smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc2ccccc2c1 ZINC000011933380 521632932 /nfs/dbraw/zinc/63/29/32/521632932.db2.gz DVBACEXERTWTDW-XMMPIXPASA-N 2 1 438.616 3.520 50 0 IHAAMP CN(C)c1ccccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012319301 521749280 /nfs/dbraw/zinc/74/92/80/521749280.db2.gz RAUNRTKRYRQWNQ-NRFANRHFSA-N 2 1 440.607 3.808 50 0 IHAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020869107 523343857 /nfs/dbraw/zinc/34/38/57/523343857.db2.gz JLTOALWBELDSHP-MHZLTWQESA-N 2 1 445.607 3.881 50 0 IHAAMP COCC[N@H+](Cc1nc2ccccc2n1C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012207824 523777150 /nfs/dbraw/zinc/77/71/50/523777150.db2.gz WLJBGKLEAPUGDO-UHFFFAOYSA-N 2 1 436.600 3.943 50 0 IHAAMP CSc1ncccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012455885 526222504 /nfs/dbraw/zinc/22/25/04/526222504.db2.gz UUDVEVFYUYNFJA-IBGZPJMESA-N 2 1 444.620 3.859 50 0 IHAAMP O=C(CCC1CC[NH+](Cc2ccc3nonc3c2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012707780 526408644 /nfs/dbraw/zinc/40/86/44/526408644.db2.gz XKUFVIADJZEJSZ-QHCPKHFHSA-N 2 1 447.583 3.606 50 0 IHAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)CC1 ZINC000011820138 556361936 /nfs/dbraw/zinc/36/19/36/556361936.db2.gz UCIXOCQSQOUVEO-UZUQRXQVSA-N 2 1 429.634 3.574 50 0 IHAAMP C[NH+]1CCCN(C(=O)c2nc3sccn3c2C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)CC1 ZINC000011820138 556361938 /nfs/dbraw/zinc/36/19/38/556361938.db2.gz UCIXOCQSQOUVEO-UZUQRXQVSA-N 2 1 429.634 3.574 50 0 IHAAMP C[NH+]1CCCN(C(=O)c2nc3sccn3c2C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)CC1 ZINC000011820138 556361940 /nfs/dbraw/zinc/36/19/40/556361940.db2.gz UCIXOCQSQOUVEO-UZUQRXQVSA-N 2 1 429.634 3.574 50 0 IHAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCCOc2cccnc2)cc1 ZINC000011844501 556367548 /nfs/dbraw/zinc/36/75/48/556367548.db2.gz PCCPBDUFEBVSKU-DEOSSOPVSA-N 2 1 435.568 3.512 50 0 IHAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014751389 556443671 /nfs/dbraw/zinc/44/36/71/556443671.db2.gz QZKMCAKQSLPZHP-JYFHCDHNSA-N 2 1 449.639 3.760 50 0 IHAAMP COc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC000014965903 556465419 /nfs/dbraw/zinc/46/54/19/556465419.db2.gz QQPCZRRMSGKLMF-NRFANRHFSA-N 2 1 439.600 3.620 50 0 IHAAMP Cc1ccc(-c2cccc(C[N@@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@H](CCO)C3)c2)o1 ZINC000038149446 556612110 /nfs/dbraw/zinc/61/21/10/556612110.db2.gz HBFFOUINZDPCHX-RUZDIDTESA-N 2 1 425.617 3.996 50 0 IHAAMP CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000019890124 556939320 /nfs/dbraw/zinc/93/93/20/556939320.db2.gz WFBRRYBRJMTQEJ-QHCPKHFHSA-N 2 1 427.589 3.551 50 0 IHAAMP Cc1cccc(-c2ncc(C[N@@H+]3CCC[C@@H](CCC(=O)N(C)C4CC[NH+](C)CC4)C3)cn2)c1 ZINC000023145009 557068245 /nfs/dbraw/zinc/06/82/45/557068245.db2.gz MZENPEUZBWFCOF-QFIPXVFZSA-N 2 1 449.643 3.997 50 0 IHAAMP O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000036477422 569113073 /nfs/dbraw/zinc/11/30/73/569113073.db2.gz ZVTHZKNSRZHPIO-RTWAWAEBSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000036477422 569113075 /nfs/dbraw/zinc/11/30/75/569113075.db2.gz ZVTHZKNSRZHPIO-RTWAWAEBSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036477422 569113077 /nfs/dbraw/zinc/11/30/77/569113077.db2.gz ZVTHZKNSRZHPIO-RTWAWAEBSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036477422 569113079 /nfs/dbraw/zinc/11/30/79/569113079.db2.gz ZVTHZKNSRZHPIO-RTWAWAEBSA-N 2 1 434.609 3.866 50 0 IHAAMP COc1cc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000012431569 522376598 /nfs/dbraw/zinc/37/65/98/522376598.db2.gz IQFGQPDIFWZDQS-QGZVFWFLSA-N 2 1 438.012 3.599 50 0 IHAAMP C[N@@H+](Cc1cccc(OCCNC(=O)[C@H]2CCCC[NH+]2C)c1)Cc1cccc2cccnc21 ZINC000012338169 523317080 /nfs/dbraw/zinc/31/70/80/523317080.db2.gz LIPVAPWGJJRTOA-RUZDIDTESA-N 2 1 446.595 3.846 50 0 IHAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@H]2CCCC[N@@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012338169 523317089 /nfs/dbraw/zinc/31/70/89/523317089.db2.gz LIPVAPWGJJRTOA-RUZDIDTESA-N 2 1 446.595 3.846 50 0 IHAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@H]2CCCC[N@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012338169 523317097 /nfs/dbraw/zinc/31/70/97/523317097.db2.gz LIPVAPWGJJRTOA-RUZDIDTESA-N 2 1 446.595 3.846 50 0 IHAAMP CCc1cc(C(=O)N(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n(C)n1 ZINC000012193778 523751548 /nfs/dbraw/zinc/75/15/48/523751548.db2.gz NMHJUYGBCJQNTJ-NRFANRHFSA-N 2 1 429.653 3.565 50 0 IHAAMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000012588083 523814138 /nfs/dbraw/zinc/81/41/38/523814138.db2.gz VMUDLOLXOOXCAA-QHCPKHFHSA-N 2 1 435.612 3.844 50 0 IHAAMP Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012307276 524145028 /nfs/dbraw/zinc/14/50/28/524145028.db2.gz HASHDAHYTBHTLJ-JOCHJYFZSA-N 2 1 437.632 3.726 50 0 IHAAMP Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012307276 524145037 /nfs/dbraw/zinc/14/50/37/524145037.db2.gz HASHDAHYTBHTLJ-JOCHJYFZSA-N 2 1 437.632 3.726 50 0 IHAAMP O=C(C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000014976061 556468833 /nfs/dbraw/zinc/46/88/33/556468833.db2.gz KJSBGRQXDGFUGD-JOCHJYFZSA-N 2 1 425.617 3.838 50 0 IHAAMP COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023338451 557085181 /nfs/dbraw/zinc/08/51/81/557085181.db2.gz CQEVMIVLSGASMI-QHCPKHFHSA-N 2 1 441.616 3.735 50 0 IHAAMP COCC[N@H+](Cc1ccccc1OCCO)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014963662 557231244 /nfs/dbraw/zinc/23/12/44/557231244.db2.gz RBSRRXYXRANHKC-UHFFFAOYSA-N 2 1 430.564 3.557 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014981593 557633493 /nfs/dbraw/zinc/63/34/93/557633493.db2.gz OVCJIGOJNADGFU-NRFANRHFSA-N 2 1 431.577 3.629 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014981593 557633496 /nfs/dbraw/zinc/63/34/96/557633496.db2.gz OVCJIGOJNADGFU-NRFANRHFSA-N 2 1 431.577 3.629 50 0 IHAAMP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000095472089 569372138 /nfs/dbraw/zinc/37/21/38/569372138.db2.gz QISGOSYHQSRZRH-UHFFFAOYSA-N 2 1 425.548 3.895 50 0 IHAAMP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000095472089 569372139 /nfs/dbraw/zinc/37/21/39/569372139.db2.gz QISGOSYHQSRZRH-UHFFFAOYSA-N 2 1 425.548 3.895 50 0 IHAAMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1CO ZINC000012592680 519779224 /nfs/dbraw/zinc/77/92/24/519779224.db2.gz WDJJYDMZQLHFKE-NRFANRHFSA-N 2 1 445.648 3.511 50 0 IHAAMP C[NH+]1CCC([NH2+]C2CCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)CC2)CC1 ZINC000011967329 523775920 /nfs/dbraw/zinc/77/59/20/523775920.db2.gz RTJJDZBBLGJADF-UHFFFAOYSA-N 2 1 432.612 3.538 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2sccc2C)C1 ZINC000012835853 524450305 /nfs/dbraw/zinc/45/03/05/524450305.db2.gz JKKPGVYOPRJAET-FQEVSTJZSA-N 2 1 429.630 3.981 50 0 IHAAMP CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000004727884 556008557 /nfs/dbraw/zinc/00/85/57/556008557.db2.gz WFBRRYBRJMTQEJ-HSZRJFAPSA-N 2 1 427.589 3.551 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccc(F)c(F)c2)C1 ZINC000011816791 556359561 /nfs/dbraw/zinc/35/95/61/556359561.db2.gz ZXLQBEQASZOQFQ-LJQANCHMSA-N 2 1 445.554 3.889 50 0 IHAAMP C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012024181 556387328 /nfs/dbraw/zinc/38/73/28/556387328.db2.gz YJXCDHFPJPQVPY-VWLOTQADSA-N 2 1 434.584 3.730 50 0 IHAAMP COCC[N@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014963597 556465019 /nfs/dbraw/zinc/46/50/19/556465019.db2.gz HNVWCHNNXGQRHZ-UHFFFAOYSA-N 2 1 437.563 3.767 50 0 IHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)COc1ccccc1 ZINC000015075306 556498804 /nfs/dbraw/zinc/49/88/04/556498804.db2.gz WEPSWFZGBPFCAX-OAQYLSRUSA-N 2 1 427.564 3.507 50 0 IHAAMP CC(C)n1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039399931 556628502 /nfs/dbraw/zinc/62/85/02/556628502.db2.gz RMYJHOZUZPXLPL-XMMPIXPASA-N 2 1 426.649 3.964 50 0 IHAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000097164305 556994469 /nfs/dbraw/zinc/99/44/69/556994469.db2.gz CCMPERODMHCLKH-GCJKJVERSA-N 2 1 448.007 3.943 50 0 IHAAMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000097164305 556994472 /nfs/dbraw/zinc/99/44/72/556994472.db2.gz CCMPERODMHCLKH-GCJKJVERSA-N 2 1 448.007 3.943 50 0 IHAAMP CCn1nc(C)c(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1C ZINC000023359373 557087482 /nfs/dbraw/zinc/08/74/82/557087482.db2.gz MQENILSMMXFNKC-QFIPXVFZSA-N 2 1 429.628 3.935 50 0 IHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cc1ccccc1F ZINC000012314850 521748744 /nfs/dbraw/zinc/74/87/44/521748744.db2.gz SSGGABRAROLMCN-HXUWFJFHSA-N 2 1 429.555 3.810 50 0 IHAAMP COc1cc(C[N@@H+](C)CCc2ccccn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012449232 522351540 /nfs/dbraw/zinc/35/15/40/522351540.db2.gz TZZTYYIRGSFNRE-DEOSSOPVSA-N 2 1 441.616 3.771 50 0 IHAAMP COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012594088 522454202 /nfs/dbraw/zinc/45/42/02/522454202.db2.gz AGSFPQOBDIHKKN-HSZRJFAPSA-N 2 1 442.600 3.868 50 0 IHAAMP COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)c(OC)c1 ZINC000012762588 523776963 /nfs/dbraw/zinc/77/69/63/523776963.db2.gz CYLIEGYCQGEHQM-HXUWFJFHSA-N 2 1 426.557 3.739 50 0 IHAAMP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012459502 524069140 /nfs/dbraw/zinc/06/91/40/524069140.db2.gz ZBXQOQJSLRZVMB-SANMLTNESA-N 2 1 446.591 3.824 50 0 IHAAMP COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011874261 556370327 /nfs/dbraw/zinc/37/03/27/556370327.db2.gz XLVQPRGYVUXYCG-DEOSSOPVSA-N 2 1 438.543 3.996 50 0 IHAAMP CC(C)C[N@@H+]1C[C@H](C(=O)NCCC[NH+](C)C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014742868 556439634 /nfs/dbraw/zinc/43/96/34/556439634.db2.gz YVCACEARJNSGDI-RBUKOAKNSA-N 2 1 443.554 3.746 50 0 IHAAMP O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014746486 556441174 /nfs/dbraw/zinc/44/11/74/556441174.db2.gz GWSYBRHRONCOCK-RCXJIHSJSA-N 2 1 435.612 3.669 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccc(F)c2)C1 ZINC000014958458 556463024 /nfs/dbraw/zinc/46/30/24/556463024.db2.gz RYDHEAXFQMDPTG-HXUWFJFHSA-N 2 1 427.564 3.750 50 0 IHAAMP CC(=O)N1CCC([N@@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064244 556491854 /nfs/dbraw/zinc/49/18/54/556491854.db2.gz QQCKLQOZYIBQOQ-FQEVSTJZSA-N 2 1 425.539 3.903 50 0 IHAAMP CC(=O)N1CCC([NH+](C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064244 556491857 /nfs/dbraw/zinc/49/18/57/556491857.db2.gz QQCKLQOZYIBQOQ-FQEVSTJZSA-N 2 1 425.539 3.903 50 0 IHAAMP CC(=O)N1CCC([NH+](C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064244 556491859 /nfs/dbraw/zinc/49/18/59/556491859.db2.gz QQCKLQOZYIBQOQ-FQEVSTJZSA-N 2 1 425.539 3.903 50 0 IHAAMP O[C@@H](COc1cccc(C[NH2+]CCOc2ccccc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000015074056 556498166 /nfs/dbraw/zinc/49/81/66/556498166.db2.gz ARPHLMHKFPDYRY-RUZDIDTESA-N 2 1 432.564 3.653 50 0 IHAAMP Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000015077727 556499885 /nfs/dbraw/zinc/49/98/85/556499885.db2.gz RNLMYWQICYBEFT-OAHLLOKOSA-N 2 1 447.963 3.965 50 0 IHAAMP COCC[N@H+](Cc1cc(CC(C)C)n[nH]1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000023338583 557085235 /nfs/dbraw/zinc/08/52/35/557085235.db2.gz OWWMDUYMJCYHCK-UHFFFAOYSA-N 2 1 428.621 3.977 50 0 IHAAMP C[NH+](C[C@H](O)COc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1)C1CCCCC1 ZINC000006576958 562947335 /nfs/dbraw/zinc/94/73/35/562947335.db2.gz YZKSALQYGMMYST-ZEQRLZLVSA-N 2 1 448.648 3.695 50 0 IHAAMP COc1ccc(C[NH2+]CCc2ncccc2C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019229341 569316466 /nfs/dbraw/zinc/31/64/66/569316466.db2.gz WVWDFCKCCLKTLK-DEOSSOPVSA-N 2 1 449.595 3.603 50 0 IHAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1OC ZINC000012210151 520721811 /nfs/dbraw/zinc/72/18/11/520721811.db2.gz DBXIHDDWLNUXGR-HSZRJFAPSA-N 2 1 437.584 3.957 50 0 IHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(-c2ccc(C)s2)n[nH]1 ZINC000012447065 520976890 /nfs/dbraw/zinc/97/68/90/520976890.db2.gz AGOSQSHQDNVXTO-UHFFFAOYSA-N 2 1 429.634 3.715 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccccc2OC)C1 ZINC000012315210 524448904 /nfs/dbraw/zinc/44/89/04/524448904.db2.gz CRAYZZDQYFDMKW-OAQYLSRUSA-N 2 1 439.600 3.620 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccc(F)cc2F)C1 ZINC000012459253 524448981 /nfs/dbraw/zinc/44/89/81/524448981.db2.gz BYJZSAIESOYMPZ-IBGZPJMESA-N 2 1 445.554 3.889 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C(C)C)no2)C1 ZINC000012315334 524450211 /nfs/dbraw/zinc/45/02/11/524450211.db2.gz UPEVVTFCRGFEGM-FQEVSTJZSA-N 2 1 442.604 3.723 50 0 IHAAMP Cc1cc(C)n(CC[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)n1 ZINC000012476620 524525870 /nfs/dbraw/zinc/52/58/70/524525870.db2.gz KIPYOOZCHQTXTQ-XMMPIXPASA-N 2 1 428.621 3.636 50 0 IHAAMP Cc1cc(C)n(CC[NH+](C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000012476620 524525877 /nfs/dbraw/zinc/52/58/77/524525877.db2.gz KIPYOOZCHQTXTQ-XMMPIXPASA-N 2 1 428.621 3.636 50 0 IHAAMP Cc1cc(C)n(CC[NH+](C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000012476620 524525893 /nfs/dbraw/zinc/52/58/93/524525893.db2.gz KIPYOOZCHQTXTQ-XMMPIXPASA-N 2 1 428.621 3.636 50 0 IHAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000014967235 556466003 /nfs/dbraw/zinc/46/60/03/556466003.db2.gz BZOZVKUSOFSRHI-HSZRJFAPSA-N 2 1 436.600 3.611 50 0 IHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000014967235 556466005 /nfs/dbraw/zinc/46/60/05/556466005.db2.gz BZOZVKUSOFSRHI-HSZRJFAPSA-N 2 1 436.600 3.611 50 0 IHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000014967235 556466007 /nfs/dbraw/zinc/46/60/07/556466007.db2.gz BZOZVKUSOFSRHI-HSZRJFAPSA-N 2 1 436.600 3.611 50 0 IHAAMP O[C@H](COc1cccc(C[NH2+]CCOc2ccccc2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000015074057 556498030 /nfs/dbraw/zinc/49/80/30/556498030.db2.gz ARPHLMHKFPDYRY-VWLOTQADSA-N 2 1 432.564 3.653 50 0 IHAAMP COCC[N@H+](Cc1cnc(SC)nc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011873941 556668125 /nfs/dbraw/zinc/66/81/25/556668125.db2.gz FWCCRALGFVKTNU-UHFFFAOYSA-N 2 1 430.618 3.568 50 0 IHAAMP CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000019794713 556916010 /nfs/dbraw/zinc/91/60/10/556916010.db2.gz STWMCHYRROZZNV-UHFFFAOYSA-N 2 1 434.628 3.825 50 0 IHAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2nc3ccccc3o2)ccc1OC ZINC000012594951 520737847 /nfs/dbraw/zinc/73/78/47/520737847.db2.gz FQYFHTXPKUUCLB-IBGZPJMESA-N 2 1 427.545 3.550 50 0 IHAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)Cc2nc3ccccc3o2)ccc1OC ZINC000012594951 520737856 /nfs/dbraw/zinc/73/78/56/520737856.db2.gz FQYFHTXPKUUCLB-IBGZPJMESA-N 2 1 427.545 3.550 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2ccccn2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012317951 522354896 /nfs/dbraw/zinc/35/48/96/522354896.db2.gz NNCFWPPREZQDGV-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2ccccn2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012317951 522354901 /nfs/dbraw/zinc/35/49/01/522354901.db2.gz NNCFWPPREZQDGV-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2ccccn2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012317951 522354911 /nfs/dbraw/zinc/35/49/11/522354911.db2.gz NNCFWPPREZQDGV-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2ccccn2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012317951 522354923 /nfs/dbraw/zinc/35/49/23/522354923.db2.gz NNCFWPPREZQDGV-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP C[N@@H+](CCc1ccccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000012304482 522964313 /nfs/dbraw/zinc/96/43/13/522964313.db2.gz DUANZBTZHWHVBU-SANMLTNESA-N 2 1 431.580 3.554 50 0 IHAAMP C[NH+](CCc1ccccn1)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012304482 522964328 /nfs/dbraw/zinc/96/43/28/522964328.db2.gz DUANZBTZHWHVBU-SANMLTNESA-N 2 1 431.580 3.554 50 0 IHAAMP C[NH+](CCc1ccccn1)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012304482 522964337 /nfs/dbraw/zinc/96/43/37/522964337.db2.gz DUANZBTZHWHVBU-SANMLTNESA-N 2 1 431.580 3.554 50 0 IHAAMP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3c(F)cccc3F)CC2)CC1 ZINC000012434613 523767001 /nfs/dbraw/zinc/76/70/01/523767001.db2.gz TWWQEKPMQJAFTC-UHFFFAOYSA-N 2 1 442.554 3.808 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccc(F)cc2F)C1 ZINC000012459252 524450521 /nfs/dbraw/zinc/45/05/21/524450521.db2.gz BYJZSAIESOYMPZ-LJQANCHMSA-N 2 1 445.554 3.889 50 0 IHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H]3CCCCO3)CC2)CC1 ZINC000012584665 525136935 /nfs/dbraw/zinc/13/69/35/525136935.db2.gz AWFRESAIJIJBFT-VWLOTQADSA-N 2 1 427.633 3.699 50 0 IHAAMP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000012796475 525250060 /nfs/dbraw/zinc/25/00/60/525250060.db2.gz ZJPPRXSDTXOVTM-DEOSSOPVSA-N 2 1 437.584 3.622 50 0 IHAAMP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000012796475 525250070 /nfs/dbraw/zinc/25/00/70/525250070.db2.gz ZJPPRXSDTXOVTM-DEOSSOPVSA-N 2 1 437.584 3.622 50 0 IHAAMP COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC1)cn2C ZINC000035457831 525602197 /nfs/dbraw/zinc/60/21/97/525602197.db2.gz CHIPIWXMPJKCOM-FQEVSTJZSA-N 2 1 440.632 3.780 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccnc(Cl)c2)C1 ZINC000011843045 556366331 /nfs/dbraw/zinc/36/63/31/556366331.db2.gz CIXHZHDHGDNTIL-IBGZPJMESA-N 2 1 445.007 3.660 50 0 IHAAMP CCOc1cc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)ccc1OC ZINC000012030461 556388624 /nfs/dbraw/zinc/38/86/24/556388624.db2.gz YMVZXOHMCRRIGD-FQEVSTJZSA-N 2 1 431.621 3.639 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccc(F)c2)C1 ZINC000014958462 556462965 /nfs/dbraw/zinc/46/29/65/556462965.db2.gz RYDHEAXFQMDPTG-FQEVSTJZSA-N 2 1 427.564 3.750 50 0 IHAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000014967231 556465950 /nfs/dbraw/zinc/46/59/50/556465950.db2.gz BZOZVKUSOFSRHI-QHCPKHFHSA-N 2 1 436.600 3.611 50 0 IHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000014967231 556465951 /nfs/dbraw/zinc/46/59/51/556465951.db2.gz BZOZVKUSOFSRHI-QHCPKHFHSA-N 2 1 436.600 3.611 50 0 IHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000014967231 556465953 /nfs/dbraw/zinc/46/59/53/556465953.db2.gz BZOZVKUSOFSRHI-QHCPKHFHSA-N 2 1 436.600 3.611 50 0 IHAAMP COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015063290 556490906 /nfs/dbraw/zinc/49/09/06/556490906.db2.gz YEMBQXWSPHPQAL-XMMPIXPASA-N 2 1 448.648 3.948 50 0 IHAAMP COc1cc(C[NH+](C)CCC2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000015063290 556490908 /nfs/dbraw/zinc/49/09/08/556490908.db2.gz YEMBQXWSPHPQAL-XMMPIXPASA-N 2 1 448.648 3.948 50 0 IHAAMP COc1cc(C[NH+](C)CCC2CCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015063290 556490911 /nfs/dbraw/zinc/49/09/11/556490911.db2.gz YEMBQXWSPHPQAL-XMMPIXPASA-N 2 1 448.648 3.948 50 0 IHAAMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000097164306 556994481 /nfs/dbraw/zinc/99/44/81/556994481.db2.gz CCMPERODMHCLKH-XMSQKQJNSA-N 2 1 448.007 3.943 50 0 IHAAMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000097164306 556994485 /nfs/dbraw/zinc/99/44/85/556994485.db2.gz CCMPERODMHCLKH-XMSQKQJNSA-N 2 1 448.007 3.943 50 0 IHAAMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000101263549 557264667 /nfs/dbraw/zinc/26/46/67/557264667.db2.gz ODYINPFMZIJYIN-NOGMDXJMSA-N 2 1 448.648 3.692 50 0 IHAAMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000239377905 568911310 /nfs/dbraw/zinc/91/13/10/568911310.db2.gz ODYINPFMZIJYIN-YWIRWFRESA-N 2 1 448.648 3.692 50 0 IHAAMP CN(C1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000253370180 569264148 /nfs/dbraw/zinc/26/41/48/569264148.db2.gz NISHWYGBUXMQHC-RBUKOAKNSA-N 2 1 447.567 3.663 50 0 IHAAMP CC1CC[NH+](Cc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)CC1 ZINC000020576288 521026397 /nfs/dbraw/zinc/02/63/97/521026397.db2.gz RQSGNJXOLJDNND-UHFFFAOYSA-N 2 1 436.629 3.883 50 0 IHAAMP CN(C)c1ccccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012319298 521747884 /nfs/dbraw/zinc/74/78/84/521747884.db2.gz RAUNRTKRYRQWNQ-OAQYLSRUSA-N 2 1 440.607 3.808 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2ccccn2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012317952 522356633 /nfs/dbraw/zinc/35/66/33/522356633.db2.gz NNCFWPPREZQDGV-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2ccccn2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012317952 522356641 /nfs/dbraw/zinc/35/66/41/522356641.db2.gz NNCFWPPREZQDGV-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2ccccn2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012317952 522356646 /nfs/dbraw/zinc/35/66/46/522356646.db2.gz NNCFWPPREZQDGV-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2ccccn2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012317952 522356651 /nfs/dbraw/zinc/35/66/51/522356651.db2.gz NNCFWPPREZQDGV-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012459504 524069096 /nfs/dbraw/zinc/06/90/96/524069096.db2.gz ZBXQOQJSLRZVMB-AREMUKBSSA-N 2 1 446.591 3.824 50 0 IHAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc2sccc2[nH]1 ZINC000011769697 556350103 /nfs/dbraw/zinc/35/01/03/556350103.db2.gz SPMCMHFKJFYLJJ-LJQANCHMSA-N 2 1 432.634 3.514 50 0 IHAAMP C[N@@H+](Cc1ccc2nsnc2c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011879006 556371328 /nfs/dbraw/zinc/37/13/28/556371328.db2.gz ABGWFNRSEHWNHW-FQEVSTJZSA-N 2 1 426.586 3.549 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011954427 556676737 /nfs/dbraw/zinc/67/67/37/556676737.db2.gz FNYMTRXHHPYWJD-JOCHJYFZSA-N 2 1 444.620 3.673 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011954427 556676740 /nfs/dbraw/zinc/67/67/40/556676740.db2.gz FNYMTRXHHPYWJD-JOCHJYFZSA-N 2 1 444.620 3.673 50 0 IHAAMP Cc1cccc(-c2ncc(C[N@@H+]3CCC[C@H](CCC(=O)N(C)C4CC[NH+](C)CC4)C3)cn2)c1 ZINC000023145013 557068255 /nfs/dbraw/zinc/06/82/55/557068255.db2.gz MZENPEUZBWFCOF-JOCHJYFZSA-N 2 1 449.643 3.997 50 0 IHAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907581 557124440 /nfs/dbraw/zinc/12/44/40/557124440.db2.gz NGEZKGNFMZHMJM-HYBUGGRVSA-N 2 1 447.627 3.508 50 0 IHAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907584 557124546 /nfs/dbraw/zinc/12/45/46/557124546.db2.gz NGEZKGNFMZHMJM-GBXCKJPGSA-N 2 1 447.627 3.508 50 0 IHAAMP CC[N@@H+](Cc1ccccc1OCCO)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012716545 521386065 /nfs/dbraw/zinc/38/60/65/521386065.db2.gz GPASWASNZDZEQE-HSZRJFAPSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[N@H+](Cc1ccccc1OCCO)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012716545 521386071 /nfs/dbraw/zinc/38/60/71/521386071.db2.gz GPASWASNZDZEQE-HSZRJFAPSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccccc1OCCO)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012716545 521386078 /nfs/dbraw/zinc/38/60/78/521386078.db2.gz GPASWASNZDZEQE-HSZRJFAPSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccccc1OCCO)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012716545 521386085 /nfs/dbraw/zinc/38/60/85/521386085.db2.gz GPASWASNZDZEQE-HSZRJFAPSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(Cl)c(F)c1 ZINC000012752040 521632432 /nfs/dbraw/zinc/63/24/32/521632432.db2.gz KJPCMBRXIACCQI-HXUWFJFHSA-N 2 1 440.003 3.764 50 0 IHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cc(C2CC2)on1 ZINC000012299305 521749687 /nfs/dbraw/zinc/74/96/87/521749687.db2.gz HGUVUCWSROMICF-SFHVURJKSA-N 2 1 428.552 3.607 50 0 IHAAMP COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012594084 522453856 /nfs/dbraw/zinc/45/38/56/522453856.db2.gz AGSFPQOBDIHKKN-QHCPKHFHSA-N 2 1 442.600 3.868 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C(C)C)no2)C1 ZINC000012315333 524449965 /nfs/dbraw/zinc/44/99/65/524449965.db2.gz UPEVVTFCRGFEGM-HXUWFJFHSA-N 2 1 442.604 3.723 50 0 IHAAMP Cc1nccn1CCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012446322 527389390 /nfs/dbraw/zinc/38/93/90/527389390.db2.gz BCKHOOZSWUMLOM-QHCPKHFHSA-N 2 1 429.653 3.551 50 0 IHAAMP Cc1[nH+]ccn1CCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012446322 527389392 /nfs/dbraw/zinc/38/93/92/527389392.db2.gz BCKHOOZSWUMLOM-QHCPKHFHSA-N 3 1 429.653 3.551 50 0 IHAAMP Cc1[nH+]ccn1CCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012446322 527389399 /nfs/dbraw/zinc/38/93/99/527389399.db2.gz BCKHOOZSWUMLOM-QHCPKHFHSA-N 3 1 429.653 3.551 50 0 IHAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H](C)Cc4ccsc4)CC3)cc2)CC1 ZINC000014879984 556453183 /nfs/dbraw/zinc/45/31/83/556453183.db2.gz GRXMQQKEXLPUPR-FQEVSTJZSA-N 2 1 440.657 3.715 50 0 IHAAMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 ZINC000072284268 556475049 /nfs/dbraw/zinc/47/50/49/556475049.db2.gz KZISERCOKVKXSR-UXHICEINSA-N 2 1 429.527 3.561 50 0 IHAAMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[NH+]3CCc4ccccc4C3)cc2C1 ZINC000012131139 521587443 /nfs/dbraw/zinc/58/74/43/521587443.db2.gz VGXJEKVECLZGNP-RUZDIDTESA-N 2 1 433.596 3.840 50 0 IHAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000012131139 521587452 /nfs/dbraw/zinc/58/74/52/521587452.db2.gz VGXJEKVECLZGNP-RUZDIDTESA-N 2 1 433.596 3.840 50 0 IHAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000012131139 521587459 /nfs/dbraw/zinc/58/74/59/521587459.db2.gz VGXJEKVECLZGNP-RUZDIDTESA-N 2 1 433.596 3.840 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2sccc2C)C1 ZINC000012835851 524450349 /nfs/dbraw/zinc/45/03/49/524450349.db2.gz JKKPGVYOPRJAET-HXUWFJFHSA-N 2 1 429.630 3.981 50 0 IHAAMP O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014746487 556441132 /nfs/dbraw/zinc/44/11/32/556441132.db2.gz GWSYBRHRONCOCK-DNRSQYFGSA-N 2 1 435.612 3.669 50 0 IHAAMP Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000015077725 556499944 /nfs/dbraw/zinc/49/99/44/556499944.db2.gz RNLMYWQICYBEFT-HNNXBMFYSA-N 2 1 447.963 3.965 50 0 IHAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC4CCCC4)cc3)C[C@@H]2CCO)CC1 ZINC000023358926 557087370 /nfs/dbraw/zinc/08/73/70/557087370.db2.gz ZAFFDEJQLXOYHV-DEOSSOPVSA-N 2 1 429.649 3.749 50 0 IHAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C[C@@H]2CCO)CC1 ZINC000023358926 557087374 /nfs/dbraw/zinc/08/73/74/557087374.db2.gz ZAFFDEJQLXOYHV-DEOSSOPVSA-N 2 1 429.649 3.749 50 0 IHAAMP O=C(NCCC[NH+]1CCC2(CC1)OCc1ccccc12)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095938041 557334673 /nfs/dbraw/zinc/33/46/73/557334673.db2.gz MAKMQGKJURAJEN-VWLOTQADSA-N 2 1 433.596 3.679 50 0 IHAAMP CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000253370181 569264156 /nfs/dbraw/zinc/26/41/56/569264156.db2.gz NISHWYGBUXMQHC-RTBURBONSA-N 2 1 447.567 3.663 50 0 IHAAMP CCOC(=O)c1n[nH]cc1C[N@@H+](CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012300021 521595247 /nfs/dbraw/zinc/59/52/47/521595247.db2.gz AIZDYLGNKHGFMC-UHFFFAOYSA-N 2 1 442.604 3.965 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012593492 522350153 /nfs/dbraw/zinc/35/01/53/522350153.db2.gz GBRJUWDRSTZZQI-QFIPXVFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012593492 522350168 /nfs/dbraw/zinc/35/01/68/522350168.db2.gz GBRJUWDRSTZZQI-QFIPXVFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012593492 522350180 /nfs/dbraw/zinc/35/01/80/522350180.db2.gz GBRJUWDRSTZZQI-QFIPXVFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012593492 522350192 /nfs/dbraw/zinc/35/01/92/522350192.db2.gz GBRJUWDRSTZZQI-QFIPXVFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012593497 522352266 /nfs/dbraw/zinc/35/22/66/522352266.db2.gz GBRJUWDRSTZZQI-JOCHJYFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012593497 522352276 /nfs/dbraw/zinc/35/22/76/522352276.db2.gz GBRJUWDRSTZZQI-JOCHJYFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012593497 522352288 /nfs/dbraw/zinc/35/22/88/522352288.db2.gz GBRJUWDRSTZZQI-JOCHJYFZSA-N 2 1 444.620 3.671 50 0 IHAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012593497 522352293 /nfs/dbraw/zinc/35/22/93/522352293.db2.gz GBRJUWDRSTZZQI-JOCHJYFZSA-N 2 1 444.620 3.671 50 0 IHAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020869103 523344159 /nfs/dbraw/zinc/34/41/59/523344159.db2.gz JLTOALWBELDSHP-HHHXNRCGSA-N 2 1 445.607 3.881 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2oc(C)cc2C)C1 ZINC000012717156 524449262 /nfs/dbraw/zinc/44/92/62/524449262.db2.gz VITGPKSTPFKFFO-NRFANRHFSA-N 2 1 427.589 3.821 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCC(F)(F)F)C1 ZINC000012430396 524450029 /nfs/dbraw/zinc/45/00/29/524450029.db2.gz PUIXPOKJARENTK-SFHVURJKSA-N 2 1 429.527 3.640 50 0 IHAAMP Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cn2)cc1 ZINC000035403815 525906866 /nfs/dbraw/zinc/90/68/66/525906866.db2.gz XNXDLWHXSKLCBS-UHFFFAOYSA-N 2 1 447.627 3.747 50 0 IHAAMP Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cn2)cc1 ZINC000035403815 525906874 /nfs/dbraw/zinc/90/68/74/525906874.db2.gz XNXDLWHXSKLCBS-UHFFFAOYSA-N 2 1 447.627 3.747 50 0 IHAAMP O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000012913617 526757449 /nfs/dbraw/zinc/75/74/49/526757449.db2.gz ZVTHZKNSRZHPIO-LEWJYISDSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000012913617 526757456 /nfs/dbraw/zinc/75/74/56/526757456.db2.gz ZVTHZKNSRZHPIO-LEWJYISDSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012913617 526757463 /nfs/dbraw/zinc/75/74/63/526757463.db2.gz ZVTHZKNSRZHPIO-LEWJYISDSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012913617 526757466 /nfs/dbraw/zinc/75/74/66/526757466.db2.gz ZVTHZKNSRZHPIO-LEWJYISDSA-N 2 1 434.609 3.866 50 0 IHAAMP Cc1noc(C)c1CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012055792 556394090 /nfs/dbraw/zinc/39/40/90/556394090.db2.gz RWRYEUNHQTWVBH-NRFANRHFSA-N 2 1 444.595 3.666 50 0 IHAAMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000072305615 556553988 /nfs/dbraw/zinc/55/39/88/556553988.db2.gz NEEVLHXGCPMHNJ-DEOSSOPVSA-N 2 1 447.620 3.916 50 0 IHAAMP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc1C ZINC000055107770 556734982 /nfs/dbraw/zinc/73/49/82/556734982.db2.gz VFYPJBSMZCXCAL-RUZDIDTESA-N 2 1 427.633 3.583 50 0 IHAAMP CCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1C ZINC000023231805 557075720 /nfs/dbraw/zinc/07/57/20/557075720.db2.gz GNXJFAFXXXITRA-XMMPIXPASA-N 2 1 437.632 3.548 50 0 IHAAMP CCn1ncc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1C ZINC000023231805 557075724 /nfs/dbraw/zinc/07/57/24/557075724.db2.gz GNXJFAFXXXITRA-XMMPIXPASA-N 2 1 437.632 3.548 50 0 IHAAMP COc1ccc(C[N@@H+]2CCN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@@H]2CCO)cc1C ZINC000019301026 569317575 /nfs/dbraw/zinc/31/75/75/569317575.db2.gz IJNMQTVMEAXFOU-QFIPXVFZSA-N 2 1 443.657 3.730 50 0 IHAAMP COc1ccc(C[N@H+]2CCN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@@H]2CCO)cc1C ZINC000019301026 569317576 /nfs/dbraw/zinc/31/75/76/569317576.db2.gz IJNMQTVMEAXFOU-QFIPXVFZSA-N 2 1 443.657 3.730 50 0 IHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cc1c(F)cccc1F ZINC000012430822 521748685 /nfs/dbraw/zinc/74/86/85/521748685.db2.gz CIXNDPRINDYQIF-LJQANCHMSA-N 2 1 447.545 3.949 50 0 IHAAMP COc1ccc(C[NH2+]CCCc2cccnc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012434847 524070264 /nfs/dbraw/zinc/07/02/64/524070264.db2.gz PERIIMWQPZOLHK-RUZDIDTESA-N 2 1 449.595 3.684 50 0 IHAAMP COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCCC3)c2)c1 ZINC000012430368 525912096 /nfs/dbraw/zinc/91/20/96/525912096.db2.gz BIUJLWDMKAQXQP-JOCHJYFZSA-N 2 1 428.573 3.561 50 0 IHAAMP O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000012913613 526752336 /nfs/dbraw/zinc/75/23/36/526752336.db2.gz ZVTHZKNSRZHPIO-NHCUHLMSSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000012913613 526752343 /nfs/dbraw/zinc/75/23/43/526752343.db2.gz ZVTHZKNSRZHPIO-NHCUHLMSSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012913613 526752349 /nfs/dbraw/zinc/75/23/49/526752349.db2.gz ZVTHZKNSRZHPIO-NHCUHLMSSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012913613 526752354 /nfs/dbraw/zinc/75/23/54/526752354.db2.gz ZVTHZKNSRZHPIO-NHCUHLMSSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000014976065 556469014 /nfs/dbraw/zinc/46/90/14/556469014.db2.gz KJSBGRQXDGFUGD-QFIPXVFZSA-N 2 1 425.617 3.838 50 0 IHAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)CCOc2ccc(C)cc2)ccc1OC ZINC000015080195 556500699 /nfs/dbraw/zinc/50/06/99/556500699.db2.gz XKLCIUQPNLMXEO-QFIPXVFZSA-N 2 1 430.589 3.596 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011954416 556676824 /nfs/dbraw/zinc/67/68/24/556676824.db2.gz FNYMTRXHHPYWJD-QFIPXVFZSA-N 2 1 444.620 3.673 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011954416 556676827 /nfs/dbraw/zinc/67/68/27/556676827.db2.gz FNYMTRXHHPYWJD-QFIPXVFZSA-N 2 1 444.620 3.673 50 0 IHAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cnn3c2nc(C)cc3C)C[C@@]1(C)CO ZINC000055132144 556735696 /nfs/dbraw/zinc/73/56/96/556735696.db2.gz XAKKQBYZCWAYOJ-UCFCWBNQSA-N 2 1 442.007 3.923 50 0 IHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cnn3c2nc(C)cc3C)C[C@@]1(C)CO ZINC000055132144 556735698 /nfs/dbraw/zinc/73/56/98/556735698.db2.gz XAKKQBYZCWAYOJ-UCFCWBNQSA-N 2 1 442.007 3.923 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2cc(C)no2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012710452 522351775 /nfs/dbraw/zinc/35/17/75/522351775.db2.gz CAVYOSBUPGKWCT-OAQYLSRUSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2cc(C)no2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012710452 522351789 /nfs/dbraw/zinc/35/17/89/522351789.db2.gz CAVYOSBUPGKWCT-OAQYLSRUSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cc(C)no2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012710452 522351797 /nfs/dbraw/zinc/35/17/97/522351797.db2.gz CAVYOSBUPGKWCT-OAQYLSRUSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cc(C)no2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012710452 522351808 /nfs/dbraw/zinc/35/18/08/522351808.db2.gz CAVYOSBUPGKWCT-OAQYLSRUSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012707475 522469774 /nfs/dbraw/zinc/46/97/74/522469774.db2.gz YDGYKZZLLFRJIK-NRFANRHFSA-N 2 1 433.618 3.754 50 0 IHAAMP COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012707475 522469781 /nfs/dbraw/zinc/46/97/81/522469781.db2.gz YDGYKZZLLFRJIK-NRFANRHFSA-N 2 1 433.618 3.754 50 0 IHAAMP C[N@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012297708 523184825 /nfs/dbraw/zinc/18/48/25/523184825.db2.gz LRRQOVAYFKDRNX-JOCHJYFZSA-N 2 1 443.588 3.728 50 0 IHAAMP C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012297708 523184833 /nfs/dbraw/zinc/18/48/33/523184833.db2.gz LRRQOVAYFKDRNX-JOCHJYFZSA-N 2 1 443.588 3.728 50 0 IHAAMP C[N@@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCCC[NH+]2C)c1)Cc1cccc2cccnc21 ZINC000012338168 523317156 /nfs/dbraw/zinc/31/71/56/523317156.db2.gz LIPVAPWGJJRTOA-VWLOTQADSA-N 2 1 446.595 3.846 50 0 IHAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012338168 523317161 /nfs/dbraw/zinc/31/71/61/523317161.db2.gz LIPVAPWGJJRTOA-VWLOTQADSA-N 2 1 446.595 3.846 50 0 IHAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@@H]2CCCC[N@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012338168 523317171 /nfs/dbraw/zinc/31/71/71/523317171.db2.gz LIPVAPWGJJRTOA-VWLOTQADSA-N 2 1 446.595 3.846 50 0 IHAAMP COc1ccc(C[N@H+](C)Cc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011662051 556343638 /nfs/dbraw/zinc/34/36/38/556343638.db2.gz PRNIKZOMNWNTLM-QHCPKHFHSA-N 2 1 427.589 3.728 50 0 IHAAMP COc1ccc(C[N@@H+](C)Cc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011662051 556343640 /nfs/dbraw/zinc/34/36/40/556343640.db2.gz PRNIKZOMNWNTLM-QHCPKHFHSA-N 2 1 427.589 3.728 50 0 IHAAMP CN(C)c1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000011667392 556346545 /nfs/dbraw/zinc/34/65/45/556346545.db2.gz YZIKGQQTCFMYRA-OAQYLSRUSA-N 2 1 440.607 3.808 50 0 IHAAMP COCC[N@@H+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014957761 556462945 /nfs/dbraw/zinc/46/29/45/556462945.db2.gz MKOQGZNQWLAWEK-JOCHJYFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[N@H+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014957761 556462948 /nfs/dbraw/zinc/46/29/48/556462948.db2.gz MKOQGZNQWLAWEK-JOCHJYFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[NH+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014957761 556462952 /nfs/dbraw/zinc/46/29/52/556462952.db2.gz MKOQGZNQWLAWEK-JOCHJYFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[NH+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014957761 556462955 /nfs/dbraw/zinc/46/29/55/556462955.db2.gz MKOQGZNQWLAWEK-JOCHJYFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[N@@H+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014957757 556463149 /nfs/dbraw/zinc/46/31/49/556463149.db2.gz MKOQGZNQWLAWEK-QFIPXVFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[N@H+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014957757 556463152 /nfs/dbraw/zinc/46/31/52/556463152.db2.gz MKOQGZNQWLAWEK-QFIPXVFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[NH+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014957757 556463155 /nfs/dbraw/zinc/46/31/55/556463155.db2.gz MKOQGZNQWLAWEK-QFIPXVFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COCC[NH+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014957757 556463157 /nfs/dbraw/zinc/46/31/57/556463157.db2.gz MKOQGZNQWLAWEK-QFIPXVFZSA-N 2 1 445.611 3.595 50 0 IHAAMP COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015063289 556490973 /nfs/dbraw/zinc/49/09/73/556490973.db2.gz YEMBQXWSPHPQAL-DEOSSOPVSA-N 2 1 448.648 3.948 50 0 IHAAMP COc1cc(C[NH+](C)CCC2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000015063289 556490976 /nfs/dbraw/zinc/49/09/76/556490976.db2.gz YEMBQXWSPHPQAL-DEOSSOPVSA-N 2 1 448.648 3.948 50 0 IHAAMP COc1cc(C[NH+](C)CCC2CCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015063289 556490981 /nfs/dbraw/zinc/49/09/81/556490981.db2.gz YEMBQXWSPHPQAL-DEOSSOPVSA-N 2 1 448.648 3.948 50 0 IHAAMP Cc1ccc(C)c(C[N@@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCC[NH+](C)C)c1 ZINC000015069718 556494603 /nfs/dbraw/zinc/49/46/03/556494603.db2.gz MBPHUVIZWXAGDG-GOTSBHOMSA-N 2 1 429.605 3.856 50 0 IHAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000036385844 556597797 /nfs/dbraw/zinc/59/77/97/556597797.db2.gz SKVQWKVVWUKGFC-UHFFFAOYSA-N 2 1 429.524 3.964 50 0 IHAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000036385844 556597800 /nfs/dbraw/zinc/59/78/00/556597800.db2.gz SKVQWKVVWUKGFC-UHFFFAOYSA-N 2 1 429.524 3.964 50 0 IHAAMP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000023159460 557070259 /nfs/dbraw/zinc/07/02/59/557070259.db2.gz HRWNCVVIORCWMK-JOCHJYFZSA-N 2 1 437.632 3.726 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2cc(C)no2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014981595 557633439 /nfs/dbraw/zinc/63/34/39/557633439.db2.gz OVCJIGOJNADGFU-OAQYLSRUSA-N 2 1 431.577 3.629 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2cc(C)no2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014981595 557633442 /nfs/dbraw/zinc/63/34/42/557633442.db2.gz OVCJIGOJNADGFU-OAQYLSRUSA-N 2 1 431.577 3.629 50 0 IHAAMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000239377903 568911391 /nfs/dbraw/zinc/91/13/91/568911391.db2.gz ODYINPFMZIJYIN-DSWIYJMJSA-N 2 1 448.648 3.692 50 0 IHAAMP C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102957 569177271 /nfs/dbraw/zinc/17/72/71/569177271.db2.gz NILKEYZRQOIGIQ-CSXHVWADSA-N 2 1 438.612 3.526 50 0 IHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cc1c(F)cccc1F ZINC000012430823 521749301 /nfs/dbraw/zinc/74/93/01/521749301.db2.gz CIXNDPRINDYQIF-IBGZPJMESA-N 2 1 447.545 3.949 50 0 IHAAMP CCc1cc(C(=O)N(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n(C)n1 ZINC000012193771 523751231 /nfs/dbraw/zinc/75/12/31/523751231.db2.gz NMHJUYGBCJQNTJ-OAQYLSRUSA-N 2 1 429.653 3.565 50 0 IHAAMP COCC[N@H+](Cc1ccc(OCCO)cc1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012226499 523751451 /nfs/dbraw/zinc/75/14/51/523751451.db2.gz JAOJVSNSCDWCCE-UHFFFAOYSA-N 2 1 430.564 3.557 50 0 IHAAMP COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)c(OC)c1 ZINC000012762594 523780202 /nfs/dbraw/zinc/78/02/02/523780202.db2.gz CYLIEGYCQGEHQM-FQEVSTJZSA-N 2 1 426.557 3.739 50 0 IHAAMP Cc1cc(C)n(CC[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)n1 ZINC000012476615 524525366 /nfs/dbraw/zinc/52/53/66/524525366.db2.gz KIPYOOZCHQTXTQ-DEOSSOPVSA-N 2 1 428.621 3.636 50 0 IHAAMP Cc1cc(C)n(CC[NH+](C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000012476615 524525381 /nfs/dbraw/zinc/52/53/81/524525381.db2.gz KIPYOOZCHQTXTQ-DEOSSOPVSA-N 2 1 428.621 3.636 50 0 IHAAMP Cc1cc(C)n(CC[NH+](C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000012476615 524525390 /nfs/dbraw/zinc/52/53/90/524525390.db2.gz KIPYOOZCHQTXTQ-DEOSSOPVSA-N 2 1 428.621 3.636 50 0 IHAAMP O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014139813 556376067 /nfs/dbraw/zinc/37/60/67/556376067.db2.gz NFXZQBJAQARFFD-DEOSSOPVSA-N 2 1 449.595 3.766 50 0 IHAAMP O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014139813 556376068 /nfs/dbraw/zinc/37/60/68/556376068.db2.gz NFXZQBJAQARFFD-DEOSSOPVSA-N 2 1 449.595 3.766 50 0 IHAAMP O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014139812 556376179 /nfs/dbraw/zinc/37/61/79/556376179.db2.gz NFXZQBJAQARFFD-XMMPIXPASA-N 2 1 449.595 3.766 50 0 IHAAMP O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014139812 556376184 /nfs/dbraw/zinc/37/61/84/556376184.db2.gz NFXZQBJAQARFFD-XMMPIXPASA-N 2 1 449.595 3.766 50 0 IHAAMP O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000014986376 556472742 /nfs/dbraw/zinc/47/27/42/556472742.db2.gz VGGDMNISFGKUKC-FBBABVLZSA-N 2 1 448.007 3.804 50 0 IHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)COc1ccccc1 ZINC000015075307 556498884 /nfs/dbraw/zinc/49/88/84/556498884.db2.gz WEPSWFZGBPFCAX-NRFANRHFSA-N 2 1 427.564 3.507 50 0 IHAAMP O=C(NCCC[NH+]1CCC2(CC1)OCc1ccccc12)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000013679981 556556353 /nfs/dbraw/zinc/55/63/53/556556353.db2.gz MAKMQGKJURAJEN-RUZDIDTESA-N 2 1 433.596 3.679 50 0 in-vitro IHAAMP CCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1C ZINC000023231802 557075649 /nfs/dbraw/zinc/07/56/49/557075649.db2.gz GNXJFAFXXXITRA-DEOSSOPVSA-N 2 1 437.632 3.548 50 0 IHAAMP CCn1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1C ZINC000023231802 557075653 /nfs/dbraw/zinc/07/56/53/557075653.db2.gz GNXJFAFXXXITRA-DEOSSOPVSA-N 2 1 437.632 3.548 50 0 IHAAMP O=C(CC[C@H]1CCC[N@@H+](C2CSCCSC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379887 557088815 /nfs/dbraw/zinc/08/88/15/557088815.db2.gz OZFVJXCLMSUIEZ-JOCHJYFZSA-N 2 1 447.714 3.672 50 0 IHAAMP O=C(CC[C@H]1CCC[N@H+](C2CSCCSC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379887 557088817 /nfs/dbraw/zinc/08/88/17/557088817.db2.gz OZFVJXCLMSUIEZ-JOCHJYFZSA-N 2 1 447.714 3.672 50 0 IHAAMP C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(OC4CC[NH+](CCc5ccccc5)CC4)cc3)C2)C1 ZINC000014981585 557633415 /nfs/dbraw/zinc/63/34/15/557633415.db2.gz VOGJTYCSQSNILP-MUUNZHRXSA-N 2 1 447.623 3.940 50 0 IHAAMP COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012587048 522352116 /nfs/dbraw/zinc/35/21/16/522352116.db2.gz VZIDTJQUTJGPRY-DEOSSOPVSA-N 2 1 448.648 3.950 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2oc(C)cc2C)C1 ZINC000012717153 524449706 /nfs/dbraw/zinc/44/97/06/524449706.db2.gz VITGPKSTPFKFFO-OAQYLSRUSA-N 2 1 427.589 3.821 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccccc2OC)C1 ZINC000012315211 524450326 /nfs/dbraw/zinc/45/03/26/524450326.db2.gz CRAYZZDQYFDMKW-NRFANRHFSA-N 2 1 439.600 3.620 50 0 IHAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000012836148 524927005 /nfs/dbraw/zinc/92/70/05/524927005.db2.gz CRVCZAWXKXUQDJ-XMMPIXPASA-N 2 1 443.632 3.893 50 0 IHAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000012836148 524927014 /nfs/dbraw/zinc/92/70/14/524927014.db2.gz CRVCZAWXKXUQDJ-XMMPIXPASA-N 2 1 443.632 3.893 50 0 IHAAMP C[N@@H+](Cc1c(C(=O)N2CCC[NH+](C)CC2)nc2sccn12)[C@@H]1CCCc2ccccc21 ZINC000011820261 556362011 /nfs/dbraw/zinc/36/20/11/556362011.db2.gz UQFLNEGBDZAKCR-HXUWFJFHSA-N 2 1 437.613 3.683 50 0 IHAAMP C[NH+](Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12)[C@@H]1CCCc2ccccc21 ZINC000011820261 556362014 /nfs/dbraw/zinc/36/20/14/556362014.db2.gz UQFLNEGBDZAKCR-HXUWFJFHSA-N 2 1 437.613 3.683 50 0 IHAAMP C[NH+](Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12)[C@@H]1CCCc2ccccc21 ZINC000011820261 556362015 /nfs/dbraw/zinc/36/20/15/556362015.db2.gz UQFLNEGBDZAKCR-HXUWFJFHSA-N 2 1 437.613 3.683 50 0 IHAAMP COc1ccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000012029341 556388532 /nfs/dbraw/zinc/38/85/32/556388532.db2.gz DXWHLTFYBKVFRW-QFIPXVFZSA-N 2 1 441.591 3.679 50 0 IHAAMP CCn1nc(C)c(C[NH2+]Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)c1C ZINC000011840171 556660276 /nfs/dbraw/zinc/66/02/76/556660276.db2.gz SGZRVCUCPYYSJI-HSZRJFAPSA-N 2 1 428.621 3.814 50 0 IHAAMP O=C(CC[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019220799 556715154 /nfs/dbraw/zinc/71/51/54/556715154.db2.gz GVOUYCIGQFWZQD-JOCHJYFZSA-N 2 1 447.583 3.559 50 0 IHAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019220799 556715156 /nfs/dbraw/zinc/71/51/56/556715156.db2.gz GVOUYCIGQFWZQD-JOCHJYFZSA-N 2 1 447.583 3.559 50 0 IHAAMP C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008917849 556851348 /nfs/dbraw/zinc/85/13/48/556851348.db2.gz NILKEYZRQOIGIQ-HOAOBNHOSA-N 2 1 438.612 3.526 50 0 IHAAMP CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)C[C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000023338586 557085199 /nfs/dbraw/zinc/08/51/99/557085199.db2.gz XMSBQVQYFNNYKN-XMMPIXPASA-N 2 1 428.665 3.895 50 0 IHAAMP C[NH+]1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)C[C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000023338586 557085202 /nfs/dbraw/zinc/08/52/02/557085202.db2.gz XMSBQVQYFNNYKN-XMMPIXPASA-N 3 1 428.665 3.895 50 0 IHAAMP C[NH+]1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)C[C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000023338586 557085206 /nfs/dbraw/zinc/08/52/06/557085206.db2.gz XMSBQVQYFNNYKN-XMMPIXPASA-N 3 1 428.665 3.895 50 0 IHAAMP O=C(CC[C@@H]1CCC[N@@H+](C2CSCCSC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379885 557088873 /nfs/dbraw/zinc/08/88/73/557088873.db2.gz OZFVJXCLMSUIEZ-QFIPXVFZSA-N 2 1 447.714 3.672 50 0 IHAAMP O=C(CC[C@@H]1CCC[N@H+](C2CSCCSC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379885 557088875 /nfs/dbraw/zinc/08/88/75/557088875.db2.gz OZFVJXCLMSUIEZ-QFIPXVFZSA-N 2 1 447.714 3.672 50 0 IHAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000221892709 557327177 /nfs/dbraw/zinc/32/71/77/557327177.db2.gz CCMPERODMHCLKH-AVRDEDQJSA-N 2 1 448.007 3.943 50 0 IHAAMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000221892709 557327179 /nfs/dbraw/zinc/32/71/79/557327179.db2.gz CCMPERODMHCLKH-AVRDEDQJSA-N 2 1 448.007 3.943 50 0 IHAAMP Cc1ccc(NC(=O)NCCC[N@H+](C)C(C)C)cc1NC(=O)NCCC[NH+](C)C(C)C ZINC000031087272 569453338 /nfs/dbraw/zinc/45/33/38/569453338.db2.gz RQGSUWILDPGWAQ-UHFFFAOYSA-N 2 1 434.629 3.699 50 0 IHAAMP Cc1ccc(NC(=O)NCCC[NH+](C)C(C)C)cc1NC(=O)NCCC[N@H+](C)C(C)C ZINC000031087272 569453339 /nfs/dbraw/zinc/45/33/39/569453339.db2.gz RQGSUWILDPGWAQ-UHFFFAOYSA-N 2 1 434.629 3.699 50 0 IHAAMP Cc1ccc(NC(=O)NCCC[NH+](C)C(C)C)cc1NC(=O)NCCC[N@@H+](C)C(C)C ZINC000031087272 569453340 /nfs/dbraw/zinc/45/33/40/569453340.db2.gz RQGSUWILDPGWAQ-UHFFFAOYSA-N 2 1 434.629 3.699 50 0 IHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cc1ccccc1F ZINC000012314851 521749818 /nfs/dbraw/zinc/74/98/18/521749818.db2.gz SSGGABRAROLMCN-FQEVSTJZSA-N 2 1 429.555 3.810 50 0 IHAAMP COc1cc(C[N@H+](C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012710446 522348789 /nfs/dbraw/zinc/34/87/89/522348789.db2.gz CAVYOSBUPGKWCT-NRFANRHFSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012710446 522348797 /nfs/dbraw/zinc/34/87/97/522348797.db2.gz CAVYOSBUPGKWCT-NRFANRHFSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012710446 522348806 /nfs/dbraw/zinc/34/88/06/522348806.db2.gz CAVYOSBUPGKWCT-NRFANRHFSA-N 2 1 431.577 3.628 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012710446 522348811 /nfs/dbraw/zinc/34/88/11/522348811.db2.gz CAVYOSBUPGKWCT-NRFANRHFSA-N 2 1 431.577 3.628 50 0 IHAAMP COCc1ccc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000012701237 522973009 /nfs/dbraw/zinc/97/30/09/522973009.db2.gz DLFDRKUXNZSWIV-QHCPKHFHSA-N 2 1 439.600 3.809 50 0 IHAAMP COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000020783519 524559049 /nfs/dbraw/zinc/55/90/49/524559049.db2.gz OMLGGWJNXAOUHY-AREMUKBSSA-N 2 1 448.655 3.946 50 0 IHAAMP Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000035561572 525208525 /nfs/dbraw/zinc/20/85/25/525208525.db2.gz JACUXLDYGQUPBO-UHFFFAOYSA-N 2 1 444.623 3.984 50 0 IHAAMP CSc1ncccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012455883 526222570 /nfs/dbraw/zinc/22/25/70/526222570.db2.gz UUDVEVFYUYNFJA-LJQANCHMSA-N 2 1 444.620 3.859 50 0 IHAAMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000041273684 527663988 /nfs/dbraw/zinc/66/39/88/527663988.db2.gz VERBZCLCUOJEPD-UHFFFAOYSA-N 2 1 445.995 3.594 50 0 IHAAMP CN(C)c1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000011667396 556346533 /nfs/dbraw/zinc/34/65/33/556346533.db2.gz YZIKGQQTCFMYRA-NRFANRHFSA-N 2 1 440.607 3.808 50 0 IHAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000011839926 556364222 /nfs/dbraw/zinc/36/42/22/556364222.db2.gz HPRCYYDINARDCJ-JOCHJYFZSA-N 2 1 430.614 3.506 50 0 IHAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000019791259 556915295 /nfs/dbraw/zinc/91/52/95/556915295.db2.gz NNYUWPVHCHTMBB-UHFFFAOYSA-N 2 1 439.610 3.678 50 0 IHAAMP COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023338452 557085191 /nfs/dbraw/zinc/08/51/91/557085191.db2.gz CQEVMIVLSGASMI-HSZRJFAPSA-N 2 1 441.616 3.735 50 0 IHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)Cc2ccncc2)CC1 ZINC000011661327 557234334 /nfs/dbraw/zinc/23/43/34/557234334.db2.gz SAZWEHHFGOAALR-UHFFFAOYSA-N 2 1 437.563 3.971 50 0 IHAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002102967 569179892 /nfs/dbraw/zinc/17/98/92/569179892.db2.gz NILKEYZRQOIGIQ-INKRWSNDSA-N 2 1 438.612 3.526 50 0 biogenic IHAAMP COc1ccc(C[NH2+]CCc2ncccc2C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019229343 569316511 /nfs/dbraw/zinc/31/65/11/569316511.db2.gz WVWDFCKCCLKTLK-XMMPIXPASA-N 2 1 449.595 3.603 50 0 IHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cc(C2CC2)on1 ZINC000012299304 521748258 /nfs/dbraw/zinc/74/82/58/521748258.db2.gz HGUVUCWSROMICF-GOSISDBHSA-N 2 1 428.552 3.607 50 0 IHAAMP CCn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c(C)n1 ZINC000012576574 523372296 /nfs/dbraw/zinc/37/22/96/523372296.db2.gz XSSXZYAMWUTUHZ-DEOSSOPVSA-N 2 1 437.632 3.548 50 0 IHAAMP CCn1cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c(C)n1 ZINC000012576574 523372305 /nfs/dbraw/zinc/37/23/05/523372305.db2.gz XSSXZYAMWUTUHZ-DEOSSOPVSA-N 2 1 437.632 3.548 50 0 IHAAMP Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012307275 524144555 /nfs/dbraw/zinc/14/45/55/524144555.db2.gz HASHDAHYTBHTLJ-QFIPXVFZSA-N 2 1 437.632 3.726 50 0 IHAAMP Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012307275 524144565 /nfs/dbraw/zinc/14/45/65/524144565.db2.gz HASHDAHYTBHTLJ-QFIPXVFZSA-N 2 1 437.632 3.726 50 0 IHAAMP COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC1)cn2C ZINC000035457827 525601639 /nfs/dbraw/zinc/60/16/39/525601639.db2.gz CHIPIWXMPJKCOM-HXUWFJFHSA-N 2 1 440.632 3.780 50 0 IHAAMP Cc1ccccc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011817348 556359578 /nfs/dbraw/zinc/35/95/78/556359578.db2.gz YJUVHWDWVOGHQW-QFIPXVFZSA-N 2 1 425.592 3.979 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccnc(Cl)c2)C1 ZINC000011843044 556366338 /nfs/dbraw/zinc/36/63/38/556366338.db2.gz CIXHZHDHGDNTIL-LJQANCHMSA-N 2 1 445.007 3.660 50 0 IHAAMP C[N@@H+](Cc1ccc2nsnc2c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011879007 556371365 /nfs/dbraw/zinc/37/13/65/556371365.db2.gz ABGWFNRSEHWNHW-HXUWFJFHSA-N 2 1 426.586 3.549 50 0 IHAAMP COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1C ZINC000011998025 556384957 /nfs/dbraw/zinc/38/49/57/556384957.db2.gz UBQISDYGSWTETD-RUZDIDTESA-N 2 1 447.623 3.950 50 0 IHAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019220790 556715135 /nfs/dbraw/zinc/71/51/35/556715135.db2.gz GVOUYCIGQFWZQD-QFIPXVFZSA-N 2 1 447.583 3.559 50 0 IHAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019220790 556715137 /nfs/dbraw/zinc/71/51/37/556715137.db2.gz GVOUYCIGQFWZQD-QFIPXVFZSA-N 2 1 447.583 3.559 50 0 IHAAMP CC[N@@H+](Cc1ccccc1OCCO)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012716542 521387117 /nfs/dbraw/zinc/38/71/17/521387117.db2.gz GPASWASNZDZEQE-QHCPKHFHSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[N@H+](Cc1ccccc1OCCO)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012716542 521387122 /nfs/dbraw/zinc/38/71/22/521387122.db2.gz GPASWASNZDZEQE-QHCPKHFHSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccccc1OCCO)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012716542 521387129 /nfs/dbraw/zinc/38/71/29/521387129.db2.gz GPASWASNZDZEQE-QHCPKHFHSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccccc1OCCO)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012716542 521387136 /nfs/dbraw/zinc/38/71/36/521387136.db2.gz GPASWASNZDZEQE-QHCPKHFHSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCOc2ccc(C[NH+]3CCc4ccccc4C3)cc2C1 ZINC000012131143 521597008 /nfs/dbraw/zinc/59/70/08/521597008.db2.gz VGXJEKVECLZGNP-VWLOTQADSA-N 2 1 433.596 3.840 50 0 IHAAMP CC[NH+]1CCCC[C@H]1C(=O)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000012131143 521597012 /nfs/dbraw/zinc/59/70/12/521597012.db2.gz VGXJEKVECLZGNP-VWLOTQADSA-N 2 1 433.596 3.840 50 0 IHAAMP CC[NH+]1CCCC[C@H]1C(=O)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000012131143 521597014 /nfs/dbraw/zinc/59/70/14/521597014.db2.gz VGXJEKVECLZGNP-VWLOTQADSA-N 2 1 433.596 3.840 50 0 IHAAMP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000012593625 522469249 /nfs/dbraw/zinc/46/92/49/522469249.db2.gz SSWPEQOJLXGFMR-UHFFFAOYSA-N 2 1 434.628 3.890 50 0 IHAAMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000012593625 522469257 /nfs/dbraw/zinc/46/92/57/522469257.db2.gz SSWPEQOJLXGFMR-UHFFFAOYSA-N 2 1 434.628 3.890 50 0 IHAAMP CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000012199715 522658964 /nfs/dbraw/zinc/65/89/64/522658964.db2.gz UUMWIRAFOYIUMO-HXUWFJFHSA-N 2 1 425.539 3.760 50 0 IHAAMP COCc1ccc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000012701230 522973478 /nfs/dbraw/zinc/97/34/78/522973478.db2.gz DLFDRKUXNZSWIV-HSZRJFAPSA-N 2 1 439.600 3.809 50 0 IHAAMP CCn1nc(C)cc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012476675 523672807 /nfs/dbraw/zinc/67/28/07/523672807.db2.gz RRFOGELBMGAFMJ-QFIPXVFZSA-N 2 1 429.653 3.794 50 0 IHAAMP C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]4C[N@@H+](Cc5cccs5)CC[C@H]43)cc2)CC1 ZINC000012149976 523924186 /nfs/dbraw/zinc/92/41/86/523924186.db2.gz MGIOKWBGAAOQID-ZJSXRUAMSA-N 2 1 438.641 3.627 50 0 IHAAMP COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)c1 ZINC000012430367 525912957 /nfs/dbraw/zinc/91/29/57/525912957.db2.gz BIUJLWDMKAQXQP-QFIPXVFZSA-N 2 1 428.573 3.561 50 0 IHAAMP CCOc1cc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)ccc1OC ZINC000012030465 556388585 /nfs/dbraw/zinc/38/85/85/556388585.db2.gz YMVZXOHMCRRIGD-HXUWFJFHSA-N 2 1 431.621 3.639 50 0 IHAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000012090279 556402369 /nfs/dbraw/zinc/40/23/69/556402369.db2.gz FLPSLTUVUGCSAO-HXUWFJFHSA-N 2 1 429.605 3.695 50 0 IHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC3CCOCC3)CC2)CC1 ZINC000014975784 556468386 /nfs/dbraw/zinc/46/83/86/556468386.db2.gz YUIRPRBJGMQUFT-UHFFFAOYSA-N 2 1 427.633 3.556 50 0 IHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cc1ccc(F)c(F)c1 ZINC000012725814 521749239 /nfs/dbraw/zinc/74/92/39/521749239.db2.gz WVSHETRISRVUJK-FQEVSTJZSA-N 2 1 447.545 3.949 50 0 IHAAMP COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(Cl)cc1O ZINC000012431568 522375506 /nfs/dbraw/zinc/37/55/06/522375506.db2.gz IQFGQPDIFWZDQS-KRWDZBQOSA-N 2 1 438.012 3.599 50 0 IHAAMP CCn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c(C)n1 ZINC000012576579 523373756 /nfs/dbraw/zinc/37/37/56/523373756.db2.gz XSSXZYAMWUTUHZ-XMMPIXPASA-N 2 1 437.632 3.548 50 0 IHAAMP CCn1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c(C)n1 ZINC000012576579 523373767 /nfs/dbraw/zinc/37/37/67/523373767.db2.gz XSSXZYAMWUTUHZ-XMMPIXPASA-N 2 1 437.632 3.548 50 0 IHAAMP C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012024190 556387305 /nfs/dbraw/zinc/38/73/05/556387305.db2.gz YJXCDHFPJPQVPY-RUZDIDTESA-N 2 1 434.584 3.730 50 0 IHAAMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 ZINC000072284274 556473616 /nfs/dbraw/zinc/47/36/16/556473616.db2.gz KZISERCOKVKXSR-VQTJNVASSA-N 2 1 429.527 3.561 50 0 IHAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000022922913 557047890 /nfs/dbraw/zinc/04/78/90/557047890.db2.gz YWFKBWFLDDGLAY-WIOPSUGQSA-N 2 1 438.591 3.683 50 0 IHAAMP CCOc1c(Br)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000017318134 557057453 /nfs/dbraw/zinc/05/74/53/557057453.db2.gz ZSYGGWRGBHGVKT-UHFFFAOYSA-N 2 1 449.389 3.978 50 0 IHAAMP COCC[N@@H+](Cc1c(C)nn(C)c1Cl)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000023367346 557088499 /nfs/dbraw/zinc/08/84/99/557088499.db2.gz GJGCNOPKBXYYOF-UHFFFAOYSA-N 2 1 435.012 3.751 50 0 IHAAMP COCC[N@H+](Cc1c(C)nn(C)c1Cl)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000023367346 557088504 /nfs/dbraw/zinc/08/85/04/557088504.db2.gz GJGCNOPKBXYYOF-UHFFFAOYSA-N 2 1 435.012 3.751 50 0 IHAAMP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012576134 522447058 /nfs/dbraw/zinc/44/70/58/522447058.db2.gz SCWQIZADCVDEJY-XMMPIXPASA-N 3 1 447.664 3.521 50 0 IHAAMP C[N@@H+](CCc1ccccn1)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000012304483 522966346 /nfs/dbraw/zinc/96/63/46/522966346.db2.gz DUANZBTZHWHVBU-AREMUKBSSA-N 2 1 431.580 3.554 50 0 IHAAMP C[NH+](CCc1ccccn1)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012304483 522966354 /nfs/dbraw/zinc/96/63/54/522966354.db2.gz DUANZBTZHWHVBU-AREMUKBSSA-N 2 1 431.580 3.554 50 0 IHAAMP C[NH+](CCc1ccccn1)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012304483 522966363 /nfs/dbraw/zinc/96/63/63/522966363.db2.gz DUANZBTZHWHVBU-AREMUKBSSA-N 2 1 431.580 3.554 50 0 IHAAMP C[N@H+](Cc1cnc(N2CCOCC2)s1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012439870 523497507 /nfs/dbraw/zinc/49/75/07/523497507.db2.gz UWJVWBZYGKLYNO-UHFFFAOYSA-N 2 1 432.609 3.505 50 0 IHAAMP COc1ccc(C[N@@H+](C)Cc2cccc3cnccc32)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012702232 524007433 /nfs/dbraw/zinc/00/74/33/524007433.db2.gz YTSUGSOWMFJROD-HSZRJFAPSA-N 2 1 435.568 3.711 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cc2cccc(F)c2)C1 ZINC000012314722 524448705 /nfs/dbraw/zinc/44/87/05/524448705.db2.gz HDBPSSGTSUGVFE-JOCHJYFZSA-N 2 1 441.591 3.679 50 0 IHAAMP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000012796479 525412355 /nfs/dbraw/zinc/41/23/55/525412355.db2.gz ZJPPRXSDTXOVTM-XMMPIXPASA-N 2 1 437.584 3.622 50 0 IHAAMP COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000012796479 525412366 /nfs/dbraw/zinc/41/23/66/525412366.db2.gz ZJPPRXSDTXOVTM-XMMPIXPASA-N 2 1 437.584 3.622 50 0 IHAAMP Cc1ccsc1C(=O)N(Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000020668167 525818907 /nfs/dbraw/zinc/81/89/07/525818907.db2.gz YVNPOHSIZLOWOB-UHFFFAOYSA-N 2 1 426.630 3.900 50 0 IHAAMP O=C(c1nc2ccccn2c1C[N@H+]1C[C@H]2C[C@@H]1CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000012305717 526917366 /nfs/dbraw/zinc/91/73/66/526917366.db2.gz KQMAYEODCYJXFK-IRLDBZIGSA-N 2 1 435.616 3.799 50 0 IHAAMP C[NH+](C[C@H](O)COc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1)C1CCCCC1 ZINC000004328600 556337947 /nfs/dbraw/zinc/33/79/47/556337947.db2.gz YZKSALQYGMMYST-PSWAGMNNSA-N 2 1 448.648 3.695 50 0 IHAAMP C[NH+](C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1)C1CCCCC1 ZINC000004328600 556337952 /nfs/dbraw/zinc/33/79/52/556337952.db2.gz YZKSALQYGMMYST-PSWAGMNNSA-N 2 1 448.648 3.695 50 0 IHAAMP C[NH+](C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1)C1CCCCC1 ZINC000004328600 556337955 /nfs/dbraw/zinc/33/79/55/556337955.db2.gz YZKSALQYGMMYST-PSWAGMNNSA-N 2 1 448.648 3.695 50 0 IHAAMP CC(=O)N1CCC([N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012072399 556396134 /nfs/dbraw/zinc/39/61/34/556396134.db2.gz ODGHDUVSUOMUIG-DEOSSOPVSA-N 2 1 431.596 3.530 50 0 IHAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)CCOc2ccc(C)cc2)ccc1OC ZINC000015080192 556500756 /nfs/dbraw/zinc/50/07/56/556500756.db2.gz XKLCIUQPNLMXEO-JOCHJYFZSA-N 2 1 430.589 3.596 50 0 IHAAMP Cc1cccn2c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055226756 556738180 /nfs/dbraw/zinc/73/81/80/556738180.db2.gz JNRZIOFLCGZTHY-QHCPKHFHSA-N 2 1 447.627 3.777 50 0 IHAAMP Cc1cccn2c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055226756 556738185 /nfs/dbraw/zinc/73/81/85/556738185.db2.gz JNRZIOFLCGZTHY-QHCPKHFHSA-N 2 1 447.627 3.777 50 0 IHAAMP Cn1c(C[N@@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000095480851 569374099 /nfs/dbraw/zinc/37/40/99/569374099.db2.gz TZPMLPPBCSENDJ-HSZRJFAPSA-N 2 1 429.564 3.639 50 0 IHAAMP Cn1c(C[N@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000095480851 569374101 /nfs/dbraw/zinc/37/41/01/569374101.db2.gz TZPMLPPBCSENDJ-HSZRJFAPSA-N 2 1 429.564 3.639 50 0 IHAAMP Cn1c(C[NH+]2CCc3ccccc3C2)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000095480851 569374103 /nfs/dbraw/zinc/37/41/03/569374103.db2.gz TZPMLPPBCSENDJ-HSZRJFAPSA-N 2 1 429.564 3.639 50 0 IHAAMP Cn1c(C[NH+]2CCc3ccccc3C2)cc(=O)c(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000095480851 569374105 /nfs/dbraw/zinc/37/41/05/569374105.db2.gz TZPMLPPBCSENDJ-HSZRJFAPSA-N 2 1 429.564 3.639 50 0 IHAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)CC1 ZINC000020782909 519670118 /nfs/dbraw/zinc/67/01/18/519670118.db2.gz BUMVXUQUPPCWHD-QFIPXVFZSA-N 2 1 428.646 3.552 50 0 IHAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)CC1 ZINC000020782909 519670120 /nfs/dbraw/zinc/67/01/20/519670120.db2.gz BUMVXUQUPPCWHD-QFIPXVFZSA-N 2 1 428.646 3.552 50 0 IHAAMP CCN1CCC[C@@H]1C[N@@H+](C/C=C/c1ccccc1OC)CC1CC[NH+](CCOC)CC1 ZINC000020542290 521633187 /nfs/dbraw/zinc/63/31/87/521633187.db2.gz FQSKJRYBCJOHAP-CZNRWDAFSA-N 2 1 429.649 3.853 50 0 IHAAMP CC[N@@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1OC)CC1CC[NH+](CCOC)CC1 ZINC000020542290 521633191 /nfs/dbraw/zinc/63/31/91/521633191.db2.gz FQSKJRYBCJOHAP-CZNRWDAFSA-N 2 1 429.649 3.853 50 0 IHAAMP CC[N@H+]1CCC[C@@H]1CN(C/C=C/c1ccccc1OC)CC1CC[NH+](CCOC)CC1 ZINC000020542290 521633192 /nfs/dbraw/zinc/63/31/92/521633192.db2.gz FQSKJRYBCJOHAP-CZNRWDAFSA-N 2 1 429.649 3.853 50 0 IHAAMP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012576125 522446829 /nfs/dbraw/zinc/44/68/29/522446829.db2.gz SCWQIZADCVDEJY-DEOSSOPVSA-N 3 1 447.664 3.521 50 0 IHAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]CCCOc2cccnc2)c1)C1CCCCC1 ZINC000012435856 523023091 /nfs/dbraw/zinc/02/30/91/523023091.db2.gz PMQIVVUKUHJRLP-HSZRJFAPSA-N 2 1 427.589 3.645 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cc2cccc(F)c2)C1 ZINC000012314723 524449768 /nfs/dbraw/zinc/44/97/68/524449768.db2.gz HDBPSSGTSUGVFE-QFIPXVFZSA-N 2 1 441.591 3.679 50 0 IHAAMP O=C(CCC1CC[NH+](Cc2ccc3nonc3c2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012707773 526409050 /nfs/dbraw/zinc/40/90/50/526409050.db2.gz XKUFVIADJZEJSZ-HSZRJFAPSA-N 2 1 447.583 3.606 50 0 IHAAMP O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000035262656 526756649 /nfs/dbraw/zinc/75/66/49/526756649.db2.gz ZVTHZKNSRZHPIO-SFTDATJTSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000035262656 526756658 /nfs/dbraw/zinc/75/66/58/526756658.db2.gz ZVTHZKNSRZHPIO-SFTDATJTSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035262656 526756665 /nfs/dbraw/zinc/75/66/65/526756665.db2.gz ZVTHZKNSRZHPIO-SFTDATJTSA-N 2 1 434.609 3.866 50 0 IHAAMP O=C(C[NH+]1CCC[C@H](c2nc3ccccc3s2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035262656 526756671 /nfs/dbraw/zinc/75/66/71/526756671.db2.gz ZVTHZKNSRZHPIO-SFTDATJTSA-N 2 1 434.609 3.866 50 0 IHAAMP CC(=O)N1CCC([N@@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064245 556491780 /nfs/dbraw/zinc/49/17/80/556491780.db2.gz QQCKLQOZYIBQOQ-HXUWFJFHSA-N 2 1 425.539 3.903 50 0 IHAAMP CC(=O)N1CCC([NH+](C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064245 556491783 /nfs/dbraw/zinc/49/17/83/556491783.db2.gz QQCKLQOZYIBQOQ-HXUWFJFHSA-N 2 1 425.539 3.903 50 0 IHAAMP CC(=O)N1CCC([NH+](C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000015064245 556491786 /nfs/dbraw/zinc/49/17/86/556491786.db2.gz QQCKLQOZYIBQOQ-HXUWFJFHSA-N 2 1 425.539 3.903 50 0 IHAAMP Cc1ccc(-c2ccccc2C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)o1 ZINC000039445479 556628879 /nfs/dbraw/zinc/62/88/79/556628879.db2.gz XIXPQVDDKOCDKJ-XMMPIXPASA-N 2 1 425.617 3.996 50 0 IHAAMP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000023159457 557070252 /nfs/dbraw/zinc/07/02/52/557070252.db2.gz HRWNCVVIORCWMK-QFIPXVFZSA-N 2 1 437.632 3.726 50 0 IHAAMP CC(C)n1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000012472899 519935028 /nfs/dbraw/zinc/93/50/28/519935028.db2.gz GORUTORTTMGREQ-FQEVSTJZSA-N 2 1 429.584 3.519 50 0 IHAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(Cl)c(F)c1 ZINC000012752044 521653007 /nfs/dbraw/zinc/65/30/07/521653007.db2.gz KJPCMBRXIACCQI-FQEVSTJZSA-N 2 1 440.003 3.764 50 0 IHAAMP CCn1nc(C)cc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012476669 523673405 /nfs/dbraw/zinc/67/34/05/523673405.db2.gz RRFOGELBMGAFMJ-JOCHJYFZSA-N 2 1 429.653 3.794 50 0 IHAAMP CN(C)C(=O)c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000012190650 524023390 /nfs/dbraw/zinc/02/33/90/524023390.db2.gz WYRDOHUAYPREHI-DEOSSOPVSA-N 2 1 448.655 3.902 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000011667829 556346391 /nfs/dbraw/zinc/34/63/91/556346391.db2.gz VDNMKOPFWGPFJC-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cccnc2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011667829 556346395 /nfs/dbraw/zinc/34/63/95/556346395.db2.gz VDNMKOPFWGPFJC-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cccnc2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011667829 556346397 /nfs/dbraw/zinc/34/63/97/556346397.db2.gz VDNMKOPFWGPFJC-HSZRJFAPSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000011667830 556346509 /nfs/dbraw/zinc/34/65/09/556346509.db2.gz VDNMKOPFWGPFJC-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cccnc2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011667830 556346512 /nfs/dbraw/zinc/34/65/12/556346512.db2.gz VDNMKOPFWGPFJC-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP COc1cc(C[NH+](C)Cc2cccnc2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011667830 556346515 /nfs/dbraw/zinc/34/65/15/556346515.db2.gz VDNMKOPFWGPFJC-QHCPKHFHSA-N 2 1 427.589 3.726 50 0 IHAAMP Cc1ncsc1CCNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000014961413 556464348 /nfs/dbraw/zinc/46/43/48/556464348.db2.gz GCEYQELTIJVLMH-UHFFFAOYSA-N 2 1 440.657 3.795 50 0 IHAAMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000072305616 556554052 /nfs/dbraw/zinc/55/40/52/556554052.db2.gz NEEVLHXGCPMHNJ-XMMPIXPASA-N 2 1 447.620 3.916 50 0 IHAAMP CCn1nc(C)c(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)c1C ZINC000011840169 556660302 /nfs/dbraw/zinc/66/03/02/556660302.db2.gz SGZRVCUCPYYSJI-QHCPKHFHSA-N 2 1 428.621 3.814 50 0 IHAAMP CC[N@H+](Cc1cccc(OCCO)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055053973 556732723 /nfs/dbraw/zinc/73/27/23/556732723.db2.gz NIJYPIQMJSOHTR-DEOSSOPVSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1cccc(OCCO)c1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055053973 556732725 /nfs/dbraw/zinc/73/27/25/556732725.db2.gz NIJYPIQMJSOHTR-DEOSSOPVSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1cccc(OCCO)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055053973 556732728 /nfs/dbraw/zinc/73/27/28/556732728.db2.gz NIJYPIQMJSOHTR-DEOSSOPVSA-N 2 1 426.601 3.843 50 0 IHAAMP COc1ccc(C[N@@H+]2CCN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2CCO)cc1C ZINC000104438066 557455299 /nfs/dbraw/zinc/45/52/99/557455299.db2.gz IJNMQTVMEAXFOU-JOCHJYFZSA-N 2 1 443.657 3.730 50 0 IHAAMP COc1ccc(C[N@H+]2CCN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2CCO)cc1C ZINC000104438066 557455302 /nfs/dbraw/zinc/45/53/02/557455302.db2.gz IJNMQTVMEAXFOU-JOCHJYFZSA-N 2 1 443.657 3.730 50 0 IHAAMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000009082763 569500555 /nfs/dbraw/zinc/50/05/55/569500555.db2.gz ODYINPFMZIJYIN-SSIAJPCRSA-N 2 1 448.648 3.692 50 0 IHAAMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000009082763 569500556 /nfs/dbraw/zinc/50/05/56/569500556.db2.gz ODYINPFMZIJYIN-SSIAJPCRSA-N 2 1 448.648 3.692 50 0 IHAAMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000009082763 569500557 /nfs/dbraw/zinc/50/05/57/569500557.db2.gz ODYINPFMZIJYIN-SSIAJPCRSA-N 2 1 448.648 3.692 50 0 IHAAMP CCOC(=O)c1n[nH]cc1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000020905898 521596082 /nfs/dbraw/zinc/59/60/82/521596082.db2.gz UUXGYHVIAJVYQC-NRFANRHFSA-N 2 1 445.652 3.529 50 0 IHAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(OC)c(O)c(OC)c2)C[C@@]1(C)CO ZINC000012761597 521730043 /nfs/dbraw/zinc/73/00/43/521730043.db2.gz RJBFNYQXOPAVHY-OUOWLKGYSA-N 2 1 448.991 3.987 50 0 IHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(OC)c(O)c(OC)c2)C[C@@]1(C)CO ZINC000012761597 521730045 /nfs/dbraw/zinc/73/00/45/521730045.db2.gz RJBFNYQXOPAVHY-OUOWLKGYSA-N 2 1 448.991 3.987 50 0 IHAAMP COCC[N@H+](Cc1ccc(OC)c(O)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012304026 523750032 /nfs/dbraw/zinc/75/00/32/523750032.db2.gz NDVKWDNVCCOBTD-UHFFFAOYSA-N 2 1 428.573 3.770 50 0 IHAAMP COc1ccccc1N1CC[NH+]([C@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000020783521 524561294 /nfs/dbraw/zinc/56/12/94/524561294.db2.gz OMLGGWJNXAOUHY-SANMLTNESA-N 2 1 448.655 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000012712649 527530318 /nfs/dbraw/zinc/53/03/18/527530318.db2.gz FJILPCMKIFZMKN-HXUWFJFHSA-N 2 1 425.602 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000012712649 527530328 /nfs/dbraw/zinc/53/03/28/527530328.db2.gz FJILPCMKIFZMKN-HXUWFJFHSA-N 2 1 425.602 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000012712649 527530332 /nfs/dbraw/zinc/53/03/32/527530332.db2.gz FJILPCMKIFZMKN-HXUWFJFHSA-N 2 1 425.602 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000012712649 527530337 /nfs/dbraw/zinc/53/03/37/527530337.db2.gz FJILPCMKIFZMKN-HXUWFJFHSA-N 2 1 425.602 3.946 50 0 IHAAMP COc1cccc(-c2cn(-c3ccc(CC[NH+]4CCC(O)CC4)cc3)c3nc[nH+]c(N)c23)c1 ZINC000001488120 555701980 /nfs/dbraw/zinc/70/19/80/555701980.db2.gz WUPXZZWTHIZICK-UHFFFAOYSA-N 2 1 443.551 3.678 50 0 in-vitro IHAAMP Cc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)s1 ZINC000011754232 556349148 /nfs/dbraw/zinc/34/91/48/556349148.db2.gz IIRKUXPHEZJGBJ-IBGZPJMESA-N 2 1 432.609 3.815 50 0 IHAAMP Cc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)s1 ZINC000011754231 556349289 /nfs/dbraw/zinc/34/92/89/556349289.db2.gz IIRKUXPHEZJGBJ-LJQANCHMSA-N 2 1 432.609 3.815 50 0 IHAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc2sccc2[nH]1 ZINC000011769702 556350132 /nfs/dbraw/zinc/35/01/32/556350132.db2.gz SPMCMHFKJFYLJJ-IBGZPJMESA-N 2 1 432.634 3.514 50 0 IHAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(OCCO)cc2)C[C@@]1(C)CO ZINC000011844336 556367173 /nfs/dbraw/zinc/36/71/73/556367173.db2.gz HCFGFXFVKAAHLI-QDSKXPNFSA-N 2 1 432.992 3.635 50 0 IHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(OCCO)cc2)C[C@@]1(C)CO ZINC000011844336 556367176 /nfs/dbraw/zinc/36/71/76/556367176.db2.gz HCFGFXFVKAAHLI-QDSKXPNFSA-N 2 1 432.992 3.635 50 0 IHAAMP COc1ccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000012029338 556388563 /nfs/dbraw/zinc/38/85/63/556388563.db2.gz DXWHLTFYBKVFRW-JOCHJYFZSA-N 2 1 441.591 3.679 50 0 IHAAMP CC(=O)N1CCC([N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012072400 556396207 /nfs/dbraw/zinc/39/62/07/556396207.db2.gz ODGHDUVSUOMUIG-XMMPIXPASA-N 2 1 431.596 3.530 50 0 IHAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4ccc(F)c(F)c4)CC3)cc2)CC1 ZINC000014977403 556469171 /nfs/dbraw/zinc/46/91/71/556469171.db2.gz SXIRCZHPJDTKHH-UHFFFAOYSA-N 2 1 442.554 3.501 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccc(F)c2F)C1 ZINC000014981517 556471308 /nfs/dbraw/zinc/47/13/08/556471308.db2.gz ZFSFPEGPKLNWKJ-LJQANCHMSA-N 2 1 445.554 3.889 50 0 IHAAMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 ZINC000072284270 556474966 /nfs/dbraw/zinc/47/49/66/556474966.db2.gz KZISERCOKVKXSR-WOJBJXKFSA-N 2 1 429.527 3.561 50 0 IHAAMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1CO ZINC000012592685 519779181 /nfs/dbraw/zinc/77/91/81/519779181.db2.gz WDJJYDMZQLHFKE-OAQYLSRUSA-N 2 1 445.648 3.511 50 0 IHAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1OC ZINC000012210159 520737153 /nfs/dbraw/zinc/73/71/53/520737153.db2.gz DBXIHDDWLNUXGR-QHCPKHFHSA-N 2 1 437.584 3.957 50 0 IHAAMP CC[N@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012477858 521331484 /nfs/dbraw/zinc/33/14/84/521331484.db2.gz CIZVKSLAEFDODK-XMMPIXPASA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012477858 521331491 /nfs/dbraw/zinc/33/14/91/521331491.db2.gz CIZVKSLAEFDODK-XMMPIXPASA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012477858 521331494 /nfs/dbraw/zinc/33/14/94/521331494.db2.gz CIZVKSLAEFDODK-XMMPIXPASA-N 2 1 426.601 3.843 50 0 IHAAMP CCN1CCC[C@H]1C[N@@H+](C/C=C/c1ccccc1OC)CC1CC[NH+](CCOC)CC1 ZINC000020542292 521654038 /nfs/dbraw/zinc/65/40/38/521654038.db2.gz FQSKJRYBCJOHAP-HJKZNEBBSA-N 2 1 429.649 3.853 50 0 IHAAMP CC[N@@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1OC)CC1CC[NH+](CCOC)CC1 ZINC000020542292 521654041 /nfs/dbraw/zinc/65/40/41/521654041.db2.gz FQSKJRYBCJOHAP-HJKZNEBBSA-N 2 1 429.649 3.853 50 0 IHAAMP CC[N@H+]1CCC[C@H]1CN(C/C=C/c1ccccc1OC)CC1CC[NH+](CCOC)CC1 ZINC000020542292 521654044 /nfs/dbraw/zinc/65/40/44/521654044.db2.gz FQSKJRYBCJOHAP-HJKZNEBBSA-N 2 1 429.649 3.853 50 0 IHAAMP COCc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000012448653 522971243 /nfs/dbraw/zinc/97/12/43/522971243.db2.gz WLRNHCRSLBXLHX-UHFFFAOYSA-N 2 1 426.605 3.629 50 0 IHAAMP CCn1nc(C)c(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)c1C ZINC000012574920 523636755 /nfs/dbraw/zinc/63/67/55/523636755.db2.gz BRBOUTAZYZRLGK-UHFFFAOYSA-N 2 1 428.621 3.889 50 0 IHAAMP COc1ccc(C[N@@H+](C)Cc2cccc3cnccc32)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012702226 524007496 /nfs/dbraw/zinc/00/74/96/524007496.db2.gz YTSUGSOWMFJROD-QHCPKHFHSA-N 2 1 435.568 3.711 50 0 IHAAMP CN(C)C(=O)c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000012190651 524023377 /nfs/dbraw/zinc/02/33/77/524023377.db2.gz WYRDOHUAYPREHI-XMMPIXPASA-N 2 1 448.655 3.902 50 0 IHAAMP OCC[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[N@H+]1CCc1ccccc1 ZINC000020920968 527573418 /nfs/dbraw/zinc/57/34/18/527573418.db2.gz VNIUHFTZAXUMOW-QHCPKHFHSA-N 2 1 427.658 3.845 50 0 IHAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000011839924 556364378 /nfs/dbraw/zinc/36/43/78/556364378.db2.gz HPRCYYDINARDCJ-QFIPXVFZSA-N 2 1 430.614 3.506 50 0 IHAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCCOc2cccnc2)cc1 ZINC000011844502 556367567 /nfs/dbraw/zinc/36/75/67/556367567.db2.gz PCCPBDUFEBVSKU-XMMPIXPASA-N 2 1 435.568 3.512 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccc(F)c2F)C1 ZINC000014981519 556471276 /nfs/dbraw/zinc/47/12/76/556471276.db2.gz ZFSFPEGPKLNWKJ-IBGZPJMESA-N 2 1 445.554 3.889 50 0 IHAAMP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc1C ZINC000055107769 556735033 /nfs/dbraw/zinc/73/50/33/556735033.db2.gz VFYPJBSMZCXCAL-VWLOTQADSA-N 2 1 427.633 3.583 50 0 IHAAMP CC[NH+](CCNC(=O)Nc1cc(NC(=O)NCC[N@H+](CC)C(C)C)ccc1C)C(C)C ZINC000058310407 556779790 /nfs/dbraw/zinc/77/97/90/556779790.db2.gz KOMTUOWIPUYITK-UHFFFAOYSA-N 2 1 434.629 3.699 50 0 IHAAMP CC[NH+](CCNC(=O)Nc1ccc(C)c(NC(=O)NCC[N@H+](CC)C(C)C)c1)C(C)C ZINC000058310407 556779793 /nfs/dbraw/zinc/77/97/93/556779793.db2.gz KOMTUOWIPUYITK-UHFFFAOYSA-N 2 1 434.629 3.699 50 0 IHAAMP CC[NH+](CCNC(=O)Nc1ccc(C)c(NC(=O)NCC[N@@H+](CC)C(C)C)c1)C(C)C ZINC000058310407 556779794 /nfs/dbraw/zinc/77/97/94/556779794.db2.gz KOMTUOWIPUYITK-UHFFFAOYSA-N 2 1 434.629 3.699 50 0 IHAAMP CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[NH+]3CCC([NH+]4CCCCC4)CC3)c21 ZINC000033250199 556891324 /nfs/dbraw/zinc/89/13/24/556891324.db2.gz UMWPKDZPXLHXMY-UHFFFAOYSA-N 2 1 443.592 3.769 50 0 IHAAMP CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)C[C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000023338588 568613362 /nfs/dbraw/zinc/61/33/62/568613362.db2.gz XMSBQVQYFNNYKN-DEOSSOPVSA-N 2 1 428.665 3.895 50 0 IHAAMP C[NH+]1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)C[C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000023338588 568613364 /nfs/dbraw/zinc/61/33/64/568613364.db2.gz XMSBQVQYFNNYKN-DEOSSOPVSA-N 3 1 428.665 3.895 50 0 IHAAMP C[NH+]1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)C[C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000023338588 568613365 /nfs/dbraw/zinc/61/33/65/568613365.db2.gz XMSBQVQYFNNYKN-DEOSSOPVSA-N 3 1 428.665 3.895 50 0 IHAAMP COC(=O)CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000299768318 568756442 /nfs/dbraw/zinc/75/64/42/568756442.db2.gz TVGUZFZCTGOQJB-AHKZPQOWSA-N 2 1 449.639 3.710 50 0 IHAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102961 569179902 /nfs/dbraw/zinc/17/99/02/569179902.db2.gz NILKEYZRQOIGIQ-IQMXBARESA-N 2 1 438.612 3.526 50 0 biogenic IHAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000012835812 522716918 /nfs/dbraw/zinc/71/69/18/522716918.db2.gz AOKPZTIJGJUCMB-RUZDIDTESA-N 2 1 426.601 3.807 50 0 IHAAMP C[NH+](CCC1CCOCC1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012835812 522716927 /nfs/dbraw/zinc/71/69/27/522716927.db2.gz AOKPZTIJGJUCMB-RUZDIDTESA-N 2 1 426.601 3.807 50 0 IHAAMP C[NH+](CCC1CCOCC1)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012835812 522716935 /nfs/dbraw/zinc/71/69/35/522716935.db2.gz AOKPZTIJGJUCMB-RUZDIDTESA-N 2 1 426.601 3.807 50 0 IHAAMP c1cc(C[NH2+]Cc2ccccc2)n(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000020576320 526428859 /nfs/dbraw/zinc/42/88/59/526428859.db2.gz JJHMQLFEDGBGBI-UHFFFAOYSA-N 2 1 444.608 3.941 50 0 IHAAMP COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011874262 556370185 /nfs/dbraw/zinc/37/01/85/556370185.db2.gz XLVQPRGYVUXYCG-XMMPIXPASA-N 2 1 438.543 3.996 50 0 IHAAMP Cc1noc(C)c1CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012055788 556394257 /nfs/dbraw/zinc/39/42/57/556394257.db2.gz RWRYEUNHQTWVBH-OAQYLSRUSA-N 2 1 444.595 3.666 50 0 IHAAMP Cc1cccn2c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055226764 556738309 /nfs/dbraw/zinc/73/83/09/556738309.db2.gz JNRZIOFLCGZTHY-HSZRJFAPSA-N 2 1 447.627 3.777 50 0 IHAAMP Cc1cccn2c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055226764 556738312 /nfs/dbraw/zinc/73/83/12/556738312.db2.gz JNRZIOFLCGZTHY-HSZRJFAPSA-N 2 1 447.627 3.777 50 0 IHAAMP CCOc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc(Br)c1OC ZINC000017318132 557057637 /nfs/dbraw/zinc/05/76/37/557057637.db2.gz SPKPAPYGRPEPLM-UHFFFAOYSA-N 2 1 449.389 3.978 50 0 IHAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907575 557124402 /nfs/dbraw/zinc/12/44/02/557124402.db2.gz NGEZKGNFMZHMJM-YKSBVNFPSA-N 2 1 447.627 3.508 50 0 IHAAMP COc1cccc(C[N@@H+]2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]2CCO)c1 ZINC000104625631 568837556 /nfs/dbraw/zinc/83/75/56/568837556.db2.gz CCJIRDXTKSRBMA-JOCHJYFZSA-N 2 1 443.657 3.811 50 0 IHAAMP COc1cccc(C[N@H+]2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]2CCO)c1 ZINC000104625631 568837557 /nfs/dbraw/zinc/83/75/57/568837557.db2.gz CCJIRDXTKSRBMA-JOCHJYFZSA-N 2 1 443.657 3.811 50 0 IHAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000009933461 132331934 /nfs/dbraw/zinc/33/19/34/132331934.db2.gz AXNWGTCMHWMUCQ-RUZDIDTESA-N 2 1 446.639 3.712 50 0 IHAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000009933461 132331935 /nfs/dbraw/zinc/33/19/35/132331935.db2.gz AXNWGTCMHWMUCQ-RUZDIDTESA-N 2 1 446.639 3.712 50 0 IHAAMP CCCn1ncc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)c1C ZINC000020449184 521671791 /nfs/dbraw/zinc/67/17/91/521671791.db2.gz JQCRGRZONSLYCZ-UHFFFAOYSA-N 2 1 428.621 3.971 50 0 IHAAMP COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012587056 522348970 /nfs/dbraw/zinc/34/89/70/522348970.db2.gz VZIDTJQUTJGPRY-XMMPIXPASA-N 2 1 448.648 3.950 50 0 IHAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000012859671 526238567 /nfs/dbraw/zinc/23/85/67/526238567.db2.gz NILKEYZRQOIGIQ-UTBBYCFHSA-N 2 1 438.612 3.526 50 0 biogenic IHAAMP CCCn1cc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000011821184 556362923 /nfs/dbraw/zinc/36/29/23/556362923.db2.gz NKMKFXTVFGCTSR-UHFFFAOYSA-N 2 1 438.664 3.805 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccc(C)s2)C1 ZINC000012073367 556396444 /nfs/dbraw/zinc/39/64/44/556396444.db2.gz XLRHTXNZFRTENP-HXUWFJFHSA-N 2 1 429.630 3.981 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccc(C)s2)C1 ZINC000012073370 556396506 /nfs/dbraw/zinc/39/65/06/556396506.db2.gz XLRHTXNZFRTENP-FQEVSTJZSA-N 2 1 429.630 3.981 50 0 IHAAMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 ZINC000072284273 556474979 /nfs/dbraw/zinc/47/49/79/556474979.db2.gz KZISERCOKVKXSR-PMACEKPBSA-N 2 1 429.527 3.561 50 0 IHAAMP CCN(C[C@@H]1CCCO1)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000036383449 556597770 /nfs/dbraw/zinc/59/77/70/556597770.db2.gz CANMKGVRDHBYSB-VWLOTQADSA-N 2 1 427.633 3.699 50 0 IHAAMP CC(C)N(Cc1nccn1C)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000011663927 557258936 /nfs/dbraw/zinc/25/89/36/557258936.db2.gz DKOQHFRKOQNOGJ-VWLOTQADSA-N 2 1 448.611 3.629 50 0 IHAAMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000221892651 557327149 /nfs/dbraw/zinc/32/71/49/557327149.db2.gz CCMPERODMHCLKH-PGRDOPGGSA-N 2 1 448.007 3.943 50 0 IHAAMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000221892651 557327151 /nfs/dbraw/zinc/32/71/51/557327151.db2.gz CCMPERODMHCLKH-PGRDOPGGSA-N 2 1 448.007 3.943 50 0 IHAAMP C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(OC4CC[NH+](CCc5ccccc5)CC4)cc3)C2)C1 ZINC000014981587 557633483 /nfs/dbraw/zinc/63/34/83/557633483.db2.gz VOGJTYCSQSNILP-NDEPHWFRSA-N 2 1 447.623 3.940 50 0 IHAAMP Cn1c(C[N@@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000095480850 569374038 /nfs/dbraw/zinc/37/40/38/569374038.db2.gz TZPMLPPBCSENDJ-QHCPKHFHSA-N 2 1 429.564 3.639 50 0 IHAAMP Cn1c(C[N@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000095480850 569374039 /nfs/dbraw/zinc/37/40/39/569374039.db2.gz TZPMLPPBCSENDJ-QHCPKHFHSA-N 2 1 429.564 3.639 50 0 IHAAMP Cn1c(C[NH+]2CCc3ccccc3C2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000095480850 569374040 /nfs/dbraw/zinc/37/40/40/569374040.db2.gz TZPMLPPBCSENDJ-QHCPKHFHSA-N 2 1 429.564 3.639 50 0 IHAAMP Cn1c(C[NH+]2CCc3ccccc3C2)cc(=O)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000095480850 569374041 /nfs/dbraw/zinc/37/40/41/569374041.db2.gz TZPMLPPBCSENDJ-QHCPKHFHSA-N 2 1 429.564 3.639 50 0 IHAAMP O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008723672 569471893 /nfs/dbraw/zinc/47/18/93/569471893.db2.gz APQCHLSVPWRYHN-UHFFFAOYSA-N 2 1 440.632 3.642 50 0 IHAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000009933460 132331891 /nfs/dbraw/zinc/33/18/91/132331891.db2.gz AXNWGTCMHWMUCQ-VWLOTQADSA-N 2 1 446.639 3.712 50 0 IHAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000009933460 132331893 /nfs/dbraw/zinc/33/18/93/132331893.db2.gz AXNWGTCMHWMUCQ-VWLOTQADSA-N 2 1 446.639 3.712 50 0 IHAAMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012448120 519826722 /nfs/dbraw/zinc/82/67/22/519826722.db2.gz KNVHWMFYEPJHIU-RUZDIDTESA-N 2 1 436.600 3.537 50 0 IHAAMP Cc1ccc(-c2cccc(C[N@@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@@H](CCO)C3)c2)o1 ZINC000020777848 525756024 /nfs/dbraw/zinc/75/60/24/525756024.db2.gz HBFFOUINZDPCHX-VWLOTQADSA-N 2 1 425.617 3.996 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)o1 ZINC000012712655 527529778 /nfs/dbraw/zinc/52/97/78/527529778.db2.gz FJILPCMKIFZMKN-FQEVSTJZSA-N 2 1 425.602 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)o1 ZINC000012712655 527529783 /nfs/dbraw/zinc/52/97/83/527529783.db2.gz FJILPCMKIFZMKN-FQEVSTJZSA-N 2 1 425.602 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000012712655 527529789 /nfs/dbraw/zinc/52/97/89/527529789.db2.gz FJILPCMKIFZMKN-FQEVSTJZSA-N 2 1 425.602 3.946 50 0 IHAAMP Cn1cnnc1Sc1ccc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000012712655 527529795 /nfs/dbraw/zinc/52/97/95/527529795.db2.gz FJILPCMKIFZMKN-FQEVSTJZSA-N 2 1 425.602 3.946 50 0 IHAAMP COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1C ZINC000011998029 556384984 /nfs/dbraw/zinc/38/49/84/556384984.db2.gz UBQISDYGSWTETD-VWLOTQADSA-N 2 1 447.623 3.950 50 0 IHAAMP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000012090273 556402437 /nfs/dbraw/zinc/40/24/37/556402437.db2.gz FLPSLTUVUGCSAO-FQEVSTJZSA-N 2 1 429.605 3.695 50 0 IHAAMP Cc1ccc(-c2ccccc2C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)o1 ZINC000019221743 556715745 /nfs/dbraw/zinc/71/57/45/556715745.db2.gz XIXPQVDDKOCDKJ-DEOSSOPVSA-N 2 1 425.617 3.996 50 0 IHAAMP COc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000055225863 556738162 /nfs/dbraw/zinc/73/81/62/556738162.db2.gz LMDGHDGGXNPHOK-FQEVSTJZSA-N 2 1 433.618 3.754 50 0 IHAAMP COc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055225863 556738165 /nfs/dbraw/zinc/73/81/65/556738165.db2.gz LMDGHDGGXNPHOK-FQEVSTJZSA-N 2 1 433.618 3.754 50 0 IHAAMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065610868 569140166 /nfs/dbraw/zinc/14/01/66/569140166.db2.gz RBAGLRHIGYSJDL-OYRHEFFESA-N 2 1 446.636 3.760 50 0 IHAAMP CC(C)n1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000020776569 519948726 /nfs/dbraw/zinc/94/87/26/519948726.db2.gz RMYJHOZUZPXLPL-DEOSSOPVSA-N 2 1 426.649 3.964 50 0 IHAAMP CCCC[N@@H+](CC)CCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000012474039 520476171 /nfs/dbraw/zinc/47/61/71/520476171.db2.gz HDLNBEFFMKMYDP-UHFFFAOYSA-N 2 1 442.677 3.703 50 0 IHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cc1ccc(F)c(F)c1 ZINC000012725812 521748028 /nfs/dbraw/zinc/74/80/28/521748028.db2.gz WVSHETRISRVUJK-HXUWFJFHSA-N 2 1 447.545 3.949 50 0 IHAAMP COc1cc(C[N@@H+](C)CCc2ccccn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012449233 522352141 /nfs/dbraw/zinc/35/21/41/522352141.db2.gz TZZTYYIRGSFNRE-XMMPIXPASA-N 2 1 441.616 3.771 50 0 IHAAMP CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000012199725 522657851 /nfs/dbraw/zinc/65/78/51/522657851.db2.gz UUMWIRAFOYIUMO-FQEVSTJZSA-N 2 1 425.539 3.760 50 0 IHAAMP C[N@H+](Cc1cn(CC(N)=O)c2ccccc12)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012435130 523490392 /nfs/dbraw/zinc/49/03/92/523490392.db2.gz PBHWDKMFZGYYHA-UHFFFAOYSA-N 2 1 436.575 3.652 50 0 IHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H]3CCCCO3)CC2)CC1 ZINC000012584671 525138378 /nfs/dbraw/zinc/13/83/78/525138378.db2.gz AWFRESAIJIJBFT-RUZDIDTESA-N 2 1 427.633 3.699 50 0 IHAAMP COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000011773806 556350504 /nfs/dbraw/zinc/35/05/04/556350504.db2.gz SRUOPUKLBAPADQ-JOCHJYFZSA-N 2 1 428.573 3.561 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccc(F)c(F)c2)C1 ZINC000011816792 556359707 /nfs/dbraw/zinc/35/97/07/556359707.db2.gz ZXLQBEQASZOQFQ-IBGZPJMESA-N 2 1 445.554 3.889 50 0 IHAAMP CCN(C[C@H]1CCCO1)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000036383450 556597810 /nfs/dbraw/zinc/59/78/10/556597810.db2.gz CANMKGVRDHBYSB-RUZDIDTESA-N 2 1 427.633 3.699 50 0 IHAAMP COc1ccc(-c2noc(C[N@H+](C)CC3CC[NH+](CC(C)C)CC3)n2)c(OC)c1OC ZINC000011843579 556660556 /nfs/dbraw/zinc/66/05/56/556660556.db2.gz UZYBGYSDFDNDEQ-UHFFFAOYSA-N 2 1 432.565 3.562 50 0 IHAAMP COc1ccc(-c2noc(C[N@@H+](C)CC3CC[NH+](CC(C)C)CC3)n2)c(OC)c1OC ZINC000011843579 556660557 /nfs/dbraw/zinc/66/05/57/556660557.db2.gz UZYBGYSDFDNDEQ-UHFFFAOYSA-N 2 1 432.565 3.562 50 0 IHAAMP C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1 ZINC000058009009 556752850 /nfs/dbraw/zinc/75/28/50/556752850.db2.gz FNTGGOCALHBTTD-UHFFFAOYSA-N 2 1 441.595 3.606 50 0 IHAAMP CCn1nc(C)c(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1C ZINC000023359370 557087423 /nfs/dbraw/zinc/08/74/23/557087423.db2.gz MQENILSMMXFNKC-JOCHJYFZSA-N 2 1 429.628 3.935 50 0 IHAAMP COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012707483 522470495 /nfs/dbraw/zinc/47/04/95/522470495.db2.gz YDGYKZZLLFRJIK-OAQYLSRUSA-N 2 1 433.618 3.754 50 0 IHAAMP COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012707483 522470505 /nfs/dbraw/zinc/47/05/05/522470505.db2.gz YDGYKZZLLFRJIK-OAQYLSRUSA-N 2 1 433.618 3.754 50 0 IHAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000012835810 522716840 /nfs/dbraw/zinc/71/68/40/522716840.db2.gz AOKPZTIJGJUCMB-VWLOTQADSA-N 2 1 426.601 3.807 50 0 IHAAMP C[NH+](CCC1CCOCC1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012835810 522716851 /nfs/dbraw/zinc/71/68/51/522716851.db2.gz AOKPZTIJGJUCMB-VWLOTQADSA-N 2 1 426.601 3.807 50 0 IHAAMP C[NH+](CCC1CCOCC1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012835810 522716864 /nfs/dbraw/zinc/71/68/64/522716864.db2.gz AOKPZTIJGJUCMB-VWLOTQADSA-N 2 1 426.601 3.807 50 0 IHAAMP COc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC000014965899 523612999 /nfs/dbraw/zinc/61/29/99/523612999.db2.gz QQPCZRRMSGKLMF-OAQYLSRUSA-N 2 1 439.600 3.620 50 0 IHAAMP COCC[N@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012716546 523756953 /nfs/dbraw/zinc/75/69/53/523756953.db2.gz VVNHNMCAWOAHBE-UHFFFAOYSA-N 2 1 449.599 3.637 50 0 IHAAMP COc1ccc(CC[N@H+](Cc2cc3c(c(OC)c2)OCO3)CC2CC[NH+](C)CC2)cc1 ZINC000012587793 523941813 /nfs/dbraw/zinc/94/18/13/523941813.db2.gz OOVKTKDOBGZQDA-UHFFFAOYSA-N 2 1 426.557 3.819 50 0 IHAAMP OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[N@H+]1CCc1ccccc1 ZINC000020920959 527566757 /nfs/dbraw/zinc/56/67/57/527566757.db2.gz VNIUHFTZAXUMOW-HSZRJFAPSA-N 2 1 427.658 3.845 50 0 IHAAMP COc1ccc(C[N@H+](C)Cc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011662050 556343620 /nfs/dbraw/zinc/34/36/20/556343620.db2.gz PRNIKZOMNWNTLM-HSZRJFAPSA-N 2 1 427.589 3.728 50 0 IHAAMP COc1ccc(C[N@@H+](C)Cc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011662050 556343622 /nfs/dbraw/zinc/34/36/22/556343622.db2.gz PRNIKZOMNWNTLM-HSZRJFAPSA-N 2 1 427.589 3.728 50 0 IHAAMP O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000014986375 556472573 /nfs/dbraw/zinc/47/25/73/556472573.db2.gz VGGDMNISFGKUKC-HFSMHLIXSA-N 2 1 448.007 3.804 50 0 IHAAMP CCOC(=O)N1CCC([N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000011879860 556668420 /nfs/dbraw/zinc/66/84/20/556668420.db2.gz KTTMLOFQZHEWCI-UHFFFAOYSA-N 2 1 435.584 3.607 50 0 IHAAMP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)/C=C/c3cccs3)CC2)CC1 ZINC000023340282 557085971 /nfs/dbraw/zinc/08/59/71/557085971.db2.gz SZYSPHXJQSDWKP-SNAWJCMRSA-N 2 1 438.641 3.991 50 0 IHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012586558 521657659 /nfs/dbraw/zinc/65/76/59/521657659.db2.gz SBFHMYGIYNKXIQ-DEOSSOPVSA-N 2 1 435.612 3.987 50 0 IHAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]CCCOc2cccnc2)c1)C1CCCCC1 ZINC000012435858 523097963 /nfs/dbraw/zinc/09/79/63/523097963.db2.gz PMQIVVUKUHJRLP-QHCPKHFHSA-N 2 1 427.589 3.645 50 0 IHAAMP Cc1nccn1CCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012446318 527390200 /nfs/dbraw/zinc/39/02/00/527390200.db2.gz BCKHOOZSWUMLOM-HSZRJFAPSA-N 2 1 429.653 3.551 50 0 IHAAMP Cc1[nH+]ccn1CCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012446318 527390208 /nfs/dbraw/zinc/39/02/08/527390208.db2.gz BCKHOOZSWUMLOM-HSZRJFAPSA-N 3 1 429.653 3.551 50 0 IHAAMP Cc1[nH+]ccn1CCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012446318 527390215 /nfs/dbraw/zinc/39/02/15/527390215.db2.gz BCKHOOZSWUMLOM-HSZRJFAPSA-N 3 1 429.653 3.551 50 0 IHAAMP C[NH+](C[C@@H](O)COc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1)C1CCCCC1 ZINC000004328604 556337858 /nfs/dbraw/zinc/33/78/58/556337858.db2.gz YZKSALQYGMMYST-DNQXCXABSA-N 2 1 448.648 3.695 50 0 IHAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@H](C)Cc4ccsc4)CC3)cc2)CC1 ZINC000014879986 556453171 /nfs/dbraw/zinc/45/31/71/556453171.db2.gz GRXMQQKEXLPUPR-HXUWFJFHSA-N 2 1 440.657 3.715 50 0 IHAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907578 557124462 /nfs/dbraw/zinc/12/44/62/557124462.db2.gz NGEZKGNFMZHMJM-RDPSFJRHSA-N 2 1 447.627 3.508 50 0 IHAAMP CC(C)n1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000012472895 519935496 /nfs/dbraw/zinc/93/54/96/519935496.db2.gz GORUTORTTMGREQ-HXUWFJFHSA-N 2 1 429.584 3.519 50 0 IHAAMP CCCC[N@@H+](C)CCNC(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1 ZINC000012474034 520408126 /nfs/dbraw/zinc/40/81/26/520408126.db2.gz ODOVHNYXEOQRDQ-UHFFFAOYSA-N 2 1 442.677 3.703 50 0 IHAAMP CC[N@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012477853 521329683 /nfs/dbraw/zinc/32/96/83/521329683.db2.gz CIZVKSLAEFDODK-DEOSSOPVSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012477853 521329688 /nfs/dbraw/zinc/32/96/88/521329688.db2.gz CIZVKSLAEFDODK-DEOSSOPVSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012477853 521329693 /nfs/dbraw/zinc/32/96/93/521329693.db2.gz CIZVKSLAEFDODK-DEOSSOPVSA-N 2 1 426.601 3.843 50 0 IHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012586551 521637532 /nfs/dbraw/zinc/63/75/32/521637532.db2.gz SBFHMYGIYNKXIQ-XMMPIXPASA-N 2 1 435.612 3.987 50 0 IHAAMP C[N@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012297707 523184893 /nfs/dbraw/zinc/18/48/93/523184893.db2.gz LRRQOVAYFKDRNX-QFIPXVFZSA-N 2 1 443.588 3.728 50 0 IHAAMP C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012297707 523184899 /nfs/dbraw/zinc/18/48/99/523184899.db2.gz LRRQOVAYFKDRNX-QFIPXVFZSA-N 2 1 443.588 3.728 50 0 IHAAMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000012588089 523840776 /nfs/dbraw/zinc/84/07/76/523840776.db2.gz VMUDLOLXOOXCAA-HSZRJFAPSA-N 2 1 435.612 3.844 50 0 IHAAMP COc1cccc(C[N@@H+]2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@@H]2CCO)c1 ZINC000022852882 525946660 /nfs/dbraw/zinc/94/66/60/525946660.db2.gz CCJIRDXTKSRBMA-QFIPXVFZSA-N 2 1 443.657 3.811 50 0 IHAAMP COc1cccc(C[N@H+]2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@@H]2CCO)c1 ZINC000022852882 525946670 /nfs/dbraw/zinc/94/66/70/525946670.db2.gz CCJIRDXTKSRBMA-QFIPXVFZSA-N 2 1 443.657 3.811 50 0 IHAAMP Cc1[nH+]ccn1CCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012442634 527431324 /nfs/dbraw/zinc/43/13/24/527431324.db2.gz PBCUUAODYOFYBM-UHFFFAOYSA-N 2 1 432.568 3.707 50 0 IHAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2nc3ccccc3o2)ccc1OC ZINC000012594947 520723391 /nfs/dbraw/zinc/72/33/91/520723391.db2.gz FQYFHTXPKUUCLB-LJQANCHMSA-N 2 1 427.545 3.550 50 0 IHAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2nc3ccccc3o2)ccc1OC ZINC000012594947 520723399 /nfs/dbraw/zinc/72/33/99/520723399.db2.gz FQYFHTXPKUUCLB-LJQANCHMSA-N 2 1 427.545 3.550 50 0 IHAAMP COc1ccc(C[NH2+]CCCc2cccnc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012434846 524070525 /nfs/dbraw/zinc/07/05/25/524070525.db2.gz PERIIMWQPZOLHK-VWLOTQADSA-N 2 1 449.595 3.684 50 0 IHAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCC(F)(F)F)C1 ZINC000012430395 524448826 /nfs/dbraw/zinc/44/88/26/524448826.db2.gz PUIXPOKJARENTK-GOSISDBHSA-N 2 1 429.527 3.640 50 0 IHAAMP COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000011773813 556350524 /nfs/dbraw/zinc/35/05/24/556350524.db2.gz SRUOPUKLBAPADQ-QFIPXVFZSA-N 2 1 428.573 3.561 50 0 IHAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cccc2nccnc21 ZINC000011772195 556350609 /nfs/dbraw/zinc/35/06/09/556350609.db2.gz ZKLBUPZMENRKSA-FQEVSTJZSA-N 2 1 449.574 3.685 50 0 IHAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cccc2nccnc21 ZINC000011772190 556350693 /nfs/dbraw/zinc/35/06/93/556350693.db2.gz ZKLBUPZMENRKSA-HXUWFJFHSA-N 2 1 449.574 3.685 50 0 IHAAMP Cc1ccccc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011817347 556359486 /nfs/dbraw/zinc/35/94/86/556359486.db2.gz YJUVHWDWVOGHQW-JOCHJYFZSA-N 2 1 425.592 3.979 50 0 IHAAMP CC[N@H+](Cc1cccc(OCCO)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055053977 556732989 /nfs/dbraw/zinc/73/29/89/556732989.db2.gz NIJYPIQMJSOHTR-XMMPIXPASA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1cccc(OCCO)c1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055053977 556732991 /nfs/dbraw/zinc/73/29/91/556732991.db2.gz NIJYPIQMJSOHTR-XMMPIXPASA-N 2 1 426.601 3.843 50 0 IHAAMP CC[NH+](Cc1cccc(OCCO)c1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055053977 556732995 /nfs/dbraw/zinc/73/29/95/556732995.db2.gz NIJYPIQMJSOHTR-XMMPIXPASA-N 2 1 426.601 3.843 50 0 IHAAMP COc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000055225860 556738300 /nfs/dbraw/zinc/73/83/00/556738300.db2.gz LMDGHDGGXNPHOK-HXUWFJFHSA-N 2 1 433.618 3.754 50 0 IHAAMP COc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055225860 556738301 /nfs/dbraw/zinc/73/83/01/556738301.db2.gz LMDGHDGGXNPHOK-HXUWFJFHSA-N 2 1 433.618 3.754 50 0 IHAAMP COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC1)cn2C ZINC000065060040 569095836 /nfs/dbraw/zinc/09/58/36/569095836.db2.gz DKEJMTLOFBELIF-UHFFFAOYSA-N 2 1 448.611 3.647 50 0 IHAAMP Cc1ccc(C[N@@H+]2CCc3c(cc(C(=O)N4CCC([NH+]5CCCCC5)CC4)n3C)C2)cc1 ZINC000065210900 569116273 /nfs/dbraw/zinc/11/62/73/569116273.db2.gz SRQJXZCGBBBSPX-UHFFFAOYSA-N 2 1 434.628 3.982 50 0 IHAAMP Cc1ccc(C[N@H+]2CCc3c(cc(C(=O)N4CCC([NH+]5CCCCC5)CC4)n3C)C2)cc1 ZINC000065210900 569116275 /nfs/dbraw/zinc/11/62/75/569116275.db2.gz SRQJXZCGBBBSPX-UHFFFAOYSA-N 2 1 434.628 3.982 50 0 IHAAMP C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008917848 569486077 /nfs/dbraw/zinc/48/60/77/569486077.db2.gz NILKEYZRQOIGIQ-DBFQGJLESA-N 2 1 438.612 3.526 50 0 biogenic IHAAMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000009513894 569543137 /nfs/dbraw/zinc/54/31/37/569543137.db2.gz PEHXUSSWBGENLZ-UHFFFAOYSA-N 2 1 438.616 3.955 50 0 IHAAMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000035561565 569587734 /nfs/dbraw/zinc/58/77/34/569587734.db2.gz FWWXBBNYCCDFIQ-UHFFFAOYSA-N 2 1 430.596 3.676 50 0 IHAAMP CCC[NH+]1CCC([NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)CC1 ZINC000020540293 519844343 /nfs/dbraw/zinc/84/43/43/519844343.db2.gz KKRCKPSYOJZYPS-UHFFFAOYSA-N 2 1 429.605 3.649 50 0 IHAAMP CCOC(=O)c1n[nH]cc1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000020905900 521595117 /nfs/dbraw/zinc/59/51/17/521595117.db2.gz UUXGYHVIAJVYQC-OAQYLSRUSA-N 2 1 445.652 3.529 50 0 IHAAMP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCC(C(C)=O)(c4ccccc4)CC3)cc2)CC1 ZINC000034684953 555820463 /nfs/dbraw/zinc/82/04/63/555820463.db2.gz TYBDIFKFHFTRAE-UHFFFAOYSA-N 2 1 433.596 3.587 50 0 IHAAMP CCOc1ccc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1CO ZINC000012054333 556393523 /nfs/dbraw/zinc/39/35/23/556393523.db2.gz RXCBNSGNILZCOB-UHFFFAOYSA-N 2 1 426.601 3.973 50 0 IHAAMP c1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000067723936 556846348 /nfs/dbraw/zinc/84/63/48/556846348.db2.gz LGNAAVIOERPGGX-UHFFFAOYSA-N 2 1 439.519 3.985 50 0 IHAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2OCCO)C[C@@]1(C)CO ZINC000020204409 556997932 /nfs/dbraw/zinc/99/79/32/556997932.db2.gz JHYAODPNTQGTLI-QDSKXPNFSA-N 2 1 432.992 3.635 50 0 IHAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2OCCO)C[C@@]1(C)CO ZINC000020204409 556997936 /nfs/dbraw/zinc/99/79/36/556997936.db2.gz JHYAODPNTQGTLI-QDSKXPNFSA-N 2 1 432.992 3.635 50 0 IHAAMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000245326189 569503623 /nfs/dbraw/zinc/50/36/23/569503623.db2.gz FFZFHXXZJAAICC-QPPBQGQZSA-N 2 1 448.696 3.506 50 0 IHAAMP