][C@@H]1CCCCN(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1=O ZINC000649335734 483602662 /nfs/dbraw/zinc/60/26/62/483602662.db2.gz VQBWWOPMQOYTTR-HZPDHXFCSA-N 1 3 367.494 -1.151 20 0 FAADHO [NH3+][C@@H]1CCCCN(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1=O ZINC000649335735 483601548 /nfs/dbraw/zinc/60/15/48/483601548.db2.gz VQBWWOPMQOYTTR-JKSUJKDBSA-N 1 3 367.494 -1.151 20 0 FAADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCN1CC[NH2+]CC1 ZINC000649409630 483608211 /nfs/dbraw/zinc/60/82/11/483608211.db2.gz GFCDDKTYEPWZAJ-UHFFFAOYSA-N 1 3 363.466 -1.339 20 0 FAADHO Cn1cnc2c1c(=O)n(CCCN1CCC(O)(C[NH3+])CC1)c(=O)n2C ZINC000649420838 483609619 /nfs/dbraw/zinc/60/96/19/483609619.db2.gz CRVPUNRTEVLWSS-UHFFFAOYSA-N 1 3 350.423 -1.391 20 0 FAADHO CN(C)CCN1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1=O ZINC000649482308 483617051 /nfs/dbraw/zinc/61/70/51/483617051.db2.gz IIWYFDRPUDTIAA-AWEZNQCLSA-N 1 3 353.467 -1.229 20 0 FAADHO CN(C)CCN1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1=O ZINC000649482309 483617683 /nfs/dbraw/zinc/61/76/83/483617683.db2.gz IIWYFDRPUDTIAA-CQSZACIVSA-N 1 3 353.467 -1.229 20 0 FAADHO CN(C)CCN1CCN(CCN2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649686412 483632410 /nfs/dbraw/zinc/63/24/10/483632410.db2.gz GYMMUWRQWAJZBF-UHFFFAOYSA-N 1 3 368.526 -1.602 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000651263858 482768309 /nfs/dbraw/zinc/76/83/09/482768309.db2.gz PAOUTXQUFSQHTG-UHFFFAOYSA-N 1 3 366.470 -1.314 20 0 FAADHO CC(C)Nc1nc(NCCO)nc(N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000651383026 482773943 /nfs/dbraw/zinc/77/39/43/482773943.db2.gz GCNUEKNXNHTCGV-UHFFFAOYSA-N 1 3 366.470 -1.850 20 0 FAADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652424634 482857057 /nfs/dbraw/zinc/85/70/57/482857057.db2.gz ZXUWRBAOMZXDAY-UHFFFAOYSA-N 1 3 353.467 -1.227 20 0 FAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652434240 482858254 /nfs/dbraw/zinc/85/82/54/482858254.db2.gz WYLFJMKOFLTZFD-UHFFFAOYSA-N 1 3 371.482 -1.745 20 0 FAADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652473405 482861627 /nfs/dbraw/zinc/86/16/27/482861627.db2.gz GBTMGOHNQMILJK-UHFFFAOYSA-N 1 3 353.467 -1.229 20 0 FAADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652490872 482863406 /nfs/dbraw/zinc/86/34/06/482863406.db2.gz DTMCIQQGTXPIQC-AWEZNQCLSA-N 1 3 353.467 -1.229 20 0 FAADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652490873 482863674 /nfs/dbraw/zinc/86/36/74/482863674.db2.gz DTMCIQQGTXPIQC-CQSZACIVSA-N 1 3 353.467 -1.229 20 0 FAADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)C[C@H]21 ZINC000652505382 482865575 /nfs/dbraw/zinc/86/55/75/482865575.db2.gz JVQXZBXUAVOVQM-UONOGXRCSA-N 1 3 351.451 -1.619 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000652505430 482865747 /nfs/dbraw/zinc/86/57/47/482865747.db2.gz QEMUKDKSJYKESL-GOSISDBHSA-N 1 3 365.478 -1.227 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000652505430 482865740 /nfs/dbraw/zinc/86/57/40/482865740.db2.gz QEMUKDKSJYKESL-GOSISDBHSA-N 1 3 365.478 -1.227 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000652505431 482865335 /nfs/dbraw/zinc/86/53/35/482865335.db2.gz QEMUKDKSJYKESL-SFHVURJKSA-N 1 3 365.478 -1.227 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000652505431 482865330 /nfs/dbraw/zinc/86/53/30/482865330.db2.gz QEMUKDKSJYKESL-SFHVURJKSA-N 1 3 365.478 -1.227 20 0 FAADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)[C@@H]2C1 ZINC000652505447 482865255 /nfs/dbraw/zinc/86/52/55/482865255.db2.gz SJQPCLHVDALGAG-LSDHHAIUSA-N 1 3 365.478 -1.229 20 0 FAADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000652623788 482874393 /nfs/dbraw/zinc/87/43/93/482874393.db2.gz RNTBCFGXRZIGMI-HNNXBMFYSA-N 1 3 363.466 -1.111 20 0 FAADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000652623789 482873447 /nfs/dbraw/zinc/87/34/47/482873447.db2.gz RNTBCFGXRZIGMI-OAHLLOKOSA-N 1 3 363.466 -1.111 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000652679090 482905691 /nfs/dbraw/zinc/90/56/91/482905691.db2.gz WNJHRSGOZQWCEC-GDBMZVCRSA-N 1 3 369.510 -1.049 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000652679156 482905516 /nfs/dbraw/zinc/90/55/16/482905516.db2.gz YXDAMSHEFQTFGL-HUUCEWRRSA-N 1 3 369.510 -1.049 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652683785 482907030 /nfs/dbraw/zinc/90/70/30/482907030.db2.gz XUSVOKCOIHEUSP-HZPDHXFCSA-N 1 3 369.510 -1.048 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652694462 482832032 /nfs/dbraw/zinc/83/20/32/482832032.db2.gz XYPDITQVHWDVML-ARFHVFGLSA-N 1 3 369.510 -1.192 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652694463 482831765 /nfs/dbraw/zinc/83/17/65/482831765.db2.gz XYPDITQVHWDVML-BZUAXINKSA-N 1 3 369.510 -1.192 20 0 FAADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000652712413 482964070 /nfs/dbraw/zinc/96/40/70/482964070.db2.gz QRKHCUZNLFWBEB-UHFFFAOYSA-N 1 3 365.478 -1.002 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652712631 482963978 /nfs/dbraw/zinc/96/39/78/482963978.db2.gz XEJXMZRFPWMKAH-AWEZNQCLSA-N 1 3 365.478 -1.003 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652712632 482963237 /nfs/dbraw/zinc/96/32/37/482963237.db2.gz XEJXMZRFPWMKAH-CQSZACIVSA-N 1 3 365.478 -1.003 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652728775 483013072 /nfs/dbraw/zinc/01/30/72/483013072.db2.gz AATOYAQBVBXBKK-HZPDHXFCSA-N 1 3 369.510 -1.096 20 0 FAADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H]1C[NH3+] ZINC000652728847 483013518 /nfs/dbraw/zinc/01/35/18/483013518.db2.gz CYFPZFBPGOCWPI-HUUCEWRRSA-N 1 3 357.499 -1.240 20 0 FAADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cn1 ZINC000653121761 482567400 /nfs/dbraw/zinc/56/74/00/482567400.db2.gz BDVJRRULBZNJAD-LRDDRELGSA-N 1 3 350.423 -1.265 20 0 FAADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000653355122 483039308 /nfs/dbraw/zinc/03/93/08/483039308.db2.gz KDIURMUJRHEZIP-UHFFFAOYSA-N 1 3 353.467 -1.181 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1=O ZINC000653361528 483059739 /nfs/dbraw/zinc/05/97/39/483059739.db2.gz RJDKLBAGRJLUKP-UHFFFAOYSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000653373080 483082955 /nfs/dbraw/zinc/08/29/55/483082955.db2.gz CKCPPKFIGNLTIJ-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000653373080 483082951 /nfs/dbraw/zinc/08/29/51/483082951.db2.gz CKCPPKFIGNLTIJ-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000653373081 483083248 /nfs/dbraw/zinc/08/32/48/483083248.db2.gz CKCPPKFIGNLTIJ-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000653373081 483083242 /nfs/dbraw/zinc/08/32/42/483083242.db2.gz CKCPPKFIGNLTIJ-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000653373082 483082554 /nfs/dbraw/zinc/08/25/54/483082554.db2.gz CKCPPKFIGNLTIJ-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000653373082 483082547 /nfs/dbraw/zinc/08/25/47/483082547.db2.gz CKCPPKFIGNLTIJ-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000653373083 483083384 /nfs/dbraw/zinc/08/33/84/483083384.db2.gz CKCPPKFIGNLTIJ-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000653373083 483083378 /nfs/dbraw/zinc/08/33/78/483083378.db2.gz CKCPPKFIGNLTIJ-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000653374893 483085441 /nfs/dbraw/zinc/08/54/41/483085441.db2.gz RSUCARQJRVGPRK-AWEZNQCLSA-N 1 3 365.478 -1.181 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000653374893 483085435 /nfs/dbraw/zinc/08/54/35/483085435.db2.gz RSUCARQJRVGPRK-AWEZNQCLSA-N 1 3 365.478 -1.181 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000653374894 483084225 /nfs/dbraw/zinc/08/42/25/483084225.db2.gz RSUCARQJRVGPRK-CQSZACIVSA-N 1 3 365.478 -1.181 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000653374894 483084222 /nfs/dbraw/zinc/08/42/22/483084222.db2.gz RSUCARQJRVGPRK-CQSZACIVSA-N 1 3 365.478 -1.181 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000653376498 483084466 /nfs/dbraw/zinc/08/44/66/483084466.db2.gz CDLCMZSTMOCVAT-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000653376498 483084461 /nfs/dbraw/zinc/08/44/61/483084461.db2.gz CDLCMZSTMOCVAT-CABCVRRESA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000653376499 483085269 /nfs/dbraw/zinc/08/52/69/483085269.db2.gz CDLCMZSTMOCVAT-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000653376499 483085262 /nfs/dbraw/zinc/08/52/62/483085262.db2.gz CDLCMZSTMOCVAT-GJZGRUSLSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000653376500 483085292 /nfs/dbraw/zinc/08/52/92/483085292.db2.gz CDLCMZSTMOCVAT-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000653376500 483085284 /nfs/dbraw/zinc/08/52/84/483085284.db2.gz CDLCMZSTMOCVAT-HUUCEWRRSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000653376501 483084311 /nfs/dbraw/zinc/08/43/11/483084311.db2.gz CDLCMZSTMOCVAT-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000653376501 483084307 /nfs/dbraw/zinc/08/43/07/483084307.db2.gz CDLCMZSTMOCVAT-LSDHHAIUSA-N 1 3 365.478 -1.038 20 0 FAADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000653396958 483097670 /nfs/dbraw/zinc/09/76/70/483097670.db2.gz JMWMJOCGJCCSQW-KBPBESRZSA-N 1 3 353.467 -1.182 20 0 FAADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000653396958 483097666 /nfs/dbraw/zinc/09/76/66/483097666.db2.gz JMWMJOCGJCCSQW-KBPBESRZSA-N 1 3 353.467 -1.182 20 0 FAADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000653396959 483098015 /nfs/dbraw/zinc/09/80/15/483098015.db2.gz JMWMJOCGJCCSQW-KGLIPLIRSA-N 1 3 353.467 -1.182 20 0 FAADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000653396959 483098014 /nfs/dbraw/zinc/09/80/14/483098014.db2.gz JMWMJOCGJCCSQW-KGLIPLIRSA-N 1 3 353.467 -1.182 20 0 FAADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000653396960 483097278 /nfs/dbraw/zinc/09/72/78/483097278.db2.gz JMWMJOCGJCCSQW-UONOGXRCSA-N 1 3 353.467 -1.182 20 0 FAADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000653396960 483097271 /nfs/dbraw/zinc/09/72/71/483097271.db2.gz JMWMJOCGJCCSQW-UONOGXRCSA-N 1 3 353.467 -1.182 20 0 FAADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000653396961 483097987 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C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000884601316 658782547 /nfs/dbraw/zinc/78/25/47/658782547.db2.gz HNLQJXHNJIIIBT-HZSPNIEDSA-N 1 3 353.467 -1.007 20 0 FAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000884601317 658782276 /nfs/dbraw/zinc/78/22/76/658782276.db2.gz HNLQJXHNJIIIBT-MCIONIFRSA-N 1 3 353.467 -1.007 20 0 FAADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000884601318 658782499 /nfs/dbraw/zinc/78/24/99/658782499.db2.gz HNLQJXHNJIIIBT-MGPQQGTHSA-N 1 3 353.467 -1.007 20 0 FAADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000884601319 658782161 /nfs/dbraw/zinc/78/21/61/658782161.db2.gz HNLQJXHNJIIIBT-RDBSUJKOSA-N 1 3 353.467 -1.007 20 0 FAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601833 658782443 /nfs/dbraw/zinc/78/24/43/658782443.db2.gz WTSGMPIMWCARAF-IHRRRGAJSA-N 1 3 351.451 -1.382 20 0 FAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884601834 658782467 /nfs/dbraw/zinc/78/24/67/658782467.db2.gz WTSGMPIMWCARAF-MELADBBJSA-N 1 3 351.451 -1.382 20 0 FAADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000885200243 658784799 /nfs/dbraw/zinc/78/47/99/658784799.db2.gz AKECJAQOGSDXBJ-UHFFFAOYSA-N 1 3 353.467 -1.003 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885201132 658785203 /nfs/dbraw/zinc/78/52/03/658785203.db2.gz RJEQGGMLWGEJRB-CYBMUJFWSA-N 1 3 353.467 -1.005 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885201133 658784686 /nfs/dbraw/zinc/78/46/86/658784686.db2.gz RJEQGGMLWGEJRB-ZDUSSCGKSA-N 1 3 353.467 -1.005 20 0 FAADHO O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000885224147 658785314 /nfs/dbraw/zinc/78/53/14/658785314.db2.gz JTJNGSBLVZGWCC-HNNXBMFYSA-N 1 3 353.467 -1.669 20 0 FAADHO O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000885224151 658785024 /nfs/dbraw/zinc/78/50/24/658785024.db2.gz JTJNGSBLVZGWCC-OAHLLOKOSA-N 1 3 353.467 -1.669 20 0 FAADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCN(C(C)=O)CC1)C2 ZINC000903491046 659328956 /nfs/dbraw/zinc/32/89/56/659328956.db2.gz SJGXLCNFFVKDRT-VBQJREDUSA-N 1 3 352.435 -1.111 20 0 FAADHO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000905021166 657973505 /nfs/dbraw/zinc/97/35/05/657973505.db2.gz FXIIVKCHAIBWSV-HNNXBMFYSA-N 1 3 357.499 -1.225 20 0 FAADHO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000905021166 657973504 /nfs/dbraw/zinc/97/35/04/657973504.db2.gz FXIIVKCHAIBWSV-HNNXBMFYSA-N 1 3 357.499 -1.225 20 0 FAADHO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000905021166 657973500 /nfs/dbraw/zinc/97/35/00/657973500.db2.gz FXIIVKCHAIBWSV-HNNXBMFYSA-N 1 3 357.499 -1.225 20 0 FAADHO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000905021167 657973671 /nfs/dbraw/zinc/97/36/71/657973671.db2.gz FXIIVKCHAIBWSV-OAHLLOKOSA-N 1 3 357.499 -1.225 20 0 FAADHO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000905021167 657973666 /nfs/dbraw/zinc/97/36/66/657973666.db2.gz FXIIVKCHAIBWSV-OAHLLOKOSA-N 1 3 357.499 -1.225 20 0 FAADHO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000905021167 657973663 /nfs/dbraw/zinc/97/36/63/657973663.db2.gz FXIIVKCHAIBWSV-OAHLLOKOSA-N 1 3 357.499 -1.225 20 0 FAADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCNCCNCC2)CCCO1 ZINC000910985236 657998479 /nfs/dbraw/zinc/99/84/79/657998479.db2.gz UVOXLNKTFJUECR-HNNXBMFYSA-N 1 3 355.483 -1.375 20 0 FAADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCNCCNCC2)CCCO1 ZINC000910985236 657998473 /nfs/dbraw/zinc/99/84/73/657998473.db2.gz UVOXLNKTFJUECR-HNNXBMFYSA-N 1 3 355.483 -1.375 20 0 FAADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCNCCNCC2)CCCO1 ZINC000910985237 657998972 /nfs/dbraw/zinc/99/89/72/657998972.db2.gz UVOXLNKTFJUECR-OAHLLOKOSA-N 1 3 355.483 -1.375 20 0 FAADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCNCCNCC2)CCCO1 ZINC000910985237 657998968 /nfs/dbraw/zinc/99/89/68/657998968.db2.gz UVOXLNKTFJUECR-OAHLLOKOSA-N 1 3 355.483 -1.375 20 0 FAADHO CN(CCNC(=O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000911053469 658000019 /nfs/dbraw/zinc/00/00/19/658000019.db2.gz PQMJSOSOYGGJQH-CYBMUJFWSA-N 1 3 352.435 -1.002 20 0 FAADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000911053470 658000110 /nfs/dbraw/zinc/00/01/10/658000110.db2.gz PQMJSOSOYGGJQH-ZDUSSCGKSA-N 1 3 352.435 -1.002 20 0 FAADHO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCNCCNCC2)CC1(C)C ZINC000911096270 658000717 /nfs/dbraw/zinc/00/07/17/658000717.db2.gz JBHSBMNHFKLAKH-UHFFFAOYSA-N 1 3 354.499 -1.850 20 0 FAADHO C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCNCCNCC2)CC1(C)C ZINC000911096270 658000708 /nfs/dbraw/zinc/00/07/08/658000708.db2.gz JBHSBMNHFKLAKH-UHFFFAOYSA-N 1 3 354.499 -1.850 20 0 FAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911099751 658001192 /nfs/dbraw/zinc/00/11/92/658001192.db2.gz BHVAUNFDACCTFK-HNNXBMFYSA-N 1 3 355.483 -1.425 20 0 FAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000911099751 658001177 /nfs/dbraw/zinc/00/11/77/658001177.db2.gz BHVAUNFDACCTFK-HNNXBMFYSA-N 1 3 355.483 -1.425 20 0 FAADHO COC[C@H]1CNCCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911099752 658000830 /nfs/dbraw/zinc/00/08/30/658000830.db2.gz BHVAUNFDACCTFK-OAHLLOKOSA-N 1 3 355.483 -1.425 20 0 FAADHO COC[C@H]1CNCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000911099752 658000825 /nfs/dbraw/zinc/00/08/25/658000825.db2.gz BHVAUNFDACCTFK-OAHLLOKOSA-N 1 3 355.483 -1.425 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000911187117 658003885 /nfs/dbraw/zinc/00/38/85/658003885.db2.gz MMNXDZKJKKWUBT-MCIONIFRSA-N 1 3 353.467 -1.149 20 0 FAADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000911187118 658003702 /nfs/dbraw/zinc/00/37/02/658003702.db2.gz MMNXDZKJKKWUBT-MGPQQGTHSA-N 1 3 353.467 -1.149 20 0 FAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000911187373 658003997 /nfs/dbraw/zinc/00/39/97/658003997.db2.gz ONJBIFPYPXIARZ-MCIONIFRSA-N 1 3 353.467 -1.231 20 0 FAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000911187374 658004021 /nfs/dbraw/zinc/00/40/21/658004021.db2.gz ONJBIFPYPXIARZ-MGPQQGTHSA-N 1 3 353.467 -1.231 20 0 FAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911188737 658003417 /nfs/dbraw/zinc/00/34/17/658003417.db2.gz VWKKCHJRRVMWOW-KBPBESRZSA-N 1 3 353.467 -1.005 20 0 FAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911188738 658004046 /nfs/dbraw/zinc/00/40/46/658004046.db2.gz VWKKCHJRRVMWOW-UONOGXRCSA-N 1 3 353.467 -1.005 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911373337 658009733 /nfs/dbraw/zinc/00/97/33/658009733.db2.gz DQXGCDRDBOQQOM-ZIAGYGMSSA-N 1 3 353.467 -1.277 20 0 FAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000911374545 658010151 /nfs/dbraw/zinc/01/01/51/658010151.db2.gz RLDLRLDOPXWKQD-ZIAGYGMSSA-N 1 3 351.451 -1.523 20 0 FAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000911374548 658010410 /nfs/dbraw/zinc/01/04/10/658010410.db2.gz RNCVXUOUHSXVSC-MCIONIFRSA-N 1 3 351.451 -1.525 20 0 FAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000911374549 658010643 /nfs/dbraw/zinc/01/06/43/658010643.db2.gz RNCVXUOUHSXVSC-MGPQQGTHSA-N 1 3 351.451 -1.525 20 0 FAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560066 658013521 /nfs/dbraw/zinc/01/35/21/658013521.db2.gz JEVNRKPAPKUYNR-HDJSIYSDSA-N 1 3 353.467 -1.148 20 0 FAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560104 658013774 /nfs/dbraw/zinc/01/37/74/658013774.db2.gz KODLOFRRTSFFNW-IHRRRGAJSA-N 1 3 351.451 -1.395 20 0 FAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911560105 658013595 /nfs/dbraw/zinc/01/35/95/658013595.db2.gz KODLOFRRTSFFNW-MGPQQGTHSA-N 1 3 351.451 -1.395 20 0 FAADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000911561363 658013926 /nfs/dbraw/zinc/01/39/26/658013926.db2.gz YDTOHICDTMJMDZ-HDJSIYSDSA-N 1 3 351.451 -1.394 20 0 FAADHO O=C(NC[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000923577352 658425252 /nfs/dbraw/zinc/42/52/52/658425252.db2.gz UIUVSHJMAKVVLQ-KBPBESRZSA-N 1 3 359.496 -1.283 20 0 FAADHO O=C(NC[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000923577357 658425406 /nfs/dbraw/zinc/42/54/06/658425406.db2.gz UIUVSHJMAKVVLQ-KGLIPLIRSA-N 1 3 359.496 -1.283 20 0 FAADHO O=C(NC[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1)[C@H]1CCC[NH2+]1 ZINC000923577359 658425629 /nfs/dbraw/zinc/42/56/29/658425629.db2.gz UIUVSHJMAKVVLQ-UONOGXRCSA-N 1 3 359.496 -1.283 20 0 FAADHO O=C(NC[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1)[C@H]1CCC[NH2+]1 ZINC000923577362 658425469 /nfs/dbraw/zinc/42/54/69/658425469.db2.gz UIUVSHJMAKVVLQ-ZIAGYGMSSA-N 1 3 359.496 -1.283 20 0 FAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926329150 658795448 /nfs/dbraw/zinc/79/54/48/658795448.db2.gz WLFFFCGLJSFZNJ-PBHICJAKSA-N 1 3 356.467 -1.132 20 0 FAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926329152 658795513 /nfs/dbraw/zinc/79/55/13/658795513.db2.gz WLFFFCGLJSFZNJ-RHSMWYFYSA-N 1 3 356.467 -1.132 20 0 FAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926329154 658795301 /nfs/dbraw/zinc/79/53/01/658795301.db2.gz WLFFFCGLJSFZNJ-WMLDXEAASA-N 1 3 356.467 -1.132 20 0 FAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926329156 658795694 /nfs/dbraw/zinc/79/56/94/658795694.db2.gz WLFFFCGLJSFZNJ-YOEHRIQHSA-N 1 3 356.467 -1.132 20 0 FAADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCNCCNCC1 ZINC000926330952 658795421 /nfs/dbraw/zinc/79/54/21/658795421.db2.gz CTPRRZGYVZDYDA-UHFFFAOYSA-N 1 3 357.499 -1.175 20 0 FAADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC000926386071 658797170 /nfs/dbraw/zinc/79/71/70/658797170.db2.gz BHPHGUYGPINTMD-HNNXBMFYSA-N 1 3 355.483 -1.423 20 0 FAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC000926386073 658797250 /nfs/dbraw/zinc/79/72/50/658797250.db2.gz BHPHGUYGPINTMD-OAHLLOKOSA-N 1 3 355.483 -1.423 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000931647442 658810312 /nfs/dbraw/zinc/81/03/12/658810312.db2.gz GRPBMFRPXBGPTB-AWEZNQCLSA-N 1 3 355.483 -1.077 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC000931647443 658810909 /nfs/dbraw/zinc/81/09/09/658810909.db2.gz GRPBMFRPXBGPTB-CQSZACIVSA-N 1 3 355.483 -1.077 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000932394132 658813688 /nfs/dbraw/zinc/81/36/88/658813688.db2.gz KVFSWYWONVKIKK-ILXRZTDVSA-N 1 3 356.467 -1.142 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000932394134 658815021 /nfs/dbraw/zinc/81/50/21/658815021.db2.gz KVFSWYWONVKIKK-KFWWJZLASA-N 1 3 356.467 -1.142 20 0 FAADHO COc1nn(C)cc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000933818108 657264733 /nfs/dbraw/zinc/26/47/33/657264733.db2.gz QGFXBNNKQDEPSU-UHFFFAOYSA-N 1 3 354.455 -1.003 20 0 FAADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001020171336 659222383 /nfs/dbraw/zinc/22/23/83/659222383.db2.gz XRSCNUWSZZGKBN-AAVRWANBSA-N 1 3 351.451 -1.478 20 0 FAADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)N3CCNC(=O)C3)C2)CC[N@@H+]1C ZINC001020171336 659222378 /nfs/dbraw/zinc/22/23/78/659222378.db2.gz XRSCNUWSZZGKBN-AAVRWANBSA-N 1 3 351.451 -1.478 20 0 FAADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001022105274 657260472 /nfs/dbraw/zinc/26/04/72/657260472.db2.gz XRSCNUWSZZGKBN-YIYPIFLZSA-N 1 3 351.451 -1.478 20 0 FAADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCNC(=O)C3)C2)CC[N@@H+]1C ZINC001022105274 657260466 /nfs/dbraw/zinc/26/04/66/657260466.db2.gz XRSCNUWSZZGKBN-YIYPIFLZSA-N 1 3 351.451 -1.478 20 0 FAADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082920300 680048701 /nfs/dbraw/zinc/04/87/01/680048701.db2.gz YMEQXXYZUZZDFQ-HZSPNIEDSA-N 1 3 351.451 -1.667 20 0 FAADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082920300 680048699 /nfs/dbraw/zinc/04/86/99/680048699.db2.gz YMEQXXYZUZZDFQ-HZSPNIEDSA-N 1 3 351.451 -1.667 20 0 FAADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082920301 680048583 /nfs/dbraw/zinc/04/85/83/680048583.db2.gz YMEQXXYZUZZDFQ-MGPQQGTHSA-N 1 3 351.451 -1.667 20 0 FAADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082920301 680048581 /nfs/dbraw/zinc/04/85/81/680048581.db2.gz YMEQXXYZUZZDFQ-MGPQQGTHSA-N 1 3 351.451 -1.667 20 0 FAADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513467 792638064 /nfs/dbraw/zinc/63/80/64/792638064.db2.gz LWHDQZXYPOEMST-ZIAGYGMSSA-N 1 3 364.512 -1.202 20 0 FAADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514306 792637898 /nfs/dbraw/zinc/63/78/98/792637898.db2.gz TVUSKHAYMOMWFN-FRRDWIJNSA-N 1 3 357.455 -1.168 20 0 FAADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514307 792637811 /nfs/dbraw/zinc/63/78/11/792637811.db2.gz TVUSKHAYMOMWFN-JHJVBQTASA-N 1 3 357.455 -1.168 20 0 FAADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641837 792652562 /nfs/dbraw/zinc/65/25/62/792652562.db2.gz GGWFFDQAAYOCSZ-CHWSQXEVSA-N 1 3 357.455 -1.166 20 0 FAADHO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC001117022505 792701046 /nfs/dbraw/zinc/70/10/46/792701046.db2.gz KAZRSHRUQVOMHK-HNNXBMFYSA-N 1 3 355.483 -1.423 20 0 FAADHO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC001117022505 792701039 /nfs/dbraw/zinc/70/10/39/792701039.db2.gz KAZRSHRUQVOMHK-HNNXBMFYSA-N 1 3 355.483 -1.423 20 0 FAADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC001117022506 792700955 /nfs/dbraw/zinc/70/09/55/792700955.db2.gz KAZRSHRUQVOMHK-OAHLLOKOSA-N 1 3 355.483 -1.423 20 0 FAADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCN1CCOCC1 ZINC001117022506 792700948 /nfs/dbraw/zinc/70/09/48/792700948.db2.gz KAZRSHRUQVOMHK-OAHLLOKOSA-N 1 3 355.483 -1.423 20 0 FAADHO COC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC001117858348 792743136 /nfs/dbraw/zinc/74/31/36/792743136.db2.gz JYVNOTHSDUOACZ-CYBMUJFWSA-N 1 3 358.439 -1.661 20 0 FAADHO COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC001117858349 792743217 /nfs/dbraw/zinc/74/32/17/792743217.db2.gz JYVNOTHSDUOACZ-ZDUSSCGKSA-N 1 3 358.439 -1.661 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001117858881 792742988 /nfs/dbraw/zinc/74/29/88/792742988.db2.gz SCIUROJMFYFEIR-KRWDZBQOSA-N 1 3 353.467 -1.323 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001117858882 792742894 /nfs/dbraw/zinc/74/28/94/792742894.db2.gz SCIUROJMFYFEIR-QGZVFWFLSA-N 1 3 353.467 -1.323 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001117859069 792743280 /nfs/dbraw/zinc/74/32/80/792743280.db2.gz VIRZVTZGEOJCSN-UHFFFAOYSA-N 1 3 365.500 -2.054 20 0 FAADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001117980621 792746141 /nfs/dbraw/zinc/74/61/41/792746141.db2.gz JQVPCJPLGGGQIX-KBPBESRZSA-N 1 3 353.467 -1.134 20 0 FAADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001117980622 792746069 /nfs/dbraw/zinc/74/60/69/792746069.db2.gz JQVPCJPLGGGQIX-KGLIPLIRSA-N 1 3 353.467 -1.134 20 0 FAADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001117980623 792745849 /nfs/dbraw/zinc/74/58/49/792745849.db2.gz JQVPCJPLGGGQIX-UONOGXRCSA-N 1 3 353.467 -1.134 20 0 FAADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001117980624 792745972 /nfs/dbraw/zinc/74/59/72/792745972.db2.gz JQVPCJPLGGGQIX-ZIAGYGMSSA-N 1 3 353.467 -1.134 20 0 FAADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001118045778 792746106 /nfs/dbraw/zinc/74/61/06/792746106.db2.gz VXOYRDIAQMWZDU-AWEZNQCLSA-N 1 3 353.467 -1.133 20 0 FAADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001118045779 792745781 /nfs/dbraw/zinc/74/57/81/792745781.db2.gz VXOYRDIAQMWZDU-CQSZACIVSA-N 1 3 353.467 -1.133 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC001118321399 792762566 /nfs/dbraw/zinc/76/25/66/792762566.db2.gz LISGCKBFYPOYSR-AWEZNQCLSA-N 1 3 353.467 -1.371 20 0 FAADHO CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC001118321400 792762491 /nfs/dbraw/zinc/76/24/91/792762491.db2.gz LISGCKBFYPOYSR-CQSZACIVSA-N 1 3 353.467 -1.371 20 0 FAADHO CO[C@@]1(CO)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001118444165 792768405 /nfs/dbraw/zinc/76/84/05/792768405.db2.gz IRFBWEYBCWJMTQ-KRWDZBQOSA-N 1 3 358.483 -1.062 20 0 FAADHO CO[C@]1(CO)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001118444166 792768755 /nfs/dbraw/zinc/76/87/55/792768755.db2.gz IRFBWEYBCWJMTQ-QGZVFWFLSA-N 1 3 358.483 -1.062 20 0 FAADHO O=C(CCCC(=O)NCC[N@H+]1CC[C@H](O)C1)NCCN1CC[C@H](O)C1 ZINC001118963779 792800976 /nfs/dbraw/zinc/80/09/76/792800976.db2.gz XGBTZTCZQCFBDD-GJZGRUSLSA-N 1 3 356.467 -1.478 20 0 FAADHO O=C(CCCC(=O)NCC[N@@H+]1CC[C@H](O)C1)NCCN1CC[C@H](O)C1 ZINC001118963779 792800962 /nfs/dbraw/zinc/80/09/62/792800962.db2.gz XGBTZTCZQCFBDD-GJZGRUSLSA-N 1 3 356.467 -1.478 20 0 FAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001120331997 792819072 /nfs/dbraw/zinc/81/90/72/792819072.db2.gz AJNATBRLWWARQT-OKILXGFUSA-N 1 3 374.507 -1.559 20 0 FAADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001127570652 790476818 /nfs/dbraw/zinc/47/68/18/790476818.db2.gz ANTSAIRXZSXXSP-OCCSQVGLSA-N 1 3 355.439 -1.366 20 0 FAADHO COCCCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643660 790487696 /nfs/dbraw/zinc/48/76/96/790487696.db2.gz FTGSWCMFTYFNKW-ZIAGYGMSSA-N 1 3 364.512 -1.012 20 0 FAADHO COCCCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643660 790487690 /nfs/dbraw/zinc/48/76/90/790487690.db2.gz FTGSWCMFTYFNKW-ZIAGYGMSSA-N 1 3 364.512 -1.012 20 0 FAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC001127643785 790487880 /nfs/dbraw/zinc/48/78/80/790487880.db2.gz LJLNCSUECASLOM-TZMCWYRMSA-N 1 3 353.467 -1.244 20 0 FAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC(C(N)=O)CC2)CC[N@@H+]1C ZINC001127643785 790487872 /nfs/dbraw/zinc/48/78/72/790487872.db2.gz LJLNCSUECASLOM-TZMCWYRMSA-N 1 3 353.467 -1.244 20 0 FAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001127643867 790487843 /nfs/dbraw/zinc/48/78/43/790487843.db2.gz PAIAQTSXMDTWKR-UKRRQHHQSA-N 1 3 353.467 -1.277 20 0 FAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001127643867 790487839 /nfs/dbraw/zinc/48/78/39/790487839.db2.gz PAIAQTSXMDTWKR-UKRRQHHQSA-N 1 3 353.467 -1.277 20 0 FAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC001127652853 790487430 /nfs/dbraw/zinc/48/74/30/790487430.db2.gz FTDHACICCQKZTC-HZSPNIEDSA-N 1 3 353.467 -1.244 20 0 FAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC001127652853 790487423 /nfs/dbraw/zinc/48/74/23/790487423.db2.gz FTDHACICCQKZTC-HZSPNIEDSA-N 1 3 353.467 -1.244 20 0 FAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC001127652854 790487125 /nfs/dbraw/zinc/48/71/25/790487125.db2.gz FTDHACICCQKZTC-MGPQQGTHSA-N 1 3 353.467 -1.244 20 0 FAADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC001127652854 790487121 /nfs/dbraw/zinc/48/71/21/790487121.db2.gz FTDHACICCQKZTC-MGPQQGTHSA-N 1 3 353.467 -1.244 20 0 FAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660268 790487206 /nfs/dbraw/zinc/48/72/06/790487206.db2.gz TWKVPRALMITKTQ-JHJVBQTASA-N 1 3 357.455 -1.107 20 0 FAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660268 790487189 /nfs/dbraw/zinc/48/71/89/790487189.db2.gz TWKVPRALMITKTQ-JHJVBQTASA-N 1 3 357.455 -1.107 20 0 FAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660272 790487634 /nfs/dbraw/zinc/48/76/34/790487634.db2.gz TWKVPRALMITKTQ-YNEHKIRRSA-N 1 3 357.455 -1.107 20 0 FAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660272 790487627 /nfs/dbraw/zinc/48/76/27/790487627.db2.gz TWKVPRALMITKTQ-YNEHKIRRSA-N 1 3 357.455 -1.107 20 0 FAADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910308 790779331 /nfs/dbraw/zinc/77/93/31/790779331.db2.gz NBWIMCXBZPDWBC-KFWWJZLASA-N 1 3 354.455 -1.031 20 0 FAADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910355 790779248 /nfs/dbraw/zinc/77/92/48/790779248.db2.gz PIBFLMLWVTXHFG-TUVASFSCSA-N 1 3 354.455 -1.033 20 0 FAADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910356 790779594 /nfs/dbraw/zinc/77/95/94/790779594.db2.gz PIBFLMLWVTXHFG-YJNKXOJESA-N 1 3 354.455 -1.033 20 0 FAADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129982986 790783705 /nfs/dbraw/zinc/78/37/05/790783705.db2.gz LUSOZWLQAKVKDT-CABCVRRESA-N 1 3 354.455 -1.030 20 0 FAADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007612 790786822 /nfs/dbraw/zinc/78/68/22/790786822.db2.gz NBWIMCXBZPDWBC-ILXRZTDVSA-N 1 3 354.455 -1.031 20 0 FAADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007659 790786959 /nfs/dbraw/zinc/78/69/59/790786959.db2.gz PIBFLMLWVTXHFG-KBXIAJHMSA-N 1 3 354.455 -1.033 20 0 FAADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007660 790787252 /nfs/dbraw/zinc/78/72/52/790787252.db2.gz PIBFLMLWVTXHFG-XGUBFFRZSA-N 1 3 354.455 -1.033 20 0 FAADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130047513 790789598 /nfs/dbraw/zinc/78/95/98/790789598.db2.gz FEQHALLLIIVUHE-CABCVRRESA-N 1 3 354.455 -1.030 20 0 FAADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130047705 790789098 /nfs/dbraw/zinc/78/90/98/790789098.db2.gz OOBCTEFGYGNCDL-KFWWJZLASA-N 1 3 354.455 -1.031 20 0 FAADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130047706 790789837 /nfs/dbraw/zinc/78/98/37/790789837.db2.gz OOBCTEFGYGNCDL-ZNMIVQPWSA-N 1 3 354.455 -1.031 20 0 FAADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130074857 790790753 /nfs/dbraw/zinc/79/07/53/790790753.db2.gz IDKPGIWXMPSVRK-CABCVRRESA-N 1 3 354.455 -1.030 20 0 FAADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130074857 790790740 /nfs/dbraw/zinc/79/07/40/790790740.db2.gz IDKPGIWXMPSVRK-CABCVRRESA-N 1 3 354.455 -1.030 20 0 FAADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130107185 790792040 /nfs/dbraw/zinc/79/20/40/790792040.db2.gz IEJIALJQDTYMFE-KFWWJZLASA-N 1 3 354.455 -1.031 20 0 FAADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)[C@@H](n2ccnn2)C1 ZINC001130107186 790792269 /nfs/dbraw/zinc/79/22/69/790792269.db2.gz IEJIALJQDTYMFE-ZNMIVQPWSA-N 1 3 354.455 -1.031 20 0 FAADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130107684 790791616 /nfs/dbraw/zinc/79/16/16/790791616.db2.gz VNPOPQYCEPCQGF-CABCVRRESA-N 1 3 354.455 -1.030 20 0 FAADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123627 790793250 /nfs/dbraw/zinc/79/32/50/790793250.db2.gz WNDJXKJMXFCESP-KFWWJZLASA-N 1 3 352.439 -1.420 20 0 FAADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123627 790793236 /nfs/dbraw/zinc/79/32/36/790793236.db2.gz WNDJXKJMXFCESP-KFWWJZLASA-N 1 3 352.439 -1.420 20 0 FAADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123628 790792999 /nfs/dbraw/zinc/79/29/99/790792999.db2.gz WNDJXKJMXFCESP-ZNMIVQPWSA-N 1 3 352.439 -1.420 20 0 FAADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130123628 790792989 /nfs/dbraw/zinc/79/29/89/790792989.db2.gz WNDJXKJMXFCESP-ZNMIVQPWSA-N 1 3 352.439 -1.420 20 0 FAADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137143 790794359 /nfs/dbraw/zinc/79/43/59/790794359.db2.gz LKWRYSYHIXUIGP-KFWWJZLASA-N 1 3 354.455 -1.033 20 0 FAADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137144 790794317 /nfs/dbraw/zinc/79/43/17/790794317.db2.gz LKWRYSYHIXUIGP-ZNMIVQPWSA-N 1 3 354.455 -1.033 20 0 FAADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001130137422 790795621 /nfs/dbraw/zinc/79/56/21/790795621.db2.gz YOKJKJLYNJDKHU-CABCVRRESA-N 1 3 354.455 -1.031 20 0 FAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001142942599 792848864 /nfs/dbraw/zinc/84/88/64/792848864.db2.gz VFYKEUDRTRIECG-AQUXLQGKSA-N 1 3 360.455 -1.233 20 0 FAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001142942603 792849461 /nfs/dbraw/zinc/84/94/61/792849461.db2.gz VFYKEUDRTRIECG-MAWRTODSSA-N 1 3 360.455 -1.233 20 0 FAADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142942606 792849253 /nfs/dbraw/zinc/84/92/53/792849253.db2.gz VFYKEUDRTRIECG-QGJZQDQRSA-N 1 3 360.455 -1.233 20 0 FAADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001142942609 792849441 /nfs/dbraw/zinc/84/94/41/792849441.db2.gz VFYKEUDRTRIECG-SFUXALCOSA-N 1 3 360.455 -1.233 20 0 FAADHO CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)S(=O)(=O)CCN ZINC001156231827 790670476 /nfs/dbraw/zinc/67/04/76/790670476.db2.gz OEYCMJSVKJWMIK-UHFFFAOYSA-N 1 3 363.465 -1.707 20 0 FAADHO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157304026 792873244 /nfs/dbraw/zinc/87/32/44/792873244.db2.gz RKGRQZPKYYAOTN-KBPBESRZSA-N 1 3 352.439 -1.250 20 0 FAADHO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157304026 792873232 /nfs/dbraw/zinc/87/32/32/792873232.db2.gz RKGRQZPKYYAOTN-KBPBESRZSA-N 1 3 352.439 -1.250 20 0 FAADHO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157304027 792873297 /nfs/dbraw/zinc/87/32/97/792873297.db2.gz RKGRQZPKYYAOTN-KGLIPLIRSA-N 1 3 352.439 -1.250 20 0 FAADHO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157304027 792873286 /nfs/dbraw/zinc/87/32/86/792873286.db2.gz RKGRQZPKYYAOTN-KGLIPLIRSA-N 1 3 352.439 -1.250 20 0 FAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001157337892 792874640 /nfs/dbraw/zinc/87/46/40/792874640.db2.gz YCMIGXPYOQXFDE-SRVKXCTJSA-N 1 3 357.455 -1.343 20 0 FAADHO [NH3+]CCCC[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)C(=O)N1CCCC1 ZINC001157370425 792874776 /nfs/dbraw/zinc/87/47/76/792874776.db2.gz AYLNJTFWFKHVJC-KBPBESRZSA-N 1 3 353.467 -1.447 20 0 FAADHO [NH3+]CCCC[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)C(=O)N1CCCC1 ZINC001157370426 792874079 /nfs/dbraw/zinc/87/40/79/792874079.db2.gz AYLNJTFWFKHVJC-UONOGXRCSA-N 1 3 353.467 -1.447 20 0 FAADHO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421711 792874113 /nfs/dbraw/zinc/87/41/13/792874113.db2.gz AQYYZUOTZRCVLE-FCUGXXHSSA-N 1 3 363.455 -1.994 20 0 FAADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157717192 792876907 /nfs/dbraw/zinc/87/69/07/792876907.db2.gz YDSNASUGOVOUCV-OLZOCXBDSA-N 1 3 350.423 -1.239 20 0 FAADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001157717193 792876568 /nfs/dbraw/zinc/87/65/68/792876568.db2.gz YDSNASUGOVOUCV-STQMWFEESA-N 1 3 350.423 -1.239 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904791 792877543 /nfs/dbraw/zinc/87/75/43/792877543.db2.gz NTCDZWQPAMFOGU-AJNGGQMLSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904792 792877362 /nfs/dbraw/zinc/87/73/62/792877362.db2.gz NTCDZWQPAMFOGU-CBBWQLFWSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904793 792877531 /nfs/dbraw/zinc/87/75/31/792877531.db2.gz NTCDZWQPAMFOGU-QPSCCSFWSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904794 792877385 /nfs/dbraw/zinc/87/73/85/792877385.db2.gz NTCDZWQPAMFOGU-ZQDZILKHSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934749 792878493 /nfs/dbraw/zinc/87/84/93/792878493.db2.gz OKWHSSKNNACIRS-AJNGGQMLSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934750 792878257 /nfs/dbraw/zinc/87/82/57/792878257.db2.gz OKWHSSKNNACIRS-CBBWQLFWSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934751 792878334 /nfs/dbraw/zinc/87/83/34/792878334.db2.gz OKWHSSKNNACIRS-QPSCCSFWSA-N 1 3 356.467 -1.365 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934752 792878922 /nfs/dbraw/zinc/87/89/22/792878922.db2.gz OKWHSSKNNACIRS-ZQDZILKHSA-N 1 3 356.467 -1.365 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCOC2(CC[NH2+]CC2)C1)C(N)=O ZINC001158076539 792879329 /nfs/dbraw/zinc/87/93/29/792879329.db2.gz IRAFFFMUAOBSLT-NWDGAFQWSA-N 1 3 355.439 -1.935 20 0 FAADHO N[C@@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001158102407 792879677 /nfs/dbraw/zinc/87/96/77/792879677.db2.gz ROPPSTJRYXCUEY-GDBMZVCRSA-N 1 3 352.435 -1.063 20 0 FAADHO N[C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001158102408 792879941 /nfs/dbraw/zinc/87/99/41/792879941.db2.gz ROPPSTJRYXCUEY-GOEBONIOSA-N 1 3 352.435 -1.063 20 0 FAADHO N[C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001158102409 792879986 /nfs/dbraw/zinc/87/99/86/792879986.db2.gz ROPPSTJRYXCUEY-HOCLYGCPSA-N 1 3 352.435 -1.063 20 0 FAADHO N[C@@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CCC2(CC1)OCCO2 ZINC001158102410 792879886 /nfs/dbraw/zinc/87/98/86/792879886.db2.gz ROPPSTJRYXCUEY-ZBFHGGJFSA-N 1 3 352.435 -1.063 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C(N)=O ZINC001158102532 792879963 /nfs/dbraw/zinc/87/99/63/792879963.db2.gz UCIXHZRGSFPHNG-FEUHOPSXSA-N 1 3 354.411 -3.226 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C(N)=O ZINC001158102535 792879507 /nfs/dbraw/zinc/87/95/07/792879507.db2.gz UCIXHZRGSFPHNG-WMFXKJRFSA-N 1 3 354.411 -3.226 20 0 FAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)COC1(C)C ZINC001158102875 792879919 /nfs/dbraw/zinc/87/99/19/792879919.db2.gz XCTAAMNLWWGRDP-MMPTUQATSA-N 1 3 353.423 -2.012 20 0 FAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)COC1(C)C ZINC001158102876 792879784 /nfs/dbraw/zinc/87/97/84/792879784.db2.gz XCTAAMNLWWGRDP-XMZIXOGTSA-N 1 3 353.423 -2.012 20 0 FAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118591 792879659 /nfs/dbraw/zinc/87/96/59/792879659.db2.gz BBTUPQWFBISBAB-ABAIWWIYSA-N 1 3 368.459 -2.299 20 0 FAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118592 792879770 /nfs/dbraw/zinc/87/97/70/792879770.db2.gz BBTUPQWFBISBAB-IAQYHMDHSA-N 1 3 368.459 -2.299 20 0 FAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118593 792880072 /nfs/dbraw/zinc/88/00/72/792880072.db2.gz BBTUPQWFBISBAB-NHYWBVRUSA-N 1 3 368.459 -2.299 20 0 FAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118594 792879434 /nfs/dbraw/zinc/87/94/34/792879434.db2.gz BBTUPQWFBISBAB-XHDPSFHLSA-N 1 3 368.459 -2.299 20 0 FAADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118605 792879716 /nfs/dbraw/zinc/87/97/16/792879716.db2.gz BISGGGWRKISDRW-SJCJKPOMSA-N 1 3 351.451 -1.586 20 0 FAADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118606 792879528 /nfs/dbraw/zinc/87/95/28/792879528.db2.gz BISGGGWRKISDRW-YVEFUNNKSA-N 1 3 351.451 -1.586 20 0 FAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120391 792880090 /nfs/dbraw/zinc/88/00/90/792880090.db2.gz LXBHBBZJNCEITM-BNLOLNQZSA-N 1 3 351.451 -1.586 20 0 FAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120392 792880687 /nfs/dbraw/zinc/88/06/87/792880687.db2.gz LXBHBBZJNCEITM-PLQHRBFRSA-N 1 3 351.451 -1.586 20 0 FAADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121657 792880898 /nfs/dbraw/zinc/88/08/98/792880898.db2.gz VSDXAORUJMFCKP-GUYCJALGSA-N 1 3 351.451 -1.442 20 0 FAADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121659 792880770 /nfs/dbraw/zinc/88/07/70/792880770.db2.gz VSDXAORUJMFCKP-SUMWQHHRSA-N 1 3 351.451 -1.442 20 0 FAADHO NC(=O)NCCC[C@@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260478 792880935 /nfs/dbraw/zinc/88/09/35/792880935.db2.gz DGWGVWJFOSFWNR-LLVKDONJSA-N 1 3 350.427 -1.525 20 0 FAADHO NC(=O)NCCC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260479 792880496 /nfs/dbraw/zinc/88/04/96/792880496.db2.gz DGWGVWJFOSFWNR-NSHDSACASA-N 1 3 350.427 -1.525 20 0 FAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001158496429 792882597 /nfs/dbraw/zinc/88/25/97/792882597.db2.gz NBFJCOWRRLMHJO-QNWHQSFQSA-N 1 3 371.459 -1.485 20 0 FAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001158496430 792882964 /nfs/dbraw/zinc/88/29/64/792882964.db2.gz NBFJCOWRRLMHJO-ZDEQEGDKSA-N 1 3 371.459 -1.485 20 0 FAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532425 792882490 /nfs/dbraw/zinc/88/24/90/792882490.db2.gz BRUNKKRAYDBOLH-GUIRCDHDSA-N 1 3 355.460 -1.258 20 0 FAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532426 792882813 /nfs/dbraw/zinc/88/28/13/792882813.db2.gz BRUNKKRAYDBOLH-KYEXWDHISA-N 1 3 355.460 -1.258 20 0 FAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532427 792882947 /nfs/dbraw/zinc/88/29/47/792882947.db2.gz BRUNKKRAYDBOLH-RGCMKSIDSA-N 1 3 355.460 -1.258 20 0 FAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532428 792884296 /nfs/dbraw/zinc/88/42/96/792884296.db2.gz BRUNKKRAYDBOLH-SFDCQRBFSA-N 1 3 355.460 -1.258 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546347 792883773 /nfs/dbraw/zinc/88/37/73/792883773.db2.gz LFVUKYMGJYAEJH-DKQGBHPVSA-N 1 3 353.423 -2.327 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546348 792884121 /nfs/dbraw/zinc/88/41/21/792884121.db2.gz LFVUKYMGJYAEJH-WUZDVNQZSA-N 1 3 353.423 -2.327 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C(N)=O ZINC001158577513 792883753 /nfs/dbraw/zinc/88/37/53/792883753.db2.gz ILPDORWLTXRWRK-FIQHERPVSA-N 1 3 357.430 -1.381 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C(N)=O ZINC001158577514 792884142 /nfs/dbraw/zinc/88/41/42/792884142.db2.gz ILPDORWLTXRWRK-IRCOFANPSA-N 1 3 357.430 -1.381 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C(N)=O ZINC001158577515 792884084 /nfs/dbraw/zinc/88/40/84/792884084.db2.gz ILPDORWLTXRWRK-NNYUYHANSA-N 1 3 357.430 -1.381 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C(N)=O ZINC001158577516 792883664 /nfs/dbraw/zinc/88/36/64/792883664.db2.gz ILPDORWLTXRWRK-WHOHXGKFSA-N 1 3 357.430 -1.381 20 0 FAADHO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158814416 792885207 /nfs/dbraw/zinc/88/52/07/792885207.db2.gz NCIFBBUUAQINFE-OLZOCXBDSA-N 1 3 374.507 -1.082 20 0 FAADHO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158814427 792884684 /nfs/dbraw/zinc/88/46/84/792884684.db2.gz NCIFBBUUAQINFE-STQMWFEESA-N 1 3 374.507 -1.082 20 0 FAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821208 792885903 /nfs/dbraw/zinc/88/59/03/792885903.db2.gz CQRFIPZLBBHEEO-LBPRGKRZSA-N 1 3 369.495 -1.528 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821411 792885698 /nfs/dbraw/zinc/88/56/98/792885698.db2.gz KWVHHGZYQMBHEN-ZDUSSCGKSA-N 1 3 351.455 -1.091 20 0 FAADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968015 792885882 /nfs/dbraw/zinc/88/58/82/792885882.db2.gz IVKDSVQYPAQSJA-XQQFMLRXSA-N 1 3 352.464 -1.088 20 0 FAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001158991219 792888747 /nfs/dbraw/zinc/88/87/47/792888747.db2.gz KTGAHGOYFWUDFC-GXTWGEPZSA-N 1 3 352.439 -1.330 20 0 FAADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001158991220 792888989 /nfs/dbraw/zinc/88/89/89/792888989.db2.gz KTGAHGOYFWUDFC-JSGCOSHPSA-N 1 3 352.439 -1.330 20 0 FAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001158991221 792888212 /nfs/dbraw/zinc/88/82/12/792888212.db2.gz KTGAHGOYFWUDFC-OCCSQVGLSA-N 1 3 352.439 -1.330 20 0 FAADHO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001158991222 792888154 /nfs/dbraw/zinc/88/81/54/792888154.db2.gz KTGAHGOYFWUDFC-TZMCWYRMSA-N 1 3 352.439 -1.330 20 0 FAADHO Cn1nnc2c1CCN(C(=O)[C@@H](N)CN)[C@@H]2COCC[NH+]1CCCC1 ZINC001159122788 792889739 /nfs/dbraw/zinc/88/97/39/792889739.db2.gz AEJSXYFPLLFOKN-GXTWGEPZSA-N 1 3 351.455 -1.361 20 0 FAADHO Cn1nnc2c1CCN(C(=O)[C@@H](N)CN)[C@H]2COCC[NH+]1CCCC1 ZINC001159122789 792889725 /nfs/dbraw/zinc/88/97/25/792889725.db2.gz AEJSXYFPLLFOKN-JSGCOSHPSA-N 1 3 351.455 -1.361 20 0 FAADHO CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)C2)C1 ZINC001159127498 792891469 /nfs/dbraw/zinc/89/14/69/792891469.db2.gz SSYCXBSDYVHESB-GRDNDAEWSA-N 1 3 353.467 -1.637 20 0 FAADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)C2)C1 ZINC001159127501 792891615 /nfs/dbraw/zinc/89/16/15/792891615.db2.gz SSYCXBSDYVHESB-ZQIUZPCESA-N 1 3 353.467 -1.637 20 0 FAADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159271616 792892434 /nfs/dbraw/zinc/89/24/34/792892434.db2.gz FRTHYPZEIBLOIJ-XQQFMLRXSA-N 1 3 352.464 -1.088 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291519 792891872 /nfs/dbraw/zinc/89/18/72/792891872.db2.gz PJXVTAVDBBAQDI-AAEUAGOBSA-N 1 3 351.451 -1.362 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291519 792891859 /nfs/dbraw/zinc/89/18/59/792891859.db2.gz PJXVTAVDBBAQDI-AAEUAGOBSA-N 1 3 351.451 -1.362 20 0 FAADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159492346 792893128 /nfs/dbraw/zinc/89/31/28/792893128.db2.gz HMNHUPWAPNDVKH-NSHDSACASA-N 1 3 368.463 -1.257 20 0 FAADHO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H](N)CCC[NH3+])C2)C1=O ZINC001159493862 792894214 /nfs/dbraw/zinc/89/42/14/792894214.db2.gz XKFZMXKCPFNODW-CXAGYDPISA-N 1 3 353.467 -1.018 20 0 FAADHO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H](N)CCC[NH3+])C2)C1=O ZINC001159493863 792894547 /nfs/dbraw/zinc/89/45/47/792894547.db2.gz XKFZMXKCPFNODW-DYVFJYSZSA-N 1 3 353.467 -1.018 20 0 FAADHO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H](N)CCC[NH3+])C2)C1=O ZINC001159493864 792894270 /nfs/dbraw/zinc/89/42/70/792894270.db2.gz XKFZMXKCPFNODW-GUYCJALGSA-N 1 3 353.467 -1.018 20 0 FAADHO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H](N)CCC[NH3+])C2)C1=O ZINC001159493865 792894741 /nfs/dbraw/zinc/89/47/41/792894741.db2.gz XKFZMXKCPFNODW-SUMWQHHRSA-N 1 3 353.467 -1.018 20 0 FAADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]2C1 ZINC001159999754 792895584 /nfs/dbraw/zinc/89/55/84/792895584.db2.gz SQYAEVHGVJJKNQ-WOPDTQHZSA-N 1 3 350.510 -1.112 20 0 FAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160007030 792895458 /nfs/dbraw/zinc/89/54/58/792895458.db2.gz BGFHVAQZHVZRJO-ILXRZTDVSA-N 1 3 373.523 -1.100 20 0 FAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]2C1 ZINC001160007031 792895131 /nfs/dbraw/zinc/89/51/31/792895131.db2.gz BGFHVAQZHVZRJO-QLFBSQMISA-N 1 3 373.523 -1.100 20 0 FAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001160007253 792897105 /nfs/dbraw/zinc/89/71/05/792897105.db2.gz HLJYNUPAFDWMIN-HZSPNIEDSA-N 1 3 371.507 -1.618 20 0 FAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]2C1 ZINC001160007254 792896617 /nfs/dbraw/zinc/89/66/17/792896617.db2.gz HLJYNUPAFDWMIN-RDBSUJKOSA-N 1 3 371.507 -1.618 20 0 FAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001160171357 792898105 /nfs/dbraw/zinc/89/81/05/792898105.db2.gz LFPVNMRQOLXSNN-WMLDXEAASA-N 1 3 353.467 -1.005 20 0 FAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001160171358 792897586 /nfs/dbraw/zinc/89/75/86/792897586.db2.gz LFPVNMRQOLXSNN-YOEHRIQHSA-N 1 3 353.467 -1.005 20 0 FAADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160218053 792897512 /nfs/dbraw/zinc/89/75/12/792897512.db2.gz PIRJZYNGQPHKQJ-DRZSPHRISA-N 1 3 352.464 -1.140 20 0 FAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160381530 792899485 /nfs/dbraw/zinc/89/94/85/792899485.db2.gz WWTMYJUJLITFOW-LLVKDONJSA-N 1 3 353.427 -1.709 20 0 FAADHO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160381533 792899381 /nfs/dbraw/zinc/89/93/81/792899381.db2.gz WWTMYJUJLITFOW-NSHDSACASA-N 1 3 353.427 -1.709 20 0 FAADHO COCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1CC[NH+](C)CC1 ZINC001160439177 792900158 /nfs/dbraw/zinc/90/01/58/792900158.db2.gz HGOHSNIKGULCHL-AAEUAGOBSA-N 1 3 357.455 -1.737 20 0 FAADHO NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160456538 792900984 /nfs/dbraw/zinc/90/09/84/792900984.db2.gz MLICAPMHXUSKNC-STQMWFEESA-N 1 3 354.455 -1.343 20 0 FAADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160492834 792901117 /nfs/dbraw/zinc/90/11/17/792901117.db2.gz IHDJWJOQMPSUMT-NRPADANISA-N 1 3 351.450 -1.378 20 0 FAADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160492835 792901265 /nfs/dbraw/zinc/90/12/65/792901265.db2.gz IHDJWJOQMPSUMT-OYNCUSHFSA-N 1 3 351.450 -1.378 20 0 FAADHO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160492836 792902412 /nfs/dbraw/zinc/90/24/12/792902412.db2.gz IHDJWJOQMPSUMT-QXFUBDJGSA-N 1 3 351.450 -1.378 20 0 FAADHO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160492837 792902343 /nfs/dbraw/zinc/90/23/43/792902343.db2.gz IHDJWJOQMPSUMT-XKSSXDPKSA-N 1 3 351.450 -1.378 20 0 FAADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160494330 792902563 /nfs/dbraw/zinc/90/25/63/792902563.db2.gz SELCONOWHPYALL-DZHLUBAWSA-N 1 3 357.432 -1.198 20 0 FAADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160494332 792901998 /nfs/dbraw/zinc/90/19/98/792901998.db2.gz SELCONOWHPYALL-JNIYBQFBSA-N 1 3 357.432 -1.198 20 0 FAADHO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160494334 792902183 /nfs/dbraw/zinc/90/21/83/792902183.db2.gz SELCONOWHPYALL-UYUMYWFVSA-N 1 3 357.432 -1.198 20 0 FAADHO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160494337 792902492 /nfs/dbraw/zinc/90/24/92/792902492.db2.gz SELCONOWHPYALL-YYHMBLRTSA-N 1 3 357.432 -1.198 20 0 FAADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160584240 792902464 /nfs/dbraw/zinc/90/24/64/792902464.db2.gz ANIANXLDEMUHDS-GDBMZVCRSA-N 1 3 358.508 -1.236 20 0 FAADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160584248 792902594 /nfs/dbraw/zinc/90/25/94/792902594.db2.gz ASFWNSOFXXPRSX-LBPRGKRZSA-N 1 3 352.526 -1.416 20 0 FAADHO NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160703235 792903908 /nfs/dbraw/zinc/90/39/08/792903908.db2.gz AMBKEDUAPNNFCQ-AVGNSLFASA-N 1 3 355.439 -1.854 20 0 FAADHO NC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001160703242 792904484 /nfs/dbraw/zinc/90/44/84/792904484.db2.gz AMBKEDUAPNNFCQ-RWMBFGLXSA-N 1 3 355.439 -1.854 20 0 FAADHO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160772263 792905054 /nfs/dbraw/zinc/90/50/54/792905054.db2.gz QFDGZUQBWLFWMN-LALPHHSUSA-N 1 3 371.459 -1.626 20 0 FAADHO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160772269 792905781 /nfs/dbraw/zinc/90/57/81/792905781.db2.gz QFDGZUQBWLFWMN-TYNCELHUSA-N 1 3 371.459 -1.626 20 0 FAADHO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160774488 792906665 /nfs/dbraw/zinc/90/66/65/792906665.db2.gz UPFOQIZSZKKZCN-NEPJUHHUSA-N 1 3 359.448 -1.498 20 0 FAADHO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160774489 792906386 /nfs/dbraw/zinc/90/63/86/792906386.db2.gz UPFOQIZSZKKZCN-NWDGAFQWSA-N 1 3 359.448 -1.498 20 0 FAADHO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160774490 792906313 /nfs/dbraw/zinc/90/63/13/792906313.db2.gz UPFOQIZSZKKZCN-RYUDHWBXSA-N 1 3 359.448 -1.498 20 0 FAADHO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160774491 792906789 /nfs/dbraw/zinc/90/67/89/792906789.db2.gz UPFOQIZSZKKZCN-VXGBXAGGSA-N 1 3 359.448 -1.498 20 0 FAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)N)C[C@H]1C2 ZINC001160793768 792906621 /nfs/dbraw/zinc/90/66/21/792906621.db2.gz GNAHFBYWTFVSLS-XHBFJLKOSA-N 1 3 352.435 -1.305 20 0 FAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]1C2 ZINC001160795794 792907324 /nfs/dbraw/zinc/90/73/24/792907324.db2.gz ZKTACKJFRYJJSR-PHPCDAJSSA-N 1 3 357.476 -1.061 20 0 FAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]1C2 ZINC001160795797 792907451 /nfs/dbraw/zinc/90/74/51/792907451.db2.gz ZKTACKJFRYJJSR-PLAHREOVSA-N 1 3 357.476 -1.061 20 0 FAADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CCCNC(N)=O)C[C@H]1C[NH2+]CC2 ZINC001160811186 792907745 /nfs/dbraw/zinc/90/77/45/792907745.db2.gz MPDXTGRYUHAMHF-BFQNTYOBSA-N 1 3 355.439 -1.237 20 0 FAADHO CCOC(=O)[C@]12CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]1C[NH2+]CC2 ZINC001160811187 792907806 /nfs/dbraw/zinc/90/78/06/792907806.db2.gz MPDXTGRYUHAMHF-XHBSWPGZSA-N 1 3 355.439 -1.237 20 0 FAADHO CCOC(=O)[C@]12CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]1C[NH2+]CC2 ZINC001160811313 792907382 /nfs/dbraw/zinc/90/73/82/792907382.db2.gz NJLQGCCEUDIWOY-IIYDPXPESA-N 1 3 352.435 -1.682 20 0 FAADHO CCOC(=O)[C@]12CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]1C[NH2+]CC2 ZINC001160811314 792907362 /nfs/dbraw/zinc/90/73/62/792907362.db2.gz NJLQGCCEUDIWOY-PBFPGSCMSA-N 1 3 352.435 -1.682 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C(N)=O ZINC001161007470 792909128 /nfs/dbraw/zinc/90/91/28/792909128.db2.gz JWAVVXGFRIKPRJ-QJPTWQEYSA-N 1 3 355.439 -2.201 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C(N)=O ZINC001161007471 792908430 /nfs/dbraw/zinc/90/84/30/792908430.db2.gz JWAVVXGFRIKPRJ-TUAOUCFPSA-N 1 3 355.439 -2.201 20 0 FAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067303 792908739 /nfs/dbraw/zinc/90/87/39/792908739.db2.gz HYRXVVZOIFUBCK-NEPJUHHUSA-N 1 3 373.504 -1.020 20 0 FAADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067305 792909141 /nfs/dbraw/zinc/90/91/41/792909141.db2.gz HYRXVVZOIFUBCK-RYUDHWBXSA-N 1 3 373.504 -1.020 20 0 FAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067900 792908645 /nfs/dbraw/zinc/90/86/45/792908645.db2.gz MBXRZKQTXMHUSL-CHWSQXEVSA-N 1 3 365.459 -1.230 20 0 FAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067902 792908579 /nfs/dbraw/zinc/90/85/79/792908579.db2.gz MBXRZKQTXMHUSL-OLZOCXBDSA-N 1 3 365.459 -1.230 20 0 FAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067904 792908557 /nfs/dbraw/zinc/90/85/57/792908557.db2.gz MBXRZKQTXMHUSL-QWHCGFSZSA-N 1 3 365.459 -1.230 20 0 FAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067907 792908724 /nfs/dbraw/zinc/90/87/24/792908724.db2.gz MBXRZKQTXMHUSL-STQMWFEESA-N 1 3 365.459 -1.230 20 0 FAADHO CCOC(=O)CN(CCC[NH3+])C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001161158208 792910059 /nfs/dbraw/zinc/91/00/59/792910059.db2.gz ATYZDCZTADZPJN-WDEREUQCSA-N 1 3 359.427 -2.176 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210670 792840109 /nfs/dbraw/zinc/84/01/09/792840109.db2.gz YBAISMAMJDJOMF-FZMZJTMJSA-N 1 3 353.467 -1.068 20 0 FAADHO O=C(NC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1)N1CCOCC1 ZINC001161269435 792910818 /nfs/dbraw/zinc/91/08/18/792910818.db2.gz CYHZCXAXJJPNMG-AWEZNQCLSA-N 1 3 351.451 -1.172 20 0 FAADHO O=C(NC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1)N1CCOCC1 ZINC001161269436 792911219 /nfs/dbraw/zinc/91/12/19/792911219.db2.gz CYHZCXAXJJPNMG-CQSZACIVSA-N 1 3 351.451 -1.172 20 0 FAADHO [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C2)CC1 ZINC001161380320 792912051 /nfs/dbraw/zinc/91/20/51/792912051.db2.gz UDHMPCLUOJPJIO-KBPBESRZSA-N 1 3 356.492 -1.213 20 0 FAADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C2)CC1 ZINC001161380321 792911918 /nfs/dbraw/zinc/91/19/18/792911918.db2.gz UDHMPCLUOJPJIO-KGLIPLIRSA-N 1 3 356.492 -1.213 20 0 FAADHO [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C2)CC1 ZINC001161380322 792911894 /nfs/dbraw/zinc/91/18/94/792911894.db2.gz UDHMPCLUOJPJIO-UONOGXRCSA-N 1 3 356.492 -1.213 20 0 FAADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C2)CC1 ZINC001161380323 792912134 /nfs/dbraw/zinc/91/21/34/792912134.db2.gz UDHMPCLUOJPJIO-ZIAGYGMSSA-N 1 3 356.492 -1.213 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390102 792911762 /nfs/dbraw/zinc/91/17/62/792911762.db2.gz XBYSCQWUNVKGRK-AVGNSLFASA-N 1 3 355.439 -1.983 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390103 792912182 /nfs/dbraw/zinc/91/21/82/792912182.db2.gz XBYSCQWUNVKGRK-XQQFMLRXSA-N 1 3 355.439 -1.983 20 0 FAADHO CN(C)CCN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@H]1CCC[NH2+]C1 ZINC001161447144 792912639 /nfs/dbraw/zinc/91/26/39/792912639.db2.gz VTJOUPJDMUALHT-KBPBESRZSA-N 1 3 358.508 -1.095 20 0 FAADHO CN(C)CCN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@@H]1CCC[NH2+]C1 ZINC001161447147 792913148 /nfs/dbraw/zinc/91/31/48/792913148.db2.gz VTJOUPJDMUALHT-KGLIPLIRSA-N 1 3 358.508 -1.095 20 0 FAADHO CN(C)CCN(C(=O)[C@H]1CCS(=O)(=O)C12CNC2)[C@H]1CCC[NH2+]C1 ZINC001161447150 792913124 /nfs/dbraw/zinc/91/31/24/792913124.db2.gz VTJOUPJDMUALHT-UONOGXRCSA-N 1 3 358.508 -1.095 20 0 FAADHO CN(C)CCN(C(=O)[C@H]1CCS(=O)(=O)C12CNC2)[C@@H]1CCC[NH2+]C1 ZINC001161447153 792912767 /nfs/dbraw/zinc/91/27/67/792912767.db2.gz VTJOUPJDMUALHT-ZIAGYGMSSA-N 1 3 358.508 -1.095 20 0 FAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001161476556 792912895 /nfs/dbraw/zinc/91/28/95/792912895.db2.gz DJYZXZJHHVXJII-HUBLWGQQSA-N 1 3 371.459 -1.483 20 0 FAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001161476557 792913239 /nfs/dbraw/zinc/91/32/39/792913239.db2.gz DJYZXZJHHVXJII-JMSVASOKSA-N 1 3 371.459 -1.483 20 0 FAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001161476558 792913085 /nfs/dbraw/zinc/91/30/85/792913085.db2.gz DJYZXZJHHVXJII-XUJVJEKNSA-N 1 3 371.459 -1.483 20 0 FAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001161476559 792913067 /nfs/dbraw/zinc/91/30/67/792913067.db2.gz DJYZXZJHHVXJII-ZOWXZIJZSA-N 1 3 371.459 -1.483 20 0 FAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506538 792913857 /nfs/dbraw/zinc/91/38/57/792913857.db2.gz KQDKCVOBECGQJA-OLZOCXBDSA-N 1 3 371.507 -1.599 20 0 FAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506539 792914063 /nfs/dbraw/zinc/91/40/63/792914063.db2.gz KQDKCVOBECGQJA-STQMWFEESA-N 1 3 371.507 -1.599 20 0 FAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161508104 792914440 /nfs/dbraw/zinc/91/44/40/792914440.db2.gz WTIWKDFJFGAVOQ-KBPBESRZSA-N 1 3 353.467 -1.162 20 0 FAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161508105 792913970 /nfs/dbraw/zinc/91/39/70/792913970.db2.gz WTIWKDFJFGAVOQ-KGLIPLIRSA-N 1 3 353.467 -1.162 20 0 FAADHO COCCC[NH+]1CCC(NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001172249575 790998725 /nfs/dbraw/zinc/99/87/25/790998725.db2.gz JSUUNDUMTWXIGS-BYHHXJKWSA-N 1 3 362.467 -1.079 20 0 FAADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189801435 791984176 /nfs/dbraw/zinc/98/41/76/791984176.db2.gz GJDDSEMNAVEDMS-BFHYXJOUSA-N 1 3 352.435 -1.098 20 0 FAADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189801436 791984007 /nfs/dbraw/zinc/98/40/07/791984007.db2.gz GJDDSEMNAVEDMS-MELADBBJSA-N 1 3 352.435 -1.098 20 0 FAADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197826485 792379219 /nfs/dbraw/zinc/37/92/19/792379219.db2.gz ZECVEDRXINGXSQ-RBSFLKMASA-N 1 3 356.467 -1.358 20 0 FAADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197826486 792379554 /nfs/dbraw/zinc/37/95/54/792379554.db2.gz ZECVEDRXINGXSQ-RRFJBIMHSA-N 1 3 356.467 -1.358 20 0 FAADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001200537645 792471437 /nfs/dbraw/zinc/47/14/37/792471437.db2.gz SIKVCYJJBMENPU-FRRDWIJNSA-N 1 3 355.439 -1.271 20 0 FAADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001200537645 792471429 /nfs/dbraw/zinc/47/14/29/792471429.db2.gz SIKVCYJJBMENPU-FRRDWIJNSA-N 1 3 355.439 -1.271 20 0 FAADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001200537646 792471696 /nfs/dbraw/zinc/47/16/96/792471696.db2.gz SIKVCYJJBMENPU-JHJVBQTASA-N 1 3 355.439 -1.271 20 0 FAADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001200537646 792471689 /nfs/dbraw/zinc/47/16/89/792471689.db2.gz SIKVCYJJBMENPU-JHJVBQTASA-N 1 3 355.439 -1.271 20 0 FAADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001215421797 793108951 /nfs/dbraw/zinc/10/89/51/793108951.db2.gz MTDTXEIDROVIPP-ZIAGYGMSSA-N 1 3 353.467 -1.277 20 0 FAADHO C[C@H](NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215458864 793109893 /nfs/dbraw/zinc/10/98/93/793109893.db2.gz NLXSIRBNVRLLGN-HZSPNIEDSA-N 1 3 355.483 -1.033 20 0 FAADHO C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215458865 793110068 /nfs/dbraw/zinc/11/00/68/793110068.db2.gz NLXSIRBNVRLLGN-MGPQQGTHSA-N 1 3 355.483 -1.033 20 0 FAADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001215459038 793110296 /nfs/dbraw/zinc/11/02/96/793110296.db2.gz UZEONUBPPLCTAM-TZMCWYRMSA-N 1 3 351.451 -1.028 20 0 FAADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC(N)=O ZINC001216090973 793118981 /nfs/dbraw/zinc/11/89/81/793118981.db2.gz QVBYDUWHEQPCOR-DGCLKSJQSA-N 1 3 355.439 -1.271 20 0 FAADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001216217070 793119602 /nfs/dbraw/zinc/11/96/02/793119602.db2.gz GZUDSNRFTJJGSF-ZIAGYGMSSA-N 1 3 353.467 -1.277 20 0 FAADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001216217070 793119594 /nfs/dbraw/zinc/11/95/94/793119594.db2.gz GZUDSNRFTJJGSF-ZIAGYGMSSA-N 1 3 353.467 -1.277 20 0 FAADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400942 793122645 /nfs/dbraw/zinc/12/26/45/793122645.db2.gz FCIGOMMODUJMRC-CHWSQXEVSA-N 1 3 357.455 -1.153 20 0 FAADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001216402207 793122280 /nfs/dbraw/zinc/12/22/80/793122280.db2.gz YAWCQGVMIQIFKQ-HUUCEWRRSA-N 1 3 356.467 -1.140 20 0 FAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001218516378 793174794 /nfs/dbraw/zinc/17/47/94/793174794.db2.gz GMXOEPJVADSCNB-AAEUAGOBSA-N 1 3 350.423 -1.404 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533181 793174748 /nfs/dbraw/zinc/17/47/48/793174748.db2.gz KSJYCXUFMWAEMH-OOZYFLPDSA-N 1 3 354.436 -1.395 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533183 793174955 /nfs/dbraw/zinc/17/49/55/793174955.db2.gz KSJYCXUFMWAEMH-ZKWXMUAHSA-N 1 3 354.436 -1.395 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C(N)=O ZINC001218533459 793174901 /nfs/dbraw/zinc/17/49/01/793174901.db2.gz MHEWKWSDGBYVEZ-OYNCUSHFSA-N 1 3 368.463 -1.005 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C(N)=O ZINC001218533460 793175153 /nfs/dbraw/zinc/17/51/53/793175153.db2.gz MHEWKWSDGBYVEZ-QXFUBDJGSA-N 1 3 368.463 -1.005 20 0 FAADHO NC(=O)c1n[nH]cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218563879 793177487 /nfs/dbraw/zinc/17/74/87/793177487.db2.gz FTONAKYNDPAEDD-ONGXEEELSA-N 1 3 351.411 -1.106 20 0 FAADHO N[C@H](CCC[NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770653 793186025 /nfs/dbraw/zinc/18/60/25/793186025.db2.gz KXDWDKNBMZUHJB-LLVKDONJSA-N 1 3 351.411 -1.475 20 0 FAADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770654 793186082 /nfs/dbraw/zinc/18/60/82/793186082.db2.gz KXDWDKNBMZUHJB-NSHDSACASA-N 1 3 351.411 -1.475 20 0 FAADHO CN[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O)[C@@H](C)O ZINC001218777650 793187051 /nfs/dbraw/zinc/18/70/51/793187051.db2.gz QLVWSYTYFFYWDG-BFLSOPEQSA-N 1 3 372.857 -1.401 20 0 FAADHO CN[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O)[C@@H](C)O ZINC001218777657 793186748 /nfs/dbraw/zinc/18/67/48/793186748.db2.gz QLVWSYTYFFYWDG-KLBPJQLPSA-N 1 3 372.857 -1.401 20 0 FAADHO CN[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O)[C@@H](C)O ZINC001218777661 793187129 /nfs/dbraw/zinc/18/71/29/793187129.db2.gz QLVWSYTYFFYWDG-SVDPJWKOSA-N 1 3 372.857 -1.401 20 0 FAADHO CN[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O)[C@@H](C)O ZINC001218777664 793187217 /nfs/dbraw/zinc/18/72/17/793187217.db2.gz QLVWSYTYFFYWDG-WDCWCFNPSA-N 1 3 372.857 -1.401 20 0 FAADHO CO[C@@H](CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779265 793188003 /nfs/dbraw/zinc/18/80/03/793188003.db2.gz KUNNPKLWFOBAQC-AEJSXWLSSA-N 1 3 358.830 -1.396 20 0 FAADHO CO[C@@H](CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779267 793187775 /nfs/dbraw/zinc/18/77/75/793187775.db2.gz KUNNPKLWFOBAQC-BBBLOLIVSA-N 1 3 358.830 -1.396 20 0 FAADHO CO[C@@H](CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779269 793187840 /nfs/dbraw/zinc/18/78/40/793187840.db2.gz KUNNPKLWFOBAQC-GUBZILKMSA-N 1 3 358.830 -1.396 20 0 FAADHO CO[C@@H](CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779272 793187917 /nfs/dbraw/zinc/18/79/17/793187917.db2.gz KUNNPKLWFOBAQC-UTLUCORTSA-N 1 3 358.830 -1.396 20 0 FAADHO CN[C@@H](CO)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218780041 793188207 /nfs/dbraw/zinc/18/82/07/793188207.db2.gz YQXMTMALCHZDLG-GUBZILKMSA-N 1 3 358.830 -1.790 20 0 FAADHO CN[C@@H](CO)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218780042 793188198 /nfs/dbraw/zinc/18/81/98/793188198.db2.gz YQXMTMALCHZDLG-KXUCPTDWSA-N 1 3 358.830 -1.790 20 0 FAADHO CN[C@@H](CO)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218780043 793188177 /nfs/dbraw/zinc/18/81/77/793188177.db2.gz YQXMTMALCHZDLG-LPEHRKFASA-N 1 3 358.830 -1.790 20 0 FAADHO CN[C@@H](CO)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218780045 793187993 /nfs/dbraw/zinc/18/79/93/793187993.db2.gz YQXMTMALCHZDLG-UTLUCORTSA-N 1 3 358.830 -1.790 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C(N)=O ZINC001219614078 793302772 /nfs/dbraw/zinc/30/27/72/793302772.db2.gz RIIYYGGZOKPQRL-JOAULVNJSA-N 1 3 353.345 -1.506 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C(N)=O ZINC001219614079 793302120 /nfs/dbraw/zinc/30/21/20/793302120.db2.gz RIIYYGGZOKPQRL-SXMVTHIZSA-N 1 3 353.345 -1.506 20 0 FAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678544 793581979 /nfs/dbraw/zinc/58/19/79/793581979.db2.gz SFOVKYFONQWZCX-CYBMUJFWSA-N 1 3 362.500 -2.912 20 0 FAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678545 793582196 /nfs/dbraw/zinc/58/21/96/793582196.db2.gz SFOVKYFONQWZCX-ZDUSSCGKSA-N 1 3 362.500 -2.912 20 0 FAADHO NC[C@H]([NH3+])c1ccc(C(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001219680587 793583118 /nfs/dbraw/zinc/58/31/18/793583118.db2.gz OEXCWNAZEVYOQE-AWEZNQCLSA-N 1 3 355.464 -1.390 20 0 FAADHO NC[C@@H]([NH3+])c1ccc(C(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001219680588 793583101 /nfs/dbraw/zinc/58/31/01/793583101.db2.gz OEXCWNAZEVYOQE-CQSZACIVSA-N 1 3 355.464 -1.390 20 0 FAADHO CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219694451 793584919 /nfs/dbraw/zinc/58/49/19/793584919.db2.gz IZDJEGMFNLLHIE-ILXRZTDVSA-N 1 3 355.483 -1.120 20 0 FAADHO CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001219694458 793585033 /nfs/dbraw/zinc/58/50/33/793585033.db2.gz IZDJEGMFNLLHIE-KKUMJFAQSA-N 1 3 355.483 -1.120 20 0 FAADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714610 793585720 /nfs/dbraw/zinc/58/57/20/793585720.db2.gz QKRLWQZEYQVYLH-NNYUYHANSA-N 1 3 364.537 -1.246 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743245 793599614 /nfs/dbraw/zinc/59/96/14/793599614.db2.gz AIRBSCJOXVXEBG-SRVKXCTJSA-N 1 3 355.439 -1.889 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743246 793599413 /nfs/dbraw/zinc/59/94/13/793599413.db2.gz AIRBSCJOXVXEBG-TUAOUCFPSA-N 1 3 355.439 -1.889 20 0 FAADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765894 793604670 /nfs/dbraw/zinc/60/46/70/793604670.db2.gz GSWALHRDRXQCKD-RDBSUJKOSA-N 1 3 355.483 -1.345 20 0 FAADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765894 793604664 /nfs/dbraw/zinc/60/46/64/793604664.db2.gz GSWALHRDRXQCKD-RDBSUJKOSA-N 1 3 355.483 -1.345 20 0 FAADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765894 793604661 /nfs/dbraw/zinc/60/46/61/793604661.db2.gz GSWALHRDRXQCKD-RDBSUJKOSA-N 1 3 355.483 -1.345 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2)C(N)=O ZINC001219803463 793610423 /nfs/dbraw/zinc/61/04/23/793610423.db2.gz VBBAFBXVGCXJBX-QJPTWQEYSA-N 1 3 355.439 -2.031 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCC[C@H]1CCOC12C[NH2+]C2)C(N)=O ZINC001219803464 793609726 /nfs/dbraw/zinc/60/97/26/793609726.db2.gz VBBAFBXVGCXJBX-SDDRHHMPSA-N 1 3 355.439 -2.031 20 0 FAADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219834236 793615621 /nfs/dbraw/zinc/61/56/21/793615621.db2.gz OROMWZDYEPUAPK-IPYPFGDCSA-N 1 3 373.475 -1.726 20 0 FAADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219834239 793615497 /nfs/dbraw/zinc/61/54/97/793615497.db2.gz OROMWZDYEPUAPK-NFAWXSAZSA-N 1 3 373.475 -1.726 20 0 FAADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219834241 793615516 /nfs/dbraw/zinc/61/55/16/793615516.db2.gz OROMWZDYEPUAPK-UMVBOHGHSA-N 1 3 373.475 -1.726 20 0 FAADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219834244 793615343 /nfs/dbraw/zinc/61/53/43/793615343.db2.gz OROMWZDYEPUAPK-VNHYZAJKSA-N 1 3 373.475 -1.726 20 0 FAADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1=O ZINC001219838218 793616069 /nfs/dbraw/zinc/61/60/69/793616069.db2.gz OWUWRICNYRMKPL-GRDNDAEWSA-N 1 3 354.451 -1.163 20 0 FAADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1=O ZINC001219838219 793615921 /nfs/dbraw/zinc/61/59/21/793615921.db2.gz OWUWRICNYRMKPL-JKIFEVAISA-N 1 3 354.451 -1.163 20 0 FAADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1=O ZINC001219838220 793616056 /nfs/dbraw/zinc/61/60/56/793616056.db2.gz OWUWRICNYRMKPL-KEYYUXOJSA-N 1 3 354.451 -1.163 20 0 FAADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1=O ZINC001219838221 793616217 /nfs/dbraw/zinc/61/62/17/793616217.db2.gz OWUWRICNYRMKPL-ZQIUZPCESA-N 1 3 354.451 -1.163 20 0 FAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838424 793615887 /nfs/dbraw/zinc/61/58/87/793615887.db2.gz QBFSJNFXGNOJIM-AYMQEEERSA-N 1 3 354.451 -1.164 20 0 FAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838425 793615900 /nfs/dbraw/zinc/61/59/00/793615900.db2.gz QBFSJNFXGNOJIM-LOUJCGABSA-N 1 3 354.451 -1.164 20 0 FAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838426 793616321 /nfs/dbraw/zinc/61/63/21/793616321.db2.gz QBFSJNFXGNOJIM-QDEZUTFSSA-N 1 3 354.451 -1.164 20 0 FAADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838427 793616145 /nfs/dbraw/zinc/61/61/45/793616145.db2.gz QBFSJNFXGNOJIM-WSMBLCCSSA-N 1 3 354.451 -1.164 20 0 FAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838708 793616960 /nfs/dbraw/zinc/61/69/60/793616960.db2.gz TZTMATHDJRRRLF-GZIXRCOHSA-N 1 3 356.467 -1.013 20 0 FAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838709 793616845 /nfs/dbraw/zinc/61/68/45/793616845.db2.gz TZTMATHDJRRRLF-HPZZRFSDSA-N 1 3 356.467 -1.013 20 0 FAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838710 793617028 /nfs/dbraw/zinc/61/70/28/793617028.db2.gz TZTMATHDJRRRLF-UICACZKSSA-N 1 3 356.467 -1.013 20 0 FAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838711 793617110 /nfs/dbraw/zinc/61/71/10/793617110.db2.gz TZTMATHDJRRRLF-YXPYIKCWSA-N 1 3 356.467 -1.013 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C(N)=O ZINC001219852577 793620961 /nfs/dbraw/zinc/62/09/61/793620961.db2.gz VBGTVDJOEYOKHS-JZRPKSSGSA-N 1 3 355.439 -2.175 20 0 FAADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC[NH3+])C(=O)CF ZINC001219870705 793624534 /nfs/dbraw/zinc/62/45/34/793624534.db2.gz QOLNOGJEIKTTAQ-KWBADKCTSA-N 1 3 361.418 -2.037 20 0 FAADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)O ZINC001219880799 793625673 /nfs/dbraw/zinc/62/56/73/793625673.db2.gz KEXRISQBRHUVGF-VOAKCMCISA-N 1 3 358.439 -1.528 20 0 FAADHO CS(=O)(=O)N(C(=O)[C@H]1COC2(CNC2)CN1)c1ccc(C[NH3+])cc1 ZINC001219939253 793640574 /nfs/dbraw/zinc/64/05/74/793640574.db2.gz YCEQWLULPUFQJM-CYBMUJFWSA-N 1 3 354.432 -1.232 20 0 FAADHO CS(=O)(=O)N(C(=O)[C@@H]1COC2(CNC2)CN1)c1ccc(C[NH3+])cc1 ZINC001219939254 793640536 /nfs/dbraw/zinc/64/05/36/793640536.db2.gz YCEQWLULPUFQJM-ZDUSSCGKSA-N 1 3 354.432 -1.232 20 0 FAADHO CNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219961416 793645660 /nfs/dbraw/zinc/64/56/60/793645660.db2.gz JVBNDYFMOKDGKW-RYUDHWBXSA-N 1 3 363.484 -1.901 20 0 FAADHO CCn1c(N)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(=O)n(CC)c1=O ZINC001219972741 793647991 /nfs/dbraw/zinc/64/79/91/793647991.db2.gz VJJBENUSLAKDIU-QLJPJBMISA-N 1 3 350.423 -1.230 20 0 FAADHO COC(=O)C1(NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CC[NH2+]CC1 ZINC001220001587 793650509 /nfs/dbraw/zinc/65/05/09/793650509.db2.gz STBCRJLVZYRKOM-QWRGUYRKSA-N 1 3 356.423 -1.292 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025444 793654071 /nfs/dbraw/zinc/65/40/71/793654071.db2.gz QCYFVBPILZTEPL-FXQIFTODSA-N 1 3 354.436 -1.807 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028394 793653606 /nfs/dbraw/zinc/65/36/06/793653606.db2.gz RGIDUSQGAKJALJ-SRVKXCTJSA-N 1 3 353.423 -1.645 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028395 793653841 /nfs/dbraw/zinc/65/38/41/793653841.db2.gz RGIDUSQGAKJALJ-TUAOUCFPSA-N 1 3 353.423 -1.645 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC(CO)(CO)C1 ZINC001220152153 793675631 /nfs/dbraw/zinc/67/56/31/793675631.db2.gz WPQCHURIXQICMS-KBPBESRZSA-N 1 3 356.467 -1.317 20 0 FAADHO COCCC[NH+]1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001220200425 793677870 /nfs/dbraw/zinc/67/78/70/793677870.db2.gz KDSSFOAAHCALBN-AAEUAGOBSA-N 1 3 357.455 -1.689 20 0 FAADHO O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220310427 793694033 /nfs/dbraw/zinc/69/40/33/793694033.db2.gz AIMOORGJSIPRAZ-LLVKDONJSA-N 1 3 353.448 -1.231 20 0 FAADHO O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220310428 793693683 /nfs/dbraw/zinc/69/36/83/793693683.db2.gz AIMOORGJSIPRAZ-NSHDSACASA-N 1 3 353.448 -1.231 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313959 793693958 /nfs/dbraw/zinc/69/39/58/793693958.db2.gz ZRUZMOWKEHPVJP-UWVGGRQHSA-N 1 3 351.411 -2.300 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C(N)=O ZINC001220319729 793694675 /nfs/dbraw/zinc/69/46/75/793694675.db2.gz IWUUCRBTTQBQTP-LGSVPQMISA-N 1 3 355.439 -1.889 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C(N)=O ZINC001220319730 793694876 /nfs/dbraw/zinc/69/48/76/793694876.db2.gz IWUUCRBTTQBQTP-OVZMXSCWSA-N 1 3 355.439 -1.889 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(N)=O ZINC001220319731 793694608 /nfs/dbraw/zinc/69/46/08/793694608.db2.gz IWUUCRBTTQBQTP-PVTKRXDGSA-N 1 3 355.439 -1.889 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(N)=O ZINC001220319732 793694599 /nfs/dbraw/zinc/69/45/99/793694599.db2.gz IWUUCRBTTQBQTP-XSUJLISDSA-N 1 3 355.439 -1.889 20 0 FAADHO CCOC(=O)C1(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CCN(C)CC1 ZINC001220345739 793697683 /nfs/dbraw/zinc/69/76/83/793697683.db2.gz NQSNMIGFNQMHEO-AWEZNQCLSA-N 1 3 355.483 -1.120 20 0 FAADHO CCOC(=O)C1(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)CCN(C)CC1 ZINC001220345740 793697632 /nfs/dbraw/zinc/69/76/32/793697632.db2.gz NQSNMIGFNQMHEO-CQSZACIVSA-N 1 3 355.483 -1.120 20 0 FAADHO CN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220381666 793703166 /nfs/dbraw/zinc/70/31/66/793703166.db2.gz MDYNLGMWPQREGC-ILXRZTDVSA-N 1 3 355.483 -1.120 20 0 FAADHO CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220381668 793702399 /nfs/dbraw/zinc/70/23/99/793702399.db2.gz MDYNLGMWPQREGC-KKUMJFAQSA-N 1 3 355.483 -1.120 20 0 FAADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)O1 ZINC001220481533 793717806 /nfs/dbraw/zinc/71/78/06/793717806.db2.gz JVUHXIWZXHVESB-NDXHXBTESA-N 1 3 359.427 -2.465 20 0 FAADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)O1 ZINC001220481534 793717886 /nfs/dbraw/zinc/71/78/86/793717886.db2.gz JVUHXIWZXHVESB-QABNJGPSSA-N 1 3 359.427 -2.465 20 0 FAADHO COCCOCCOCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220512376 793724771 /nfs/dbraw/zinc/72/47/71/793724771.db2.gz NRVQVBLQUAFTKN-NVXWUHKLSA-N 1 3 359.467 -1.002 20 0 FAADHO COCCOCCOCCOCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220514618 793725095 /nfs/dbraw/zinc/72/50/95/793725095.db2.gz RXGSASKQEUAYHJ-ZDUSSCGKSA-N 1 3 353.485 -1.182 20 0 FAADHO CCOC(=O)C1=C(NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC[NH2+]C1 ZINC001220521781 793725958 /nfs/dbraw/zinc/72/59/58/793725958.db2.gz ONUAGNIJQWNGDD-LLVKDONJSA-N 1 3 357.432 -1.310 20 0 FAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC[NH2+]C1 ZINC001220521782 793726141 /nfs/dbraw/zinc/72/61/41/793726141.db2.gz ONUAGNIJQWNGDD-NSHDSACASA-N 1 3 357.432 -1.310 20 0 FAADHO CCOC(=O)C1=C(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[NH2+]C1 ZINC001220524060 793727160 /nfs/dbraw/zinc/72/71/60/793727160.db2.gz YEJCJEHIZIQIDQ-KWQFWETISA-N 1 3 355.395 -2.380 20 0 FAADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)CN)c2nonc21 ZINC001220749656 793769989 /nfs/dbraw/zinc/76/99/89/793769989.db2.gz XGVPBRGKYPRLNP-QMMMGPOBSA-N 1 3 371.423 -1.949 20 0 FAADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220768705 793775792 /nfs/dbraw/zinc/77/57/92/793775792.db2.gz ZECVEDRXINGXSQ-KFWWJZLASA-N 1 3 356.467 -1.358 20 0 FAADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220768706 793776300 /nfs/dbraw/zinc/77/63/00/793776300.db2.gz ZECVEDRXINGXSQ-ZNMIVQPWSA-N 1 3 356.467 -1.358 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803127 793780104 /nfs/dbraw/zinc/78/01/04/793780104.db2.gz CBJAXQDWKIPIJK-JBDRJPRFSA-N 1 3 353.345 -1.650 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803128 793779865 /nfs/dbraw/zinc/77/98/65/793779865.db2.gz CBJAXQDWKIPIJK-KDXUFGMBSA-N 1 3 353.345 -1.650 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803129 793779784 /nfs/dbraw/zinc/77/97/84/793779784.db2.gz CBJAXQDWKIPIJK-KZVJFYERSA-N 1 3 353.345 -1.650 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803130 793780134 /nfs/dbraw/zinc/78/01/34/793780134.db2.gz CBJAXQDWKIPIJK-MAUMQABQSA-N 1 3 353.345 -1.650 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C(N)=O ZINC001220804554 793779846 /nfs/dbraw/zinc/77/98/46/793779846.db2.gz OOUGBWMYRWTTMV-AATLWQCWSA-N 1 3 367.372 -1.260 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)C(N)=O ZINC001220804562 793779957 /nfs/dbraw/zinc/77/99/57/793779957.db2.gz OOUGBWMYRWTTMV-AXTSPUMRSA-N 1 3 367.372 -1.260 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)C(N)=O ZINC001220804564 793780203 /nfs/dbraw/zinc/78/02/03/793780203.db2.gz OOUGBWMYRWTTMV-QCLAVDOMSA-N 1 3 367.372 -1.260 20 0 FAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)C(N)=O ZINC001220804566 793779798 /nfs/dbraw/zinc/77/97/98/793779798.db2.gz OOUGBWMYRWTTMV-SGIHWFKDSA-N 1 3 367.372 -1.260 20 0 FAADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CNC1 ZINC001220827624 793782290 /nfs/dbraw/zinc/78/22/90/793782290.db2.gz VZELZPNTHQHTCP-GFCCVEGCSA-N 1 3 371.459 -1.063 20 0 FAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CNC1 ZINC001220827625 793782052 /nfs/dbraw/zinc/78/20/52/793782052.db2.gz VZELZPNTHQHTCP-LBPRGKRZSA-N 1 3 371.459 -1.063 20 0 FAADHO CCOC(=O)C1=C(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[NH2+]C1 ZINC001220829915 793781840 /nfs/dbraw/zinc/78/18/40/793781840.db2.gz FUDREGBHUKLJGC-WCBMZHEXSA-N 1 3 355.395 -2.380 20 0 FAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)C[NH2+]C1 ZINC001220830078 793781906 /nfs/dbraw/zinc/78/19/06/793781906.db2.gz MQIMYQGLPDIEMH-CABZTGNLSA-N 1 3 354.407 -1.166 20 0 FAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)COC1(C)C ZINC001220903335 793793194 /nfs/dbraw/zinc/79/31/94/793793194.db2.gz QFEQURJILWYYDN-UWVGGRQHSA-N 1 3 361.403 -2.038 20 0 FAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220931196 793797223 /nfs/dbraw/zinc/79/72/23/793797223.db2.gz YSNYDYPOTVJCQM-ZPFDUUQYSA-N 1 3 355.439 -1.809 20 0 FAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936701 793800832 /nfs/dbraw/zinc/80/08/32/793800832.db2.gz IIWVIRBVAPTYCS-OLZOCXBDSA-N 1 3 350.423 -1.191 20 0 FAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936703 793800880 /nfs/dbraw/zinc/80/08/80/793800880.db2.gz IIWVIRBVAPTYCS-STQMWFEESA-N 1 3 350.423 -1.191 20 0 FAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](N)CCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967296 793807038 /nfs/dbraw/zinc/80/70/38/793807038.db2.gz ZPJDUZYHMCUAQN-NNYUYHANSA-N 1 3 355.395 -1.912 20 0 FAADHO Cc1cn([C@H]2C[C@H](NC(=O)[C@H](N)CCC[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967297 793807182 /nfs/dbraw/zinc/80/71/82/793807182.db2.gz ZPJDUZYHMCUAQN-WRWGMCAJSA-N 1 3 355.395 -1.912 20 0 FAADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC001221006238 793821419 /nfs/dbraw/zinc/82/14/19/793821419.db2.gz CRUNQQBLQATNJS-CYDGBPFRSA-N 1 3 357.455 -2.084 20 0 FAADHO CCC(CC)[C@@H](NC(=O)[C@H](CO)NC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070496 793828579 /nfs/dbraw/zinc/82/85/79/793828579.db2.gz UMWSVRIRIRJLKM-XWSJDDSLSA-N 1 3 359.467 -1.015 20 0 FAADHO [NH3+]CCCNCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148677 793841216 /nfs/dbraw/zinc/84/12/16/793841216.db2.gz KYSKSPJKPVBSFT-UHFFFAOYSA-N 1 3 355.464 -1.129 20 0 FAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CN(C2COC2)C1 ZINC001221245914 793854467 /nfs/dbraw/zinc/85/44/67/793854467.db2.gz IJIFZPRUKABGSU-GJZGRUSLSA-N 1 3 353.467 -1.367 20 0 FAADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391339 793857747 /nfs/dbraw/zinc/85/77/47/793857747.db2.gz LOECIYPHWQMCCK-UHFFFAOYSA-N 1 3 357.480 -1.225 20 0 FAADHO CN1CCC(CO)(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001221403155 793858432 /nfs/dbraw/zinc/85/84/32/793858432.db2.gz RAFOEMPAYNSHSQ-CYBMUJFWSA-N 1 3 359.492 -1.026 20 0 FAADHO CN1CCC(CO)(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001221403158 793858477 /nfs/dbraw/zinc/85/84/77/793858477.db2.gz RAFOEMPAYNSHSQ-ZDUSSCGKSA-N 1 3 359.492 -1.026 20 0 FAADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1 ZINC001221404532 793857815 /nfs/dbraw/zinc/85/78/15/793857815.db2.gz NCGHUMXCYQNOHD-TVYUQYBPSA-N 1 3 351.407 -1.481 20 0 FAADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1 ZINC001221404533 793858521 /nfs/dbraw/zinc/85/85/21/793858521.db2.gz NCGHUMXCYQNOHD-XDTLVQLUSA-N 1 3 351.407 -1.481 20 0 FAADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001228365394 793921263 /nfs/dbraw/zinc/92/12/63/793921263.db2.gz FOGVJRKTMWFGCI-ZIAGYGMSSA-N 1 3 353.467 -1.087 20 0 FAADHO CN1CCN(C[C@H]2Cn3ccnc3CN(S(=O)(=O)CC[NH3+])C2)CC1 ZINC001239081253 793960900 /nfs/dbraw/zinc/96/09/00/793960900.db2.gz JHBWTBQOLLSHNM-AWEZNQCLSA-N 1 3 356.496 -1.149 20 0 FAADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(S(=O)(=O)CC[NH3+])C2)CC1 ZINC001239081255 793961934 /nfs/dbraw/zinc/96/19/34/793961934.db2.gz JHBWTBQOLLSHNM-CQSZACIVSA-N 1 3 356.496 -1.149 20 0 FAADHO O=c1cc(CNC[C@@H](O)CC2(O)CC[NH2+]CC2)nc2n1CCCNC2 ZINC001245981430 793965217 /nfs/dbraw/zinc/96/52/17/793965217.db2.gz GXEULPVQOJDWMP-AWEZNQCLSA-N 1 3 351.451 -1.308 20 0 FAADHO O=c1cc(CNC[C@H](O)CC2(O)CC[NH2+]CC2)nc2n1CCCNC2 ZINC001245981433 793965036 /nfs/dbraw/zinc/96/50/36/793965036.db2.gz GXEULPVQOJDWMP-CQSZACIVSA-N 1 3 351.451 -1.308 20 0 FAADHO O=S(=O)(CCNC[C@H](O)CC1(O)CC[NH2+]CC1)N1CCNCC1 ZINC001245989459 793965504 /nfs/dbraw/zinc/96/55/04/793965504.db2.gz GTCWNQLYDRAUIN-CYBMUJFWSA-N 1 3 350.485 -2.324 20 0 FAADHO O=S(=O)(CCNC[C@@H](O)CC1(O)CC[NH2+]CC1)N1CCNCC1 ZINC001245989477 793965422 /nfs/dbraw/zinc/96/54/22/793965422.db2.gz GTCWNQLYDRAUIN-ZDUSSCGKSA-N 1 3 350.485 -2.324 20 0 FAADHO COC(=O)C1C[C@@H]2CC([NH2+]CCS(=O)(=O)N3CCNCC3)C[C@H](C1)N2 ZINC001246098818 793966949 /nfs/dbraw/zinc/96/69/49/793966949.db2.gz FGHBUZHTQUYYAP-ZMYVRHLSSA-N 1 3 374.507 -1.117 20 0 FAADHO COC(=O)C1C[C@@H]2CC(NCCS(=O)(=O)N3CCNCC3)C[C@H](C1)[NH2+]2 ZINC001246098818 793966943 /nfs/dbraw/zinc/96/69/43/793966943.db2.gz FGHBUZHTQUYYAP-ZMYVRHLSSA-N 1 3 374.507 -1.117 20 0 FAADHO COC(=O)[C@@H]1C[C@@H](NCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246218057 793967004 /nfs/dbraw/zinc/96/70/04/793967004.db2.gz ZJQGBQHMMBRBRN-CABCVRRESA-N 1 3 363.455 -1.495 20 0 FAADHO COC(=O)[C@@H]1C[C@H](NCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246218058 793966920 /nfs/dbraw/zinc/96/69/20/793966920.db2.gz ZJQGBQHMMBRBRN-GJZGRUSLSA-N 1 3 363.455 -1.495 20 0 FAADHO COC(=O)[C@H]1C[C@@H](NCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246218059 793967033 /nfs/dbraw/zinc/96/70/33/793967033.db2.gz ZJQGBQHMMBRBRN-HUUCEWRRSA-N 1 3 363.455 -1.495 20 0 FAADHO COC(=O)[C@H]1C[C@H](NCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246218060 793967358 /nfs/dbraw/zinc/96/73/58/793967358.db2.gz ZJQGBQHMMBRBRN-LSDHHAIUSA-N 1 3 363.455 -1.495 20 0 FAADHO O=C([C@@H]1C[C@H](N2CCOC[C@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246608674 793968676 /nfs/dbraw/zinc/96/86/76/793968676.db2.gz YCUMDKRHTZDVLQ-DZKIICNBSA-N 1 3 356.492 -1.059 20 0 FAADHO O=C([C@@H]1C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246608683 793968775 /nfs/dbraw/zinc/96/87/75/793968775.db2.gz YCUMDKRHTZDVLQ-IJEWVQPXSA-N 1 3 356.492 -1.059 20 0 FAADHO O=C([C@@H]1C[C@H](N2CCOC[C@@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246608686 793968785 /nfs/dbraw/zinc/96/87/85/793968785.db2.gz YCUMDKRHTZDVLQ-OFQRWUPVSA-N 1 3 356.492 -1.059 20 0 FAADHO O=C([C@@H]1C[C@@H](N2CCOC[C@]3(CNCCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246608688 793969018 /nfs/dbraw/zinc/96/90/18/793969018.db2.gz YCUMDKRHTZDVLQ-YCPHGPKFSA-N 1 3 356.492 -1.059 20 0 FAADHO COC(=O)[C@@H](O)CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252417805 793983496 /nfs/dbraw/zinc/98/34/96/793983496.db2.gz NGFFLWQJDVFNKY-AWEZNQCLSA-N 1 3 356.467 -1.310 20 0 FAADHO COC(=O)[C@H](O)CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252417806 793983907 /nfs/dbraw/zinc/98/39/07/793983907.db2.gz NGFFLWQJDVFNKY-CQSZACIVSA-N 1 3 356.467 -1.310 20 0 FAADHO [NH3+]CCOCCOCCOCCOCCN[C@H]1CCS(=O)(=O)C1 ZINC001254322973 793996965 /nfs/dbraw/zinc/99/69/65/793996965.db2.gz YFAJMNXWTUQYQE-AWEZNQCLSA-N 1 3 354.469 -1.212 20 0 FAADHO [NH3+]CCOCCOCCOCCOCCN[C@@H]1CCS(=O)(=O)C1 ZINC001254322974 793996609 /nfs/dbraw/zinc/99/66/09/793996609.db2.gz YFAJMNXWTUQYQE-CQSZACIVSA-N 1 3 354.469 -1.212 20 0 FAADHO CN1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1(C)C ZINC001261820204 794061573 /nfs/dbraw/zinc/06/15/73/794061573.db2.gz SYRBQCVDSDMLQJ-UHFFFAOYSA-N 1 3 355.483 -1.247 20 0 FAADHO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC001261820595 794061511 /nfs/dbraw/zinc/06/15/11/794061511.db2.gz DYWRFQMDAPTIDP-HNNXBMFYSA-N 1 3 355.483 -1.375 20 0 FAADHO CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC001261820596 794061695 /nfs/dbraw/zinc/06/16/95/794061695.db2.gz DYWRFQMDAPTIDP-OAHLLOKOSA-N 1 3 355.483 -1.375 20 0 FAADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001262544251 794075886 /nfs/dbraw/zinc/07/58/86/794075886.db2.gz XEROPOWTOJWKQF-UHFFFAOYSA-N 1 3 355.483 -1.375 20 0 FAADHO CN(C)C[C@@H]1CN(C(=O)C[C@H]2CNCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC001263171329 794077502 /nfs/dbraw/zinc/07/75/02/794077502.db2.gz OEIAVZSEBDPETF-KFWWJZLASA-N 1 3 360.524 -1.039 20 0 FAADHO CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CNCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC001263171330 794077423 /nfs/dbraw/zinc/07/74/23/794077423.db2.gz OEIAVZSEBDPETF-RBSFLKMASA-N 1 3 360.524 -1.039 20 0 FAADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001264533780 794086318 /nfs/dbraw/zinc/08/63/18/794086318.db2.gz USZAGUIQCVJXQW-FRRDWIJNSA-N 1 3 357.455 -1.025 20 0 FAADHO CCCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268308002 789674887 /nfs/dbraw/zinc/67/48/87/789674887.db2.gz LOMGEKSIEDRGMZ-FRRDWIJNSA-N 1 3 357.455 -1.371 20 0 FAADHO CCCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268308002 789674884 /nfs/dbraw/zinc/67/48/84/789674884.db2.gz LOMGEKSIEDRGMZ-FRRDWIJNSA-N 1 3 357.455 -1.371 20 0 FAADHO CCCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268308007 789674392 /nfs/dbraw/zinc/67/43/92/789674392.db2.gz LOMGEKSIEDRGMZ-JHJVBQTASA-N 1 3 357.455 -1.371 20 0 FAADHO CCCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268308007 789674386 /nfs/dbraw/zinc/67/43/86/789674386.db2.gz LOMGEKSIEDRGMZ-JHJVBQTASA-N 1 3 357.455 -1.371 20 0 FAADHO CCNC(=O)NC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272168175 790396761 /nfs/dbraw/zinc/39/67/61/790396761.db2.gz GHRLGHFRYYBJBJ-CHWSQXEVSA-N 1 3 357.455 -1.417 20 0 FAADHO CCNC(=O)NC(=O)CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272168175 790396752 /nfs/dbraw/zinc/39/67/52/790396752.db2.gz GHRLGHFRYYBJBJ-CHWSQXEVSA-N 1 3 357.455 -1.417 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001272169216 790396231 /nfs/dbraw/zinc/39/62/31/790396231.db2.gz QNQBLBSHTRLOTO-QWHCGFSZSA-N 1 3 357.455 -1.417 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001272169216 790396218 /nfs/dbraw/zinc/39/62/18/790396218.db2.gz QNQBLBSHTRLOTO-QWHCGFSZSA-N 1 3 357.455 -1.417 20 0 FAADHO CN1CCC(O)(C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001272836156 790516298 /nfs/dbraw/zinc/51/62/98/790516298.db2.gz JIIPUGLQMZRXJT-UHFFFAOYSA-N 1 3 354.451 -1.556 20 0 FAADHO CN1CCC(O)(C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)CC1 ZINC001272836941 790516564 /nfs/dbraw/zinc/51/65/64/790516564.db2.gz QCKMFWGNNIQZJO-UHFFFAOYSA-N 1 3 354.451 -1.556 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001273261535 790640879 /nfs/dbraw/zinc/64/08/79/790640879.db2.gz VIVMOUYHBIXJPB-FRRDWIJNSA-N 1 3 355.439 -1.271 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001273261535 790640874 /nfs/dbraw/zinc/64/08/74/790640874.db2.gz VIVMOUYHBIXJPB-FRRDWIJNSA-N 1 3 355.439 -1.271 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001273261536 790640798 /nfs/dbraw/zinc/64/07/98/790640798.db2.gz VIVMOUYHBIXJPB-RWMBFGLXSA-N 1 3 355.439 -1.271 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001273261536 790640796 /nfs/dbraw/zinc/64/07/96/790640796.db2.gz VIVMOUYHBIXJPB-RWMBFGLXSA-N 1 3 355.439 -1.271 20 0 FAADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720317 793941180 /nfs/dbraw/zinc/94/11/80/793941180.db2.gz WOPPBSSBVXVKGY-FUHWJXTLSA-N 1 3 354.495 -1.099 20 0 FAADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720317 793941175 /nfs/dbraw/zinc/94/11/75/793941175.db2.gz WOPPBSSBVXVKGY-FUHWJXTLSA-N 1 3 354.495 -1.099 20 0 FAADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720318 793941245 /nfs/dbraw/zinc/94/12/45/793941245.db2.gz WOPPBSSBVXVKGY-WMZOPIPTSA-N 1 3 354.495 -1.099 20 0 FAADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)CC1 ZINC001277720318 793941237 /nfs/dbraw/zinc/94/12/37/793941237.db2.gz WOPPBSSBVXVKGY-WMZOPIPTSA-N 1 3 354.495 -1.099 20 0 FAADHO CCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278754963 793993427 /nfs/dbraw/zinc/99/34/27/793993427.db2.gz CMYOMYBEMUBPTC-FRRDWIJNSA-N 1 3 357.455 -1.419 20 0 FAADHO CCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278754963 793993418 /nfs/dbraw/zinc/99/34/18/793993418.db2.gz CMYOMYBEMUBPTC-FRRDWIJNSA-N 1 3 357.455 -1.419 20 0 FAADHO CCNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278754971 793993124 /nfs/dbraw/zinc/99/31/24/793993124.db2.gz CMYOMYBEMUBPTC-JHJVBQTASA-N 1 3 357.455 -1.419 20 0 FAADHO CCNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278754971 793993119 /nfs/dbraw/zinc/99/31/19/793993119.db2.gz CMYOMYBEMUBPTC-JHJVBQTASA-N 1 3 357.455 -1.419 20 0 FAADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001278761876 793993983 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