smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CN1Cc2ccc(C[NH+](C)C)cc2[C@@H]1C[NH3+])CN1CCOCC1 ZINC000071683883 203103875 /nfs/dbraw/zinc/10/38/75/203103875.db2.gz CBBYDZFRARZSQJ-UZLBHIALSA-N 2 1 346.519 1.532 10 0 EDAEMP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)[nH+]c1 ZINC000237906939 139063419 /nfs/dbraw/zinc/06/34/19/139063419.db2.gz QIEHEGMCTYGSAH-INIZCTEOSA-N 2 1 328.460 1.865 10 0 EDAEMP NNc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c[nH+]1 ZINC000159252002 206233564 /nfs/dbraw/zinc/23/35/64/206233564.db2.gz JJHAHWQSWUIJSQ-RKDXNWHRSA-N 2 1 327.230 1.563 10 0 EDAEMP C[C@@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)C1C[NH2+]C1 ZINC000262022704 139244452 /nfs/dbraw/zinc/24/44/52/139244452.db2.gz APXPUSVEQDDWGP-UKRRQHHQSA-N 2 1 344.459 1.178 10 0 EDAEMP CC(C)[NH+](CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000175615481 442093876 /nfs/dbraw/zinc/09/38/76/442093876.db2.gz MCCWREGJMVYUDA-DLBZAZTESA-N 2 1 340.512 1.467 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C(N)=O)cs2)CC1 ZINC000121149636 442183423 /nfs/dbraw/zinc/18/34/23/442183423.db2.gz URYNUGVUEFINPV-GFCCVEGCSA-N 2 1 325.478 1.372 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000248495618 442897467 /nfs/dbraw/zinc/89/74/67/442897467.db2.gz QKMMBFWGBWBLIF-SJORKVTESA-N 2 1 340.512 1.349 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000248495618 442897470 /nfs/dbraw/zinc/89/74/70/442897470.db2.gz QKMMBFWGBWBLIF-SJORKVTESA-N 2 1 340.512 1.349 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)[nH+]1 ZINC000195519395 443027688 /nfs/dbraw/zinc/02/76/88/443027688.db2.gz VEYIAIOQKWPJPW-BZSNNMDCSA-N 2 1 349.475 1.680 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)[nH+]1 ZINC000195519395 443027693 /nfs/dbraw/zinc/02/76/93/443027693.db2.gz VEYIAIOQKWPJPW-BZSNNMDCSA-N 2 1 349.475 1.680 10 0 EDAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390905114 447507439 /nfs/dbraw/zinc/50/74/39/447507439.db2.gz XUHFKWFKPZQJTK-QXAKKESOSA-N 2 1 345.487 1.782 10 0 EDAEMP COC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000638851599 451710278 /nfs/dbraw/zinc/71/02/78/451710278.db2.gz KNEKPMAWQSWXKX-QRFRQXIXSA-N 2 1 345.487 1.639 10 0 EDAEMP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1COCC[NH2+]1 ZINC000662918559 453603451 /nfs/dbraw/zinc/60/34/51/453603451.db2.gz FELLBXDIXDNORG-ZWKOTPCHSA-N 2 1 343.471 1.393 10 0 EDAEMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1COCC[NH2+]1 ZINC000662918559 453603454 /nfs/dbraw/zinc/60/34/54/453603454.db2.gz FELLBXDIXDNORG-ZWKOTPCHSA-N 2 1 343.471 1.393 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000246733100 535575306 /nfs/dbraw/zinc/57/53/06/535575306.db2.gz NIZXYEFYAFPTSX-OALUTQOASA-N 2 1 345.487 1.878 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000246733100 535575311 /nfs/dbraw/zinc/57/53/11/535575311.db2.gz NIZXYEFYAFPTSX-OALUTQOASA-N 2 1 345.487 1.878 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000246733100 535575315 /nfs/dbraw/zinc/57/53/15/535575315.db2.gz NIZXYEFYAFPTSX-OALUTQOASA-N 2 1 345.487 1.878 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000246733100 535575317 /nfs/dbraw/zinc/57/53/17/535575317.db2.gz NIZXYEFYAFPTSX-OALUTQOASA-N 2 1 345.487 1.878 10 0 EDAEMP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)CC[N@H+]1CCOC ZINC000246934608 536119394 /nfs/dbraw/zinc/11/93/94/536119394.db2.gz BWYAKUQASRYFJV-HOTGVXAUSA-N 2 1 328.501 1.469 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000178755394 282217115 /nfs/dbraw/zinc/21/71/15/282217115.db2.gz RXEHXLDNBVDWHQ-MRXNPFEDSA-N 2 1 348.447 1.021 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000178755394 282217116 /nfs/dbraw/zinc/21/71/16/282217116.db2.gz RXEHXLDNBVDWHQ-MRXNPFEDSA-N 2 1 348.447 1.021 10 0 EDAEMP C[N@@H+](C[C@H](O)CN1CCCC1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109742 138247023 /nfs/dbraw/zinc/24/70/23/138247023.db2.gz FILXWMOQHRPUPF-OALUTQOASA-N 2 1 345.487 1.424 10 0 EDAEMP C[NH+](C[C@H](O)CN1CCCC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109742 138247024 /nfs/dbraw/zinc/24/70/24/138247024.db2.gz FILXWMOQHRPUPF-OALUTQOASA-N 2 1 345.487 1.424 10 0 EDAEMP C[NH+](C[C@H](O)CN1CCCC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109742 138247025 /nfs/dbraw/zinc/24/70/25/138247025.db2.gz FILXWMOQHRPUPF-OALUTQOASA-N 2 1 345.487 1.424 10 0 EDAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@@H](C)O1 ZINC000246472996 139109559 /nfs/dbraw/zinc/10/95/59/139109559.db2.gz QTUFGBFJCUHNFT-ZACQAIPSSA-N 2 1 338.496 1.365 10 0 EDAEMP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247021861 139131817 /nfs/dbraw/zinc/13/18/17/139131817.db2.gz JHSFQNRJXDMQGS-ROUUACIJSA-N 2 1 329.444 1.194 10 0 EDAEMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247021861 139131818 /nfs/dbraw/zinc/13/18/18/139131818.db2.gz JHSFQNRJXDMQGS-ROUUACIJSA-N 2 1 329.444 1.194 10 0 EDAEMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247021861 139131819 /nfs/dbraw/zinc/13/18/19/139131819.db2.gz JHSFQNRJXDMQGS-ROUUACIJSA-N 2 1 329.444 1.194 10 0 EDAEMP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247021861 139131820 /nfs/dbraw/zinc/13/18/20/139131820.db2.gz JHSFQNRJXDMQGS-ROUUACIJSA-N 2 1 329.444 1.194 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000247202492 139140195 /nfs/dbraw/zinc/14/01/95/139140195.db2.gz XEYHYPALLCASPI-HOTGVXAUSA-N 2 1 342.447 1.585 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000247202492 139140196 /nfs/dbraw/zinc/14/01/96/139140196.db2.gz XEYHYPALLCASPI-HOTGVXAUSA-N 2 1 342.447 1.585 10 0 EDAEMP C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[N@H+]1CCCC[C@H]1C ZINC000262365906 139273619 /nfs/dbraw/zinc/27/36/19/139273619.db2.gz VQSSXYGZVCFMCA-WTTBNOFXSA-N 2 1 333.480 1.102 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOCC(F)(F)F)CC1 ZINC000105862679 441293933 /nfs/dbraw/zinc/29/39/33/441293933.db2.gz YEOZGVBYYQJPPG-CYBMUJFWSA-N 2 1 326.403 1.980 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000174952285 441989012 /nfs/dbraw/zinc/98/90/12/441989012.db2.gz BBUVJPFCCRUSQF-MRXNPFEDSA-N 2 1 325.497 1.676 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000174952285 441989020 /nfs/dbraw/zinc/98/90/20/441989020.db2.gz BBUVJPFCCRUSQF-MRXNPFEDSA-N 2 1 325.497 1.676 10 0 EDAEMP CCC[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000121037212 442168272 /nfs/dbraw/zinc/16/82/72/442168272.db2.gz JFWXQAKOMXLJEO-QGZVFWFLSA-N 2 1 338.540 1.783 10 0 EDAEMP CCn1cnnc1[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191587683 442470962 /nfs/dbraw/zinc/47/09/62/442470962.db2.gz BNGYCFOFHWHXCR-GOSISDBHSA-N 2 1 348.539 1.894 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000246755036 442811036 /nfs/dbraw/zinc/81/10/36/442811036.db2.gz ZOTLVTCRHOXZCI-BZUAXINKSA-N 2 1 338.496 1.364 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000246755036 442811041 /nfs/dbraw/zinc/81/10/41/442811041.db2.gz ZOTLVTCRHOXZCI-BZUAXINKSA-N 2 1 338.496 1.364 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000246755036 442811044 /nfs/dbraw/zinc/81/10/44/442811044.db2.gz ZOTLVTCRHOXZCI-BZUAXINKSA-N 2 1 338.496 1.364 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000248508406 442898421 /nfs/dbraw/zinc/89/84/21/442898421.db2.gz YCCXVZQBLLSJRF-IRXDYDNUSA-N 2 1 340.512 1.613 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000248508406 442898425 /nfs/dbraw/zinc/89/84/25/442898425.db2.gz YCCXVZQBLLSJRF-IRXDYDNUSA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000184865825 318539407 /nfs/dbraw/zinc/53/94/07/318539407.db2.gz QTSXLJSFPGYKBU-HZPDHXFCSA-N 2 1 328.501 1.061 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000184856061 443086587 /nfs/dbraw/zinc/08/65/87/443086587.db2.gz PYJCYXLMLYCSQG-GOSISDBHSA-N 2 1 348.491 1.346 10 0 EDAEMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000190926132 443210888 /nfs/dbraw/zinc/21/08/88/443210888.db2.gz SWJJYVXTFMZFQO-HJOIGYKYSA-N 2 1 326.481 1.744 10 0 EDAEMP CC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCN1CCOC ZINC000191484326 443301431 /nfs/dbraw/zinc/30/14/31/443301431.db2.gz IQZYYINFSSSFIY-IBGZPJMESA-N 2 1 340.556 1.445 10 0 EDAEMP CC[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000191484326 443301432 /nfs/dbraw/zinc/30/14/32/443301432.db2.gz IQZYYINFSSSFIY-IBGZPJMESA-N 2 1 340.556 1.445 10 0 EDAEMP CC[C@H]1CN(CCCN2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000191484326 443301433 /nfs/dbraw/zinc/30/14/33/443301433.db2.gz IQZYYINFSSSFIY-IBGZPJMESA-N 2 1 340.556 1.445 10 0 EDAEMP C[C@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283543 453635423 /nfs/dbraw/zinc/63/54/23/453635423.db2.gz PMZOPSZLXWVEDV-SXLOBPIMSA-N 2 1 330.520 1.780 10 0 EDAEMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665283543 453635428 /nfs/dbraw/zinc/63/54/28/453635428.db2.gz PMZOPSZLXWVEDV-SXLOBPIMSA-N 2 1 330.520 1.780 10 0 EDAEMP COC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])c1ccccc1Br ZINC000054022710 214210855 /nfs/dbraw/zinc/21/08/55/214210855.db2.gz AJWJJTQNKQVUQT-SMDDNHRTSA-N 2 1 331.254 1.778 10 0 EDAEMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246898258 139126093 /nfs/dbraw/zinc/12/60/93/139126093.db2.gz HODFMIKMKGSLCG-OALUTQOASA-N 2 1 343.471 1.584 10 0 EDAEMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246898258 139126094 /nfs/dbraw/zinc/12/60/94/139126094.db2.gz HODFMIKMKGSLCG-OALUTQOASA-N 2 1 343.471 1.584 10 0 EDAEMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246898258 139126095 /nfs/dbraw/zinc/12/60/95/139126095.db2.gz HODFMIKMKGSLCG-OALUTQOASA-N 2 1 343.471 1.584 10 0 EDAEMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246898258 139126096 /nfs/dbraw/zinc/12/60/96/139126096.db2.gz HODFMIKMKGSLCG-OALUTQOASA-N 2 1 343.471 1.584 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@H+]1CCOC ZINC000117489586 221070043 /nfs/dbraw/zinc/07/00/43/221070043.db2.gz TWOVFWYJKMERMP-HNNXBMFYSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)CC[NH+]1CCOC ZINC000117489586 221070045 /nfs/dbraw/zinc/07/00/45/221070045.db2.gz TWOVFWYJKMERMP-HNNXBMFYSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)CC[NH+]1CCOC ZINC000117489586 221070046 /nfs/dbraw/zinc/07/00/46/221070046.db2.gz TWOVFWYJKMERMP-HNNXBMFYSA-N 2 1 326.485 1.223 10 0 EDAEMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194148526 273000819 /nfs/dbraw/zinc/00/08/19/273000819.db2.gz ZYHWFKYFHWZRAM-QGZVFWFLSA-N 2 1 339.528 1.188 10 0 EDAEMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000194148526 273000820 /nfs/dbraw/zinc/00/08/20/273000820.db2.gz ZYHWFKYFHWZRAM-QGZVFWFLSA-N 2 1 339.528 1.188 10 0 EDAEMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194148526 273000821 /nfs/dbraw/zinc/00/08/21/273000821.db2.gz ZYHWFKYFHWZRAM-QGZVFWFLSA-N 2 1 339.528 1.188 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)Cc2ccccc2)CC1 ZINC000105862109 274267606 /nfs/dbraw/zinc/26/76/06/274267606.db2.gz OTPOPPNUKJBUPU-QGZVFWFLSA-N 2 1 347.503 1.670 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184590405 276182381 /nfs/dbraw/zinc/18/23/81/276182381.db2.gz SSGULFDKNBVOMU-OALUTQOASA-N 2 1 346.519 1.822 10 0 EDAEMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248087964 277165976 /nfs/dbraw/zinc/16/59/76/277165976.db2.gz SZCCNSNGTFTEJW-BZSNNMDCSA-N 2 1 328.460 1.921 10 0 EDAEMP C[NH+]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248087964 277165977 /nfs/dbraw/zinc/16/59/77/277165977.db2.gz SZCCNSNGTFTEJW-BZSNNMDCSA-N 2 1 328.460 1.921 10 0 EDAEMP C[NH+]1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000248087964 277165978 /nfs/dbraw/zinc/16/59/78/277165978.db2.gz SZCCNSNGTFTEJW-BZSNNMDCSA-N 2 1 328.460 1.921 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184696521 280204578 /nfs/dbraw/zinc/20/45/78/280204578.db2.gz BRQUWSFIMFMWOR-QZTJIDSGSA-N 2 1 348.491 1.387 10 0 EDAEMP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000117478070 288262780 /nfs/dbraw/zinc/26/27/80/288262780.db2.gz HRUKUFYQTKXNIS-IRXDYDNUSA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000118751877 441903357 /nfs/dbraw/zinc/90/33/57/441903357.db2.gz YYRRESTZKQJBBA-QGZVFWFLSA-N 2 1 334.464 1.669 10 0 EDAEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000151342576 442045506 /nfs/dbraw/zinc/04/55/06/442045506.db2.gz FXKGFVXWUGJRTO-YJBOKZPZSA-N 2 1 329.448 1.765 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377505 442344168 /nfs/dbraw/zinc/34/41/68/442344168.db2.gz YMMGHNNRWIYXBI-MOPGFXCFSA-N 2 1 344.503 1.897 10 0 EDAEMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000171903226 442388959 /nfs/dbraw/zinc/38/89/59/442388959.db2.gz AESPLCUELRRDDR-IAGOWNOFSA-N 2 1 334.439 1.918 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193938494 442815888 /nfs/dbraw/zinc/81/58/88/442815888.db2.gz JPUMALQNRMTLIZ-INIZCTEOSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193938494 442815891 /nfs/dbraw/zinc/81/58/91/442815891.db2.gz JPUMALQNRMTLIZ-INIZCTEOSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000193938494 442815893 /nfs/dbraw/zinc/81/58/93/442815893.db2.gz JPUMALQNRMTLIZ-INIZCTEOSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000193938494 442815895 /nfs/dbraw/zinc/81/58/95/442815895.db2.gz JPUMALQNRMTLIZ-INIZCTEOSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000249773216 443004615 /nfs/dbraw/zinc/00/46/15/443004615.db2.gz UNZAXCTUPLKLBY-DLBZAZTESA-N 2 1 339.528 1.042 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000249773216 443004617 /nfs/dbraw/zinc/00/46/17/443004617.db2.gz UNZAXCTUPLKLBY-DLBZAZTESA-N 2 1 339.528 1.042 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000249773216 443004623 /nfs/dbraw/zinc/00/46/23/443004623.db2.gz UNZAXCTUPLKLBY-DLBZAZTESA-N 2 1 339.528 1.042 10 0 EDAEMP CN(C(=O)C1([NH3+])CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388568115 447480232 /nfs/dbraw/zinc/48/02/32/447480232.db2.gz BWZPAAAUGSCWDC-QGZVFWFLSA-N 2 1 331.460 1.617 10 0 EDAEMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999201 447693311 /nfs/dbraw/zinc/69/33/11/447693311.db2.gz UGQKLSGRHXLHAF-VBQJREDUSA-N 2 1 327.469 1.288 10 0 EDAEMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999201 447693316 /nfs/dbraw/zinc/69/33/16/447693316.db2.gz UGQKLSGRHXLHAF-VBQJREDUSA-N 2 1 327.469 1.288 10 0 EDAEMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)CC1 ZINC000583621155 448452266 /nfs/dbraw/zinc/45/22/66/448452266.db2.gz HJQGTHXJMYMZGS-QFBILLFUSA-N 2 1 347.507 1.651 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638107818 451275101 /nfs/dbraw/zinc/27/51/01/451275101.db2.gz HVBPWNHXIMNSDA-ZWKOTPCHSA-N 2 1 332.492 1.388 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638107818 451275107 /nfs/dbraw/zinc/27/51/07/451275107.db2.gz HVBPWNHXIMNSDA-ZWKOTPCHSA-N 2 1 332.492 1.388 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638107818 451275111 /nfs/dbraw/zinc/27/51/11/451275111.db2.gz HVBPWNHXIMNSDA-ZWKOTPCHSA-N 2 1 332.492 1.388 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000638835512 451705516 /nfs/dbraw/zinc/70/55/16/451705516.db2.gz MALUPAJDFNYQCH-AEFFLSMTSA-N 2 1 345.487 1.626 10 0 EDAEMP COC[C@@]1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659316128 453712546 /nfs/dbraw/zinc/71/25/46/453712546.db2.gz AMZJOBSFMNWHNU-PKOBYXMFSA-N 2 1 331.460 1.488 10 0 EDAEMP Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000114456721 138310285 /nfs/dbraw/zinc/31/02/85/138310285.db2.gz LHEFIRAKCFZHJZ-GOSISDBHSA-N 2 1 347.507 1.817 10 0 EDAEMP Cc1cnn([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000114456721 138310286 /nfs/dbraw/zinc/31/02/86/138310286.db2.gz LHEFIRAKCFZHJZ-GOSISDBHSA-N 2 1 347.507 1.817 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(N)c3ccccc3n2)CC1 ZINC000106125515 204188305 /nfs/dbraw/zinc/18/83/05/204188305.db2.gz NAQCENRSEBRPII-AWEZNQCLSA-N 2 1 343.475 1.737 10 0 EDAEMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000262304960 139268391 /nfs/dbraw/zinc/26/83/91/139268391.db2.gz PYNACCGTPOFMAK-XBVQOTNRSA-N 2 1 333.480 1.054 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CCOC ZINC000117492812 221072629 /nfs/dbraw/zinc/07/26/29/221072629.db2.gz JDJDKKYWKQDVRR-MRXNPFEDSA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CCOC ZINC000117492812 221072631 /nfs/dbraw/zinc/07/26/31/221072631.db2.gz JDJDKKYWKQDVRR-MRXNPFEDSA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CCOC ZINC000117492812 221072632 /nfs/dbraw/zinc/07/26/32/221072632.db2.gz JDJDKKYWKQDVRR-MRXNPFEDSA-N 2 1 340.512 1.613 10 0 EDAEMP C[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1C[NH2+]C1 ZINC000262463480 278209010 /nfs/dbraw/zinc/20/90/10/278209010.db2.gz XLYJFDHKBGXCIV-LSDHHAIUSA-N 2 1 331.460 1.379 10 0 EDAEMP C[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1C[NH2+]C1 ZINC000262463480 278209011 /nfs/dbraw/zinc/20/90/11/278209011.db2.gz XLYJFDHKBGXCIV-LSDHHAIUSA-N 2 1 331.460 1.379 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000177529421 279325657 /nfs/dbraw/zinc/32/56/57/279325657.db2.gz LDWHOJNSFOZCTP-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000177529421 279325659 /nfs/dbraw/zinc/32/56/59/279325659.db2.gz LDWHOJNSFOZCTP-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000177529421 279325660 /nfs/dbraw/zinc/32/56/60/279325660.db2.gz LDWHOJNSFOZCTP-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)CC1 ZINC000105862364 441293697 /nfs/dbraw/zinc/29/36/97/441293697.db2.gz FAZJGZMKLYYYRC-OAHLLOKOSA-N 2 1 344.459 1.219 10 0 EDAEMP Cc1[nH+]ccn1-c1cncc(NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000092913905 441839410 /nfs/dbraw/zinc/83/94/10/441839410.db2.gz LEPOBAUYNNLANH-OAHLLOKOSA-N 2 1 342.447 1.884 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1CC ZINC000116769767 441843011 /nfs/dbraw/zinc/84/30/11/441843011.db2.gz RMIDEDDLGMUEHG-SJORKVTESA-N 2 1 325.497 1.820 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1CC ZINC000116769767 441843015 /nfs/dbraw/zinc/84/30/15/441843015.db2.gz RMIDEDDLGMUEHG-SJORKVTESA-N 2 1 325.497 1.820 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1CC ZINC000116769767 441843022 /nfs/dbraw/zinc/84/30/22/441843022.db2.gz RMIDEDDLGMUEHG-SJORKVTESA-N 2 1 325.497 1.820 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1CC ZINC000116769767 441843028 /nfs/dbraw/zinc/84/30/28/441843028.db2.gz RMIDEDDLGMUEHG-SJORKVTESA-N 2 1 325.497 1.820 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000163150801 442147238 /nfs/dbraw/zinc/14/72/38/442147238.db2.gz HZDBURIJQLIGSW-WBVHZDCISA-N 2 1 339.528 1.040 10 0 EDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000163150801 442147243 /nfs/dbraw/zinc/14/72/43/442147243.db2.gz HZDBURIJQLIGSW-WBVHZDCISA-N 2 1 339.528 1.040 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000163150801 442147248 /nfs/dbraw/zinc/14/72/48/442147248.db2.gz HZDBURIJQLIGSW-WBVHZDCISA-N 2 1 339.528 1.040 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C(N)=O)cs2)CC1 ZINC000121149486 442183514 /nfs/dbraw/zinc/18/35/14/442183514.db2.gz URYNUGVUEFINPV-LBPRGKRZSA-N 2 1 325.478 1.372 10 0 EDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000180354195 442585394 /nfs/dbraw/zinc/58/53/94/442585394.db2.gz AIOLTXNCHMZVGS-SJORKVTESA-N 2 1 348.491 1.527 10 0 EDAEMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000246358296 442775644 /nfs/dbraw/zinc/77/56/44/442775644.db2.gz PRIYIWKTDMNCSK-ZACQAIPSSA-N 2 1 338.496 1.223 10 0 EDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000246358296 442775648 /nfs/dbraw/zinc/77/56/48/442775648.db2.gz PRIYIWKTDMNCSK-ZACQAIPSSA-N 2 1 338.496 1.223 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000193933536 442814476 /nfs/dbraw/zinc/81/44/76/442814476.db2.gz SJUNGWNLXLFIGQ-QGZVFWFLSA-N 2 1 346.475 1.663 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000193933536 442814477 /nfs/dbraw/zinc/81/44/77/442814477.db2.gz SJUNGWNLXLFIGQ-QGZVFWFLSA-N 2 1 346.475 1.663 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000181883929 318491818 /nfs/dbraw/zinc/49/18/18/318491818.db2.gz UKOGXSKFPKPWHF-KRWDZBQOSA-N 2 1 342.528 1.593 10 0 EDAEMP CCOCCN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000249280540 442963220 /nfs/dbraw/zinc/96/32/20/442963220.db2.gz MMLGGQJPUVGPNX-LJQANCHMSA-N 2 1 340.556 1.445 10 0 EDAEMP CCOCC[N@@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000249280540 442963223 /nfs/dbraw/zinc/96/32/23/442963223.db2.gz MMLGGQJPUVGPNX-LJQANCHMSA-N 2 1 340.556 1.445 10 0 EDAEMP CCOCC[N@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000249280540 442963226 /nfs/dbraw/zinc/96/32/26/442963226.db2.gz MMLGGQJPUVGPNX-LJQANCHMSA-N 2 1 340.556 1.445 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000184745436 443070903 /nfs/dbraw/zinc/07/09/03/443070903.db2.gz BVCZFMGETJVATD-IAGOWNOFSA-N 2 1 340.512 1.349 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H]1C ZINC000185190477 443157219 /nfs/dbraw/zinc/15/72/19/443157219.db2.gz HBOVMENPQMZPKJ-INIZCTEOSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H]1C ZINC000185190477 443157221 /nfs/dbraw/zinc/15/72/21/443157221.db2.gz HBOVMENPQMZPKJ-INIZCTEOSA-N 2 1 340.512 1.471 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643780290 452631635 /nfs/dbraw/zinc/63/16/35/452631635.db2.gz BTRVGPCOLDARKG-SJLPKXTDSA-N 2 1 331.460 1.345 10 0 EDAEMP COC[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000643781177 452632553 /nfs/dbraw/zinc/63/25/53/452632553.db2.gz LBWCYASDXKHHIO-WDYCEAGBSA-N 2 1 331.460 1.392 10 0 EDAEMP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262349499 536777914 /nfs/dbraw/zinc/77/79/14/536777914.db2.gz HCQDAULKZKSPAP-WMZOPIPTSA-N 2 1 339.524 1.972 10 0 EDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000245756841 139085401 /nfs/dbraw/zinc/08/54/01/139085401.db2.gz YOANUKDTKLNWMN-OALUTQOASA-N 2 1 347.503 1.512 10 0 EDAEMP C[NH+]1CCN([C@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c2ccccc2)CC1 ZINC000261774498 139224956 /nfs/dbraw/zinc/22/49/56/139224956.db2.gz FVPIWJNZJWULQE-MSOLQXFVSA-N 2 1 344.503 1.561 10 0 EDAEMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262207516 139259893 /nfs/dbraw/zinc/25/98/93/139259893.db2.gz IPTAGIWRDQQZPM-QGZVFWFLSA-N 2 1 345.491 1.343 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000117483689 221069720 /nfs/dbraw/zinc/06/97/20/221069720.db2.gz LSNALVKJRXEKAD-HZPDHXFCSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000117483689 221069723 /nfs/dbraw/zinc/06/97/23/221069723.db2.gz LSNALVKJRXEKAD-HZPDHXFCSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000117483689 221069725 /nfs/dbraw/zinc/06/97/25/221069725.db2.gz LSNALVKJRXEKAD-HZPDHXFCSA-N 2 1 326.485 1.223 10 0 EDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117488294 221070759 /nfs/dbraw/zinc/07/07/59/221070759.db2.gz BCOAXIZHEFJBCV-INIZCTEOSA-N 2 1 340.512 1.471 10 0 EDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117488294 221070761 /nfs/dbraw/zinc/07/07/61/221070761.db2.gz BCOAXIZHEFJBCV-INIZCTEOSA-N 2 1 340.512 1.471 10 0 EDAEMP COC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915687 441316652 /nfs/dbraw/zinc/31/66/52/441316652.db2.gz MQSRXUCDYOGKTI-YJBOKZPZSA-N 2 1 334.460 1.925 10 0 EDAEMP COC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915687 441316662 /nfs/dbraw/zinc/31/66/62/441316662.db2.gz MQSRXUCDYOGKTI-YJBOKZPZSA-N 2 1 334.460 1.925 10 0 EDAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000173749073 441833959 /nfs/dbraw/zinc/83/39/59/441833959.db2.gz AEOGZMGYNDILIL-IBGZPJMESA-N 2 1 342.487 1.749 10 0 EDAEMP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000176001155 442159501 /nfs/dbraw/zinc/15/95/01/442159501.db2.gz UIJCOMMMZASOHM-QGZVFWFLSA-N 2 1 349.479 1.476 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1CC ZINC000168080929 442222934 /nfs/dbraw/zinc/22/29/34/442222934.db2.gz MILKMFDIWDIWLI-XSLAGTTESA-N 2 1 337.508 1.866 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1CC ZINC000168080929 442222935 /nfs/dbraw/zinc/22/29/35/442222935.db2.gz MILKMFDIWDIWLI-XSLAGTTESA-N 2 1 337.508 1.866 10 0 EDAEMP Cc1cc(N2CCC(NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)nc(C)[nH+]1 ZINC000176894094 442268889 /nfs/dbraw/zinc/26/88/89/442268889.db2.gz CCALYLOFSKTWOX-MRXNPFEDSA-N 2 1 346.479 1.408 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377493 442344433 /nfs/dbraw/zinc/34/44/33/442344433.db2.gz YMMGHNNRWIYXBI-OALUTQOASA-N 2 1 344.503 1.897 10 0 EDAEMP C(=C/CN1CC[NH+]2CCCC[C@H]2C1)\CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177766336 442381370 /nfs/dbraw/zinc/38/13/70/442381370.db2.gz AMJUNWGTNDECMS-VGIQHARFSA-N 2 1 332.536 1.883 10 0 EDAEMP C(=C/CN1CC[N@@H+]2CCCC[C@H]2C1)\CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000177766336 442381372 /nfs/dbraw/zinc/38/13/72/442381372.db2.gz AMJUNWGTNDECMS-VGIQHARFSA-N 2 1 332.536 1.883 10 0 EDAEMP C(=C/CN1CC[N@H+]2CCCC[C@H]2C1)\CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000177766336 442381374 /nfs/dbraw/zinc/38/13/74/442381374.db2.gz AMJUNWGTNDECMS-VGIQHARFSA-N 2 1 332.536 1.883 10 0 EDAEMP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178320087 442424242 /nfs/dbraw/zinc/42/42/42/442424242.db2.gz KNRAMENFBGSEPH-QGZVFWFLSA-N 2 1 342.443 1.981 10 0 EDAEMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178320087 442424244 /nfs/dbraw/zinc/42/42/44/442424244.db2.gz KNRAMENFBGSEPH-QGZVFWFLSA-N 2 1 342.443 1.981 10 0 EDAEMP CC[C@H](C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000191910030 442538924 /nfs/dbraw/zinc/53/89/24/442538924.db2.gz JEAXVBLNWOKALG-OAHLLOKOSA-N 2 1 341.496 1.591 10 0 EDAEMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000191910030 442538927 /nfs/dbraw/zinc/53/89/27/442538927.db2.gz JEAXVBLNWOKALG-OAHLLOKOSA-N 2 1 341.496 1.591 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000182896875 442843691 /nfs/dbraw/zinc/84/36/91/442843691.db2.gz ZJGMHRCOOBORDE-MSOLQXFVSA-N 2 1 346.475 1.099 10 0 EDAEMP CC[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1C[C@H](C)O ZINC000248431850 442891197 /nfs/dbraw/zinc/89/11/97/442891197.db2.gz BVCZFMGETJVATD-IRXDYDNUSA-N 2 1 340.512 1.349 10 0 EDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246189797 443277277 /nfs/dbraw/zinc/27/72/77/443277277.db2.gz VHMVVEJYTVCEAA-ZACQAIPSSA-N 2 1 338.496 1.223 10 0 EDAEMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000638087362 451251289 /nfs/dbraw/zinc/25/12/89/451251289.db2.gz RPQFSOSCVCKOFT-MSOLQXFVSA-N 2 1 330.476 1.142 10 0 EDAEMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000638087362 451251293 /nfs/dbraw/zinc/25/12/93/451251293.db2.gz RPQFSOSCVCKOFT-MSOLQXFVSA-N 2 1 330.476 1.142 10 0 EDAEMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000638087362 451251296 /nfs/dbraw/zinc/25/12/96/451251296.db2.gz RPQFSOSCVCKOFT-MSOLQXFVSA-N 2 1 330.476 1.142 10 0 EDAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741702 453468142 /nfs/dbraw/zinc/46/81/42/453468142.db2.gz GIIAVNXEIAAWNA-YTQUADARSA-N 2 1 344.503 1.307 10 0 EDAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741702 453468147 /nfs/dbraw/zinc/46/81/47/453468147.db2.gz GIIAVNXEIAAWNA-YTQUADARSA-N 2 1 344.503 1.307 10 0 EDAEMP COC[C@@]1(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659248324 453684101 /nfs/dbraw/zinc/68/41/01/453684101.db2.gz WRHJPUDPSZALEM-AZUAARDMSA-N 2 1 345.487 1.878 10 0 EDAEMP CCN1CC[NH+](CCCN2Cc3c(cccc3OC)[C@@H]2C[NH3+])CC1 ZINC000071683166 203103818 /nfs/dbraw/zinc/10/38/18/203103818.db2.gz BRFQEWLWOAFLNN-SFHVURJKSA-N 2 1 332.492 1.538 10 0 EDAEMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072409769 203217794 /nfs/dbraw/zinc/21/77/94/203217794.db2.gz SMXOIDZIYMDNTD-OAHLLOKOSA-N 2 1 333.480 1.265 10 0 EDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000247277581 139143460 /nfs/dbraw/zinc/14/34/60/139143460.db2.gz KEGHJEBEOWFQCU-LSDHHAIUSA-N 2 1 326.485 1.125 10 0 EDAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000177394732 207331918 /nfs/dbraw/zinc/33/19/18/207331918.db2.gz JPGWYJCEHFJAIW-KRWDZBQOSA-N 2 1 344.459 1.383 10 0 EDAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000177394732 207331923 /nfs/dbraw/zinc/33/19/23/207331923.db2.gz JPGWYJCEHFJAIW-KRWDZBQOSA-N 2 1 344.459 1.383 10 0 EDAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC000117448679 221065855 /nfs/dbraw/zinc/06/58/55/221065855.db2.gz ZZCCVHVNGWHOSK-DLBZAZTESA-N 2 1 340.512 1.471 10 0 EDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC000117448679 221065858 /nfs/dbraw/zinc/06/58/58/221065858.db2.gz ZZCCVHVNGWHOSK-DLBZAZTESA-N 2 1 340.512 1.471 10 0 EDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)C1 ZINC000117448679 221065863 /nfs/dbraw/zinc/06/58/63/221065863.db2.gz ZZCCVHVNGWHOSK-DLBZAZTESA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000121258271 287369516 /nfs/dbraw/zinc/36/95/16/287369516.db2.gz XQKQLZVAIUEJRI-GJZGRUSLSA-N 2 1 328.501 1.325 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000121258271 287369518 /nfs/dbraw/zinc/36/95/18/287369518.db2.gz XQKQLZVAIUEJRI-GJZGRUSLSA-N 2 1 328.501 1.325 10 0 EDAEMP CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000115817079 441781497 /nfs/dbraw/zinc/78/14/97/441781497.db2.gz ZQPYSIYILFRCLL-UHFFFAOYSA-N 2 1 348.495 1.122 10 0 EDAEMP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000115817079 441781504 /nfs/dbraw/zinc/78/15/04/441781504.db2.gz ZQPYSIYILFRCLL-UHFFFAOYSA-N 2 1 348.495 1.122 10 0 EDAEMP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000115817079 441781508 /nfs/dbraw/zinc/78/15/08/441781508.db2.gz ZQPYSIYILFRCLL-UHFFFAOYSA-N 2 1 348.495 1.122 10 0 EDAEMP CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CC1 ZINC000115817079 441781515 /nfs/dbraw/zinc/78/15/15/441781515.db2.gz ZQPYSIYILFRCLL-UHFFFAOYSA-N 2 1 348.495 1.122 10 0 EDAEMP O=C(C[NH2+]C1CCCC1)N[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000143760397 441874726 /nfs/dbraw/zinc/87/47/26/441874726.db2.gz SLVLXZCCGMLFOQ-CQSZACIVSA-N 2 1 342.447 1.575 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000178306059 442423263 /nfs/dbraw/zinc/42/32/63/442423263.db2.gz FHUGXBSOWSPRRU-DZGCQCFKSA-N 2 1 335.452 1.526 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000178306059 442423265 /nfs/dbraw/zinc/42/32/65/442423265.db2.gz FHUGXBSOWSPRRU-DZGCQCFKSA-N 2 1 335.452 1.526 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H]1CC ZINC000133759969 442432859 /nfs/dbraw/zinc/43/28/59/442432859.db2.gz CXZWWGPVOSUWKC-CABCVRRESA-N 2 1 329.510 1.041 10 0 EDAEMP COCc1noc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000181831585 442718881 /nfs/dbraw/zinc/71/88/81/442718881.db2.gz XUNLBWKICCMBQE-OLZOCXBDSA-N 2 1 326.441 1.302 10 0 EDAEMP COCc1noc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000181831585 442718882 /nfs/dbraw/zinc/71/88/82/442718882.db2.gz XUNLBWKICCMBQE-OLZOCXBDSA-N 2 1 326.441 1.302 10 0 EDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000246499154 442787172 /nfs/dbraw/zinc/78/71/72/442787172.db2.gz RZEAFRRSQDAPBU-WMLDXEAASA-N 2 1 346.475 1.532 10 0 EDAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247083521 442834394 /nfs/dbraw/zinc/83/43/94/442834394.db2.gz JGXBXBMZKIKTPF-BRWVUGGUSA-N 2 1 340.512 1.371 10 0 EDAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000247083521 442834397 /nfs/dbraw/zinc/83/43/97/442834397.db2.gz JGXBXBMZKIKTPF-BRWVUGGUSA-N 2 1 340.512 1.371 10 0 EDAEMP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)CC1 ZINC000185008692 443117668 /nfs/dbraw/zinc/11/76/68/443117668.db2.gz SAZVHNXDKPSGLA-KRWDZBQOSA-N 2 1 340.512 1.349 10 0 EDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000245830252 443251699 /nfs/dbraw/zinc/25/16/99/443251699.db2.gz BPVREKHPIZRMCG-WMZOPIPTSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245830252 443251702 /nfs/dbraw/zinc/25/17/02/443251702.db2.gz BPVREKHPIZRMCG-WMZOPIPTSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245830252 443251706 /nfs/dbraw/zinc/25/17/06/443251706.db2.gz BPVREKHPIZRMCG-WMZOPIPTSA-N 2 1 330.476 1.997 10 0 EDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000191495501 443303125 /nfs/dbraw/zinc/30/31/25/443303125.db2.gz KAXFBUBHGLHDJX-SFHVURJKSA-N 2 1 334.512 1.406 10 0 EDAEMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246504087 296090661 /nfs/dbraw/zinc/09/06/61/296090661.db2.gz UBECFPNPLYEABJ-HKUYNNGSSA-N 2 1 343.471 1.491 10 0 EDAEMP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246504087 296090663 /nfs/dbraw/zinc/09/06/63/296090663.db2.gz UBECFPNPLYEABJ-HKUYNNGSSA-N 2 1 343.471 1.491 10 0 EDAEMP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000133009168 205352313 /nfs/dbraw/zinc/35/23/13/205352313.db2.gz YOFAWLDQTQBEHH-OAHLLOKOSA-N 2 1 340.493 1.453 10 0 EDAEMP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000133009168 205352317 /nfs/dbraw/zinc/35/23/17/205352317.db2.gz YOFAWLDQTQBEHH-OAHLLOKOSA-N 2 1 340.493 1.453 10 0 EDAEMP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000247021319 139131796 /nfs/dbraw/zinc/13/17/96/139131796.db2.gz HRUKUFYQTKXNIS-SJORKVTESA-N 2 1 340.512 1.613 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOCC(F)(F)F)CC1 ZINC000105862677 206454706 /nfs/dbraw/zinc/45/47/06/206454706.db2.gz YEOZGVBYYQJPPG-ZDUSSCGKSA-N 2 1 326.403 1.980 10 0 EDAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899716 288066021 /nfs/dbraw/zinc/06/60/21/288066021.db2.gz JNQTYHKGFWAJSA-OWCLPIDISA-N 2 1 338.496 1.364 10 0 EDAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899716 288066027 /nfs/dbraw/zinc/06/60/27/288066027.db2.gz JNQTYHKGFWAJSA-OWCLPIDISA-N 2 1 338.496 1.364 10 0 EDAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899716 288066029 /nfs/dbraw/zinc/06/60/29/288066029.db2.gz JNQTYHKGFWAJSA-OWCLPIDISA-N 2 1 338.496 1.364 10 0 EDAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899716 288066031 /nfs/dbraw/zinc/06/60/31/288066031.db2.gz JNQTYHKGFWAJSA-OWCLPIDISA-N 2 1 338.496 1.364 10 0 EDAEMP C[N@@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000054764255 441595588 /nfs/dbraw/zinc/59/55/88/441595588.db2.gz JPPRRTPCXAHRBR-SFHVURJKSA-N 2 1 348.491 1.264 10 0 EDAEMP O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125850205 442054184 /nfs/dbraw/zinc/05/41/84/442054184.db2.gz DLXRZWIMDVMSEN-RTBURBONSA-N 2 1 343.471 1.584 10 0 EDAEMP O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125850205 442054189 /nfs/dbraw/zinc/05/41/89/442054189.db2.gz DLXRZWIMDVMSEN-RTBURBONSA-N 2 1 343.471 1.584 10 0 EDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000180757050 442656596 /nfs/dbraw/zinc/65/65/96/442656596.db2.gz UCXZCXHXPSSSII-IAGOWNOFSA-N 2 1 348.491 1.215 10 0 EDAEMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000180757050 442656599 /nfs/dbraw/zinc/65/65/99/442656599.db2.gz UCXZCXHXPSSSII-IAGOWNOFSA-N 2 1 348.491 1.215 10 0 EDAEMP C[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000180757050 442656602 /nfs/dbraw/zinc/65/66/02/442656602.db2.gz UCXZCXHXPSSSII-IAGOWNOFSA-N 2 1 348.491 1.215 10 0 EDAEMP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247119511 442837200 /nfs/dbraw/zinc/83/72/00/442837200.db2.gz JMSZAMVGFGLMOU-JKSUJKDBSA-N 2 1 327.513 1.562 10 0 EDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000191495518 443303478 /nfs/dbraw/zinc/30/34/78/443303478.db2.gz KAXFBUBHGLHDJX-GOSISDBHSA-N 2 1 334.512 1.406 10 0 EDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741189 453466337 /nfs/dbraw/zinc/46/63/37/453466337.db2.gz DIXSCJHJWBKCGZ-FGTMMUONSA-N 2 1 330.476 1.046 10 0 EDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662741189 453466343 /nfs/dbraw/zinc/46/63/43/453466343.db2.gz DIXSCJHJWBKCGZ-FGTMMUONSA-N 2 1 330.476 1.046 10 0 EDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662740986 453467844 /nfs/dbraw/zinc/46/78/44/453467844.db2.gz BMHZJBGTHDXBNI-MOPGFXCFSA-N 2 1 344.503 1.309 10 0 EDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662740986 453467851 /nfs/dbraw/zinc/46/78/51/453467851.db2.gz BMHZJBGTHDXBNI-MOPGFXCFSA-N 2 1 344.503 1.309 10 0 EDAEMP COC[C@@]1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000659316126 453712695 /nfs/dbraw/zinc/71/26/95/453712695.db2.gz AMZJOBSFMNWHNU-IEBWSBKVSA-N 2 1 331.460 1.488 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[N@H+]1CCOC ZINC000247189174 535833409 /nfs/dbraw/zinc/83/34/09/535833409.db2.gz SFOGYGUJVVMLQO-IAGOWNOFSA-N 2 1 342.528 1.715 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247265962 536869635 /nfs/dbraw/zinc/86/96/35/536869635.db2.gz YZOWLJGEMIQRNP-FUHWJXTLSA-N 2 1 348.491 1.651 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247265962 536869640 /nfs/dbraw/zinc/86/96/40/536869640.db2.gz YZOWLJGEMIQRNP-FUHWJXTLSA-N 2 1 348.491 1.651 10 0 EDAEMP C[C@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948542 578318364 /nfs/dbraw/zinc/31/83/64/578318364.db2.gz CLFZMVBSHBUQQF-HKUYNNGSSA-N 2 1 331.504 1.943 10 0 EDAEMP C[C@H](NC1CC[NH+](CCO)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948542 578318365 /nfs/dbraw/zinc/31/83/65/578318365.db2.gz CLFZMVBSHBUQQF-HKUYNNGSSA-N 2 1 331.504 1.943 10 0 EDAEMP C[C@H](NC1CC[NH+](CCO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948542 578318366 /nfs/dbraw/zinc/31/83/66/578318366.db2.gz CLFZMVBSHBUQQF-HKUYNNGSSA-N 2 1 331.504 1.943 10 0 EDAEMP CCC[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[NH+](C)C ZINC000126577018 138338366 /nfs/dbraw/zinc/33/83/66/138338366.db2.gz FPSBKWBIPOSHQY-UJJTZGENSA-N 2 1 336.524 1.486 10 0 EDAEMP NC(=[NH2+])c1ccc2[nH]c(Cc3nc4ccc(C(N)=[NH2+])cc4[nH]3)nc2c1 ZINC000003871731 201360546 /nfs/dbraw/zinc/36/05/46/201360546.db2.gz QZKOOEFIMWKZPK-UHFFFAOYSA-N 2 1 332.371 1.598 10 0 in-vivo EDAEMP NC(=[NH2+])c1ccc2nc(Cc3nc4ccc(C(N)=[NH2+])cc4[nH]3)[nH]c2c1 ZINC000003871731 201360547 /nfs/dbraw/zinc/36/05/47/201360547.db2.gz QZKOOEFIMWKZPK-UHFFFAOYSA-N 2 1 332.371 1.598 10 0 in-vivo EDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000104898331 204124962 /nfs/dbraw/zinc/12/49/62/204124962.db2.gz SEZHPMMLIKLLBF-ZWKOTPCHSA-N 2 1 330.476 1.138 10 0 EDAEMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2F)CC1 ZINC000236997668 139037729 /nfs/dbraw/zinc/03/77/29/139037729.db2.gz ZHTANBRYNADZQV-RDJZCZTQSA-N 2 1 348.466 1.825 10 0 EDAEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCOCC1 ZINC000080544435 217312689 /nfs/dbraw/zinc/31/26/89/217312689.db2.gz KUYBOYYHNVJXNW-YJBOKZPZSA-N 2 1 349.450 1.627 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000247438574 139148528 /nfs/dbraw/zinc/14/85/28/139148528.db2.gz RVGPOELVIICDRO-NVXWUHKLSA-N 2 1 338.496 1.221 10 0 EDAEMP C[C@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)C1C[NH2+]C1 ZINC000262022705 139244497 /nfs/dbraw/zinc/24/44/97/139244497.db2.gz APXPUSVEQDDWGP-ZFWWWQNUSA-N 2 1 344.459 1.178 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H]1CC ZINC000262392272 139275698 /nfs/dbraw/zinc/27/56/98/139275698.db2.gz OJBNCYBNUGMMPY-JENIJYKNSA-N 2 1 337.508 1.726 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H]1CC ZINC000262392272 139275699 /nfs/dbraw/zinc/27/56/99/139275699.db2.gz OJBNCYBNUGMMPY-JENIJYKNSA-N 2 1 337.508 1.726 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC000246947907 285043780 /nfs/dbraw/zinc/04/37/80/285043780.db2.gz COEFIWPUOYWRPS-HZPDHXFCSA-N 2 1 326.485 1.223 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC000246947907 285043781 /nfs/dbraw/zinc/04/37/81/285043781.db2.gz COEFIWPUOYWRPS-HZPDHXFCSA-N 2 1 326.485 1.223 10 0 EDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000333472100 141322869 /nfs/dbraw/zinc/32/28/69/141322869.db2.gz AKZVZDWMKRVPHU-OWLYRPNTSA-N 2 1 330.476 1.851 10 0 EDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000246333342 287226703 /nfs/dbraw/zinc/22/67/03/287226703.db2.gz ONEAETRCTVIGDD-SJORKVTESA-N 2 1 338.496 1.365 10 0 EDAEMP CC[NH+](CC)CCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175614030 442093338 /nfs/dbraw/zinc/09/33/38/442093338.db2.gz OIFVZWFCPPSRLD-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP COCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000121190344 442189862 /nfs/dbraw/zinc/18/98/62/442189862.db2.gz XBDYVQOSZITPAP-WBVHZDCISA-N 2 1 340.512 1.515 10 0 EDAEMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000170830992 442270714 /nfs/dbraw/zinc/27/07/14/442270714.db2.gz XHGXFGNUZXFRRY-CRAIPNDOSA-N 2 1 330.476 1.779 10 0 EDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133618121 442426993 /nfs/dbraw/zinc/42/69/93/442426993.db2.gz UVLFVHPSKIWABY-QRQLOZEOSA-N 2 1 343.471 1.583 10 0 EDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000133618121 442426994 /nfs/dbraw/zinc/42/69/94/442426994.db2.gz UVLFVHPSKIWABY-QRQLOZEOSA-N 2 1 343.471 1.583 10 0 EDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133618121 442426997 /nfs/dbraw/zinc/42/69/97/442426997.db2.gz UVLFVHPSKIWABY-QRQLOZEOSA-N 2 1 343.471 1.583 10 0 EDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133618121 442426999 /nfs/dbraw/zinc/42/69/99/442426999.db2.gz UVLFVHPSKIWABY-QRQLOZEOSA-N 2 1 343.471 1.583 10 0 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CCOCC[N@@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000192734869 442681342 /nfs/dbraw/zinc/68/13/42/442681342.db2.gz MMLGGQJPUVGPNX-IBGZPJMESA-N 2 1 340.556 1.445 10 0 EDAEMP CCOCC[N@H+]1CCN(CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000192734869 442681343 /nfs/dbraw/zinc/68/13/43/442681343.db2.gz MMLGGQJPUVGPNX-IBGZPJMESA-N 2 1 340.556 1.445 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000246406812 442779310 /nfs/dbraw/zinc/77/93/10/442779310.db2.gz LRTPGLQHPLYTRO-NVXWUHKLSA-N 2 1 339.528 1.040 10 0 EDAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247083544 442834841 /nfs/dbraw/zinc/83/48/41/442834841.db2.gz JGXBXBMZKIKTPF-GVDBMIGSSA-N 2 1 340.512 1.371 10 0 EDAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000247083544 442834847 /nfs/dbraw/zinc/83/48/47/442834847.db2.gz JGXBXBMZKIKTPF-GVDBMIGSSA-N 2 1 340.512 1.371 10 0 EDAEMP COCc1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248475573 442896027 /nfs/dbraw/zinc/89/60/27/442896027.db2.gz XUNLBWKICCMBQE-QWHCGFSZSA-N 2 1 326.441 1.302 10 0 EDAEMP COCc1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248475573 442896028 /nfs/dbraw/zinc/89/60/28/442896028.db2.gz XUNLBWKICCMBQE-QWHCGFSZSA-N 2 1 326.441 1.302 10 0 EDAEMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000190907747 443207526 /nfs/dbraw/zinc/20/75/26/443207526.db2.gz JMTBBRDFJCIZRV-LRYGQEGESA-N 2 1 338.492 1.889 10 0 EDAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000173749057 491004462 /nfs/dbraw/zinc/00/44/62/491004462.db2.gz AEOGZMGYNDILIL-LJQANCHMSA-N 2 1 342.487 1.749 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170830998 282197055 /nfs/dbraw/zinc/19/70/55/282197055.db2.gz RQRGUHABMQPFSZ-QZTJIDSGSA-N 2 1 330.476 1.997 10 0 EDAEMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)CCCC1 ZINC000067563060 215163417 /nfs/dbraw/zinc/16/34/17/215163417.db2.gz VURPUDILPBDREX-AWEZNQCLSA-N 2 1 341.459 1.773 10 0 EDAEMP [NH3+]C1(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)CCCC1 ZINC000067563060 215163420 /nfs/dbraw/zinc/16/34/20/215163420.db2.gz VURPUDILPBDREX-AWEZNQCLSA-N 2 1 341.459 1.773 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000186123668 285235241 /nfs/dbraw/zinc/23/52/41/285235241.db2.gz YAYUGKPFMHTKQW-DLBZAZTESA-N 2 1 339.528 1.138 10 0 EDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186123668 285235242 /nfs/dbraw/zinc/23/52/42/285235242.db2.gz YAYUGKPFMHTKQW-DLBZAZTESA-N 2 1 339.528 1.138 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186123668 285235243 /nfs/dbraw/zinc/23/52/43/285235243.db2.gz YAYUGKPFMHTKQW-DLBZAZTESA-N 2 1 339.528 1.138 10 0 EDAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117038813 221027051 /nfs/dbraw/zinc/02/70/51/221027051.db2.gz RKUXHCZGHAOCIX-YYIAUSFCSA-N 2 1 340.512 1.325 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000117472148 221066467 /nfs/dbraw/zinc/06/64/67/221066467.db2.gz CQUDSBIDNXFTEC-KRWDZBQOSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000117472148 221066471 /nfs/dbraw/zinc/06/64/71/221066471.db2.gz CQUDSBIDNXFTEC-KRWDZBQOSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C ZINC000119094987 221243561 /nfs/dbraw/zinc/24/35/61/221243561.db2.gz OMTRLRRJYSLWMZ-KLAILNCOSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C ZINC000119094987 221243564 /nfs/dbraw/zinc/24/35/64/221243564.db2.gz OMTRLRRJYSLWMZ-KLAILNCOSA-N 2 1 340.512 1.469 10 0 EDAEMP CS[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1[NH+]1CCCC1 ZINC000333068253 274182829 /nfs/dbraw/zinc/18/28/29/274182829.db2.gz CBWFDAQRLDLGQN-HUUCEWRRSA-N 2 1 344.488 1.987 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC(C)CC2)CC1 ZINC000105862225 278395043 /nfs/dbraw/zinc/39/50/43/278395043.db2.gz SNNCUXXVNYSSNR-MRXNPFEDSA-N 2 1 325.497 1.270 10 0 EDAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176437252 279263476 /nfs/dbraw/zinc/26/34/76/279263476.db2.gz LVCRMFFFJMDREU-NVXWUHKLSA-N 2 1 325.497 1.412 10 0 EDAEMP Cc1ccccc1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862137 441292911 /nfs/dbraw/zinc/29/29/11/441292911.db2.gz CXAQKVWITLNOLR-MRXNPFEDSA-N 2 1 333.476 1.958 10 0 EDAEMP CC(C)[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000113586793 441615710 /nfs/dbraw/zinc/61/57/10/441615710.db2.gz ZCZWVCCROIHEPM-ZACQAIPSSA-N 2 1 338.496 1.221 10 0 EDAEMP CC(C)[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000113586793 441615713 /nfs/dbraw/zinc/61/57/13/441615713.db2.gz ZCZWVCCROIHEPM-ZACQAIPSSA-N 2 1 338.496 1.221 10 0 EDAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000116788785 441845328 /nfs/dbraw/zinc/84/53/28/441845328.db2.gz CLOGRYHHWLLDNM-ZWKOTPCHSA-N 2 1 331.460 1.440 10 0 EDAEMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCOCC2 ZINC000186278377 442502794 /nfs/dbraw/zinc/50/27/94/442502794.db2.gz CMIWUEOFFYJHGJ-IRXDYDNUSA-N 2 1 326.481 1.661 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000181778906 442715959 /nfs/dbraw/zinc/71/59/59/442715959.db2.gz HUVWJAWCAKDNTP-JKSUJKDBSA-N 2 1 342.528 1.451 10 0 EDAEMP C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000248566049 442900898 /nfs/dbraw/zinc/90/08/98/442900898.db2.gz BRMFZFOLHTXNOT-ZACQAIPSSA-N 2 1 340.512 1.205 10 0 EDAEMP COCc1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000248475572 442895691 /nfs/dbraw/zinc/89/56/91/442895691.db2.gz XUNLBWKICCMBQE-CHWSQXEVSA-N 2 1 326.441 1.302 10 0 EDAEMP COCc1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000248475572 442895696 /nfs/dbraw/zinc/89/56/96/442895696.db2.gz XUNLBWKICCMBQE-CHWSQXEVSA-N 2 1 326.441 1.302 10 0 EDAEMP CCCCOC[C@H](O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195173768 442993637 /nfs/dbraw/zinc/99/36/37/442993637.db2.gz LETXFBXISAUSKC-CEXWTWQISA-N 2 1 341.540 1.654 10 0 EDAEMP CCCCOC[C@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195173768 442993640 /nfs/dbraw/zinc/99/36/40/442993640.db2.gz LETXFBXISAUSKC-CEXWTWQISA-N 2 1 341.540 1.654 10 0 EDAEMP CCCCOC[C@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000195173768 442993642 /nfs/dbraw/zinc/99/36/42/442993642.db2.gz LETXFBXISAUSKC-CEXWTWQISA-N 2 1 341.540 1.654 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000184746308 443070720 /nfs/dbraw/zinc/07/07/20/443070720.db2.gz DRJRUZIOLZOMTH-QGZVFWFLSA-N 2 1 340.512 1.207 10 0 EDAEMP C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568499304 321294240 /nfs/dbraw/zinc/29/42/40/321294240.db2.gz FYJBEFJFNRFGQC-QUCCMNQESA-N 2 1 330.520 1.782 10 0 EDAEMP CC1(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000637992193 452234907 /nfs/dbraw/zinc/23/49/07/452234907.db2.gz HURPBBFYMIRRSA-UHFFFAOYSA-N 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CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175836297 283169649 /nfs/dbraw/zinc/16/96/49/283169649.db2.gz NLSSXKPIRFYONT-HZPDHXFCSA-N 2 1 326.485 1.080 10 0 EDAEMP Cc1ccc(NCCCNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)nc1 ZINC000072421651 216210368 /nfs/dbraw/zinc/21/03/68/216210368.db2.gz POHCWZXZSRHQSA-INIZCTEOSA-N 2 1 345.491 1.382 10 0 EDAEMP Cc1ccc(NCCCNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)[nH+]c1 ZINC000072421651 216210371 /nfs/dbraw/zinc/21/03/71/216210371.db2.gz POHCWZXZSRHQSA-INIZCTEOSA-N 3 1 345.491 1.382 10 0 EDAEMP Cc1ccc(NCCCNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)[nH+]c1 ZINC000072421651 216210375 /nfs/dbraw/zinc/21/03/75/216210375.db2.gz POHCWZXZSRHQSA-INIZCTEOSA-N 3 1 345.491 1.382 10 0 EDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000247038267 139132736 /nfs/dbraw/zinc/13/27/36/139132736.db2.gz HZDBURIJQLIGSW-DOTOQJQBSA-N 2 1 339.528 1.040 10 0 EDAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000247038267 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EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000154577126 224274020 /nfs/dbraw/zinc/27/40/20/224274020.db2.gz YETMMFIXSMIAFT-GXTWGEPZSA-N 2 1 335.452 1.669 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000154577126 224274022 /nfs/dbraw/zinc/27/40/22/224274022.db2.gz YETMMFIXSMIAFT-GXTWGEPZSA-N 2 1 335.452 1.669 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000119095085 221242954 /nfs/dbraw/zinc/24/29/54/221242954.db2.gz OMTRLRRJYSLWMZ-GTPINHCMSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000119095085 221242957 /nfs/dbraw/zinc/24/29/57/221242957.db2.gz OMTRLRRJYSLWMZ-GTPINHCMSA-N 2 1 340.512 1.469 10 0 EDAEMP [NH3+][C@H](Cc1ccc(Br)cn1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000167904297 226201602 /nfs/dbraw/zinc/20/16/02/226201602.db2.gz JKJMXFWFCOPNNN-MGPQQGTHSA-N 2 1 326.238 1.577 10 0 EDAEMP [NH3+][C@H](Cc1ccc(Br)cn1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000167904297 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CCOC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915736 441315750 /nfs/dbraw/zinc/31/57/50/441315750.db2.gz IAVAUJJMYJEMOS-GOSISDBHSA-N 2 1 334.460 1.927 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000140430395 441838567 /nfs/dbraw/zinc/83/85/67/441838567.db2.gz QOZIAYSOALFRDZ-APWZRJJASA-N 2 1 337.508 1.602 10 0 EDAEMP C[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175756906 442117423 /nfs/dbraw/zinc/11/74/23/442117423.db2.gz XUVLTQBVTJOKCS-RDJZCZTQSA-N 2 1 338.496 1.080 10 0 EDAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000176332701 442210722 /nfs/dbraw/zinc/21/07/22/442210722.db2.gz OXPZMIYCGFQWBU-QZTJIDSGSA-N 2 1 349.450 1.579 10 0 EDAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000176332701 442210725 /nfs/dbraw/zinc/21/07/25/442210725.db2.gz OXPZMIYCGFQWBU-QZTJIDSGSA-N 2 1 349.450 1.579 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)C[C@H]1C ZINC000172322909 442444164 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441847594 /nfs/dbraw/zinc/84/75/94/441847594.db2.gz PTCKYWYZEHDFFE-RBUKOAKNSA-N 2 1 345.487 1.688 10 0 EDAEMP CC[NH+](CC)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175614064 442093496 /nfs/dbraw/zinc/09/34/96/442093496.db2.gz OIFVZWFCPPSRLD-HOTGVXAUSA-N 2 1 326.485 1.080 10 0 EDAEMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121150118 442183399 /nfs/dbraw/zinc/18/33/99/442183399.db2.gz AIPJGASRRRHIJT-CQSZACIVSA-N 2 1 338.448 1.981 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000152286644 442193286 /nfs/dbraw/zinc/19/32/86/442193286.db2.gz KKHVQCACBCJIRP-GOSISDBHSA-N 2 1 346.475 1.524 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000152286644 442193289 /nfs/dbraw/zinc/19/32/89/442193289.db2.gz KKHVQCACBCJIRP-GOSISDBHSA-N 2 1 346.475 1.524 10 0 EDAEMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000194457385 442899459 /nfs/dbraw/zinc/89/94/59/442899459.db2.gz ZSENREKVWRFWEZ-RBUKOAKNSA-N 2 1 342.487 1.998 10 0 EDAEMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194457385 442899463 /nfs/dbraw/zinc/89/94/63/442899463.db2.gz ZSENREKVWRFWEZ-RBUKOAKNSA-N 2 1 342.487 1.998 10 0 EDAEMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000194457385 442899465 /nfs/dbraw/zinc/89/94/65/442899465.db2.gz ZSENREKVWRFWEZ-RBUKOAKNSA-N 2 1 342.487 1.998 10 0 EDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917469 442968925 /nfs/dbraw/zinc/96/89/25/442968925.db2.gz LTUHZZKLJKQEAQ-OWCLPIDISA-N 2 1 326.485 1.221 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917469 442968934 /nfs/dbraw/zinc/96/89/34/442968934.db2.gz LTUHZZKLJKQEAQ-OWCLPIDISA-N 2 1 326.485 1.221 10 0 EDAEMP CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917469 442968938 /nfs/dbraw/zinc/96/89/38/442968938.db2.gz LTUHZZKLJKQEAQ-OWCLPIDISA-N 2 1 326.485 1.221 10 0 EDAEMP CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917469 442968943 /nfs/dbraw/zinc/96/89/43/442968943.db2.gz LTUHZZKLJKQEAQ-OWCLPIDISA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000184746293 443070731 /nfs/dbraw/zinc/07/07/31/443070731.db2.gz DRJRUZIOLZOMTH-KRWDZBQOSA-N 2 1 340.512 1.207 10 0 EDAEMP Cc1cnn(C[C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)c1 ZINC000191486578 443301295 /nfs/dbraw/zinc/30/12/95/443301295.db2.gz UIFUXUYQLLQKKI-LJQANCHMSA-N 2 1 349.523 1.308 10 0 EDAEMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000397983677 447554326 /nfs/dbraw/zinc/55/43/26/447554326.db2.gz NNZQDJUONYHRAL-SJLPKXTDSA-N 2 1 344.503 1.449 10 0 EDAEMP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653104892 453286087 /nfs/dbraw/zinc/28/60/87/453286087.db2.gz ZWBHIAHDNRRERV-HUUCEWRRSA-N 2 1 341.377 1.729 10 0 EDAEMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F 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JPPVLUZHOMUCGJ-IAGOWNOFSA-N 2 1 340.512 1.471 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000117477877 221069189 /nfs/dbraw/zinc/06/91/89/221069189.db2.gz WNRULQUJOXNCGF-QGZVFWFLSA-N 2 1 340.512 1.471 10 0 EDAEMP C(=C/CN1CC[N@H+]2CCCC[C@@H]2C1)\CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000252648679 533350755 /nfs/dbraw/zinc/35/07/55/533350755.db2.gz AMJUNWGTNDECMS-BGEOSOQGSA-N 2 1 332.536 1.883 10 0 EDAEMP C[NH+](C)[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccco1 ZINC000192797278 272986561 /nfs/dbraw/zinc/98/65/61/272986561.db2.gz SPYAROPOTDYQRV-LSDHHAIUSA-N 2 1 338.452 1.028 10 0 EDAEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000151331720 442044817 /nfs/dbraw/zinc/04/48/17/442044817.db2.gz QPNXYVMJAQLZBD-PBHICJAKSA-N 2 1 330.436 1.160 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000175669145 442102419 /nfs/dbraw/zinc/10/24/19/442102419.db2.gz HRANLXPPVRHWML-INIZCTEOSA-N 2 1 340.512 1.613 10 0 EDAEMP 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10 0 EDAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCCC[N@H+](C)CCOC ZINC000173986729 529304439 /nfs/dbraw/zinc/30/44/39/529304439.db2.gz NVVXPTCNKOZDQC-JKSUJKDBSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCCC[N@@H+](C)CCOC ZINC000173986729 529304441 /nfs/dbraw/zinc/30/44/41/529304441.db2.gz NVVXPTCNKOZDQC-JKSUJKDBSA-N 2 1 326.485 1.223 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896844812 591630853 /nfs/dbraw/zinc/63/08/53/591630853.db2.gz QJOFMHZGCURJSH-KRWDZBQOSA-N 2 1 332.448 1.293 10 0 EDAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000153285950 695606392 /nfs/dbraw/zinc/60/63/92/695606392.db2.gz ZMRAVCIKBNHOEP-STQMWFEESA-N 2 1 337.386 1.227 10 0 EDAEMP C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCCC[NH2+]1 ZINC000237594069 139055064 /nfs/dbraw/zinc/05/50/64/139055064.db2.gz AVLSJVROGMLUTD-IBGZPJMESA-N 2 1 331.460 1.667 10 0 EDAEMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246898280 139126064 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332.448 1.107 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)[nH+]1 ZINC000247449528 139148908 /nfs/dbraw/zinc/14/89/08/139148908.db2.gz YUYSVBVNYPMHTA-JKSUJKDBSA-N 2 1 332.448 1.107 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)CN3CCCC3=O)C2)[nH+]1 ZINC000247449528 139148909 /nfs/dbraw/zinc/14/89/09/139148909.db2.gz YUYSVBVNYPMHTA-JKSUJKDBSA-N 2 1 332.448 1.107 10 0 EDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000248601729 139168508 /nfs/dbraw/zinc/16/85/08/139168508.db2.gz JEAXZZYHPOGQNI-CVEARBPZSA-N 2 1 348.491 1.345 10 0 EDAEMP C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[N@H+]1CCCC[C@@H]1C ZINC000262365904 139273640 /nfs/dbraw/zinc/27/36/40/139273640.db2.gz VQSSXYGZVCFMCA-DIECFANBSA-N 2 1 333.480 1.102 10 0 EDAEMP C[NH2+][C@H](Cc1cncc(Br)c1)[C@H]1C[N@H+](C)CCCN1C ZINC000168004026 533011879 /nfs/dbraw/zinc/01/18/79/533011879.db2.gz WVVHNANLJPDGGL-HUUCEWRRSA-N 2 1 341.297 1.611 10 0 EDAEMP C[NH2+][C@H](Cc1cncc(Br)c1)[C@H]1C[N@@H+](C)CCCN1C ZINC000168004026 533011881 /nfs/dbraw/zinc/01/18/81/533011881.db2.gz WVVHNANLJPDGGL-HUUCEWRRSA-N 2 1 341.297 1.611 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000117279459 221041623 /nfs/dbraw/zinc/04/16/23/221041623.db2.gz MREJANHLUWKNIK-MRXNPFEDSA-N 2 1 333.476 1.931 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000117279459 221041626 /nfs/dbraw/zinc/04/16/26/221041626.db2.gz MREJANHLUWKNIK-MRXNPFEDSA-N 2 1 333.476 1.931 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C[C@H]1C ZINC000117480542 221069739 /nfs/dbraw/zinc/06/97/39/221069739.db2.gz LFGKPDNOJHUAOE-CVEARBPZSA-N 2 1 328.501 1.325 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C[C@H]1C ZINC000117480542 221069742 /nfs/dbraw/zinc/06/97/42/221069742.db2.gz LFGKPDNOJHUAOE-CVEARBPZSA-N 2 1 328.501 1.325 10 0 EDAEMP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000164427891 226072743 /nfs/dbraw/zinc/07/27/43/226072743.db2.gz SHPCVSLVDXADRF-NXEZZACHSA-N 2 1 327.226 1.293 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000105862030 441293247 /nfs/dbraw/zinc/29/32/47/441293247.db2.gz YWLQJCMOUMGRHG-IRXDYDNUSA-N 2 1 347.503 1.716 10 0 EDAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111684390 441539757 /nfs/dbraw/zinc/53/97/57/441539757.db2.gz UQUNFKSAUSWHRX-KRWDZBQOSA-N 2 1 325.497 1.414 10 0 EDAEMP CCN(CC(=O)N1CCCN(Cc2cnn(CC)c2)CC1)C1CC1 ZINC000152273473 442191634 /nfs/dbraw/zinc/19/16/34/442191634.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 2 1 333.480 1.422 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000176451454 442223699 /nfs/dbraw/zinc/22/36/99/442223699.db2.gz CRPKGHYUPNKZTO-VQIMIIECSA-N 2 1 347.503 1.841 10 0 EDAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+]1CCc2sccc2C1 ZINC000170831075 442270877 /nfs/dbraw/zinc/27/08/77/442270877.db2.gz IFCWOEZOFISLQD-HIFRSBDPSA-N 2 1 336.505 1.840 10 0 EDAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+]1CCc2sccc2C1 ZINC000170831075 442270880 /nfs/dbraw/zinc/27/08/80/442270880.db2.gz IFCWOEZOFISLQD-HIFRSBDPSA-N 2 1 336.505 1.840 10 0 EDAEMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843480 442273502 /nfs/dbraw/zinc/27/35/02/442273502.db2.gz VRXYQHPEHBKDCE-HNNXBMFYSA-N 2 1 344.459 1.513 10 0 EDAEMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843480 442273505 /nfs/dbraw/zinc/27/35/05/442273505.db2.gz VRXYQHPEHBKDCE-HNNXBMFYSA-N 2 1 344.459 1.513 10 0 EDAEMP CCCCCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588751 442360059 /nfs/dbraw/zinc/36/00/59/442360059.db2.gz DCDKXERBBODUGB-CVEARBPZSA-N 2 1 327.513 1.706 10 0 EDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000191554765 442463008 /nfs/dbraw/zinc/46/30/08/442463008.db2.gz LRTPFJDXYQSITJ-IBGZPJMESA-N 2 1 332.492 1.951 10 0 EDAEMP CCO[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C12CCOCC2 ZINC000186322595 442511518 /nfs/dbraw/zinc/51/15/18/442511518.db2.gz CCSHJVIXZDDOJU-MSOLQXFVSA-N 2 1 339.524 1.578 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000246990740 442826201 /nfs/dbraw/zinc/82/62/01/442826201.db2.gz KEDHZXSNVRZTPB-ARFHVFGLSA-N 2 1 326.485 1.221 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000246990740 442826203 /nfs/dbraw/zinc/82/62/03/442826203.db2.gz KEDHZXSNVRZTPB-ARFHVFGLSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000248460619 442894574 /nfs/dbraw/zinc/89/45/74/442894574.db2.gz SVLAMPJIUJOURW-BRWVUGGUSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000248460619 442894581 /nfs/dbraw/zinc/89/45/81/442894581.db2.gz SVLAMPJIUJOURW-BRWVUGGUSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000248460619 442894583 /nfs/dbraw/zinc/89/45/83/442894583.db2.gz SVLAMPJIUJOURW-BRWVUGGUSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246177140 443276164 /nfs/dbraw/zinc/27/61/64/443276164.db2.gz SSIADKBMOXEAQQ-OWCLPIDISA-N 2 1 326.485 1.079 10 0 EDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246177140 443276166 /nfs/dbraw/zinc/27/61/66/443276166.db2.gz SSIADKBMOXEAQQ-OWCLPIDISA-N 2 1 326.485 1.079 10 0 EDAEMP C[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000396417651 447542403 /nfs/dbraw/zinc/54/24/03/447542403.db2.gz MQVFLYXUUZGNAN-MRXNPFEDSA-N 2 1 331.460 1.475 10 0 EDAEMP C[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000396417651 447542408 /nfs/dbraw/zinc/54/24/08/447542408.db2.gz MQVFLYXUUZGNAN-MRXNPFEDSA-N 2 1 331.460 1.475 10 0 EDAEMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C2 ZINC000888097997 591027457 /nfs/dbraw/zinc/02/74/57/591027457.db2.gz WVLPSSIAKWUSDE-KONPQCLYSA-N 2 1 335.496 1.055 10 0 EDAEMP COCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097461 591028104 /nfs/dbraw/zinc/02/81/04/591028104.db2.gz JFNQPYNKHKWNEE-TVFCKZIOSA-N 2 1 336.480 1.099 10 0 EDAEMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccnn1CC1CC1)C2 ZINC000888097149 591028389 /nfs/dbraw/zinc/02/83/89/591028389.db2.gz CKDMXGDPBILQJD-MKXGPGLRSA-N 2 1 332.492 1.862 10 0 EDAEMP CC[NH2+][C@@H](CC[NH+](CCO)CCO)c1cccc(Br)c1 ZINC000053940524 214206770 /nfs/dbraw/zinc/20/67/70/214206770.db2.gz FGAWCLWLDQTONC-HNNXBMFYSA-N 2 1 345.281 1.776 10 0 EDAEMP CN([C@@H](C[NH3+])c1cncc(Br)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000166131949 530032641 /nfs/dbraw/zinc/03/26/41/530032641.db2.gz MXJRBAFIJCOVEJ-KGLIPLIRSA-N 2 1 327.270 1.870 10 0 EDAEMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C1CC1 ZINC000115821829 138311425 /nfs/dbraw/zinc/31/14/25/138311425.db2.gz CXGNKXRCQSJODV-OAHLLOKOSA-N 2 1 348.495 1.120 10 0 EDAEMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C1CC1 ZINC000115821829 138311426 /nfs/dbraw/zinc/31/14/26/138311426.db2.gz CXGNKXRCQSJODV-OAHLLOKOSA-N 2 1 348.495 1.120 10 0 EDAEMP C[C@H](CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@H+](C)C1CC1 ZINC000115821829 138311427 /nfs/dbraw/zinc/31/14/27/138311427.db2.gz CXGNKXRCQSJODV-OAHLLOKOSA-N 2 1 348.495 1.120 10 0 EDAEMP C[C@H](CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+](C)C1CC1 ZINC000115821829 138311428 /nfs/dbraw/zinc/31/14/28/138311428.db2.gz CXGNKXRCQSJODV-OAHLLOKOSA-N 2 1 348.495 1.120 10 0 EDAEMP C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000246343701 139104771 /nfs/dbraw/zinc/10/47/71/139104771.db2.gz ONIIHEWOAZBFLL-OAGGEKHMSA-N 2 1 340.512 1.325 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000247251606 139142416 /nfs/dbraw/zinc/14/24/16/139142416.db2.gz UCDPMKUAGSDNQU-ZACQAIPSSA-N 2 1 339.524 1.516 10 0 EDAEMP C[NH+](C)[C@H](CNC(=O)CN1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000249281439 139190274 /nfs/dbraw/zinc/19/02/74/139190274.db2.gz GOAXNFZEOCGXBI-RBUKOAKNSA-N 2 1 344.503 1.576 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC000117477906 221068098 /nfs/dbraw/zinc/06/80/98/221068098.db2.gz MUNWSDZIGDITGL-IRXDYDNUSA-N 2 1 340.512 1.471 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC000117477906 221068099 /nfs/dbraw/zinc/06/80/99/221068099.db2.gz MUNWSDZIGDITGL-IRXDYDNUSA-N 2 1 340.512 1.471 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC000117477906 221068100 /nfs/dbraw/zinc/06/81/00/221068100.db2.gz MUNWSDZIGDITGL-IRXDYDNUSA-N 2 1 340.512 1.471 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000247126926 278395849 /nfs/dbraw/zinc/39/58/49/278395849.db2.gz KBAFHPSBFUCISN-IAGOWNOFSA-N 2 1 339.524 1.802 10 0 EDAEMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C[C@@H](C)O ZINC000174624343 280385703 /nfs/dbraw/zinc/38/57/03/280385703.db2.gz AXVOVZKXEHYKRV-CRAIPNDOSA-N 2 1 333.476 1.665 10 0 EDAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104791492 441209498 /nfs/dbraw/zinc/20/94/98/441209498.db2.gz MHZYMYMTYBBYNA-OWCLPIDISA-N 2 1 340.512 1.373 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCC(C)CC2)CC1 ZINC000105862227 441293153 /nfs/dbraw/zinc/29/31/53/441293153.db2.gz SNNCUXXVNYSSNR-INIZCTEOSA-N 2 1 325.497 1.270 10 0 EDAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792653 441847631 /nfs/dbraw/zinc/84/76/31/441847631.db2.gz PTCKYWYZEHDFFE-OALUTQOASA-N 2 1 345.487 1.688 10 0 EDAEMP COCCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1C ZINC000152378556 442204961 /nfs/dbraw/zinc/20/49/61/442204961.db2.gz OPMSYBGCJLBFIK-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C[C@@H]1C ZINC000152378556 442204963 /nfs/dbraw/zinc/20/49/63/442204963.db2.gz OPMSYBGCJLBFIK-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C[C@@H]1C ZINC000152378556 442204967 /nfs/dbraw/zinc/20/49/67/442204967.db2.gz OPMSYBGCJLBFIK-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1C ZINC000152378556 442204970 /nfs/dbraw/zinc/20/49/70/442204970.db2.gz OPMSYBGCJLBFIK-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1C ZINC000152378556 442204973 /nfs/dbraw/zinc/20/49/73/442204973.db2.gz OPMSYBGCJLBFIK-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP O=C(Nc1ccccc1CN1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171890992 442387490 /nfs/dbraw/zinc/38/74/90/442387490.db2.gz ZQRXRKLLJDFUND-KRWDZBQOSA-N 2 1 344.459 1.831 10 0 EDAEMP CC[C@H](O)CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000182039015 442730382 /nfs/dbraw/zinc/73/03/82/442730382.db2.gz UEFSYEBWDJXJPO-SJORKVTESA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000182039015 442730384 /nfs/dbraw/zinc/73/03/84/442730384.db2.gz UEFSYEBWDJXJPO-SJORKVTESA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000182039015 442730386 /nfs/dbraw/zinc/73/03/86/442730386.db2.gz UEFSYEBWDJXJPO-SJORKVTESA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247037385 442831288 /nfs/dbraw/zinc/83/12/88/442831288.db2.gz DMQKDWDWGVKUCU-QZTJIDSGSA-N 2 1 333.476 1.628 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000181943420 318493292 /nfs/dbraw/zinc/49/32/92/318493292.db2.gz ZSMUIILWSPAWPY-HUUCEWRRSA-N 2 1 328.501 1.061 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000185813492 443262740 /nfs/dbraw/zinc/26/27/40/443262740.db2.gz YJCPWEJPHXENHB-IAGOWNOFSA-N 2 1 341.544 1.288 10 0 EDAEMP CC(C)[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000638512625 451552619 /nfs/dbraw/zinc/55/26/19/451552619.db2.gz HICZQNZRCFFSGN-SFHVURJKSA-N 2 1 345.487 1.863 10 0 EDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000638834328 451705292 /nfs/dbraw/zinc/70/52/92/451705292.db2.gz FHRBNVAPJOAKOG-RDJZCZTQSA-N 2 1 331.460 1.379 10 0 EDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181060623 534026357 /nfs/dbraw/zinc/02/63/57/534026357.db2.gz LRDZUOVBAINLNW-SJLPKXTDSA-N 2 1 348.491 1.479 10 0 EDAEMP C[NH2+]Cc1cc(Br)cnc1N1CC[NH+](C2CC2)CC1 ZINC000051520934 536468876 /nfs/dbraw/zinc/46/88/76/536468876.db2.gz HJAFPPLSLFRSLW-UHFFFAOYSA-N 2 1 325.254 1.848 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@H]1CC ZINC000246164423 535593439 /nfs/dbraw/zinc/59/34/39/535593439.db2.gz CXZWWGPVOSUWKC-LSDHHAIUSA-N 2 1 329.510 1.041 10 0 EDAEMP C[NH2+][C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000262338588 536336760 /nfs/dbraw/zinc/33/67/60/536336760.db2.gz HRCOSCHHLMBWHH-QZTJIDSGSA-N 2 1 337.427 1.650 10 0 EDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000158941151 205383532 /nfs/dbraw/zinc/38/35/32/205383532.db2.gz KVYMMIVOSLLROB-RDJZCZTQSA-N 2 1 345.491 1.292 10 0 EDAEMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237991289 139065869 /nfs/dbraw/zinc/06/58/69/139065869.db2.gz RKEVYWCYYAJAAX-ROUUACIJSA-N 2 1 330.476 1.048 10 0 EDAEMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000238028806 139067019 /nfs/dbraw/zinc/06/70/19/139067019.db2.gz RKEVYWCYYAJAAX-ZWKOTPCHSA-N 2 1 330.476 1.048 10 0 EDAEMP CC[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CC[N@H+]1C[C@H](C)O ZINC000248506340 139166266 /nfs/dbraw/zinc/16/62/66/139166266.db2.gz WSELYDHDWLKECE-HOCLYGCPSA-N 2 1 345.447 1.321 10 0 EDAEMP CC[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCN1C[C@H](C)O ZINC000248506340 139166267 /nfs/dbraw/zinc/16/62/67/139166267.db2.gz WSELYDHDWLKECE-HOCLYGCPSA-N 2 1 345.447 1.321 10 0 EDAEMP CC1(C)C[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000261613781 139211029 /nfs/dbraw/zinc/21/10/29/139211029.db2.gz CKZUMRKMPVVDBR-HNNXBMFYSA-N 2 1 332.448 1.462 10 0 EDAEMP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262028079 139244998 /nfs/dbraw/zinc/24/49/98/139244998.db2.gz PEJAOGQWIDRQSM-KURKYZTESA-N 2 1 331.460 1.616 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC000117474265 221069141 /nfs/dbraw/zinc/06/91/41/221069141.db2.gz KVTNWWRSFNSWID-INIZCTEOSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC000117474265 221069143 /nfs/dbraw/zinc/06/91/43/221069143.db2.gz KVTNWWRSFNSWID-INIZCTEOSA-N 2 1 340.512 1.469 10 0 EDAEMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000247121321 279342999 /nfs/dbraw/zinc/34/29/99/279342999.db2.gz RSHUFUOQRWZGME-WBVHZDCISA-N 2 1 333.480 1.209 10 0 EDAEMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000247121321 279343003 /nfs/dbraw/zinc/34/30/03/279343003.db2.gz RSHUFUOQRWZGME-WBVHZDCISA-N 2 1 333.480 1.209 10 0 EDAEMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000333653299 295250141 /nfs/dbraw/zinc/25/01/41/295250141.db2.gz KEBLBPYXFVQDPO-IAGOWNOFSA-N 2 1 332.448 1.098 10 0 EDAEMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175775774 442120457 /nfs/dbraw/zinc/12/04/57/442120457.db2.gz PTVIJFDDTISDLL-GVDBMIGSSA-N 2 1 338.496 1.223 10 0 EDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175775774 442120461 /nfs/dbraw/zinc/12/04/61/442120461.db2.gz PTVIJFDDTISDLL-GVDBMIGSSA-N 2 1 338.496 1.223 10 0 EDAEMP CCC[N@H+](CC)CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175836280 442131683 /nfs/dbraw/zinc/13/16/83/442131683.db2.gz NLSSXKPIRFYONT-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP CCC[N@@H+](CC)CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175836280 442131685 /nfs/dbraw/zinc/13/16/85/442131685.db2.gz NLSSXKPIRFYONT-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000165341974 442208056 /nfs/dbraw/zinc/20/80/56/442208056.db2.gz OORYQONGLOMLMV-CVEARBPZSA-N 2 1 328.416 1.716 10 0 EDAEMP Cc1cc(N2CCC(NC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)nc(C)[nH+]1 ZINC000176894076 442269081 /nfs/dbraw/zinc/26/90/81/442269081.db2.gz CCALYLOFSKTWOX-INIZCTEOSA-N 2 1 346.479 1.408 10 0 EDAEMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828135 442269950 /nfs/dbraw/zinc/26/99/50/442269950.db2.gz ONTUNGFSMHNGJB-SJORKVTESA-N 2 1 340.512 1.469 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nn2c(nc(C)cc2=O)s1 ZINC000178328219 442424786 /nfs/dbraw/zinc/42/47/86/442424786.db2.gz XMDNIVJIMLXTCW-ZDUSSCGKSA-N 2 1 344.444 1.629 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nn2c(nc(C)cc2=O)s1 ZINC000178328219 442424790 /nfs/dbraw/zinc/42/47/90/442424790.db2.gz XMDNIVJIMLXTCW-ZDUSSCGKSA-N 2 1 344.444 1.629 10 0 EDAEMP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000172321802 442444226 /nfs/dbraw/zinc/44/42/26/442444226.db2.gz UBTMGRDOMPOTQA-KRWDZBQOSA-N 2 1 340.512 1.611 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000172328139 442444465 /nfs/dbraw/zinc/44/44/65/442444465.db2.gz TUOXNQOHZLJHNU-OAHLLOKOSA-N 2 1 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ZINC000246771838 442811813 /nfs/dbraw/zinc/81/18/13/442811813.db2.gz NXLSALWXVXTJRC-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000246771838 442811814 /nfs/dbraw/zinc/81/18/14/442811814.db2.gz NXLSALWXVXTJRC-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183222786 442906951 /nfs/dbraw/zinc/90/69/51/442906951.db2.gz NBNKVGYWZBHSAV-INIZCTEOSA-N 2 1 334.464 1.578 10 0 EDAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)C1(C)C ZINC000249063588 442949034 /nfs/dbraw/zinc/94/90/34/442949034.db2.gz HVDFHDYQIZJTQV-DAYGRLMNSA-N 2 1 341.496 1.088 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638856867 451711888 /nfs/dbraw/zinc/71/18/88/451711888.db2.gz VFPLVOYBWQZGKK-BPQIPLTHSA-N 2 1 331.460 1.107 10 0 EDAEMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1COCC[NH2+]1 ZINC000662918555 453603419 /nfs/dbraw/zinc/60/34/19/453603419.db2.gz 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CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000154073343 442320231 /nfs/dbraw/zinc/32/02/31/442320231.db2.gz NXLSALWXVXTJRC-SJORKVTESA-N 2 1 340.512 1.613 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249748618 443002964 /nfs/dbraw/zinc/00/29/64/443002964.db2.gz AZLZEXFZOFLWBM-QZTJIDSGSA-N 2 1 332.492 1.943 10 0 EDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](C[C@H](O)CC)CC2)CC1 ZINC000185006647 443116534 /nfs/dbraw/zinc/11/65/34/443116534.db2.gz CCTDEGUTNYHGFL-QGZVFWFLSA-N 2 1 340.512 1.207 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000389993659 447490281 /nfs/dbraw/zinc/49/02/81/447490281.db2.gz PNKUCVVWQFVOPF-SJLPKXTDSA-N 2 1 344.503 1.307 10 0 EDAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391027587 447509558 /nfs/dbraw/zinc/50/95/58/447509558.db2.gz UCRHCLOWYKOONJ-RBUKOAKNSA-N 2 1 345.487 1.783 10 0 EDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644154008 453086663 /nfs/dbraw/zinc/08/66/63/453086663.db2.gz LSCUFMCGJLXMKY-UKRRQHHQSA-N 2 1 325.403 1.868 10 0 EDAEMP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000671619719 486678238 /nfs/dbraw/zinc/67/82/38/486678238.db2.gz CSTYZRLQCBAPST-MAUKXSAKSA-N 2 1 335.496 1.603 10 0 EDAEMP C[NH2+][C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000262381667 536383076 /nfs/dbraw/zinc/38/30/76/536383076.db2.gz NAPABHBPXGQXFG-IRXDYDNUSA-N 2 1 329.448 1.408 10 0 EDAEMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)cs1 ZINC000109272405 138305936 /nfs/dbraw/zinc/30/59/36/138305936.db2.gz AVWPQYJNKWDQRN-INIZCTEOSA-N 2 1 336.505 1.826 10 0 EDAEMP C[NH2+]Cc1cc(Br)cnc1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191696 202341202 /nfs/dbraw/zinc/34/12/02/202341202.db2.gz OYWGTTHBYJSYOO-LLVKDONJSA-N 2 1 327.270 1.951 10 0 EDAEMP C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CC[NH+](CCO)CC1 ZINC000043091892 204211970 /nfs/dbraw/zinc/21/19/70/204211970.db2.gz SZNMVLGNZYWHHD-SWLSCSKDSA-N 2 1 342.281 1.447 10 0 EDAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CC[NH+](CCO)CC1 ZINC000043091889 204212249 /nfs/dbraw/zinc/21/22/49/204212249.db2.gz SZNMVLGNZYWHHD-DOMZBBRYSA-N 2 1 342.281 1.447 10 0 EDAEMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000195334446 139014753 /nfs/dbraw/zinc/01/47/53/139014753.db2.gz GXGRLMXEVGLYDA-LJQANCHMSA-N 2 1 342.487 1.354 10 0 EDAEMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000195334446 139014756 /nfs/dbraw/zinc/01/47/56/139014756.db2.gz GXGRLMXEVGLYDA-LJQANCHMSA-N 2 1 342.487 1.354 10 0 EDAEMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000195334446 139014757 /nfs/dbraw/zinc/01/47/57/139014757.db2.gz GXGRLMXEVGLYDA-LJQANCHMSA-N 2 1 342.487 1.354 10 0 EDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)C1 ZINC000245607176 139080782 /nfs/dbraw/zinc/08/07/82/139080782.db2.gz RLOFYICGEDSCBI-BBWFWOEESA-N 2 1 340.512 1.205 10 0 EDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)C1 ZINC000245607176 139080783 /nfs/dbraw/zinc/08/07/83/139080783.db2.gz RLOFYICGEDSCBI-BBWFWOEESA-N 2 1 340.512 1.205 10 0 EDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000252443871 139204430 /nfs/dbraw/zinc/20/44/30/139204430.db2.gz QHWWLFUDXMFLAQ-LPHOPBHVSA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000252443871 139204431 /nfs/dbraw/zinc/20/44/31/139204431.db2.gz QHWWLFUDXMFLAQ-LPHOPBHVSA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000252443871 139204432 /nfs/dbraw/zinc/20/44/32/139204432.db2.gz QHWWLFUDXMFLAQ-LPHOPBHVSA-N 2 1 342.487 1.923 10 0 EDAEMP C[NH+]1CCC([N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)CC1 ZINC000012130754 441127035 /nfs/dbraw/zinc/12/70/35/441127035.db2.gz WLYWWUOVBJDSSX-MJGOQNOKSA-N 2 1 342.487 1.989 10 0 EDAEMP C[NH+]1CCC([N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)CC1 ZINC000012130754 441127036 /nfs/dbraw/zinc/12/70/36/441127036.db2.gz WLYWWUOVBJDSSX-MJGOQNOKSA-N 2 1 342.487 1.989 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000114834390 441688194 /nfs/dbraw/zinc/68/81/94/441688194.db2.gz XXQMNLCFNQSTCK-ZWKOTPCHSA-N 2 1 330.476 1.997 10 0 EDAEMP CC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CCOC ZINC000173664974 441819873 /nfs/dbraw/zinc/81/98/73/441819873.db2.gz XELVXBGAGDDWLZ-SJORKVTESA-N 2 1 325.497 1.820 10 0 EDAEMP CC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CCOC ZINC000173664974 441819879 /nfs/dbraw/zinc/81/98/79/441819879.db2.gz XELVXBGAGDDWLZ-SJORKVTESA-N 2 1 325.497 1.820 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000171377498 442344638 /nfs/dbraw/zinc/34/46/38/442344638.db2.gz YMMGHNNRWIYXBI-RTBURBONSA-N 2 1 344.503 1.897 10 0 EDAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000178754421 442475555 /nfs/dbraw/zinc/47/55/55/442475555.db2.gz AXPHRKRJPFTHTO-AWEZNQCLSA-N 2 1 329.429 1.926 10 0 EDAEMP CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000182039033 442730630 /nfs/dbraw/zinc/73/06/30/442730630.db2.gz UEFSYEBWDJXJPO-IAGOWNOFSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000182039033 442730632 /nfs/dbraw/zinc/73/06/32/442730632.db2.gz UEFSYEBWDJXJPO-IAGOWNOFSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000182039033 442730634 /nfs/dbraw/zinc/73/06/34/442730634.db2.gz UEFSYEBWDJXJPO-IAGOWNOFSA-N 2 1 340.512 1.205 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC000182700351 442808933 /nfs/dbraw/zinc/80/89/33/442808933.db2.gz YCCXVZQBLLSJRF-IAGOWNOFSA-N 2 1 340.512 1.613 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC000182700351 442808938 /nfs/dbraw/zinc/80/89/38/442808938.db2.gz YCCXVZQBLLSJRF-IAGOWNOFSA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000248446659 442892274 /nfs/dbraw/zinc/89/22/74/442892274.db2.gz CRRGHVVRTVRGLQ-BPKGMFCQSA-N 2 1 325.497 1.551 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000248446659 442892280 /nfs/dbraw/zinc/89/22/80/442892280.db2.gz CRRGHVVRTVRGLQ-BPKGMFCQSA-N 2 1 325.497 1.551 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000248446659 442892284 /nfs/dbraw/zinc/89/22/84/442892284.db2.gz CRRGHVVRTVRGLQ-BPKGMFCQSA-N 2 1 325.497 1.551 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000248446659 442892287 /nfs/dbraw/zinc/89/22/87/442892287.db2.gz CRRGHVVRTVRGLQ-BPKGMFCQSA-N 2 1 325.497 1.551 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194902639 442966760 /nfs/dbraw/zinc/96/67/60/442966760.db2.gz WFGFYABULAXJBJ-IXDOHACOSA-N 2 1 342.528 1.713 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194902639 442966765 /nfs/dbraw/zinc/96/67/65/442966765.db2.gz WFGFYABULAXJBJ-IXDOHACOSA-N 2 1 342.528 1.713 10 0 EDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390912854 447506987 /nfs/dbraw/zinc/50/69/87/447506987.db2.gz YKDQIHQORYHVLO-KBAYOESNSA-N 2 1 331.460 1.249 10 0 EDAEMP [NH3+]C1(CC(=O)NC[C@@H]2CCC[C@H]2O)CC[NH+](Cc2ccccc2)CC1 ZINC000637966317 452211673 /nfs/dbraw/zinc/21/16/73/452211673.db2.gz XTJVQHVIKLERMR-ZWKOTPCHSA-N 2 1 345.487 1.647 10 0 EDAEMP C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643792737 452658773 /nfs/dbraw/zinc/65/87/73/452658773.db2.gz QCXLEGXURYZILY-SZMVWBNQSA-N 2 1 331.460 1.249 10 0 EDAEMP CC[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1CCOC ZINC000184235698 529267953 /nfs/dbraw/zinc/26/79/53/529267953.db2.gz YMXXQTCFMRQADN-INIZCTEOSA-N 2 1 325.497 1.855 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000247027734 535158578 /nfs/dbraw/zinc/15/85/78/535158578.db2.gz QOZIAYSOALFRDZ-QFBILLFUSA-N 2 1 337.508 1.602 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000247086862 536869117 /nfs/dbraw/zinc/86/91/17/536869117.db2.gz LTYWBDNLLUZYPJ-IRXDYDNUSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC000247086862 536869126 /nfs/dbraw/zinc/86/91/26/536869126.db2.gz LTYWBDNLLUZYPJ-IRXDYDNUSA-N 2 1 340.512 1.471 10 0 EDAEMP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000237871981 139062448 /nfs/dbraw/zinc/06/24/48/139062448.db2.gz QEQJXFKXFGNRRN-QZTJIDSGSA-N 2 1 331.460 1.653 10 0 EDAEMP C[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)ncn2)C[C@H]1[NH+]1CCOCC1 ZINC000246401857 139107051 /nfs/dbraw/zinc/10/70/51/139107051.db2.gz DKJKHUMBBIVBCY-BRWVUGGUSA-N 2 1 345.491 1.870 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000246574672 139113467 /nfs/dbraw/zinc/11/34/67/139113467.db2.gz VEXXWQZEQKVCHY-CGTJXYLNSA-N 2 1 333.476 1.892 10 0 EDAEMP C[N@H+]1CCC[C@@H]2CN(c3nc(NN)[nH+]cc3Br)CC[C@@H]21 ZINC000166917132 206535659 /nfs/dbraw/zinc/53/56/59/206535659.db2.gz MAPXJKXSEMEPOK-KOLCDFICSA-N 2 1 341.257 1.445 10 0 EDAEMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C(C)C ZINC000248639697 139169603 /nfs/dbraw/zinc/16/96/03/139169603.db2.gz RAJRIQSFDZHOJC-SJORKVTESA-N 2 1 342.528 1.592 10 0 EDAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177394712 207331235 /nfs/dbraw/zinc/33/12/35/207331235.db2.gz JPGWYJCEHFJAIW-QGZVFWFLSA-N 2 1 344.459 1.383 10 0 EDAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000177394712 207331241 /nfs/dbraw/zinc/33/12/41/207331241.db2.gz JPGWYJCEHFJAIW-QGZVFWFLSA-N 2 1 344.459 1.383 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000117482002 280355479 /nfs/dbraw/zinc/35/54/79/280355479.db2.gz LNTPMMZBGZLHES-IAGOWNOFSA-N 2 1 340.512 1.471 10 0 EDAEMP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000117038116 441863028 /nfs/dbraw/zinc/86/30/28/441863028.db2.gz GSGWSTODVLICOS-QGZVFWFLSA-N 2 1 334.464 1.090 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000173977814 441873181 /nfs/dbraw/zinc/87/31/81/441873181.db2.gz NEQZGDHRGMUYGS-QZTJIDSGSA-N 2 1 331.460 1.440 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000173977814 441873184 /nfs/dbraw/zinc/87/31/84/441873184.db2.gz NEQZGDHRGMUYGS-QZTJIDSGSA-N 2 1 331.460 1.440 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000175620305 442095024 /nfs/dbraw/zinc/09/50/24/442095024.db2.gz RINVYVBNGPMXIY-DOTOQJQBSA-N 2 1 338.496 1.221 10 0 EDAEMP CCC(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828127 442270421 /nfs/dbraw/zinc/27/04/21/442270421.db2.gz ONTUNGFSMHNGJB-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP C[N@@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000178199383 442414899 /nfs/dbraw/zinc/41/48/99/442414899.db2.gz BCGUDRBNAHSEBK-MSOLQXFVSA-N 2 1 331.460 1.252 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCCOCCC(C)C ZINC000178335505 442425226 /nfs/dbraw/zinc/42/52/26/442425226.db2.gz FGSNAUABNPEHCV-QGZVFWFLSA-N 2 1 336.480 1.835 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCCOCCC(C)C ZINC000178335505 442425227 /nfs/dbraw/zinc/42/52/27/442425227.db2.gz FGSNAUABNPEHCV-QGZVFWFLSA-N 2 1 336.480 1.835 10 0 EDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246553780 442792030 /nfs/dbraw/zinc/79/20/30/442792030.db2.gz WFISJQDXWHEQOS-OIISXLGYSA-N 2 1 325.497 1.625 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000182658550 318509617 /nfs/dbraw/zinc/50/96/17/318509617.db2.gz DAIZBJVBNRWSSI-SJORKVTESA-N 2 1 340.512 1.349 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917448 442968411 /nfs/dbraw/zinc/96/84/11/442968411.db2.gz LTUHZZKLJKQEAQ-XHSDSOJGSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917448 442968413 /nfs/dbraw/zinc/96/84/13/442968413.db2.gz LTUHZZKLJKQEAQ-XHSDSOJGSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917448 442968416 /nfs/dbraw/zinc/96/84/16/442968416.db2.gz LTUHZZKLJKQEAQ-XHSDSOJGSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194917448 442968419 /nfs/dbraw/zinc/96/84/19/442968419.db2.gz LTUHZZKLJKQEAQ-XHSDSOJGSA-N 2 1 326.485 1.221 10 0 EDAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1NC(C)=O ZINC000261976993 536897540 /nfs/dbraw/zinc/89/75/40/536897540.db2.gz RGPUGBZPJAKLIB-JFIYKMOQSA-N 2 1 347.459 1.900 10 0 EDAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000111231217 204344488 /nfs/dbraw/zinc/34/44/88/204344488.db2.gz YSNBUGWLQOQYNQ-VQTJNVASSA-N 2 1 331.504 1.996 10 0 EDAEMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246495599 139110770 /nfs/dbraw/zinc/11/07/70/139110770.db2.gz SYQZCYRHRIYVGT-IBGZPJMESA-N 2 1 342.487 1.924 10 0 EDAEMP O=C(NCC[NH+]1CCc2ccccc2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246495599 139110771 /nfs/dbraw/zinc/11/07/71/139110771.db2.gz SYQZCYRHRIYVGT-IBGZPJMESA-N 2 1 342.487 1.924 10 0 EDAEMP O=C(NCC[NH+]1CCc2ccccc2C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246495599 139110772 /nfs/dbraw/zinc/11/07/72/139110772.db2.gz SYQZCYRHRIYVGT-IBGZPJMESA-N 2 1 342.487 1.924 10 0 EDAEMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262499623 139282734 /nfs/dbraw/zinc/28/27/34/139282734.db2.gz KMRYSVCELXEMJU-MSOLQXFVSA-N 2 1 331.460 1.080 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000174237586 285229784 /nfs/dbraw/zinc/22/97/84/285229784.db2.gz IBIRNTKOXLJNKM-CVEARBPZSA-N 2 1 326.485 1.223 10 0 EDAEMP C1C[C@@H]2CO[C@H](c3noc([C@@H]4CCCN4C4CCOCC4)n3)CN2C1 ZINC000333504791 141327994 /nfs/dbraw/zinc/32/79/94/141327994.db2.gz WOWRKNQNWDOMMV-PMPSAXMXSA-N 2 1 348.447 1.921 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249361464 279301083 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MTEXGSCWSQNUDQ-CVEARBPZSA-N 2 1 326.485 1.223 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2nccs2)CC1 ZINC000105862455 441295049 /nfs/dbraw/zinc/29/50/49/441295049.db2.gz SIKSJQMSHFTBIH-LBPRGKRZSA-N 2 1 326.466 1.106 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2nccs2)CC1 ZINC000105862455 441295051 /nfs/dbraw/zinc/29/50/51/441295051.db2.gz SIKSJQMSHFTBIH-LBPRGKRZSA-N 2 1 326.466 1.106 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000173977853 441873718 /nfs/dbraw/zinc/87/37/18/441873718.db2.gz NEQZGDHRGMUYGS-ROUUACIJSA-N 2 1 331.460 1.440 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000173977853 441873721 /nfs/dbraw/zinc/87/37/21/441873721.db2.gz NEQZGDHRGMUYGS-ROUUACIJSA-N 2 1 331.460 1.440 10 0 EDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000152383839 442205949 /nfs/dbraw/zinc/20/59/49/442205949.db2.gz VAQCUIPPZYJOJE-IAGOWNOFSA-N 2 1 340.512 1.253 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1N1CCOCC1 ZINC000177233886 442317492 /nfs/dbraw/zinc/31/74/92/442317492.db2.gz AEHPKSFICZUICE-WBVHZDCISA-N 2 1 327.432 1.420 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000178303886 442423175 /nfs/dbraw/zinc/42/31/75/442423175.db2.gz IWQJWGVYPBLMGC-INIZCTEOSA-N 2 1 330.436 1.048 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000178303886 442423176 /nfs/dbraw/zinc/42/31/76/442423176.db2.gz IWQJWGVYPBLMGC-INIZCTEOSA-N 2 1 330.436 1.048 10 0 EDAEMP CC(C)N1CCC[C@@H]([N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000248334300 442887367 /nfs/dbraw/zinc/88/73/67/442887367.db2.gz GCDHZIODEQZHLL-DOTOQJQBSA-N 2 1 325.497 1.410 10 0 EDAEMP CC(C)(C)[C@H](O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638279319 451398053 /nfs/dbraw/zinc/39/80/53/451398053.db2.gz PJDHNYARQMMZCM-QGZVFWFLSA-N 2 1 347.503 1.893 10 0 EDAEMP COC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000638851596 451710396 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C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2sccc2C1 ZINC000247654448 139153478 /nfs/dbraw/zinc/15/34/78/139153478.db2.gz XOJCSNUUCRNBRX-HOCLYGCPSA-N 2 1 348.516 1.984 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2sccc2C1 ZINC000247654448 139153479 /nfs/dbraw/zinc/15/34/79/139153479.db2.gz XOJCSNUUCRNBRX-HOCLYGCPSA-N 2 1 348.516 1.984 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000247654448 139153480 /nfs/dbraw/zinc/15/34/80/139153480.db2.gz XOJCSNUUCRNBRX-HOCLYGCPSA-N 2 1 348.516 1.984 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000247654448 139153481 /nfs/dbraw/zinc/15/34/81/139153481.db2.gz XOJCSNUUCRNBRX-HOCLYGCPSA-N 2 1 348.516 1.984 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000117484292 221071011 /nfs/dbraw/zinc/07/10/11/221071011.db2.gz QZQNQCOMRLYSNH-QGZVFWFLSA-N 2 1 348.491 1.481 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000117484292 221071013 /nfs/dbraw/zinc/07/10/13/221071013.db2.gz QZQNQCOMRLYSNH-QGZVFWFLSA-N 2 1 348.491 1.481 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000117484292 221071015 /nfs/dbraw/zinc/07/10/15/221071015.db2.gz QZQNQCOMRLYSNH-QGZVFWFLSA-N 2 1 348.491 1.481 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000117484292 221071018 /nfs/dbraw/zinc/07/10/18/221071018.db2.gz QZQNQCOMRLYSNH-QGZVFWFLSA-N 2 1 348.491 1.481 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074854288 287274181 /nfs/dbraw/zinc/27/41/81/287274181.db2.gz SVSZEECZXCFJSF-QGZVFWFLSA-N 2 1 342.528 1.715 10 0 EDAEMP C[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000175694635 442107258 /nfs/dbraw/zinc/10/72/58/442107258.db2.gz OIEYSTBFWDBMNV-IXDOHACOSA-N 2 1 338.496 1.080 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000176064519 442169389 /nfs/dbraw/zinc/16/93/89/442169389.db2.gz SZEZTNDIKFRHOK-MRXNPFEDSA-N 2 1 346.475 1.596 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176898728 442269449 /nfs/dbraw/zinc/26/94/49/442269449.db2.gz PXTBGAOYADNUQY-KRWDZBQOSA-N 2 1 346.475 1.629 10 0 EDAEMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCOCC2 ZINC000186278362 442502871 /nfs/dbraw/zinc/50/28/71/442502871.db2.gz CMIWUEOFFYJHGJ-DLBZAZTESA-N 2 1 326.481 1.661 10 0 EDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000247516585 442860399 /nfs/dbraw/zinc/86/03/99/442860399.db2.gz YTWPXULYFRPQOR-NVXWUHKLSA-N 2 1 347.507 1.477 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000247516585 442860402 /nfs/dbraw/zinc/86/04/02/442860402.db2.gz YTWPXULYFRPQOR-NVXWUHKLSA-N 2 1 347.507 1.477 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184708230 443063611 /nfs/dbraw/zinc/06/36/11/443063611.db2.gz VAQMGWKOLQFTBU-NVXWUHKLSA-N 2 1 340.512 1.346 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000184785215 443075981 /nfs/dbraw/zinc/07/59/81/443075981.db2.gz KSMVMYZOMDJSLO-QGZVFWFLSA-N 2 1 340.512 1.205 10 0 EDAEMP CCOC(=O)C1CCC(O)(C[N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000191003720 443223587 /nfs/dbraw/zinc/22/35/87/443223587.db2.gz FRTHJLCGKKJUFG-UHFFFAOYSA-N 2 1 337.464 1.998 10 0 EDAEMP CCOC(=O)C1CCC(O)(C[N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000191003720 443223591 /nfs/dbraw/zinc/22/35/91/443223591.db2.gz FRTHJLCGKKJUFG-UHFFFAOYSA-N 2 1 337.464 1.998 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638107817 451274445 /nfs/dbraw/zinc/27/44/45/451274445.db2.gz HVBPWNHXIMNSDA-ROUUACIJSA-N 2 1 332.492 1.388 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638107817 451274450 /nfs/dbraw/zinc/27/44/50/451274450.db2.gz HVBPWNHXIMNSDA-ROUUACIJSA-N 2 1 332.492 1.388 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638107817 451274453 /nfs/dbraw/zinc/27/44/53/451274453.db2.gz HVBPWNHXIMNSDA-ROUUACIJSA-N 2 1 332.492 1.388 10 0 EDAEMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237677871 139057669 /nfs/dbraw/zinc/05/76/69/139057669.db2.gz ZUMVJXJYUWEIEQ-DOTOQJQBSA-N 2 1 333.501 1.814 10 0 EDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237677871 139057670 /nfs/dbraw/zinc/05/76/70/139057670.db2.gz ZUMVJXJYUWEIEQ-DOTOQJQBSA-N 2 1 333.501 1.814 10 0 EDAEMP CC[C@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[N@H+]1CCOC ZINC000247189187 139139321 /nfs/dbraw/zinc/13/93/21/139139321.db2.gz SFOGYGUJVVMLQO-SJORKVTESA-N 2 1 342.528 1.715 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248866451 139178280 /nfs/dbraw/zinc/17/82/80/139178280.db2.gz QDYJRCNCKWBWAP-KBAYOESNSA-N 2 1 330.476 1.852 10 0 EDAEMP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000117488645 221069540 /nfs/dbraw/zinc/06/95/40/221069540.db2.gz DPQCJULURAAZOJ-MRXNPFEDSA-N 2 1 340.512 1.613 10 0 EDAEMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000117488645 221069544 /nfs/dbraw/zinc/06/95/44/221069544.db2.gz DPQCJULURAAZOJ-MRXNPFEDSA-N 2 1 340.512 1.613 10 0 EDAEMP C[C@@H](C(=O)N(C)C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915747 274190006 /nfs/dbraw/zinc/19/00/06/274190006.db2.gz QJUDXYSRWUCNNU-LPHOPBHVSA-N 2 1 347.503 1.841 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248866453 288218359 /nfs/dbraw/zinc/21/83/59/288218359.db2.gz QDYJRCNCKWBWAP-NXHRZFHOSA-N 2 1 330.476 1.852 10 0 EDAEMP C[N@@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000105294078 441249608 /nfs/dbraw/zinc/24/96/08/441249608.db2.gz REQMEGMVGCGKDO-INIZCTEOSA-N 2 1 326.485 1.007 10 0 EDAEMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000106456247 441345015 /nfs/dbraw/zinc/34/50/15/441345015.db2.gz JUNIRJZRUWUDEK-ZIFCJYIRSA-N 2 1 347.503 1.775 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000176451466 442223697 /nfs/dbraw/zinc/22/36/97/442223697.db2.gz CRPKGHYUPNKZTO-LPHOPBHVSA-N 2 1 347.503 1.841 10 0 EDAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000170830989 442271076 /nfs/dbraw/zinc/27/10/76/442271076.db2.gz XHGXFGNUZXFRRY-QAPCUYQASA-N 2 1 330.476 1.779 10 0 EDAEMP CNC(=O)c1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000172151096 442416446 /nfs/dbraw/zinc/41/64/46/442416446.db2.gz PSOQJURDBBALNY-OAHLLOKOSA-N 2 1 333.476 1.571 10 0 EDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000134204749 442458813 /nfs/dbraw/zinc/45/88/13/442458813.db2.gz YOANUKDTKLNWMN-MOPGFXCFSA-N 2 1 347.503 1.512 10 0 EDAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247881703 442871781 /nfs/dbraw/zinc/87/17/81/442871781.db2.gz ZKOJWLUOVRZMKZ-MOPGFXCFSA-N 2 1 347.503 1.632 10 0 EDAEMP CCC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000183404788 442927966 /nfs/dbraw/zinc/92/79/66/442927966.db2.gz JDHQBSFGZQRDRO-ROUUACIJSA-N 2 1 333.476 1.600 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000184970880 318540424 /nfs/dbraw/zinc/54/04/24/318540424.db2.gz YZLCFJNORBGBMX-IRXDYDNUSA-N 2 1 340.512 1.205 10 0 EDAEMP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249878261 443008428 /nfs/dbraw/zinc/00/84/28/443008428.db2.gz MLNMIURAZVYELJ-YESZJQIVSA-N 2 1 335.448 1.372 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000249748620 443003229 /nfs/dbraw/zinc/00/32/29/443003229.db2.gz AZLZEXFZOFLWBM-ZWKOTPCHSA-N 2 1 332.492 1.943 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000184948900 443105196 /nfs/dbraw/zinc/10/51/96/443105196.db2.gz HMMAICKVLMRTTH-BBWFWOEESA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000184948900 443105200 /nfs/dbraw/zinc/10/52/00/443105200.db2.gz HMMAICKVLMRTTH-BBWFWOEESA-N 2 1 340.512 1.205 10 0 EDAEMP CC[NH+](CC)CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190678968 443163400 /nfs/dbraw/zinc/16/34/00/443163400.db2.gz KUZSKCZDIQHDIT-SFHVURJKSA-N 2 1 347.507 1.887 10 0 EDAEMP [NH3+]C1(CC(=O)N[C@H]2CCC[C@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000637926891 452175338 /nfs/dbraw/zinc/17/53/38/452175338.db2.gz HTYNDPNEDMETMH-ROUUACIJSA-N 2 1 345.487 1.790 10 0 EDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644154009 453086890 /nfs/dbraw/zinc/08/68/90/453086890.db2.gz LSCUFMCGJLXMKY-ZFWWWQNUSA-N 2 1 325.403 1.868 10 0 EDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000662941282 453617182 /nfs/dbraw/zinc/61/71/82/453617182.db2.gz VKMMRXCRDNRFMK-CTWPCTMYSA-N 2 1 344.503 1.436 10 0 EDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000662941282 453617184 /nfs/dbraw/zinc/61/71/84/453617184.db2.gz VKMMRXCRDNRFMK-CTWPCTMYSA-N 2 1 344.503 1.436 10 0 EDAEMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C2 ZINC000888097999 591027139 /nfs/dbraw/zinc/02/71/39/591027139.db2.gz WVLPSSIAKWUSDE-YFHUEUNASA-N 2 1 335.496 1.055 10 0 EDAEMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000067727240 215197314 /nfs/dbraw/zinc/19/73/14/215197314.db2.gz CERTYFCLMSXWAX-CYBMUJFWSA-N 2 1 327.432 1.950 10 0 EDAEMP O[C@H](COc1ccccc1)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132293892 223317530 /nfs/dbraw/zinc/31/75/30/223317530.db2.gz HTRKRHOOZLMLPK-IBGZPJMESA-N 2 1 347.503 1.530 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C2)[nH+]1 ZINC000246524786 139111912 /nfs/dbraw/zinc/11/19/12/139111912.db2.gz KUWBYFVEXQHHMM-ZFWWWQNUSA-N 2 1 325.478 1.805 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C2)[nH+]1 ZINC000246524786 139111913 /nfs/dbraw/zinc/11/19/13/139111913.db2.gz KUWBYFVEXQHHMM-ZFWWWQNUSA-N 2 1 325.478 1.805 10 0 EDAEMP Cn1cc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000246908696 139126461 /nfs/dbraw/zinc/12/64/61/139126461.db2.gz HNZRMDSYKCSWJX-IAGOWNOFSA-N 2 1 342.491 1.823 10 0 EDAEMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247219035 139141176 /nfs/dbraw/zinc/14/11/76/139141176.db2.gz BPGGUKVJQZAJTD-IBGZPJMESA-N 2 1 342.487 1.924 10 0 EDAEMP O=C(NCCC[NH+]1CCc2ccccc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247219035 139141177 /nfs/dbraw/zinc/14/11/77/139141177.db2.gz BPGGUKVJQZAJTD-IBGZPJMESA-N 2 1 342.487 1.924 10 0 EDAEMP O=C(NCCC[NH+]1CCc2ccccc2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247219035 139141178 /nfs/dbraw/zinc/14/11/78/139141178.db2.gz BPGGUKVJQZAJTD-IBGZPJMESA-N 2 1 342.487 1.924 10 0 EDAEMP [NH3+]Cc1c(Br)cccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000168311065 226211029 /nfs/dbraw/zinc/21/10/29/226211029.db2.gz QLKUNNJCXFSGRO-LBPRGKRZSA-N 2 1 340.265 1.819 10 0 EDAEMP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000117048783 278272552 /nfs/dbraw/zinc/27/25/52/278272552.db2.gz RNKPRCCPQBGCLA-FUHWJXTLSA-N 2 1 348.491 1.479 10 0 EDAEMP COCC[NH+]1CCC(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173645281 441812751 /nfs/dbraw/zinc/81/27/51/441812751.db2.gz ILQOJMFFMVJAEG-JKSUJKDBSA-N 2 1 333.476 1.953 10 0 EDAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000116788781 441844855 /nfs/dbraw/zinc/84/48/55/441844855.db2.gz CLOGRYHHWLLDNM-ROUUACIJSA-N 2 1 331.460 1.440 10 0 EDAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792649 441848520 /nfs/dbraw/zinc/84/85/20/441848520.db2.gz PTCKYWYZEHDFFE-MOPGFXCFSA-N 2 1 345.487 1.688 10 0 EDAEMP CCOc1cc(C)nc(N2CCN(CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000120885565 442147491 /nfs/dbraw/zinc/14/74/91/442147491.db2.gz HSRUZIWBZIZOSQ-MRXNPFEDSA-N 2 1 333.480 1.790 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000176451438 442223919 /nfs/dbraw/zinc/22/39/19/442223919.db2.gz CRPKGHYUPNKZTO-QFBILLFUSA-N 2 1 347.503 1.841 10 0 EDAEMP CC(C)N1CCC[C@H]([N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000177710389 442373480 /nfs/dbraw/zinc/37/34/80/442373480.db2.gz GCDHZIODEQZHLL-WBVHZDCISA-N 2 1 325.497 1.410 10 0 EDAEMP COC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247165812 442839238 /nfs/dbraw/zinc/83/92/38/442839238.db2.gz MQSRXUCDYOGKTI-CRAIPNDOSA-N 2 1 334.460 1.925 10 0 EDAEMP COC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247165812 442839240 /nfs/dbraw/zinc/83/92/40/442839240.db2.gz MQSRXUCDYOGKTI-CRAIPNDOSA-N 2 1 334.460 1.925 10 0 EDAEMP CC[N@@H+](CC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000190645396 443156885 /nfs/dbraw/zinc/15/68/85/443156885.db2.gz AMIJYLJZUJWNEP-QGZVFWFLSA-N 2 1 330.476 1.846 10 0 EDAEMP CC[NH+](CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000190645396 443156889 /nfs/dbraw/zinc/15/68/89/443156889.db2.gz AMIJYLJZUJWNEP-QGZVFWFLSA-N 2 1 330.476 1.846 10 0 EDAEMP CC[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000190645396 443156893 /nfs/dbraw/zinc/15/68/93/443156893.db2.gz AMIJYLJZUJWNEP-QGZVFWFLSA-N 2 1 330.476 1.846 10 0 EDAEMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000384391972 319127138 /nfs/dbraw/zinc/12/71/38/319127138.db2.gz SGTIJQLTRCKQBJ-SFHVURJKSA-N 2 1 344.503 1.451 10 0 EDAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741606 453467126 /nfs/dbraw/zinc/46/71/26/453467126.db2.gz FWUKDBLDCMUYTH-CGTJXYLNSA-N 2 1 332.492 1.292 10 0 EDAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741606 453467132 /nfs/dbraw/zinc/46/71/32/453467132.db2.gz FWUKDBLDCMUYTH-CGTJXYLNSA-N 2 1 332.492 1.292 10 0 EDAEMP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178301316 528700678 /nfs/dbraw/zinc/70/06/78/528700678.db2.gz UKZJZAFYCJHLNO-OAHLLOKOSA-N 2 1 336.436 1.115 10 0 EDAEMP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178301316 528700682 /nfs/dbraw/zinc/70/06/82/528700682.db2.gz UKZJZAFYCJHLNO-OAHLLOKOSA-N 2 1 336.436 1.115 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000174952262 528735509 /nfs/dbraw/zinc/73/55/09/528735509.db2.gz BBUVJPFCCRUSQF-INIZCTEOSA-N 2 1 325.497 1.676 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000174952262 528735516 /nfs/dbraw/zinc/73/55/16/528735516.db2.gz BBUVJPFCCRUSQF-INIZCTEOSA-N 2 1 325.497 1.676 10 0 EDAEMP C[N@@H+](CCN1CCN(CC(=O)NC2CC2)CC1)Cc1ccc(F)cc1 ZINC000173178982 540093637 /nfs/dbraw/zinc/09/36/37/540093637.db2.gz XLQHPLSJGFVCMS-UHFFFAOYSA-N 2 1 348.466 1.154 10 0 EDAEMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718643 138686610 /nfs/dbraw/zinc/68/66/10/138686610.db2.gz FIKXNILVCKHUFP-ROUUACIJSA-N 2 1 346.519 1.822 10 0 EDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247601946 139153028 /nfs/dbraw/zinc/15/30/28/139153028.db2.gz UUZNCYDHCHWRNZ-APWZRJJASA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000247601946 139153029 /nfs/dbraw/zinc/15/30/29/139153029.db2.gz UUZNCYDHCHWRNZ-APWZRJJASA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000247601946 139153030 /nfs/dbraw/zinc/15/30/30/139153030.db2.gz UUZNCYDHCHWRNZ-APWZRJJASA-N 2 1 342.487 1.923 10 0 EDAEMP C[NH+](C)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262838029 139306992 /nfs/dbraw/zinc/30/69/92/139306992.db2.gz SVCNEGBVBVPRMH-UKRRQHHQSA-N 2 1 331.420 1.433 10 0 EDAEMP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000117027557 221024438 /nfs/dbraw/zinc/02/44/38/221024438.db2.gz DJHLZSKDJNCZAY-GOSISDBHSA-N 2 1 348.491 1.481 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117477851 221068171 /nfs/dbraw/zinc/06/81/71/221068171.db2.gz XCKHLACRGGPILY-MRXNPFEDSA-N 2 1 326.485 1.080 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117477851 221068173 /nfs/dbraw/zinc/06/81/73/221068173.db2.gz XCKHLACRGGPILY-MRXNPFEDSA-N 2 1 326.485 1.080 10 0 EDAEMP C[NH+](C)C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000171949611 227380716 /nfs/dbraw/zinc/38/07/16/227380716.db2.gz NXQYLGJOUYUVDL-SFHVURJKSA-N 2 1 333.476 1.908 10 0 EDAEMP C[NH+](C)CCn1ncc(Br)c1C(=O)[C@H]([NH3+])C(C)(C)C ZINC000164686653 226092713 /nfs/dbraw/zinc/09/27/13/226092713.db2.gz JAEVQBAGADMWEH-LBPRGKRZSA-N 2 1 331.258 1.763 10 0 EDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@H]1C ZINC000174325512 533694894 /nfs/dbraw/zinc/69/48/94/533694894.db2.gz HXDSXXFBNOOTEG-HZPDHXFCSA-N 2 1 349.475 1.154 10 0 EDAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@H]1C ZINC000174325512 533694886 /nfs/dbraw/zinc/69/48/86/533694886.db2.gz HXDSXXFBNOOTEG-HZPDHXFCSA-N 2 1 349.475 1.154 10 0 EDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000113601864 441617435 /nfs/dbraw/zinc/61/74/35/441617435.db2.gz VEHOOBZVAGFCEP-FUHWJXTLSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000113601864 441617440 /nfs/dbraw/zinc/61/74/40/441617440.db2.gz VEHOOBZVAGFCEP-FUHWJXTLSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000113601864 441617444 /nfs/dbraw/zinc/61/74/44/441617444.db2.gz VEHOOBZVAGFCEP-FUHWJXTLSA-N 2 1 330.476 1.997 10 0 EDAEMP Cc1[nH+]ccn1-c1cncc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000092913903 441839375 /nfs/dbraw/zinc/83/93/75/441839375.db2.gz LEPOBAUYNNLANH-HNNXBMFYSA-N 2 1 342.447 1.884 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000175607816 442092610 /nfs/dbraw/zinc/09/26/10/442092610.db2.gz NIZXYEFYAFPTSX-RBUKOAKNSA-N 2 1 345.487 1.878 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000175607816 442092615 /nfs/dbraw/zinc/09/26/15/442092615.db2.gz NIZXYEFYAFPTSX-RBUKOAKNSA-N 2 1 345.487 1.878 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000175607816 442092621 /nfs/dbraw/zinc/09/26/21/442092621.db2.gz NIZXYEFYAFPTSX-RBUKOAKNSA-N 2 1 345.487 1.878 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000175607816 442092627 /nfs/dbraw/zinc/09/26/27/442092627.db2.gz NIZXYEFYAFPTSX-RBUKOAKNSA-N 2 1 345.487 1.878 10 0 EDAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000176893457 442267964 /nfs/dbraw/zinc/26/79/64/442267964.db2.gz SYDFOQPJMCYVHE-KRWDZBQOSA-N 2 1 344.459 1.513 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000176893457 442267966 /nfs/dbraw/zinc/26/79/66/442267966.db2.gz SYDFOQPJMCYVHE-KRWDZBQOSA-N 2 1 344.459 1.513 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000176893457 442267970 /nfs/dbraw/zinc/26/79/70/442267970.db2.gz SYDFOQPJMCYVHE-KRWDZBQOSA-N 2 1 344.459 1.513 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000176893457 442267972 /nfs/dbraw/zinc/26/79/72/442267972.db2.gz SYDFOQPJMCYVHE-KRWDZBQOSA-N 2 1 344.459 1.513 10 0 EDAEMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828129 442270385 /nfs/dbraw/zinc/27/03/85/442270385.db2.gz ONTUNGFSMHNGJB-IRXDYDNUSA-N 2 1 340.512 1.469 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000170832062 442270923 /nfs/dbraw/zinc/27/09/23/442270923.db2.gz YEDBZSZOAXQOMB-GOSISDBHSA-N 2 1 346.475 1.364 10 0 EDAEMP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCOCC2 ZINC000186270086 442500794 /nfs/dbraw/zinc/50/07/94/442500794.db2.gz IVRPIIGRKVGMNO-IRXDYDNUSA-N 2 1 326.481 1.397 10 0 EDAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000178754436 442475427 /nfs/dbraw/zinc/47/54/27/442475427.db2.gz AXPHRKRJPFTHTO-CQSZACIVSA-N 2 1 329.429 1.926 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnc(C3CCC3)n2C)CC1 ZINC000181287953 442688387 /nfs/dbraw/zinc/68/83/87/442688387.db2.gz LJRMICHBIIVLTA-CQSZACIVSA-N 2 1 335.496 1.607 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnc(C3CCC3)n2C)CC1 ZINC000181287953 442688388 /nfs/dbraw/zinc/68/83/88/442688388.db2.gz LJRMICHBIIVLTA-CQSZACIVSA-N 2 1 335.496 1.607 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000182658568 442802503 /nfs/dbraw/zinc/80/25/03/442802503.db2.gz DAIZBJVBNRWSSI-IAGOWNOFSA-N 2 1 340.512 1.349 10 0 EDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1C ZINC000248571210 442901256 /nfs/dbraw/zinc/90/12/56/442901256.db2.gz CQMVVGOLRLFDGT-JYJNAYRXSA-N 2 1 342.528 1.449 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249176528 442959064 /nfs/dbraw/zinc/95/90/64/442959064.db2.gz ZNNJDYQGWRMPSI-JKSUJKDBSA-N 2 1 342.528 1.449 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249176526 442959424 /nfs/dbraw/zinc/95/94/24/442959424.db2.gz ZNNJDYQGWRMPSI-HZPDHXFCSA-N 2 1 342.528 1.449 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184833951 443084334 /nfs/dbraw/zinc/08/43/34/443084334.db2.gz FJHYQSXALRYRQJ-IAGOWNOFSA-N 2 1 340.512 1.205 10 0 EDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390907436 447507059 /nfs/dbraw/zinc/50/70/59/447507059.db2.gz SSCVHUDJYRYUQF-ROUUACIJSA-N 2 1 333.476 1.767 10 0 EDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662744570 453473358 /nfs/dbraw/zinc/47/33/58/453473358.db2.gz RAOBNVAJUAAXDN-MSOLQXFVSA-N 2 1 332.492 1.292 10 0 EDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662744570 453473364 /nfs/dbraw/zinc/47/33/64/453473364.db2.gz RAOBNVAJUAAXDN-MSOLQXFVSA-N 2 1 332.492 1.292 10 0 EDAEMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179743762 233393527 /nfs/dbraw/zinc/39/35/27/233393527.db2.gz AQPPSUFTFCDJSG-GOSISDBHSA-N 2 1 343.475 1.788 10 0 EDAEMP C[C@H]1C[N@H+](C2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)CCO1 ZINC000262392416 139275609 /nfs/dbraw/zinc/27/56/09/139275609.db2.gz YYEVSVQGVUHUAL-JHXCCQHYSA-N 2 1 349.519 1.852 10 0 EDAEMP C[NH2+][C@H](Cc1cncc(Br)c1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000167996536 533010359 /nfs/dbraw/zinc/01/03/59/533010359.db2.gz HOPVFSVJFSUAOS-HUUCEWRRSA-N 2 1 341.297 1.611 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccccc2F)CC1 ZINC000105862215 441293167 /nfs/dbraw/zinc/29/31/67/441293167.db2.gz ABCNAQINCOHJDQ-AWEZNQCLSA-N 2 1 337.439 1.789 10 0 EDAEMP CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092098708 441773500 /nfs/dbraw/zinc/77/35/00/441773500.db2.gz LDWJQIGPFSQJQE-IBGZPJMESA-N 2 1 344.503 1.927 10 0 EDAEMP Cn1cc([C@@H]2CCCN2Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000131911852 442383161 /nfs/dbraw/zinc/38/31/61/442383161.db2.gz FFNIJFGDSIZJAJ-KRWDZBQOSA-N 2 1 341.463 1.299 10 0 EDAEMP CC[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000172322941 442443917 /nfs/dbraw/zinc/44/39/17/442443917.db2.gz IUCWKIVVPPPEBJ-KRWDZBQOSA-N 2 1 340.512 1.615 10 0 EDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190092110 443056191 /nfs/dbraw/zinc/05/61/91/443056191.db2.gz CJDXXSNTMKWJQC-WMLDXEAASA-N 2 1 344.459 1.382 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000184697181 443061761 /nfs/dbraw/zinc/06/17/61/443061761.db2.gz AMSDYAUAUARKAT-INIZCTEOSA-N 2 1 328.501 1.203 10 0 EDAEMP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178301333 528701072 /nfs/dbraw/zinc/70/10/72/528701072.db2.gz UKZJZAFYCJHLNO-HNNXBMFYSA-N 2 1 336.436 1.115 10 0 EDAEMP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178301333 528701078 /nfs/dbraw/zinc/70/10/78/528701078.db2.gz UKZJZAFYCJHLNO-HNNXBMFYSA-N 2 1 336.436 1.115 10 0 EDAEMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246155819 535483798 /nfs/dbraw/zinc/48/37/98/535483798.db2.gz PTVIJFDDTISDLL-ZACQAIPSSA-N 2 1 338.496 1.223 10 0 EDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246155819 535483804 /nfs/dbraw/zinc/48/38/04/535483804.db2.gz PTVIJFDDTISDLL-ZACQAIPSSA-N 2 1 338.496 1.223 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000079100870 138260223 /nfs/dbraw/zinc/26/02/23/138260223.db2.gz DEMLDFYJNMDYBJ-IAGOWNOFSA-N 2 1 342.528 1.619 10 0 EDAEMP COC(=O)CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915704 441315711 /nfs/dbraw/zinc/31/57/11/441315711.db2.gz CELVPRWVXBGGED-GOSISDBHSA-N 2 1 334.460 1.927 10 0 EDAEMP CCC[C@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000162803776 442123404 /nfs/dbraw/zinc/12/34/04/442123404.db2.gz QVRADAVQRWCIFP-LJQANCHMSA-N 2 1 346.519 1.997 10 0 EDAEMP C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000121270185 442198706 /nfs/dbraw/zinc/19/87/06/442198706.db2.gz ONIIHEWOAZBFLL-OWCLPIDISA-N 2 1 340.512 1.325 10 0 EDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000134204869 442458115 /nfs/dbraw/zinc/45/81/15/442458115.db2.gz YOANUKDTKLNWMN-RTBURBONSA-N 2 1 347.503 1.512 10 0 EDAEMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247384744 442851001 /nfs/dbraw/zinc/85/10/01/442851001.db2.gz WHDNYJDUYNSDAD-LSDHHAIUSA-N 2 1 327.513 1.704 10 0 EDAEMP CCCCOC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000195201470 442996181 /nfs/dbraw/zinc/99/61/81/442996181.db2.gz USLLCSJTANKOHZ-SWDXFRIISA-N 2 1 339.524 1.407 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000184945224 443104051 /nfs/dbraw/zinc/10/40/51/443104051.db2.gz IOFKMIZWEGELBO-GOSISDBHSA-N 2 1 348.491 1.217 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000184945224 443104054 /nfs/dbraw/zinc/10/40/54/443104054.db2.gz IOFKMIZWEGELBO-GOSISDBHSA-N 2 1 348.491 1.217 10 0 EDAEMP CC[N@@H+](CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000185035653 443123218 /nfs/dbraw/zinc/12/32/18/443123218.db2.gz HOUPESJTXYWOTG-HNNXBMFYSA-N 2 1 340.512 1.205 10 0 EDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740988 453467793 /nfs/dbraw/zinc/46/77/93/453467793.db2.gz BMHZJBGTHDXBNI-RBUKOAKNSA-N 2 1 344.503 1.309 10 0 EDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662740988 453467800 /nfs/dbraw/zinc/46/78/00/453467800.db2.gz BMHZJBGTHDXBNI-RBUKOAKNSA-N 2 1 344.503 1.309 10 0 EDAEMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)nc1)C2 ZINC000888097292 591027963 /nfs/dbraw/zinc/02/79/63/591027963.db2.gz GWFPDTKBILNXPW-RWQQGDIJSA-N 2 1 332.492 1.717 10 0 EDAEMP CN1CCC([NH+]2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000171905521 530049767 /nfs/dbraw/zinc/04/97/67/530049767.db2.gz PYQBGJPWOPPNHK-GOSISDBHSA-N 2 1 349.523 1.035 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000246973253 139129220 /nfs/dbraw/zinc/12/92/20/139129220.db2.gz DZWZLYVFXSHJND-HOTGVXAUSA-N 2 1 326.485 1.080 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000246973253 139129221 /nfs/dbraw/zinc/12/92/21/139129221.db2.gz DZWZLYVFXSHJND-HOTGVXAUSA-N 2 1 326.485 1.080 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000246973253 139129222 /nfs/dbraw/zinc/12/92/22/139129222.db2.gz DZWZLYVFXSHJND-HOTGVXAUSA-N 2 1 326.485 1.080 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000246973253 139129223 /nfs/dbraw/zinc/12/92/23/139129223.db2.gz DZWZLYVFXSHJND-HOTGVXAUSA-N 2 1 326.485 1.080 10 0 EDAEMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249883057 139199622 /nfs/dbraw/zinc/19/96/22/139199622.db2.gz OAQWYTKIKGITTF-KGLIPLIRSA-N 2 1 333.436 1.358 10 0 EDAEMP COCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262124746 139253015 /nfs/dbraw/zinc/25/30/15/139253015.db2.gz MSYVMOYTFHXUIE-KRWDZBQOSA-N 2 1 349.475 1.200 10 0 EDAEMP C[NH2+][C@H](Cc1cncc(Br)c1)C[C@H]1C[N@@H+](C)CCN1C ZINC000167996760 533010299 /nfs/dbraw/zinc/01/02/99/533010299.db2.gz HOPVFSVJFSUAOS-CABCVRRESA-N 2 1 341.297 1.611 10 0 EDAEMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCOC ZINC000117304510 221051782 /nfs/dbraw/zinc/05/17/82/221051782.db2.gz KAFGCVQLFYJDEI-GOSISDBHSA-N 2 1 333.476 1.931 10 0 EDAEMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCOC ZINC000117304510 221051785 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000186123689 279325623 /nfs/dbraw/zinc/32/56/23/279325623.db2.gz YAYUGKPFMHTKQW-IRXDYDNUSA-N 2 1 339.528 1.138 10 0 EDAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186123689 279325626 /nfs/dbraw/zinc/32/56/26/279325626.db2.gz YAYUGKPFMHTKQW-IRXDYDNUSA-N 2 1 339.528 1.138 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186123689 279325627 /nfs/dbraw/zinc/32/56/27/279325627.db2.gz YAYUGKPFMHTKQW-IRXDYDNUSA-N 2 1 339.528 1.138 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000121279197 442198435 /nfs/dbraw/zinc/19/84/35/442198435.db2.gz KEGHJEBEOWFQCU-CABCVRRESA-N 2 1 326.485 1.125 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171588431 442359966 /nfs/dbraw/zinc/35/99/66/442359966.db2.gz ZXIQUGXRLZFMPC-LPHOPBHVSA-N 2 1 347.503 1.841 10 0 EDAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000178745616 442472027 /nfs/dbraw/zinc/47/20/27/442472027.db2.gz WAMURGPMZYJRFH-MRXNPFEDSA-N 2 1 347.463 1.814 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000178745616 442472034 /nfs/dbraw/zinc/47/20/34/442472034.db2.gz WAMURGPMZYJRFH-MRXNPFEDSA-N 2 1 347.463 1.814 10 0 EDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193938513 442815298 /nfs/dbraw/zinc/81/52/98/442815298.db2.gz JPUMALQNRMTLIZ-MRXNPFEDSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000193938513 442815301 /nfs/dbraw/zinc/81/53/01/442815301.db2.gz JPUMALQNRMTLIZ-MRXNPFEDSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000193938513 442815304 /nfs/dbraw/zinc/81/53/04/442815304.db2.gz JPUMALQNRMTLIZ-MRXNPFEDSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000193938513 442815309 /nfs/dbraw/zinc/81/53/09/442815309.db2.gz JPUMALQNRMTLIZ-MRXNPFEDSA-N 2 1 330.432 1.171 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000184920128 443098456 /nfs/dbraw/zinc/09/84/56/443098456.db2.gz JGLKEEOFWYGQOE-MRXNPFEDSA-N 2 1 340.512 1.347 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000184711599 443063984 /nfs/dbraw/zinc/06/39/84/443063984.db2.gz ZGTYYDBQQGMSRE-MRXNPFEDSA-N 2 1 340.512 1.349 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184833964 443083940 /nfs/dbraw/zinc/08/39/40/443083940.db2.gz FJHYQSXALRYRQJ-SJORKVTESA-N 2 1 340.512 1.205 10 0 EDAEMP C[C@H](CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000263229177 443227072 /nfs/dbraw/zinc/22/70/72/443227072.db2.gz BMNWLQVHYFEOSG-ZACQAIPSSA-N 2 1 337.508 1.724 10 0 EDAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246126572 443270397 /nfs/dbraw/zinc/27/03/97/443270397.db2.gz LYLAVXBKWZUJDB-OAGGEKHMSA-N 2 1 326.485 1.079 10 0 EDAEMP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C(F)(F)F)n1 ZINC000299739776 444129333 /nfs/dbraw/zinc/12/93/33/444129333.db2.gz AVCNIAGYLNFBAG-GHMZBOCLSA-N 2 1 333.358 1.123 10 0 EDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000638835513 451705052 /nfs/dbraw/zinc/70/50/52/451705052.db2.gz MALUPAJDFNYQCH-FUHWJXTLSA-N 2 1 345.487 1.626 10 0 EDAEMP CC[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000184235551 529267888 /nfs/dbraw/zinc/26/78/88/529267888.db2.gz GUOMFGJIJBDNAQ-CVEARBPZSA-N 2 1 325.497 1.589 10 0 EDAEMP Cc1ccc(N2CCC(NC(=O)[C@H]3CC34CC[NH2+]CC4)CC2)[nH+]c1 ZINC000237907059 139063363 /nfs/dbraw/zinc/06/33/63/139063363.db2.gz QIEHEGMCTYGSAH-MRXNPFEDSA-N 2 1 328.460 1.865 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000246574692 139113578 /nfs/dbraw/zinc/11/35/78/139113578.db2.gz VEXXWQZEQKVCHY-NXHRZFHOSA-N 2 1 333.476 1.892 10 0 EDAEMP C[NH+](C)[C@@H](CNC(=O)CN1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000249281434 139190132 /nfs/dbraw/zinc/19/01/32/139190132.db2.gz GOAXNFZEOCGXBI-OALUTQOASA-N 2 1 344.503 1.576 10 0 EDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261878570 139233618 /nfs/dbraw/zinc/23/36/18/139233618.db2.gz UIWWPKIOTUASPV-PHAGKYIGSA-N 2 1 345.487 1.766 10 0 EDAEMP C[NH2+][C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000262338598 139271447 /nfs/dbraw/zinc/27/14/47/139271447.db2.gz HRCOSCHHLMBWHH-ZWKOTPCHSA-N 2 1 337.427 1.650 10 0 EDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000252442129 278199892 /nfs/dbraw/zinc/19/98/92/278199892.db2.gz QLNZXIGRXGRDDY-AEFFLSMTSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000252442129 278199893 /nfs/dbraw/zinc/19/98/93/278199893.db2.gz QLNZXIGRXGRDDY-AEFFLSMTSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000252442129 278199895 /nfs/dbraw/zinc/19/98/95/278199895.db2.gz QLNZXIGRXGRDDY-AEFFLSMTSA-N 2 1 330.476 1.997 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000123419854 441886528 /nfs/dbraw/zinc/88/65/28/441886528.db2.gz RUWSUJZHMPWEIR-QGZVFWFLSA-N 2 1 332.496 1.145 10 0 EDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000123419854 441886534 /nfs/dbraw/zinc/88/65/34/441886534.db2.gz RUWSUJZHMPWEIR-QGZVFWFLSA-N 2 1 332.496 1.145 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000123419854 441886539 /nfs/dbraw/zinc/88/65/39/441886539.db2.gz RUWSUJZHMPWEIR-QGZVFWFLSA-N 2 1 332.496 1.145 10 0 EDAEMP C[C@H]1CN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175668439 442103335 /nfs/dbraw/zinc/10/33/35/442103335.db2.gz PUISGZNTDFADTR-IXDOHACOSA-N 2 1 338.496 1.080 10 0 EDAEMP C[C@H]1CN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000175668439 442103339 /nfs/dbraw/zinc/10/33/39/442103339.db2.gz PUISGZNTDFADTR-IXDOHACOSA-N 2 1 338.496 1.080 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000152387141 442205992 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EDAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000178745605 442472536 /nfs/dbraw/zinc/47/25/36/442472536.db2.gz WAMURGPMZYJRFH-INIZCTEOSA-N 2 1 347.463 1.814 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000178745605 442472542 /nfs/dbraw/zinc/47/25/42/442472542.db2.gz WAMURGPMZYJRFH-INIZCTEOSA-N 2 1 347.463 1.814 10 0 EDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000246717381 442807423 /nfs/dbraw/zinc/80/74/23/442807423.db2.gz LCXYMCFMHKRJRY-ZIFCJYIRSA-N 2 1 345.487 1.565 10 0 EDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000246717381 442807427 /nfs/dbraw/zinc/80/74/27/442807427.db2.gz LCXYMCFMHKRJRY-ZIFCJYIRSA-N 2 1 345.487 1.565 10 0 EDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000246717381 442807430 /nfs/dbraw/zinc/80/74/30/442807430.db2.gz LCXYMCFMHKRJRY-ZIFCJYIRSA-N 2 1 345.487 1.565 10 0 EDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C 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BPVREKHPIZRMCG-SJLPKXTDSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181066066 534027595 /nfs/dbraw/zinc/02/75/95/534027595.db2.gz BPVREKHPIZRMCG-SJLPKXTDSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000181066066 534027599 /nfs/dbraw/zinc/02/75/99/534027599.db2.gz BPVREKHPIZRMCG-SJLPKXTDSA-N 2 1 330.476 1.997 10 0 EDAEMP C[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[N@H+](C)CCCN1C ZINC000168003830 533011151 /nfs/dbraw/zinc/01/11/51/533011151.db2.gz WVVHNANLJPDGGL-CABCVRRESA-N 2 1 341.297 1.611 10 0 EDAEMP C[NH2+][C@H](Cc1cncc(Br)c1)[C@@H]1C[N@@H+](C)CCCN1C ZINC000168003830 533011155 /nfs/dbraw/zinc/01/11/55/533011155.db2.gz WVVHNANLJPDGGL-CABCVRRESA-N 2 1 341.297 1.611 10 0 EDAEMP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000171930161 227369306 /nfs/dbraw/zinc/36/93/06/227369306.db2.gz QUMPBCBAVFOCQV-KRWDZBQOSA-N 2 1 348.516 1.970 10 0 EDAEMP 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340.512 1.613 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000184970840 318540144 /nfs/dbraw/zinc/54/01/44/318540144.db2.gz YZLCFJNORBGBMX-SJORKVTESA-N 2 1 340.512 1.205 10 0 EDAEMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000245902747 443255594 /nfs/dbraw/zinc/25/55/94/443255594.db2.gz LLZASFYAFGFJBR-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000245902747 443255597 /nfs/dbraw/zinc/25/55/97/443255597.db2.gz LLZASFYAFGFJBR-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000245902747 443255601 /nfs/dbraw/zinc/25/56/01/443255601.db2.gz LLZASFYAFGFJBR-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP C[N@@H+](C[C@H](O)CN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460268 /nfs/dbraw/zinc/46/02/68/447460268.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 2 1 343.515 1.942 10 0 EDAEMP C[NH+](C[C@H](O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460270 /nfs/dbraw/zinc/46/02/70/447460270.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 2 1 343.515 1.942 10 0 EDAEMP C[NH+](C[C@H](O)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000381383607 447460272 /nfs/dbraw/zinc/46/02/72/447460272.db2.gz SJXHYQXHFRKQSP-AYWYSENESA-N 2 1 343.515 1.942 10 0 EDAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390919677 447506313 /nfs/dbraw/zinc/50/63/13/447506313.db2.gz ABQYEPJANBFOKV-BMSWRWNDSA-N 2 1 343.471 1.675 10 0 EDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000662939136 453614985 /nfs/dbraw/zinc/61/49/85/453614985.db2.gz CEBDUBDWXIVBHZ-PKOBYXMFSA-N 2 1 330.476 1.061 10 0 EDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000662939136 453614990 /nfs/dbraw/zinc/61/49/90/453614990.db2.gz CEBDUBDWXIVBHZ-PKOBYXMFSA-N 2 1 330.476 1.061 10 0 EDAEMP COCCn1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000888097459 591028348 /nfs/dbraw/zinc/02/83/48/591028348.db2.gz JFNQPYNKHKWNEE-BRSBDYLESA-N 2 1 336.480 1.099 10 0 EDAEMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCC(=O)NC(C)(C)C ZINC000020872715 212180397 /nfs/dbraw/zinc/18/03/97/212180397.db2.gz JVYDKFKEOBCMGE-UHFFFAOYSA-N 2 1 337.464 1.688 10 0 EDAEMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000195334456 139014768 /nfs/dbraw/zinc/01/47/68/139014768.db2.gz GXGRLMXEVGLYDA-IBGZPJMESA-N 2 1 342.487 1.354 10 0 EDAEMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000195334456 139014771 /nfs/dbraw/zinc/01/47/71/139014771.db2.gz GXGRLMXEVGLYDA-IBGZPJMESA-N 2 1 342.487 1.354 10 0 EDAEMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000195334456 139014772 /nfs/dbraw/zinc/01/47/72/139014772.db2.gz GXGRLMXEVGLYDA-IBGZPJMESA-N 2 1 342.487 1.354 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247601952 139152926 /nfs/dbraw/zinc/15/29/26/139152926.db2.gz UUZNCYDHCHWRNZ-LPHOPBHVSA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000247601952 139152927 /nfs/dbraw/zinc/15/29/27/139152927.db2.gz UUZNCYDHCHWRNZ-LPHOPBHVSA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000247601952 139152928 /nfs/dbraw/zinc/15/29/28/139152928.db2.gz UUZNCYDHCHWRNZ-LPHOPBHVSA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000252442130 139204473 /nfs/dbraw/zinc/20/44/73/139204473.db2.gz QLNZXIGRXGRDDY-WMZOPIPTSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000252442130 139204474 /nfs/dbraw/zinc/20/44/74/139204474.db2.gz QLNZXIGRXGRDDY-WMZOPIPTSA-N 2 1 330.476 1.997 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000252442130 139204475 /nfs/dbraw/zinc/20/44/75/139204475.db2.gz QLNZXIGRXGRDDY-WMZOPIPTSA-N 2 1 330.476 1.997 10 0 EDAEMP CC1(C)CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000261780523 139225342 /nfs/dbraw/zinc/22/53/42/139225342.db2.gz MWURNQLKAKMERR-SFHVURJKSA-N 2 1 344.503 1.390 10 0 EDAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC000262304959 139268523 /nfs/dbraw/zinc/26/85/23/139268523.db2.gz PYNACCGTPOFMAK-SVGFKBNWSA-N 2 1 333.480 1.054 10 0 EDAEMP COc1cc2c(nc[nH+]c2NN2CC[NH+](C)CC2)c(OC)c1OC ZINC000169937745 533147940 /nfs/dbraw/zinc/14/79/40/533147940.db2.gz MNPSPWQUOJVDDT-UHFFFAOYSA-N 2 1 333.392 1.230 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCC[NH+](C)C2CCCC2)C[C@H]1C ZINC000117492784 221071257 /nfs/dbraw/zinc/07/12/57/221071257.db2.gz KUJDQDIZKHZCCV-OAHLLOKOSA-N 2 1 326.485 1.223 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCC[NH+](C)C2CCCC2)C[C@H]1C ZINC000117492784 221071261 /nfs/dbraw/zinc/07/12/61/221071261.db2.gz KUJDQDIZKHZCCV-OAHLLOKOSA-N 2 1 326.485 1.223 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C[C@H]1C ZINC000117492784 221071263 /nfs/dbraw/zinc/07/12/63/221071263.db2.gz KUJDQDIZKHZCCV-OAHLLOKOSA-N 2 1 326.485 1.223 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC000117492784 221071266 /nfs/dbraw/zinc/07/12/66/221071266.db2.gz KUJDQDIZKHZCCV-OAHLLOKOSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000117491856 221072001 /nfs/dbraw/zinc/07/20/01/221072001.db2.gz MCBRTJKEARBSLV-KRWDZBQOSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC000117492480 221072562 /nfs/dbraw/zinc/07/25/62/221072562.db2.gz OLNZBJYKPYWZCE-SJORKVTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC000117492480 221072564 /nfs/dbraw/zinc/07/25/64/221072564.db2.gz OLNZBJYKPYWZCE-SJORKVTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC000117492480 221072566 /nfs/dbraw/zinc/07/25/66/221072566.db2.gz OLNZBJYKPYWZCE-SJORKVTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC000117492480 221072567 /nfs/dbraw/zinc/07/25/67/221072567.db2.gz OLNZBJYKPYWZCE-SJORKVTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117472145 221067224 /nfs/dbraw/zinc/06/72/24/221067224.db2.gz CQUDSBIDNXFTEC-QGZVFWFLSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117472145 221067226 /nfs/dbraw/zinc/06/72/26/221067226.db2.gz CQUDSBIDNXFTEC-QGZVFWFLSA-N 2 1 340.512 1.471 10 0 EDAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COCc1ccccc1 ZINC000119288789 221286205 /nfs/dbraw/zinc/28/62/05/221286205.db2.gz ZFXXIOKYQIBAJG-LJQANCHMSA-N 2 1 335.492 1.133 10 0 EDAEMP COC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171973339 533362377 /nfs/dbraw/zinc/36/23/77/533362377.db2.gz BVIKIGUQJQMVQC-OALUTQOASA-N 2 1 336.476 1.371 10 0 EDAEMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCOCC2 ZINC000186278411 286489103 /nfs/dbraw/zinc/48/91/03/286489103.db2.gz CMIWUEOFFYJHGJ-SJORKVTESA-N 2 1 326.481 1.661 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000073719943 287263601 /nfs/dbraw/zinc/26/36/01/287263601.db2.gz FJZCHPPARVOMQQ-BBWFWOEESA-N 2 1 340.512 1.611 10 0 EDAEMP COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246694389 277342625 /nfs/dbraw/zinc/34/26/25/277342625.db2.gz KHRBUAGXBYOEPE-MAUKXSAKSA-N 2 1 334.460 1.925 10 0 EDAEMP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246694389 277342626 /nfs/dbraw/zinc/34/26/26/277342626.db2.gz KHRBUAGXBYOEPE-MAUKXSAKSA-N 2 1 334.460 1.925 10 0 EDAEMP CCC[C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000162803675 442123960 /nfs/dbraw/zinc/12/39/60/442123960.db2.gz QVRADAVQRWCIFP-IBGZPJMESA-N 2 1 346.519 1.997 10 0 EDAEMP C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000121269922 442197838 /nfs/dbraw/zinc/19/78/38/442197838.db2.gz ONIIHEWOAZBFLL-PMPSAXMXSA-N 2 1 340.512 1.325 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000170832065 442271640 /nfs/dbraw/zinc/27/16/40/442271640.db2.gz YEDBZSZOAXQOMB-SFHVURJKSA-N 2 1 346.475 1.364 10 0 EDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000171464007 442350990 /nfs/dbraw/zinc/35/09/90/442350990.db2.gz VXQSVROOXLEEIW-RTBURBONSA-N 2 1 344.503 1.576 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000171464007 442350991 /nfs/dbraw/zinc/35/09/91/442350991.db2.gz VXQSVROOXLEEIW-RTBURBONSA-N 2 1 344.503 1.576 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000181797212 442717323 /nfs/dbraw/zinc/71/73/23/442717323.db2.gz QKMMBFWGBWBLIF-IAGOWNOFSA-N 2 1 340.512 1.349 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000181797212 442717325 /nfs/dbraw/zinc/71/73/25/442717325.db2.gz QKMMBFWGBWBLIF-IAGOWNOFSA-N 2 1 340.512 1.349 10 0 EDAEMP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1C[C@H](C)O ZINC000248461199 442894287 /nfs/dbraw/zinc/89/42/87/442894287.db2.gz UJMWPTMYYXTOLE-HOCLYGCPSA-N 2 1 338.496 1.100 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000194662688 442933947 /nfs/dbraw/zinc/93/39/47/442933947.db2.gz FGRTWKPYCFJXTA-INIZCTEOSA-N 2 1 333.480 1.233 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000194662688 442933948 /nfs/dbraw/zinc/93/39/48/442933948.db2.gz FGRTWKPYCFJXTA-INIZCTEOSA-N 2 1 333.480 1.233 10 0 EDAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390905115 447507235 /nfs/dbraw/zinc/50/72/35/447507235.db2.gz XUHFKWFKPZQJTK-UHOSZYNNSA-N 2 1 345.487 1.782 10 0 EDAEMP C[N@@H+](CCOCCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000132961368 529923321 /nfs/dbraw/zinc/92/33/21/529923321.db2.gz HVPNECMZTNVXKO-IBGZPJMESA-N 2 1 336.476 1.373 10 0 EDAEMP CC[C@H](CC[NH3+])[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000104380137 219382587 /nfs/dbraw/zinc/38/25/87/219382587.db2.gz MAGNDMYROUTBER-GFCCVEGCSA-N 2 1 328.258 1.489 10 0 EDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1C ZINC000246669650 139117038 /nfs/dbraw/zinc/11/70/38/139117038.db2.gz HXDSXXFBNOOTEG-HOTGVXAUSA-N 2 1 349.475 1.154 10 0 EDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1C ZINC000246669650 139117039 /nfs/dbraw/zinc/11/70/39/139117039.db2.gz HXDSXXFBNOOTEG-HOTGVXAUSA-N 2 1 349.475 1.154 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246679003 139117407 /nfs/dbraw/zinc/11/74/07/139117407.db2.gz DCFWAMHABMYZDK-YVSFHVDLSA-N 2 1 339.524 1.799 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247251589 139142384 /nfs/dbraw/zinc/14/23/84/139142384.db2.gz UCDPMKUAGSDNQU-BBWFWOEESA-N 2 1 339.524 1.516 10 0 EDAEMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000248799329 139175903 /nfs/dbraw/zinc/17/59/03/139175903.db2.gz ZSENREKVWRFWEZ-OALUTQOASA-N 2 1 342.487 1.998 10 0 EDAEMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248799329 139175904 /nfs/dbraw/zinc/17/59/04/139175904.db2.gz ZSENREKVWRFWEZ-OALUTQOASA-N 2 1 342.487 1.998 10 0 EDAEMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248799329 139175905 /nfs/dbraw/zinc/17/59/05/139175905.db2.gz ZSENREKVWRFWEZ-OALUTQOASA-N 2 1 342.487 1.998 10 0 EDAEMP C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[N@H+]1CCCC[C@H]1C ZINC000262365905 139273561 /nfs/dbraw/zinc/27/35/61/139273561.db2.gz VQSSXYGZVCFMCA-SRABZTEZSA-N 2 1 333.480 1.102 10 0 EDAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)CCO1 ZINC000262392425 139275758 /nfs/dbraw/zinc/27/57/58/139275758.db2.gz YYEVSVQGVUHUAL-RGWLIJMNSA-N 2 1 349.519 1.852 10 0 EDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000171898011 227344650 /nfs/dbraw/zinc/34/46/50/227344650.db2.gz CQBMBUNGUQUNDF-SJORKVTESA-N 2 1 334.439 1.918 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000176165095 279325599 /nfs/dbraw/zinc/32/55/99/279325599.db2.gz XBZAVTSQXXEFGL-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000176165095 279325600 /nfs/dbraw/zinc/32/56/00/279325600.db2.gz XBZAVTSQXXEFGL-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000176165095 279325603 /nfs/dbraw/zinc/32/56/03/279325603.db2.gz XBZAVTSQXXEFGL-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000173748933 441833477 /nfs/dbraw/zinc/83/34/77/441833477.db2.gz HODFMIKMKGSLCG-MOPGFXCFSA-N 2 1 343.471 1.584 10 0 EDAEMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000173748933 441833481 /nfs/dbraw/zinc/83/34/81/441833481.db2.gz HODFMIKMKGSLCG-MOPGFXCFSA-N 2 1 343.471 1.584 10 0 EDAEMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173748933 441833486 /nfs/dbraw/zinc/83/34/86/441833486.db2.gz HODFMIKMKGSLCG-MOPGFXCFSA-N 2 1 343.471 1.584 10 0 EDAEMP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173748933 441833488 /nfs/dbraw/zinc/83/34/88/441833488.db2.gz HODFMIKMKGSLCG-MOPGFXCFSA-N 2 1 343.471 1.584 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000171080337 442308293 /nfs/dbraw/zinc/30/82/93/442308293.db2.gz RXHFXGYHZHLUGV-GOSISDBHSA-N 2 1 346.475 1.729 10 0 EDAEMP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC000156613026 442500686 /nfs/dbraw/zinc/50/06/86/442500686.db2.gz STBFZRJERQQPCM-SFHVURJKSA-N 2 1 333.476 1.931 10 0 EDAEMP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCOC ZINC000156613026 442500691 /nfs/dbraw/zinc/50/06/91/442500691.db2.gz STBFZRJERQQPCM-SFHVURJKSA-N 2 1 333.476 1.931 10 0 EDAEMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)[NH+]1CCOCC1 ZINC000156965859 442537678 /nfs/dbraw/zinc/53/76/78/442537678.db2.gz XQODEJQXEBVYDK-IKGGRYGDSA-N 2 1 340.512 1.371 10 0 EDAEMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)[NH+]1CCOCC1 ZINC000156965859 442537682 /nfs/dbraw/zinc/53/76/82/442537682.db2.gz XQODEJQXEBVYDK-IKGGRYGDSA-N 2 1 340.512 1.371 10 0 EDAEMP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247120744 442836964 /nfs/dbraw/zinc/83/69/64/442836964.db2.gz NWZBLRPUXCIOKT-OAGGEKHMSA-N 2 1 326.485 1.079 10 0 EDAEMP COC[C@@]1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638303464 451417404 /nfs/dbraw/zinc/41/74/04/451417404.db2.gz YMICXRDLWAXSLR-VQIMIIECSA-N 2 1 333.476 1.782 10 0 EDAEMP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1COCC[NH2+]1 ZINC000662918556 453603689 /nfs/dbraw/zinc/60/36/89/453603689.db2.gz FELLBXDIXDNORG-QZTJIDSGSA-N 2 1 343.471 1.393 10 0 EDAEMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1COCC[NH2+]1 ZINC000662918556 453603692 /nfs/dbraw/zinc/60/36/92/453603692.db2.gz FELLBXDIXDNORG-QZTJIDSGSA-N 2 1 343.471 1.393 10 0 EDAEMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283544 453635108 /nfs/dbraw/zinc/63/51/08/453635108.db2.gz PMZOPSZLXWVEDV-YSIASYRMSA-N 2 1 330.520 1.780 10 0 EDAEMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665283544 453635112 /nfs/dbraw/zinc/63/51/12/453635112.db2.gz PMZOPSZLXWVEDV-YSIASYRMSA-N 2 1 330.520 1.780 10 0 EDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175034643 529304923 /nfs/dbraw/zinc/30/49/23/529304923.db2.gz QWPNILGPUCVPJM-ZWKOTPCHSA-N 2 1 336.524 1.534 10 0 EDAEMP COC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000053972046 214207771 /nfs/dbraw/zinc/20/77/71/214207771.db2.gz BNKDQBFKZMGRAX-UONOGXRCSA-N 2 1 331.254 1.778 10 0 EDAEMP C[NH+]1CCN([C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000171471014 529776387 /nfs/dbraw/zinc/77/63/87/529776387.db2.gz DZVJJAYLYBUFAZ-MOPGFXCFSA-N 2 1 342.487 1.282 10 0 EDAEMP C[NH+]1CCN([C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000171471014 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CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261815260 139228453 /nfs/dbraw/zinc/22/84/53/139228453.db2.gz XGUOAUYSHJSQNB-QGZVFWFLSA-N 2 1 349.475 1.769 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117486156 285042005 /nfs/dbraw/zinc/04/20/05/285042005.db2.gz RXHNONBACKCJAD-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117486156 285042008 /nfs/dbraw/zinc/04/20/08/285042008.db2.gz RXHNONBACKCJAD-DLBZAZTESA-N 2 1 340.512 1.469 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000117492392 221071368 /nfs/dbraw/zinc/07/13/68/221071368.db2.gz ZSCRUVRYNPVPBO-HUUCEWRRSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000117492392 221071371 /nfs/dbraw/zinc/07/13/71/221071371.db2.gz ZSCRUVRYNPVPBO-HUUCEWRRSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000117492392 221071375 /nfs/dbraw/zinc/07/13/75/221071375.db2.gz ZSCRUVRYNPVPBO-HUUCEWRRSA-N 2 1 326.485 1.221 10 0 EDAEMP COc1cccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000171898023 227345152 /nfs/dbraw/zinc/34/51/52/227345152.db2.gz HUVACTLQMRKQEP-AEFFLSMTSA-N 2 1 346.475 1.788 10 0 EDAEMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171902997 227350053 /nfs/dbraw/zinc/35/00/53/227350053.db2.gz VVYPWZZZFKFADS-GOSISDBHSA-N 2 1 343.475 1.536 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000194145413 273000769 /nfs/dbraw/zinc/00/07/69/273000769.db2.gz SYJFCRVVLPZCDW-SFHVURJKSA-N 2 1 330.476 1.828 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000194145413 273000770 /nfs/dbraw/zinc/00/07/70/273000770.db2.gz SYJFCRVVLPZCDW-SFHVURJKSA-N 2 1 330.476 1.828 10 0 EDAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000194145413 273000771 /nfs/dbraw/zinc/00/07/71/273000771.db2.gz SYJFCRVVLPZCDW-SFHVURJKSA-N 2 1 330.476 1.828 10 0 EDAEMP 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ZINC000246155810 279271167 /nfs/dbraw/zinc/27/11/67/279271167.db2.gz PTVIJFDDTISDLL-BRWVUGGUSA-N 2 1 338.496 1.223 10 0 EDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246155810 279271168 /nfs/dbraw/zinc/27/11/68/279271168.db2.gz PTVIJFDDTISDLL-BRWVUGGUSA-N 2 1 338.496 1.223 10 0 EDAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCO1 ZINC000174922335 441984373 /nfs/dbraw/zinc/98/43/73/441984373.db2.gz QVDHKUPYPAWPNJ-RBUKOAKNSA-N 2 1 345.487 1.830 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000170855233 442275915 /nfs/dbraw/zinc/27/59/15/442275915.db2.gz RYDSDYZOYMATGT-SJORKVTESA-N 2 1 333.501 1.939 10 0 EDAEMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000192754714 442683232 /nfs/dbraw/zinc/68/32/32/442683232.db2.gz QXWDXTVWTBKLDE-OALUTQOASA-N 2 1 338.540 1.055 10 0 EDAEMP CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000181974261 442724305 /nfs/dbraw/zinc/72/43/05/442724305.db2.gz FHBKYRBPSBJLRM-IRXDYDNUSA-N 2 1 340.512 1.062 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000181974261 442724307 /nfs/dbraw/zinc/72/43/07/442724307.db2.gz FHBKYRBPSBJLRM-IRXDYDNUSA-N 2 1 340.512 1.062 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000181974261 442724310 /nfs/dbraw/zinc/72/43/10/442724310.db2.gz FHBKYRBPSBJLRM-IRXDYDNUSA-N 2 1 340.512 1.062 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000248446663 442892172 /nfs/dbraw/zinc/89/21/72/442892172.db2.gz CRRGHVVRTVRGLQ-BQJWPVKWSA-N 2 1 325.497 1.551 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000248446663 442892176 /nfs/dbraw/zinc/89/21/76/442892176.db2.gz CRRGHVVRTVRGLQ-BQJWPVKWSA-N 2 1 325.497 1.551 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000248446663 442892181 /nfs/dbraw/zinc/89/21/81/442892181.db2.gz CRRGHVVRTVRGLQ-BQJWPVKWSA-N 2 1 325.497 1.551 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000248446663 442892184 /nfs/dbraw/zinc/89/21/84/442892184.db2.gz CRRGHVVRTVRGLQ-BQJWPVKWSA-N 2 1 325.497 1.551 10 0 EDAEMP C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643792734 452658735 /nfs/dbraw/zinc/65/87/35/452658735.db2.gz QCXLEGXURYZILY-CGTJXYLNSA-N 2 1 331.460 1.249 10 0 EDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000121640845 596404269 /nfs/dbraw/zinc/40/42/69/596404269.db2.gz VHSKMJIGALBRCI-HRCADAONSA-N 2 1 328.501 1.467 10 0 EDAEMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000131743337 597734164 /nfs/dbraw/zinc/73/41/64/597734164.db2.gz LTDFOKIVUUUWNT-GJZGRUSLSA-N 2 1 327.469 1.432 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000174352747 231186077 /nfs/dbraw/zinc/18/60/77/231186077.db2.gz UNUWTEYUYOPLRO-QGZVFWFLSA-N 2 1 342.528 1.857 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000174352747 231186079 /nfs/dbraw/zinc/18/60/79/231186079.db2.gz UNUWTEYUYOPLRO-QGZVFWFLSA-N 2 1 342.528 1.857 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000114456480 138310320 /nfs/dbraw/zinc/31/03/20/138310320.db2.gz CDVANPYAWOCZBA-QGZVFWFLSA-N 2 1 333.480 1.546 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000114456480 138310321 /nfs/dbraw/zinc/31/03/21/138310321.db2.gz CDVANPYAWOCZBA-QGZVFWFLSA-N 2 1 333.480 1.546 10 0 EDAEMP CC[N@H+](CCc1nc2cc(OC)ccc2[nH]1)C[C@]1(O)CCC[NH2+]C1 ZINC000072439532 216233858 /nfs/dbraw/zinc/23/38/58/216233858.db2.gz DNVXFWFKLJQBMP-SFHVURJKSA-N 2 1 332.448 1.550 10 0 EDAEMP CC[N@@H+](CCc1nc2cc(OC)ccc2[nH]1)C[C@]1(O)CCC[NH2+]C1 ZINC000072439532 216233860 /nfs/dbraw/zinc/23/38/60/216233860.db2.gz DNVXFWFKLJQBMP-SFHVURJKSA-N 2 1 332.448 1.550 10 0 EDAEMP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)[nH+]c1 ZINC000195337396 139014819 /nfs/dbraw/zinc/01/48/19/139014819.db2.gz JJBYETANBUDMIN-QGZVFWFLSA-N 2 1 328.460 1.913 10 0 EDAEMP Cc1ccc(N2CCC(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)[nH+]c1 ZINC000195337396 139014820 /nfs/dbraw/zinc/01/48/20/139014820.db2.gz JJBYETANBUDMIN-QGZVFWFLSA-N 2 1 328.460 1.913 10 0 EDAEMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999199 255339277 /nfs/dbraw/zinc/33/92/77/255339277.db2.gz UGQKLSGRHXLHAF-GRDNDAEWSA-N 2 1 327.469 1.288 10 0 EDAEMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495999199 255339278 /nfs/dbraw/zinc/33/92/78/255339278.db2.gz UGQKLSGRHXLHAF-GRDNDAEWSA-N 2 1 327.469 1.288 10 0 EDAEMP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000117031861 221025333 /nfs/dbraw/zinc/02/53/33/221025333.db2.gz NWZBLRPUXCIOKT-OWCLPIDISA-N 2 1 326.485 1.079 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000333472107 141322818 /nfs/dbraw/zinc/32/28/18/141322818.db2.gz AKZVZDWMKRVPHU-SPUZQDLCSA-N 2 1 330.476 1.851 10 0 EDAEMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000123363783 222264043 /nfs/dbraw/zinc/26/40/43/222264043.db2.gz CREPENHUNITHJE-MOPGFXCFSA-N 2 1 347.503 1.528 10 0 EDAEMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000123363783 222264046 /nfs/dbraw/zinc/26/40/46/222264046.db2.gz CREPENHUNITHJE-MOPGFXCFSA-N 2 1 347.503 1.528 10 0 EDAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916797 441389970 /nfs/dbraw/zinc/38/99/70/441389970.db2.gz OHQLYQBSPFVWHW-QZTJIDSGSA-N 2 1 333.476 1.386 10 0 EDAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916797 441389972 /nfs/dbraw/zinc/38/99/72/441389972.db2.gz OHQLYQBSPFVWHW-QZTJIDSGSA-N 2 1 333.476 1.386 10 0 EDAEMP CC(C)[N@@H+](C)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114415692 441655129 /nfs/dbraw/zinc/65/51/29/441655129.db2.gz NDGSQSOXPOSARL-UHFFFAOYSA-N 2 1 333.480 1.132 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@H]1CC ZINC000117045935 441862543 /nfs/dbraw/zinc/86/25/43/441862543.db2.gz MDECEKZBRLQKDW-HZPDHXFCSA-N 2 1 340.512 1.611 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@H]1CC ZINC000117045935 441862550 /nfs/dbraw/zinc/86/25/50/441862550.db2.gz MDECEKZBRLQKDW-HZPDHXFCSA-N 2 1 340.512 1.611 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1CC ZINC000117045935 441862556 /nfs/dbraw/zinc/86/25/56/441862556.db2.gz MDECEKZBRLQKDW-HZPDHXFCSA-N 2 1 340.512 1.611 10 0 EDAEMP C[C@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175668275 442102450 /nfs/dbraw/zinc/10/24/50/442102450.db2.gz QFKFVEGRCBYBKN-IRXDYDNUSA-N 2 1 338.496 1.080 10 0 EDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000177502281 442350287 /nfs/dbraw/zinc/35/02/87/442350287.db2.gz XVLGSWTYLCAPBW-CQSZACIVSA-N 2 1 329.485 1.536 10 0 EDAEMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCOCC2 ZINC000186278394 442502973 /nfs/dbraw/zinc/50/29/73/442502973.db2.gz CMIWUEOFFYJHGJ-IAGOWNOFSA-N 2 1 326.481 1.661 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC[N@H+]1CCOC ZINC000247274322 442844265 /nfs/dbraw/zinc/84/42/65/442844265.db2.gz ZSCRUVRYNPVPBO-LSDHHAIUSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC[NH+]1CCOC ZINC000247274322 442844270 /nfs/dbraw/zinc/84/42/70/442844270.db2.gz ZSCRUVRYNPVPBO-LSDHHAIUSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC[NH+]1CCOC ZINC000247274322 442844275 /nfs/dbraw/zinc/84/42/75/442844275.db2.gz ZSCRUVRYNPVPBO-LSDHHAIUSA-N 2 1 326.485 1.221 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000184945205 443103947 /nfs/dbraw/zinc/10/39/47/443103947.db2.gz IOFKMIZWEGELBO-SFHVURJKSA-N 2 1 348.491 1.217 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000184945205 443103949 /nfs/dbraw/zinc/10/39/49/443103949.db2.gz IOFKMIZWEGELBO-SFHVURJKSA-N 2 1 348.491 1.217 10 0 EDAEMP COc1ccnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1OC ZINC000190524293 443127554 /nfs/dbraw/zinc/12/75/54/443127554.db2.gz OSUYBPVSUXIAIH-AWEZNQCLSA-N 2 1 337.464 1.623 10 0 EDAEMP COCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000386286661 447469893 /nfs/dbraw/zinc/46/98/93/447469893.db2.gz GEOLNANDJTYFPQ-MTQWCTHYSA-N 2 1 348.487 1.511 10 0 EDAEMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000653202369 453396533 /nfs/dbraw/zinc/39/65/33/453396533.db2.gz KIRULZUIGVONKQ-NTDBWNAOSA-N 2 1 345.487 1.732 10 0 EDAEMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000653202368 453396749 /nfs/dbraw/zinc/39/67/49/453396749.db2.gz KIRULZUIGVONKQ-IMBTUZDBSA-N 2 1 345.487 1.732 10 0 EDAEMP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247029774 535061980 /nfs/dbraw/zinc/06/19/80/535061980.db2.gz DCDKXERBBODUGB-JKSUJKDBSA-N 2 1 327.513 1.706 10 0 EDAEMP 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139037642 /nfs/dbraw/zinc/03/76/42/139037642.db2.gz ZHTANBRYNADZQV-WBVHZDCISA-N 2 1 348.466 1.825 10 0 EDAEMP CC[C@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000117482005 221070487 /nfs/dbraw/zinc/07/04/87/221070487.db2.gz LNTPMMZBGZLHES-SJORKVTESA-N 2 1 340.512 1.471 10 0 EDAEMP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862483 441294499 /nfs/dbraw/zinc/29/44/99/441294499.db2.gz JMSZAMVGFGLMOU-CVEARBPZSA-N 2 1 327.513 1.562 10 0 EDAEMP Cc1cc(NC(=O)CC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862288 441294409 /nfs/dbraw/zinc/29/44/09/441294409.db2.gz XABLXMBXZCXMDX-CYBMUJFWSA-N 2 1 338.452 1.336 10 0 EDAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175840488 442132799 /nfs/dbraw/zinc/13/27/99/442132799.db2.gz FNGBMADTKXIUJX-NCOADZHNSA-N 2 1 338.496 1.221 10 0 EDAEMP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000178272397 442420453 /nfs/dbraw/zinc/42/04/53/442420453.db2.gz GIKXGXTVNVHBBB-OAHLLOKOSA-N 2 1 334.439 1.531 10 0 EDAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000172239909 442428314 /nfs/dbraw/zinc/42/83/14/442428314.db2.gz GAOFGAYGOUHLCB-GVDBMIGSSA-N 2 1 338.496 1.221 10 0 EDAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000172239909 442428317 /nfs/dbraw/zinc/42/83/17/442428317.db2.gz GAOFGAYGOUHLCB-GVDBMIGSSA-N 2 1 338.496 1.221 10 0 EDAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000172239909 442428319 /nfs/dbraw/zinc/42/83/19/442428319.db2.gz GAOFGAYGOUHLCB-GVDBMIGSSA-N 2 1 338.496 1.221 10 0 EDAEMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000390723366 447496792 /nfs/dbraw/zinc/49/67/92/447496792.db2.gz PBMAZQWOQYBWKW-GOSISDBHSA-N 2 1 344.503 1.451 10 0 EDAEMP C[C@@H]1OCC[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638169275 451333570 /nfs/dbraw/zinc/33/35/70/451333570.db2.gz KSTMLXZLTQEIHB-RDJZCZTQSA-N 2 1 331.460 1.664 10 0 EDAEMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000163815722 534600231 /nfs/dbraw/zinc/60/02/31/534600231.db2.gz IUKJBUSERNJDOZ-MJGOQNOKSA-N 2 1 339.439 1.207 10 0 EDAEMP C[NH+](C)C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000125059317 535941517 /nfs/dbraw/zinc/94/15/17/535941517.db2.gz FAQVKJCCPISYGJ-QGZVFWFLSA-N 2 1 334.464 1.311 10 0 EDAEMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc(C[NH3+])c3)CC[C@@H]21 ZINC000166861757 530058827 /nfs/dbraw/zinc/05/88/27/530058827.db2.gz DWQYWSNBHMCCKH-RISCZKNCSA-N 2 1 329.491 1.312 10 0 EDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132018609 138370133 /nfs/dbraw/zinc/37/01/33/138370133.db2.gz VRXDINSHLXSYIV-RBUKOAKNSA-N 2 1 347.503 1.980 10 0 EDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132018609 138370136 /nfs/dbraw/zinc/37/01/36/138370136.db2.gz VRXDINSHLXSYIV-RBUKOAKNSA-N 2 1 347.503 1.980 10 0 EDAEMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCn1cccn1)CC[NH+](C)CC2 ZINC000072433530 283318059 /nfs/dbraw/zinc/31/80/59/283318059.db2.gz XZIDKONVKCKAFP-INIZCTEOSA-N 2 1 333.480 1.196 10 0 EDAEMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000247079332 139134699 /nfs/dbraw/zinc/13/46/99/139134699.db2.gz LIGQSRPBDKYBPV-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1 ZINC000247079332 139134700 /nfs/dbraw/zinc/13/47/00/139134700.db2.gz LIGQSRPBDKYBPV-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247079332 139134701 /nfs/dbraw/zinc/13/47/01/139134701.db2.gz LIGQSRPBDKYBPV-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247079332 139134702 /nfs/dbraw/zinc/13/47/02/139134702.db2.gz LIGQSRPBDKYBPV-HOTGVXAUSA-N 2 1 326.485 1.223 10 0 EDAEMP C[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247120676 139136540 /nfs/dbraw/zinc/13/65/40/139136540.db2.gz JREJQXOHAYEHOF-IXDOHACOSA-N 2 1 347.507 1.716 10 0 EDAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247260961 139143010 /nfs/dbraw/zinc/14/30/10/139143010.db2.gz YMNVJNDLIFFFJC-OAGGEKHMSA-N 2 1 326.485 1.079 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249512471 139194574 /nfs/dbraw/zinc/19/45/74/139194574.db2.gz USAPUWVDKKPEOY-IXDOHACOSA-N 2 1 342.528 1.761 10 0 EDAEMP COC(=O)[C@H](c1ccccc1)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000117880175 221095548 /nfs/dbraw/zinc/09/55/48/221095548.db2.gz KHRBUAGXBYOEPE-QAPCUYQASA-N 2 1 334.460 1.925 10 0 EDAEMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000117880175 221095551 /nfs/dbraw/zinc/09/55/51/221095551.db2.gz KHRBUAGXBYOEPE-QAPCUYQASA-N 2 1 334.460 1.925 10 0 EDAEMP C[NH+](C)C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000171949613 227379854 /nfs/dbraw/zinc/37/98/54/227379854.db2.gz NXQYLGJOUYUVDL-GOSISDBHSA-N 2 1 333.476 1.908 10 0 EDAEMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171902998 227350957 /nfs/dbraw/zinc/35/09/57/227350957.db2.gz VVYPWZZZFKFADS-SFHVURJKSA-N 2 1 343.475 1.536 10 0 EDAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247215202 276283565 /nfs/dbraw/zinc/28/35/65/276283565.db2.gz QAODQWTVGRLMQB-HRCADAONSA-N 2 1 327.513 1.704 10 0 EDAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000105845663 441292382 /nfs/dbraw/zinc/29/23/82/441292382.db2.gz QZZMSEAIUNWZHR-HXUWFJFHSA-N 2 1 331.504 1.956 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)CC1 ZINC000105862361 441293552 /nfs/dbraw/zinc/29/35/52/441293552.db2.gz FAZJGZMKLYYYRC-HNNXBMFYSA-N 2 1 344.459 1.219 10 0 EDAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000116792647 441847719 /nfs/dbraw/zinc/84/77/19/441847719.db2.gz PTCKYWYZEHDFFE-RTBURBONSA-N 2 1 345.487 1.688 10 0 EDAEMP C[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175668259 442103266 /nfs/dbraw/zinc/10/32/66/442103266.db2.gz 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ZINC000638116916 451285342 /nfs/dbraw/zinc/28/53/42/451285342.db2.gz QNJSSBKXZQRRNT-NJAFHUGGSA-N 2 1 330.476 1.141 10 0 EDAEMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 ZINC000657632712 452406771 /nfs/dbraw/zinc/40/67/71/452406771.db2.gz YDJOQCMHYMOLTR-KXBFYZLASA-N 2 1 339.443 1.852 10 0 EDAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000247274847 535520884 /nfs/dbraw/zinc/52/08/84/535520884.db2.gz RQQZNLLLPNASGQ-BBWFWOEESA-N 2 1 340.512 1.469 10 0 EDAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000246438509 536165973 /nfs/dbraw/zinc/16/59/73/536165973.db2.gz UBAYWOLBUAIMNZ-IRXDYDNUSA-N 2 1 338.496 1.367 10 0 EDAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262706563 139297740 /nfs/dbraw/zinc/29/77/40/139297740.db2.gz MNGVYBWAOONMIH-DOTOQJQBSA-N 2 1 327.513 1.957 10 0 EDAEMP C[NH+](C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262838028 139307030 /nfs/dbraw/zinc/30/70/30/139307030.db2.gz 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CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117495552 221072206 /nfs/dbraw/zinc/07/22/06/221072206.db2.gz LIGQSRPBDKYBPV-CVEARBPZSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117495552 221072209 /nfs/dbraw/zinc/07/22/09/221072209.db2.gz LIGQSRPBDKYBPV-CVEARBPZSA-N 2 1 326.485 1.223 10 0 EDAEMP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000117473732 221068251 /nfs/dbraw/zinc/06/82/51/221068251.db2.gz OEXKJXWIGZVABJ-INIZCTEOSA-N 2 1 338.496 1.365 10 0 EDAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)C1(C)C ZINC000249063598 286305668 /nfs/dbraw/zinc/30/56/68/286305668.db2.gz HVDFHDYQIZJTQV-IIDMSEBBSA-N 2 1 341.496 1.088 10 0 EDAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)C1(C)C ZINC000249063598 286305670 /nfs/dbraw/zinc/30/56/70/286305670.db2.gz HVDFHDYQIZJTQV-IIDMSEBBSA-N 2 1 341.496 1.088 10 0 EDAEMP C[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000175694617 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331.460 1.440 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000173977839 441873822 /nfs/dbraw/zinc/87/38/22/441873822.db2.gz NEQZGDHRGMUYGS-MSOLQXFVSA-N 2 1 331.460 1.440 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000121094666 442176920 /nfs/dbraw/zinc/17/69/20/442176920.db2.gz OOZSMLLARKPTKF-AWEZNQCLSA-N 2 1 336.480 1.241 10 0 EDAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000178287946 442421480 /nfs/dbraw/zinc/42/14/80/442421480.db2.gz WNCAQDUSOSFDFO-SFHVURJKSA-N 2 1 347.507 1.645 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000178287946 442421481 /nfs/dbraw/zinc/42/14/81/442421481.db2.gz WNCAQDUSOSFDFO-SFHVURJKSA-N 3 1 347.507 1.645 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000178287946 442421482 /nfs/dbraw/zinc/42/14/82/442421482.db2.gz WNCAQDUSOSFDFO-SFHVURJKSA-N 3 1 347.507 1.645 10 0 EDAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247174695 442839200 /nfs/dbraw/zinc/83/92/00/442839200.db2.gz RKUXHCZGHAOCIX-YVSFHVDLSA-N 2 1 340.512 1.325 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000182896895 442843775 /nfs/dbraw/zinc/84/37/75/442843775.db2.gz ZJGMHRCOOBORDE-ROUUACIJSA-N 2 1 346.475 1.099 10 0 EDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248462338 442895166 /nfs/dbraw/zinc/89/51/66/442895166.db2.gz VYYLLWLLCPIKKJ-JYJNAYRXSA-N 2 1 328.501 1.203 10 0 EDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248462338 442895170 /nfs/dbraw/zinc/89/51/70/442895170.db2.gz VYYLLWLLCPIKKJ-JYJNAYRXSA-N 2 1 328.501 1.203 10 0 EDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248462338 442895172 /nfs/dbraw/zinc/89/51/72/442895172.db2.gz VYYLLWLLCPIKKJ-JYJNAYRXSA-N 2 1 328.501 1.203 10 0 EDAEMP CC(C)[N@H+]1C[C@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000248718969 442920705 /nfs/dbraw/zinc/92/07/05/442920705.db2.gz OEFKQGUYPPKSIQ-BBWFWOEESA-N 2 1 339.528 1.040 10 0 EDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000248718969 442920710 /nfs/dbraw/zinc/92/07/10/442920710.db2.gz OEFKQGUYPPKSIQ-BBWFWOEESA-N 2 1 339.528 1.040 10 0 EDAEMP CC(C)[N@H+]1C[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000248718969 442920716 /nfs/dbraw/zinc/92/07/16/442920716.db2.gz OEFKQGUYPPKSIQ-BBWFWOEESA-N 2 1 339.528 1.040 10 0 EDAEMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000190907768 443207450 /nfs/dbraw/zinc/20/74/50/443207450.db2.gz JMTBBRDFJCIZRV-MUYFXNHWSA-N 2 1 338.492 1.889 10 0 EDAEMP CC[C@@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000246223949 443280455 /nfs/dbraw/zinc/28/04/55/443280455.db2.gz GYSIHPBDFMWHOK-YLFCFFPRSA-N 2 1 325.497 1.316 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[NH+]1CCOC 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LSCUFMCGJLXMKY-HIFRSBDPSA-N 2 1 325.403 1.868 10 0 EDAEMP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000864372492 596873037 /nfs/dbraw/zinc/87/30/37/596873037.db2.gz BKMRBSVQURTOCC-GOEBONIOSA-N 2 1 327.432 1.723 10 0 EDAEMP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)CCn1cccn1)CC[NH+](C)CC2 ZINC000072428086 203223415 /nfs/dbraw/zinc/22/34/15/203223415.db2.gz SXXWHVLUKWJIBZ-QGZVFWFLSA-N 2 1 347.507 1.538 10 0 EDAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000245422664 139073641 /nfs/dbraw/zinc/07/36/41/139073641.db2.gz ADHKKVYDCOCSCR-RBUKOAKNSA-N 2 1 345.487 1.830 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000245422664 139073642 /nfs/dbraw/zinc/07/36/42/139073642.db2.gz ADHKKVYDCOCSCR-RBUKOAKNSA-N 2 1 345.487 1.830 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000245422664 139073643 /nfs/dbraw/zinc/07/36/43/139073643.db2.gz ADHKKVYDCOCSCR-RBUKOAKNSA-N 2 1 345.487 1.830 10 0 EDAEMP 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C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262373406 139274039 /nfs/dbraw/zinc/27/40/39/139274039.db2.gz LZJYHSCGPNBRBP-OWCLPIDISA-N 2 1 345.487 1.768 10 0 EDAEMP CC[C@H]1CN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[N@H+]1CCOC ZINC000117480581 221070665 /nfs/dbraw/zinc/07/06/65/221070665.db2.gz SFOGYGUJVVMLQO-IRXDYDNUSA-N 2 1 342.528 1.715 10 0 EDAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862494 441294070 /nfs/dbraw/zinc/29/40/70/441294070.db2.gz QAODQWTVGRLMQB-XHSDSOJGSA-N 2 1 327.513 1.704 10 0 EDAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000176625369 442241091 /nfs/dbraw/zinc/24/10/91/442241091.db2.gz CYVSRKOPGYJGEG-KRWDZBQOSA-N 2 1 338.496 1.365 10 0 EDAEMP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178319673 442424326 /nfs/dbraw/zinc/42/43/26/442424326.db2.gz FTMQXAQESNDTSC-KRWDZBQOSA-N 2 1 342.443 1.981 10 0 EDAEMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178319673 442424329 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RKUXHCZGHAOCIX-TWMKSMIVSA-N 2 1 340.512 1.325 10 0 EDAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000249782207 443004848 /nfs/dbraw/zinc/00/48/48/443004848.db2.gz QCJPDIIRBWOLKJ-BRWVUGGUSA-N 2 1 340.512 1.253 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000184697437 443061647 /nfs/dbraw/zinc/06/16/47/443061647.db2.gz FLJYYIDYXQGCQS-IAGOWNOFSA-N 2 1 342.528 1.592 10 0 EDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000185049612 443125350 /nfs/dbraw/zinc/12/53/50/443125350.db2.gz VYYLLWLLCPIKKJ-ARFHVFGLSA-N 2 1 328.501 1.203 10 0 EDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000185049612 443125352 /nfs/dbraw/zinc/12/53/52/443125352.db2.gz VYYLLWLLCPIKKJ-ARFHVFGLSA-N 2 1 328.501 1.203 10 0 EDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000185049612 443125356 /nfs/dbraw/zinc/12/53/56/443125356.db2.gz VYYLLWLLCPIKKJ-ARFHVFGLSA-N 2 1 328.501 1.203 10 0 EDAEMP 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ASNKRIVLAGRIIT-SFHVURJKSA-N 2 1 330.476 1.998 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000052594585 441462955 /nfs/dbraw/zinc/46/29/55/441462955.db2.gz ASNKRIVLAGRIIT-SFHVURJKSA-N 2 1 330.476 1.998 10 0 EDAEMP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000175620255 442094906 /nfs/dbraw/zinc/09/49/06/442094906.db2.gz RINVYVBNGPMXIY-WBVHZDCISA-N 2 1 338.496 1.221 10 0 EDAEMP COCC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000176623059 442240978 /nfs/dbraw/zinc/24/09/78/442240978.db2.gz TZMVVVMBUWHRFT-HOCLYGCPSA-N 2 1 326.485 1.125 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000171901984 442388577 /nfs/dbraw/zinc/38/85/77/442388577.db2.gz XOJCSNUUCRNBRX-GOEBONIOSA-N 2 1 348.516 1.984 10 0 EDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000171901984 442388578 /nfs/dbraw/zinc/38/85/78/442388578.db2.gz XOJCSNUUCRNBRX-GOEBONIOSA-N 2 1 348.516 1.984 10 0 EDAEMP 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CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000194162441 442855429 /nfs/dbraw/zinc/85/54/29/442855429.db2.gz AZLZEXFZOFLWBM-MSOLQXFVSA-N 2 1 332.492 1.943 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000249773221 443004692 /nfs/dbraw/zinc/00/46/92/443004692.db2.gz UNZAXCTUPLKLBY-IAGOWNOFSA-N 2 1 339.528 1.042 10 0 EDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000249773221 443004696 /nfs/dbraw/zinc/00/46/96/443004696.db2.gz UNZAXCTUPLKLBY-IAGOWNOFSA-N 2 1 339.528 1.042 10 0 EDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000249773221 443004700 /nfs/dbraw/zinc/00/47/00/443004700.db2.gz UNZAXCTUPLKLBY-IAGOWNOFSA-N 2 1 339.528 1.042 10 0 EDAEMP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C[C@H](C)O ZINC000245435932 443227593 /nfs/dbraw/zinc/22/75/93/443227593.db2.gz QSUQVZXPIQDTMB-MAUKXSAKSA-N 2 1 333.476 1.665 10 0 EDAEMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3nccn31)C2 ZINC000888098035 591027176 /nfs/dbraw/zinc/02/71/76/591027176.db2.gz YBFJZLGENJUYAU-PSBWJHGTSA-N 2 1 328.460 1.904 10 0 EDAEMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C[C@@H]1C ZINC000122309576 596313501 /nfs/dbraw/zinc/31/35/01/596313501.db2.gz KFPGDDMGLUSUFI-BBWFWOEESA-N 2 1 342.528 1.713 10 0 EDAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cccs2)C1 ZINC000246129536 139095898 /nfs/dbraw/zinc/09/58/98/139095898.db2.gz QZJZMAHVKBAZDI-CABCVRRESA-N 2 1 339.505 1.872 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@@H]1CC ZINC000117045937 221028316 /nfs/dbraw/zinc/02/83/16/221028316.db2.gz MDECEKZBRLQKDW-CVEARBPZSA-N 2 1 340.512 1.611 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1CC ZINC000117045937 221028319 /nfs/dbraw/zinc/02/83/19/221028319.db2.gz MDECEKZBRLQKDW-CVEARBPZSA-N 2 1 340.512 1.611 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1CC ZINC000117045937 221028320 /nfs/dbraw/zinc/02/83/20/221028320.db2.gz MDECEKZBRLQKDW-CVEARBPZSA-N 2 1 340.512 1.611 10 0 EDAEMP C[NH+]1CCN(C2=c3ccccc3=[NH+]c3ccc(Cl)cc3N2O)CC1 ZINC000031880687 273896728 /nfs/dbraw/zinc/89/67/28/273896728.db2.gz YWSTWDVPYHSYLN-UHFFFAOYSA-N 2 1 342.830 1.814 10 0 in-vitro EDAEMP CS[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000333068250 274187171 /nfs/dbraw/zinc/18/71/71/274187171.db2.gz CBWFDAQRLDLGQN-GJZGRUSLSA-N 2 1 344.488 1.987 10 0 EDAEMP C[NH+]1CCN([C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c2ccccc2)CC1 ZINC000261774502 276929680 /nfs/dbraw/zinc/92/96/80/276929680.db2.gz FVPIWJNZJWULQE-ROUUACIJSA-N 2 1 344.503 1.561 10 0 EDAEMP C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000116978182 278194193 /nfs/dbraw/zinc/19/41/93/278194193.db2.gz ZCTPFZIJWUGSRT-MAUKXSAKSA-N 2 1 331.460 1.222 10 0 EDAEMP C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000116978182 278194195 /nfs/dbraw/zinc/19/41/95/278194195.db2.gz ZCTPFZIJWUGSRT-MAUKXSAKSA-N 2 1 331.460 1.222 10 0 EDAEMP C[NH+](C)CCCN1C(=O)CC[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000012026814 441126278 /nfs/dbraw/zinc/12/62/78/441126278.db2.gz BDXWITKYJZRJKT-MSOLQXFVSA-N 2 1 330.476 1.846 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000178753012 442475351 /nfs/dbraw/zinc/47/53/51/442475351.db2.gz QKIGTMSTWSXAEA-OAHLLOKOSA-N 2 1 333.436 1.424 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000178753012 442475354 /nfs/dbraw/zinc/47/53/54/442475354.db2.gz QKIGTMSTWSXAEA-OAHLLOKOSA-N 2 1 333.436 1.424 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000181778867 442715686 /nfs/dbraw/zinc/71/56/86/442715686.db2.gz HUVWJAWCAKDNTP-HOTGVXAUSA-N 2 1 342.528 1.451 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000248463918 442895724 /nfs/dbraw/zinc/89/57/24/442895724.db2.gz YCYAESVXNBDYAC-BRWVUGGUSA-N 2 1 340.512 1.347 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1C[C@H](C)O ZINC000248508352 442898478 /nfs/dbraw/zinc/89/84/78/442898478.db2.gz YBSLCSAOCOJPFF-JKSUJKDBSA-N 2 1 340.512 1.347 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1C[C@H](C)O ZINC000248508352 442898480 /nfs/dbraw/zinc/89/84/80/442898480.db2.gz YBSLCSAOCOJPFF-JKSUJKDBSA-N 2 1 340.512 1.347 10 0 EDAEMP CC[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1C[C@H](C)O ZINC000248508352 442898483 /nfs/dbraw/zinc/89/84/83/442898483.db2.gz YBSLCSAOCOJPFF-JKSUJKDBSA-N 2 1 340.512 1.347 10 0 EDAEMP CC(C)[NH+](CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)C(C)C ZINC000185219116 443164238 /nfs/dbraw/zinc/16/42/38/443164238.db2.gz ICNLFCXQHGWAQC-JKSUJKDBSA-N 2 1 328.501 1.202 10 0 EDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744517 453473587 /nfs/dbraw/zinc/47/35/87/453473587.db2.gz PFSGVWLFKVKRIY-IPMKNSEASA-N 2 1 344.503 1.436 10 0 EDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744517 453473592 /nfs/dbraw/zinc/47/35/92/453473592.db2.gz PFSGVWLFKVKRIY-IPMKNSEASA-N 2 1 344.503 1.436 10 0 EDAEMP CC[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1CCOC ZINC000184235682 529361302 /nfs/dbraw/zinc/36/13/02/529361302.db2.gz YMXXQTCFMRQADN-MRXNPFEDSA-N 2 1 325.497 1.855 10 0 EDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000123787976 535643453 /nfs/dbraw/zinc/64/34/53/535643453.db2.gz SFAJTWSTJPIPPF-HNNXBMFYSA-N 2 1 327.517 1.042 10 0 EDAEMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000131743756 597734549 /nfs/dbraw/zinc/73/45/49/597734549.db2.gz LTDFOKIVUUUWNT-LSDHHAIUSA-N 2 1 327.469 1.432 10 0 EDAEMP CC[N@H+](CCc1nc2cc(OC)ccc2[nH]1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072439534 216234098 /nfs/dbraw/zinc/23/40/98/216234098.db2.gz DNVXFWFKLJQBMP-GOSISDBHSA-N 2 1 332.448 1.550 10 0 EDAEMP CC[N@@H+](CCc1nc2cc(OC)ccc2[nH]1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072439534 216234102 /nfs/dbraw/zinc/23/41/02/216234102.db2.gz DNVXFWFKLJQBMP-GOSISDBHSA-N 2 1 332.448 1.550 10 0 EDAEMP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000246482199 139110081 /nfs/dbraw/zinc/11/00/81/139110081.db2.gz OQKIFCIPQRYVRN-BURFUSLBSA-N 2 1 333.476 1.626 10 0 EDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247406697 139147992 /nfs/dbraw/zinc/14/79/92/139147992.db2.gz RKXRQIKGGMUNBA-QRQLOZEOSA-N 2 1 345.487 1.732 10 0 EDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000247406697 139147993 /nfs/dbraw/zinc/14/79/93/139147993.db2.gz RKXRQIKGGMUNBA-QRQLOZEOSA-N 2 1 345.487 1.732 10 0 EDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247406697 139147994 /nfs/dbraw/zinc/14/79/94/139147994.db2.gz RKXRQIKGGMUNBA-QRQLOZEOSA-N 2 1 345.487 1.732 10 0 EDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247406697 139147995 /nfs/dbraw/zinc/14/79/95/139147995.db2.gz RKXRQIKGGMUNBA-QRQLOZEOSA-N 2 1 345.487 1.732 10 0 EDAEMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249883055 139199637 /nfs/dbraw/zinc/19/96/37/139199637.db2.gz OAQWYTKIKGITTF-KBPBESRZSA-N 2 1 333.436 1.358 10 0 EDAEMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000494657661 255256609 /nfs/dbraw/zinc/25/66/09/255256609.db2.gz BHBCNZVCYFTZEC-KKUMJFAQSA-N 2 1 329.485 1.534 10 0 EDAEMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333475968 141323639 /nfs/dbraw/zinc/32/36/39/141323639.db2.gz BLZNNUWMPFHPIG-HLLBOEOZSA-N 2 1 338.496 1.269 10 0 EDAEMP NNc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)c[nH+]1 ZINC000160174428 225355133 /nfs/dbraw/zinc/35/51/33/225355133.db2.gz KROROEBPYLISAQ-JTQLQIEISA-N 2 1 341.257 1.589 10 0 EDAEMP C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccco1 ZINC000192797263 272986578 /nfs/dbraw/zinc/98/65/78/272986578.db2.gz SPYAROPOTDYQRV-GJZGRUSLSA-N 2 1 338.452 1.028 10 0 EDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C/C=C/CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113268582 288304991 /nfs/dbraw/zinc/30/49/91/288304991.db2.gz DOBZAXOWHIUUBW-VBPDQNBMSA-N 2 1 332.536 1.880 10 0 EDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C/C=C/CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000113268582 288304993 /nfs/dbraw/zinc/30/49/93/288304993.db2.gz DOBZAXOWHIUUBW-VBPDQNBMSA-N 2 1 332.536 1.880 10 0 EDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000113268582 288304994 /nfs/dbraw/zinc/30/49/94/288304994.db2.gz DOBZAXOWHIUUBW-VBPDQNBMSA-N 2 1 332.536 1.880 10 0 EDAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104789150 441209894 /nfs/dbraw/zinc/20/98/94/441209894.db2.gz UYYANTWTOBFJCB-HZPDHXFCSA-N 2 1 326.485 1.271 10 0 EDAEMP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000114834395 441688153 /nfs/dbraw/zinc/68/81/53/441688153.db2.gz XXQMNLCFNQSTCK-MSOLQXFVSA-N 2 1 330.476 1.997 10 0 EDAEMP COCC[NH+]1CCC(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173645300 441813543 /nfs/dbraw/zinc/81/35/43/441813543.db2.gz ILQOJMFFMVJAEG-HOTGVXAUSA-N 2 1 333.476 1.953 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000170862363 442277871 /nfs/dbraw/zinc/27/78/71/442277871.db2.gz UVQPUECHECIXPX-MRXNPFEDSA-N 2 1 338.496 1.367 10 0 EDAEMP CC[NH+](CC)CCCN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000191785047 442510774 /nfs/dbraw/zinc/51/07/74/442510774.db2.gz KCSQWKAFZCSAFW-IBGZPJMESA-N 2 1 340.556 1.445 10 0 EDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000192754703 442683523 /nfs/dbraw/zinc/68/35/23/442683523.db2.gz QXWDXTVWTBKLDE-MOPGFXCFSA-N 2 1 338.540 1.055 10 0 EDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248464218 442896002 /nfs/dbraw/zinc/89/60/02/442896002.db2.gz YDXWYDSLVMMRKL-HOTGVXAUSA-N 2 1 342.528 1.451 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000248507609 442898821 /nfs/dbraw/zinc/89/88/21/442898821.db2.gz XLBHYBRLDBTCIE-BZUAXINKSA-N 2 1 342.528 1.449 10 0 EDAEMP C[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000390716385 447496095 /nfs/dbraw/zinc/49/60/95/447496095.db2.gz CNVRVPBFBWBSNZ-MRXNPFEDSA-N 2 1 332.492 1.307 10 0 EDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662744572 453472726 /nfs/dbraw/zinc/47/27/26/453472726.db2.gz RAOBNVAJUAAXDN-ROUUACIJSA-N 2 1 332.492 1.292 10 0 EDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662744572 453472730 /nfs/dbraw/zinc/47/27/30/453472730.db2.gz RAOBNVAJUAAXDN-ROUUACIJSA-N 2 1 332.492 1.292 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000173997488 528500482 /nfs/dbraw/zinc/50/04/82/528500482.db2.gz HVTYFGNUNMAESM-IAGOWNOFSA-N 2 1 341.544 1.145 10 0 EDAEMP C[C@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000398948545 578318357 /nfs/dbraw/zinc/31/83/57/578318357.db2.gz CLFZMVBSHBUQQF-PKOBYXMFSA-N 2 1 331.504 1.943 10 0 EDAEMP C[C@H](NC1CC[NH+](CCO)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398948545 578318358 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ZINC000262706564 535652809 /nfs/dbraw/zinc/65/28/09/535652809.db2.gz MNGVYBWAOONMIH-NVXWUHKLSA-N 2 1 327.513 1.957 10 0 EDAEMP CC[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC000247039325 536120951 /nfs/dbraw/zinc/12/09/51/536120951.db2.gz IVIBRGROTUOHHI-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000247039325 536120956 /nfs/dbraw/zinc/12/09/56/536120956.db2.gz IVIBRGROTUOHHI-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CC[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC000247039325 536120959 /nfs/dbraw/zinc/12/09/59/536120959.db2.gz IVIBRGROTUOHHI-DLBZAZTESA-N 2 1 340.512 1.613 10 0 EDAEMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC000247218680 139141055 /nfs/dbraw/zinc/14/10/55/139141055.db2.gz VJJJDJWYCYUUJZ-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC000247218680 139141056 /nfs/dbraw/zinc/14/10/56/139141056.db2.gz VJJJDJWYCYUUJZ-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000247218680 139141057 /nfs/dbraw/zinc/14/10/57/139141057.db2.gz VJJJDJWYCYUUJZ-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000247218680 139141058 /nfs/dbraw/zinc/14/10/58/139141058.db2.gz VJJJDJWYCYUUJZ-JKSUJKDBSA-N 2 1 326.485 1.080 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000247249024 139142445 /nfs/dbraw/zinc/14/24/45/139142445.db2.gz XOXAYNGULABGBI-BBWFWOEESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000247249024 139142446 /nfs/dbraw/zinc/14/24/46/139142446.db2.gz XOXAYNGULABGBI-BBWFWOEESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000247249024 139142447 /nfs/dbraw/zinc/14/24/47/139142447.db2.gz XOXAYNGULABGBI-BBWFWOEESA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000247249024 139142448 /nfs/dbraw/zinc/14/24/48/139142448.db2.gz XOXAYNGULABGBI-BBWFWOEESA-N 2 1 340.512 1.469 10 0 EDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000252443870 139204601 /nfs/dbraw/zinc/20/46/01/139204601.db2.gz QHWWLFUDXMFLAQ-APWZRJJASA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000252443870 139204602 /nfs/dbraw/zinc/20/46/02/139204602.db2.gz QHWWLFUDXMFLAQ-APWZRJJASA-N 2 1 342.487 1.923 10 0 EDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000252443870 139204603 /nfs/dbraw/zinc/20/46/03/139204603.db2.gz QHWWLFUDXMFLAQ-APWZRJJASA-N 2 1 342.487 1.923 10 0 EDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@H+]1CCOC ZINC000117477597 221067962 /nfs/dbraw/zinc/06/79/62/221067962.db2.gz BWYAKUQASRYFJV-HZPDHXFCSA-N 2 1 328.501 1.469 10 0 EDAEMP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178285245 533581081 /nfs/dbraw/zinc/58/10/81/533581081.db2.gz MVIHDIRATPWJPN-QGZVFWFLSA-N 2 1 342.443 1.981 10 0 EDAEMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178285245 533581086 /nfs/dbraw/zinc/58/10/86/533581086.db2.gz MVIHDIRATPWJPN-QGZVFWFLSA-N 2 1 342.443 1.981 10 0 EDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245480159 279325677 /nfs/dbraw/zinc/32/56/77/279325677.db2.gz XBZAVTSQXXEFGL-IRXDYDNUSA-N 2 1 340.512 1.469 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000245480159 279325678 /nfs/dbraw/zinc/32/56/78/279325678.db2.gz XBZAVTSQXXEFGL-IRXDYDNUSA-N 2 1 340.512 1.469 10 0 EDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000245480159 279325679 /nfs/dbraw/zinc/32/56/79/279325679.db2.gz XBZAVTSQXXEFGL-IRXDYDNUSA-N 2 1 340.512 1.469 10 0 EDAEMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCOCC2 ZINC000186270103 279814774 /nfs/dbraw/zinc/81/47/74/279814774.db2.gz IVRPIIGRKVGMNO-IAGOWNOFSA-N 2 1 326.481 1.397 10 0 EDAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000104789260 441209127 /nfs/dbraw/zinc/20/91/27/441209127.db2.gz IDXKNKMJIPRXCR-IXDOHACOSA-N 2 1 340.512 1.374 10 0 EDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000246717362 442807037 /nfs/dbraw/zinc/80/70/37/442807037.db2.gz LCXYMCFMHKRJRY-LNLFQRSKSA-N 2 1 345.487 1.565 10 0 EDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000246717362 442807043 /nfs/dbraw/zinc/80/70/43/442807043.db2.gz LCXYMCFMHKRJRY-LNLFQRSKSA-N 2 1 345.487 1.565 10 0 EDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000246717362 442807047 /nfs/dbraw/zinc/80/70/47/442807047.db2.gz LCXYMCFMHKRJRY-LNLFQRSKSA-N 2 1 345.487 1.565 10 0 EDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000246717362 442807051 /nfs/dbraw/zinc/80/70/51/442807051.db2.gz LCXYMCFMHKRJRY-LNLFQRSKSA-N 2 1 345.487 1.565 10 0 EDAEMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000183136087 442886658 /nfs/dbraw/zinc/88/66/58/442886658.db2.gz NOCOXLPSPTZWPQ-MJGOQNOKSA-N 2 1 345.487 1.796 10 0 EDAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000249782209 443004639 /nfs/dbraw/zinc/00/46/39/443004639.db2.gz QCJPDIIRBWOLKJ-IXDOHACOSA-N 2 1 340.512 1.253 10 0 EDAEMP CC[C@H]1CN(C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000184697459 443062141 /nfs/dbraw/zinc/06/21/41/443062141.db2.gz FLJYYIDYXQGCQS-SJORKVTESA-N 2 1 342.528 1.592 10 0 EDAEMP C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568499303 321294106 /nfs/dbraw/zinc/29/41/06/321294106.db2.gz FYJBEFJFNRFGQC-ICSRJNTNSA-N 2 1 330.520 1.782 10 0 EDAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390905117 447507188 /nfs/dbraw/zinc/50/71/88/447507188.db2.gz XUHFKWFKPZQJTK-YTQUADARSA-N 2 1 345.487 1.782 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638107816 451275262 /nfs/dbraw/zinc/27/52/62/451275262.db2.gz HVBPWNHXIMNSDA-QZTJIDSGSA-N 2 1 332.492 1.388 10 0 EDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638107816 451275269 /nfs/dbraw/zinc/27/52/69/451275269.db2.gz HVBPWNHXIMNSDA-QZTJIDSGSA-N 2 1 332.492 1.388 10 0 EDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638107816 451275273 /nfs/dbraw/zinc/27/52/73/451275273.db2.gz HVBPWNHXIMNSDA-QZTJIDSGSA-N 2 1 332.492 1.388 10 0 EDAEMP COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638803181 451695560 /nfs/dbraw/zinc/69/55/60/451695560.db2.gz HEDDIJIYIZEKFP-IEBWSBKVSA-N 2 1 331.460 1.393 10 0 EDAEMP COC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000659325581 453717349 /nfs/dbraw/zinc/71/73/49/453717349.db2.gz VHBOKCWHUYHUBP-FXAWDEMLSA-N 2 1 345.487 1.878 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000178332347 534776907 /nfs/dbraw/zinc/77/69/07/534776907.db2.gz YLYWOEQRUMTOIT-AWEZNQCLSA-N 2 1 345.403 1.275 10 0 EDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000178332347 534776911 /nfs/dbraw/zinc/77/69/11/534776911.db2.gz YLYWOEQRUMTOIT-AWEZNQCLSA-N 2 1 345.403 1.275 10 0 EDAEMP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000174957067 529360704 /nfs/dbraw/zinc/36/07/04/529360704.db2.gz LYSNNOSVSQDAMV-QGZVFWFLSA-N 2 1 325.497 1.676 10 0 EDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000104898333 282199607 /nfs/dbraw/zinc/19/96/07/282199607.db2.gz SEZHPMMLIKLLBF-MSOLQXFVSA-N 2 1 330.476 1.138 10 0 EDAEMP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246177138 139097770 /nfs/dbraw/zinc/09/77/70/139097770.db2.gz SSIADKBMOXEAQQ-JYJNAYRXSA-N 2 1 326.485 1.079 10 0 EDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246177138 139097771 /nfs/dbraw/zinc/09/77/71/139097771.db2.gz SSIADKBMOXEAQQ-JYJNAYRXSA-N 2 1 326.485 1.079 10 0 EDAEMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H](C)C1C[NH2+]C1)CC2 ZINC000262377175 139274534 /nfs/dbraw/zinc/27/45/34/139274534.db2.gz MNGDSBKMVWOVBN-ZDUSSCGKSA-N 2 1 347.459 1.034 10 0 EDAEMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H](C)C1C[NH2+]C1)CC2 ZINC000262377175 139274535 /nfs/dbraw/zinc/27/45/35/139274535.db2.gz MNGDSBKMVWOVBN-ZDUSSCGKSA-N 2 1 347.459 1.034 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000117482891 221070587 /nfs/dbraw/zinc/07/05/87/221070587.db2.gz PXZYXVGXNSKOAE-OAHLLOKOSA-N 2 1 340.512 1.611 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000117482891 221070590 /nfs/dbraw/zinc/07/05/90/221070590.db2.gz PXZYXVGXNSKOAE-OAHLLOKOSA-N 2 1 340.512 1.611 10 0 EDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246151757 279126285 /nfs/dbraw/zinc/12/62/85/279126285.db2.gz PGYZBDHVPHKYGZ-ZACQAIPSSA-N 2 1 340.512 1.325 10 0 EDAEMP CCC[C@H](C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)[NH+](C)C ZINC000162424715 442092846 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327.469 1.290 10 0 EDAEMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495361774 320397743 /nfs/dbraw/zinc/39/77/43/320397743.db2.gz HYXPSGPSYMXMGJ-WMLDXEAASA-N 2 1 327.469 1.290 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000638835514 451705446 /nfs/dbraw/zinc/70/54/46/451705446.db2.gz MALUPAJDFNYQCH-SJLPKXTDSA-N 2 1 345.487 1.626 10 0 EDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000638837560 451706416 /nfs/dbraw/zinc/70/64/16/451706416.db2.gz ZUOHUSBTDWHYFA-LMSBXDPUSA-N 2 1 331.460 1.248 10 0 EDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000638837560 451706420 /nfs/dbraw/zinc/70/64/20/451706420.db2.gz ZUOHUSBTDWHYFA-LMSBXDPUSA-N 2 1 331.460 1.248 10 0 EDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175034628 529407081 /nfs/dbraw/zinc/40/70/81/529407081.db2.gz QWPNILGPUCVPJM-QZTJIDSGSA-N 2 1 336.524 1.534 10 0 EDAEMP CCN1CC[NH+](CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000101629551 219147996 /nfs/dbraw/zinc/14/79/96/219147996.db2.gz MQMJZYSIORTXJQ-SFHVURJKSA-N 2 1 332.492 1.433 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COC3CCOCC3)C2)[nH+]1 ZINC000245863016 139087844 /nfs/dbraw/zinc/08/78/44/139087844.db2.gz JOCWLEMHMGEXTJ-DLBZAZTESA-N 2 1 349.475 1.680 10 0 EDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COC3CCOCC3)C2)[nH+]1 ZINC000245863016 139087845 /nfs/dbraw/zinc/08/78/45/139087845.db2.gz JOCWLEMHMGEXTJ-DLBZAZTESA-N 2 1 349.475 1.680 10 0 EDAEMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262499636 139282706 /nfs/dbraw/zinc/28/27/06/139282706.db2.gz KMRYSVCELXEMJU-ROUUACIJSA-N 2 1 331.460 1.080 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@H]1C ZINC000117474263 221068390 /nfs/dbraw/zinc/06/83/90/221068390.db2.gz KVTNWWRSFNSWID-MRXNPFEDSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@H]1C ZINC000117474263 221068393 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ZINC000186322537 442511184 /nfs/dbraw/zinc/51/11/84/442511184.db2.gz CCSHJVIXZDDOJU-ZWKOTPCHSA-N 2 1 339.524 1.578 10 0 EDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179285128 442612115 /nfs/dbraw/zinc/61/21/15/442612115.db2.gz KLCRWOAMCNOESX-QGZVFWFLSA-N 2 1 339.528 1.138 10 0 EDAEMP CC[C@@H]1CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000181943818 442722982 /nfs/dbraw/zinc/72/29/82/442722982.db2.gz XLBHYBRLDBTCIE-OWCLPIDISA-N 2 1 342.528 1.449 10 0 EDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000248408548 442890318 /nfs/dbraw/zinc/89/03/18/442890318.db2.gz VPOHXMPKUXQJIQ-SJORKVTESA-N 2 1 346.475 1.721 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000181943359 318493211 /nfs/dbraw/zinc/49/32/11/318493211.db2.gz ZSMUIILWSPAWPY-GJZGRUSLSA-N 2 1 328.501 1.061 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000184833634 443084303 /nfs/dbraw/zinc/08/43/03/443084303.db2.gz ZADTUVIAVLIFCZ-ULQDDVLXSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000184833634 443084304 /nfs/dbraw/zinc/08/43/04/443084304.db2.gz ZADTUVIAVLIFCZ-ULQDDVLXSA-N 2 1 340.512 1.205 10 0 EDAEMP CC[NH+](CC)CCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190678950 443163301 /nfs/dbraw/zinc/16/33/01/443163301.db2.gz KUZSKCZDIQHDIT-GOSISDBHSA-N 2 1 347.507 1.887 10 0 EDAEMP C[NH2+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000262320598 536337969 /nfs/dbraw/zinc/33/79/69/536337969.db2.gz FDXQNCUIFAONPI-GOSISDBHSA-N 2 1 341.459 1.958 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000178332363 282216997 /nfs/dbraw/zinc/21/69/97/282216997.db2.gz YLYWOEQRUMTOIT-CQSZACIVSA-N 2 1 345.403 1.275 10 0 EDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC(=O)NCc1ccco1 ZINC000178332363 282216998 /nfs/dbraw/zinc/21/69/98/282216998.db2.gz YLYWOEQRUMTOIT-CQSZACIVSA-N 2 1 345.403 1.275 10 0 EDAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000166140322 529970415 /nfs/dbraw/zinc/97/04/15/529970415.db2.gz REMNPROKANRZAL-FZMZJTMJSA-N 2 1 327.270 1.727 10 0 EDAEMP CCCCOC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000195176095 139009001 /nfs/dbraw/zinc/00/90/01/139009001.db2.gz BFIQAHWVISZUGX-QZTJIDSGSA-N 2 1 327.513 1.266 10 0 EDAEMP CCCCOC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000195176095 139009002 /nfs/dbraw/zinc/00/90/02/139009002.db2.gz BFIQAHWVISZUGX-QZTJIDSGSA-N 2 1 327.513 1.266 10 0 EDAEMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2F)CC1 ZINC000236997201 139037581 /nfs/dbraw/zinc/03/75/81/139037581.db2.gz ZHTANBRYNADZQV-DOTOQJQBSA-N 2 1 348.466 1.825 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000246900842 139126330 /nfs/dbraw/zinc/12/63/30/139126330.db2.gz CKSBJHPTTFYYPG-ZWKOTPCHSA-N 2 1 331.460 1.488 10 0 EDAEMP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[N@@H+](C)CC23CCCCC3)cn1 ZINC000262375575 139274210 /nfs/dbraw/zinc/27/42/10/139274210.db2.gz WOTHWIUUPVRAKJ-SJORKVTESA-N 2 1 345.491 1.200 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117486158 221070120 /nfs/dbraw/zinc/07/01/20/221070120.db2.gz RXHNONBACKCJAD-IAGOWNOFSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000117486158 221070122 /nfs/dbraw/zinc/07/01/22/221070122.db2.gz RXHNONBACKCJAD-IAGOWNOFSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC000117482924 221070264 /nfs/dbraw/zinc/07/02/64/221070264.db2.gz LTYWBDNLLUZYPJ-IAGOWNOFSA-N 2 1 340.512 1.471 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC000117482924 221070268 /nfs/dbraw/zinc/07/02/68/221070268.db2.gz LTYWBDNLLUZYPJ-IAGOWNOFSA-N 2 1 340.512 1.471 10 0 EDAEMP CS[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1[NH+]1CCCC1 ZINC000333068247 141258499 /nfs/dbraw/zinc/25/84/99/141258499.db2.gz CBWFDAQRLDLGQN-CABCVRRESA-N 2 1 344.488 1.987 10 0 EDAEMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105862174 441293217 /nfs/dbraw/zinc/29/32/17/441293217.db2.gz KLIOYMRQKCZLQF-HNNXBMFYSA-N 2 1 334.460 1.998 10 0 EDAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000151342705 442045315 /nfs/dbraw/zinc/04/53/15/442045315.db2.gz FXKGFVXWUGJRTO-MAUKXSAKSA-N 2 1 329.448 1.765 10 0 EDAEMP C[C@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175763606 442118467 /nfs/dbraw/zinc/11/84/67/442118467.db2.gz XFLMRDJWJMMBMD-RDJZCZTQSA-N 2 1 338.496 1.223 10 0 EDAEMP C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175763606 442118471 /nfs/dbraw/zinc/11/84/71/442118471.db2.gz XFLMRDJWJMMBMD-RDJZCZTQSA-N 2 1 338.496 1.223 10 0 EDAEMP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000246522890 442788993 /nfs/dbraw/zinc/78/89/93/442788993.db2.gz VXQSVROOXLEEIW-OALUTQOASA-N 2 1 344.503 1.576 10 0 EDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000246522890 442788997 /nfs/dbraw/zinc/78/89/97/442788997.db2.gz VXQSVROOXLEEIW-OALUTQOASA-N 2 1 344.503 1.576 10 0 EDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000246689686 442803761 /nfs/dbraw/zinc/80/37/61/442803761.db2.gz AESPLCUELRRDDR-IRXDYDNUSA-N 2 1 334.439 1.918 10 0 EDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOCC(F)(F)C(F)F)CC1 ZINC000189180772 442892892 /nfs/dbraw/zinc/89/28/92/442892892.db2.gz LVNUDGPIKMZGNA-LBPRGKRZSA-N 2 1 344.393 1.928 10 0 EDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000181943381 318493429 /nfs/dbraw/zinc/49/34/29/318493429.db2.gz ZSMUIILWSPAWPY-LSDHHAIUSA-N 2 1 328.501 1.061 10 0 EDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000185451582 443201901 /nfs/dbraw/zinc/20/19/01/443201901.db2.gz JEAXZZYHPOGQNI-JKSUJKDBSA-N 2 1 348.491 1.345 10 0 EDAEMP COC[C@]1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638303461 451417591 /nfs/dbraw/zinc/41/75/91/451417591.db2.gz YMICXRDLWAXSLR-APWZRJJASA-N 2 1 333.476 1.782 10 0 EDAEMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638850863 451710768 /nfs/dbraw/zinc/71/07/68/451710768.db2.gz HSQMUHIRMWQZGH-KZNAEPCWSA-N 2 1 331.460 1.270 10 0 EDAEMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000638852222 451711390 /nfs/dbraw/zinc/71/13/90/451711390.db2.gz VWGKZQWJGIFFIR-OALUTQOASA-N 2 1 345.487 1.783 10 0 EDAEMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1CC ZINC000168080839 528743199 /nfs/dbraw/zinc/74/31/99/528743199.db2.gz MILKMFDIWDIWLI-MHORFTMASA-N 2 1 337.508 1.866 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1CC ZINC000168080839 528743206 /nfs/dbraw/zinc/74/32/06/528743206.db2.gz MILKMFDIWDIWLI-MHORFTMASA-N 2 1 337.508 1.866 10 0 EDAEMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174856085 528813199 /nfs/dbraw/zinc/81/31/99/528813199.db2.gz INFOISLWGFEJEX-IBGZPJMESA-N 2 1 347.503 1.888 10 0 EDAEMP CCOCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@@H]1CC ZINC000247093550 535596321 /nfs/dbraw/zinc/59/63/21/535596321.db2.gz MDECEKZBRLQKDW-HOTGVXAUSA-N 2 1 340.512 1.611 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@@H]1CC ZINC000247093550 535596325 /nfs/dbraw/zinc/59/63/25/535596325.db2.gz MDECEKZBRLQKDW-HOTGVXAUSA-N 2 1 340.512 1.611 10 0 EDAEMP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1CC ZINC000247093550 535596327 /nfs/dbraw/zinc/59/63/27/535596327.db2.gz MDECEKZBRLQKDW-HOTGVXAUSA-N 2 1 340.512 1.611 10 0 EDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247182601 536868642 /nfs/dbraw/zinc/86/86/42/536868642.db2.gz RWFYZBOMTBPTGM-IKGGRYGDSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247182601 536868648 /nfs/dbraw/zinc/86/86/48/536868648.db2.gz RWFYZBOMTBPTGM-IKGGRYGDSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247182601 536868656 /nfs/dbraw/zinc/86/86/56/536868656.db2.gz RWFYZBOMTBPTGM-IKGGRYGDSA-N 2 1 340.512 1.469 10 0 EDAEMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247182601 536868661 /nfs/dbraw/zinc/86/86/61/536868661.db2.gz RWFYZBOMTBPTGM-IKGGRYGDSA-N 2 1 340.512 1.469 10 0 EDAEMP