smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)CO2 ZINC000008610510 132288209 /nfs/dbraw/zinc/28/82/09/132288209.db2.gz STTLUJIKMSTCQD-LJQANCHMSA-N 1 0 427.520 2.714 50 0 IFAARO O=C(CCc1nnc2ccc(N3CCCCC3)nn21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009431095 132317183 /nfs/dbraw/zinc/31/71/83/132317183.db2.gz LTCXZEIYGNJVQT-UHFFFAOYSA-N 1 0 447.587 2.828 50 0 IFAARO Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000009433910 132317308 /nfs/dbraw/zinc/31/73/08/132317308.db2.gz MAPRJOYLQLCWPI-QGZVFWFLSA-N 1 0 437.573 2.842 50 0 IFAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020783478 519438441 /nfs/dbraw/zinc/43/84/41/519438441.db2.gz RDOKXPBQCDIMRU-NRFANRHFSA-N 1 0 433.622 2.781 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014745390 519534310 /nfs/dbraw/zinc/53/43/10/519534310.db2.gz OEVLKBBMZZJCHU-FQEVSTJZSA-N 1 0 428.552 2.840 50 0 IFAARO CC(C)NC(=O)CN1CC[NH+]([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)CC1 ZINC000020598765 519707049 /nfs/dbraw/zinc/70/70/49/519707049.db2.gz HPYMTGPAPPZDHE-XMMPIXPASA-N 1 0 436.600 2.863 50 0 IFAARO CC(C)OCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888031 519761896 /nfs/dbraw/zinc/76/18/96/519761896.db2.gz XVKRLUVUVXMKHQ-UHFFFAOYSA-N 1 0 437.606 2.861 50 0 IFAARO CC(C)Oc1ccc(C[N@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020598783 519779130 /nfs/dbraw/zinc/77/91/30/519779130.db2.gz PTGWGEUDQUUFJB-UHFFFAOYSA-N 1 0 449.555 2.819 50 0 IFAARO CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000020905683 520464670 /nfs/dbraw/zinc/46/46/70/520464670.db2.gz OPQXNGMWWFPRII-UHFFFAOYSA-N 1 0 435.996 2.692 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035640989 520514497 /nfs/dbraw/zinc/51/44/97/520514497.db2.gz QIYWXRGEXMRSRV-HXUWFJFHSA-N 1 0 434.968 2.881 50 0 IFAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000020725290 520521016 /nfs/dbraw/zinc/52/10/16/520521016.db2.gz SCSGPKJIYODYBP-HSZRJFAPSA-N 1 0 449.661 2.899 50 0 IFAARO CCOc1c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)cc1OC ZINC000020476719 520592430 /nfs/dbraw/zinc/59/24/30/520592430.db2.gz LQSGFOAUSRRPOU-UHFFFAOYSA-N 1 0 443.363 2.836 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2C)CC1 ZINC000016300172 521698697 /nfs/dbraw/zinc/69/86/97/521698697.db2.gz VOOVGYVJHZHJLM-UHFFFAOYSA-N 1 0 427.574 2.901 50 0 IFAARO CN(CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)S(=O)(=O)c1cccs1 ZINC000022088953 522438304 /nfs/dbraw/zinc/43/83/04/522438304.db2.gz KGTQXKDEYXHBLT-UHFFFAOYSA-N 1 0 443.594 2.866 50 0 IFAARO CN(CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012779909 522480176 /nfs/dbraw/zinc/48/01/76/522480176.db2.gz LCSXAHSXMRYPKH-QGZVFWFLSA-N 1 0 442.006 2.975 50 0 IFAARO C[N@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)C1CCCCC1 ZINC000021026965 522764091 /nfs/dbraw/zinc/76/40/91/522764091.db2.gz HHACJDXAVBINFQ-QGZVFWFLSA-N 1 0 448.637 2.652 50 0 IFAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000020786096 522771047 /nfs/dbraw/zinc/77/10/47/522771047.db2.gz XMCXPJUZBLEMJC-FQEVSTJZSA-N 1 0 443.592 2.812 50 0 IFAARO COc1cc(OC)c(N2C[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)CC2=O)cc1Cl ZINC000032989064 522796156 /nfs/dbraw/zinc/79/61/56/522796156.db2.gz RJPLKIHCRSVPEH-HNNXBMFYSA-N 1 0 425.957 2.945 50 0 IFAARO COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000035422079 522843803 /nfs/dbraw/zinc/84/38/03/522843803.db2.gz YGTGHRPCPIFMSM-UHFFFAOYSA-N 1 0 445.947 2.822 50 0 IFAARO CN(Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)[C@@H]1CCOC1 ZINC000012434152 523150039 /nfs/dbraw/zinc/15/00/39/523150039.db2.gz BGNVXCYPKXXZCG-HXUWFJFHSA-N 1 0 425.577 2.646 50 0 IFAARO COc1ccc(-c2noc(N3CCC(C(=O)NCC[NH+]4CCC(C)CC4)CC3)n2)cc1 ZINC000035447309 523297895 /nfs/dbraw/zinc/29/78/95/523297895.db2.gz AHIGDPPGOKYIIQ-UHFFFAOYSA-N 1 0 427.549 2.810 50 0 IFAARO COc1ccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4ccc(F)cc4)c3c2N)cc1 ZINC000035930027 523349711 /nfs/dbraw/zinc/34/97/11/523349711.db2.gz WTGFZFHQMRYOEB-UHFFFAOYSA-N 1 0 433.491 2.964 50 0 IFAARO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035911151 523353822 /nfs/dbraw/zinc/35/38/22/523353822.db2.gz WKZUHOYJWDCEEH-ISKFKSNPSA-N 1 0 441.547 2.850 50 0 IFAARO CCn1cc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c(C)n1 ZINC000011946510 523367745 /nfs/dbraw/zinc/36/77/45/523367745.db2.gz AAZGIUCIBABDDV-UHFFFAOYSA-N 1 0 430.549 2.640 50 0 IFAARO CCn1cc(C[NH+]2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c(C)n1 ZINC000012164193 523369110 /nfs/dbraw/zinc/36/91/10/523369110.db2.gz MYYJZHYLECPQPN-VWLOTQADSA-N 1 0 435.572 2.901 50 0 IFAARO COCCN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)C(C)C ZINC000012055802 523537899 /nfs/dbraw/zinc/53/78/99/523537899.db2.gz JGQPTHSRRHRYCU-XMMPIXPASA-N 1 0 437.584 2.892 50 0 IFAARO CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000014541817 523611166 /nfs/dbraw/zinc/61/11/66/523611166.db2.gz IHJKRQPHHSGNNT-GOSISDBHSA-N 1 0 449.521 2.957 50 0 IFAARO CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000012582637 523842235 /nfs/dbraw/zinc/84/22/35/523842235.db2.gz HLZWZSCPUHAHRU-XMMPIXPASA-N 1 0 435.568 2.646 50 0 IFAARO CCc1ccc(N2CC[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000035429158 523964618 /nfs/dbraw/zinc/96/46/18/523964618.db2.gz WSSDOHTYDOIQMR-XMMPIXPASA-N 1 0 434.584 2.930 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1C ZINC000020599665 524039532 /nfs/dbraw/zinc/03/95/32/524039532.db2.gz YVSFJZWPHOHEOD-IBGZPJMESA-N 1 0 429.565 2.885 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN1c2cc(-c3cccn3C)nn2CCC1=O ZINC000021644820 524101843 /nfs/dbraw/zinc/10/18/43/524101843.db2.gz JRMKMFYEGBYHJY-LJQANCHMSA-N 1 0 440.592 2.786 50 0 IFAARO Cc1cccc(C)c1OCCOC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020500917 524316802 /nfs/dbraw/zinc/31/68/02/524316802.db2.gz GFAPZVUZBPTEKK-QFIPXVFZSA-N 1 0 442.556 2.606 50 0 IFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1 ZINC000012457490 524319810 /nfs/dbraw/zinc/31/98/10/524319810.db2.gz ZFNLVUWQZQERTH-YOCVDRLZSA-N 1 0 432.528 2.744 50 0 IFAARO C[C@H](C[N@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012097947 524361791 /nfs/dbraw/zinc/36/17/91/524361791.db2.gz FREKWMRLBGUJCC-LJQANCHMSA-N 1 0 435.547 2.980 50 0 IFAARO COc1ccccc1CNC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035485521 524460321 /nfs/dbraw/zinc/46/03/21/524460321.db2.gz MDUCHHWJBXGZKD-XWEVFREBSA-N 1 0 435.568 2.949 50 0 IFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)cc1 ZINC000020583712 524468298 /nfs/dbraw/zinc/46/82/98/524468298.db2.gz XDDNXIJGBYLZLP-KRWDZBQOSA-N 1 0 444.582 2.607 50 0 IFAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000057383518 524619515 /nfs/dbraw/zinc/61/95/15/524619515.db2.gz QOXTVKDYZNMYNH-QGZVFWFLSA-N 1 0 431.558 2.987 50 0 IFAARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796417 524739955 /nfs/dbraw/zinc/73/99/55/524739955.db2.gz CYICFKJTZOBDPF-FQEVSTJZSA-N 1 0 432.927 2.831 50 0 IFAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1Cl ZINC000022767206 525064383 /nfs/dbraw/zinc/06/43/83/525064383.db2.gz NDHUENAZWBFPQD-QGZVFWFLSA-N 1 0 429.995 2.677 50 0 IFAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCCSc3nnnn3C)cc2)cc1 ZINC000040744717 525068217 /nfs/dbraw/zinc/06/82/17/525068217.db2.gz GOWHJLYWCAELNN-UHFFFAOYSA-N 1 0 426.546 2.808 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)c1cccc(OC(F)F)c1 ZINC000012557882 525078194 /nfs/dbraw/zinc/07/81/94/525078194.db2.gz RTFXIGGNICIXAT-UHFFFAOYSA-N 1 0 432.471 2.717 50 0 IFAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH+]3CCN(CCO)CC3)CC2)cc1)c1ccccc1 ZINC000020599622 525328981 /nfs/dbraw/zinc/32/89/81/525328981.db2.gz WSYXJRSOBBRYGS-OAQYLSRUSA-N 1 0 436.600 2.756 50 0 IFAARO COc1ccc([C@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000012768542 525357224 /nfs/dbraw/zinc/35/72/24/525357224.db2.gz BJYKZRMSYPHYEA-FQEVSTJZSA-N 1 0 432.546 2.691 50 0 IFAARO Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](C(C)C)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000020995438 525449100 /nfs/dbraw/zinc/44/91/00/525449100.db2.gz HAFQGBNMPHSBNS-SANMLTNESA-N 1 0 448.567 2.530 50 0 IFAARO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020517964 525596608 /nfs/dbraw/zinc/59/66/08/525596608.db2.gz MMUQSQNTUYTBPE-PZTGFMGMSA-N 1 0 433.961 2.756 50 0 IFAARO Cc1cc(=O)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)nn1-c1ccccc1Cl ZINC000012613745 526132431 /nfs/dbraw/zinc/13/24/31/526132431.db2.gz JCHDNGUARKQZFM-UHFFFAOYSA-N 1 0 438.919 2.593 50 0 IFAARO COc1cccc(OC[C@H](O)CN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)c1 ZINC000015007729 526235735 /nfs/dbraw/zinc/23/57/35/526235735.db2.gz UOJSKHSLEPVZDC-WOJBJXKFSA-N 1 0 446.519 2.624 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944372 526247396 /nfs/dbraw/zinc/24/73/96/526247396.db2.gz FJFWLRHIKZJWIE-FQEVSTJZSA-N 1 0 448.567 2.592 50 0 IFAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCc2n[nH]cc2C1 ZINC000012439451 526303693 /nfs/dbraw/zinc/30/36/93/526303693.db2.gz WKOSPPMUXYQEES-UHFFFAOYSA-N 1 0 434.544 2.817 50 0 IFAARO O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000035422104 526476289 /nfs/dbraw/zinc/47/62/89/526476289.db2.gz BUTBVGUAVGKMJD-UHFFFAOYSA-N 1 0 430.346 2.913 50 0 IFAARO Cc1noc2ncnc(N3CCC[C@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)c12 ZINC000020945087 526687950 /nfs/dbraw/zinc/68/79/50/526687950.db2.gz KIONEZIFUGWTKW-IBGZPJMESA-N 1 0 434.544 2.923 50 0 IFAARO Cc1nc(CN2CCN(Cc3ccccc3OC[C@H](O)C[NH+]3CCCCC3)CC2)cs1 ZINC000020995352 526867038 /nfs/dbraw/zinc/86/70/38/526867038.db2.gz FTAINSZJEXFFJS-HSZRJFAPSA-N 1 0 444.645 2.995 50 0 IFAARO Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000021795882 526970344 /nfs/dbraw/zinc/97/03/44/526970344.db2.gz FVQWFAUIIDCLDB-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO O=C(CSc1nnnn1-c1ccc(O)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012601001 527092442 /nfs/dbraw/zinc/09/24/42/527092442.db2.gz FHEGXNOJUCFPQE-UHFFFAOYSA-N 1 0 430.578 2.765 50 0 IFAARO Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000021153146 527407472 /nfs/dbraw/zinc/40/74/72/527407472.db2.gz SBSUHOMAMMEYQM-SFHVURJKSA-N 1 0 425.360 2.816 50 0 IFAARO O=c1ccc(-c2ccc(S(=O)(=O)NCC[N@H+](Cc3ccco3)C3CCCC3)s2)n[nH]1 ZINC000020984991 527483855 /nfs/dbraw/zinc/48/38/55/527483855.db2.gz VRFFUTLWGKPPMB-UHFFFAOYSA-N 1 0 448.570 2.815 50 0 IFAARO O=c1ccc2cc(S(=O)(=O)NCC3CC[NH+](CCc4cccs4)CC3)ccc2[nH]1 ZINC000033077213 527488631 /nfs/dbraw/zinc/48/86/31/527488631.db2.gz CRIXEOQGBSJLTF-UHFFFAOYSA-N 1 0 431.583 2.823 50 0 IFAARO Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000015729694 527520139 /nfs/dbraw/zinc/52/01/39/527520139.db2.gz RPXBJTBWECNSSH-UHFFFAOYSA-N 1 0 445.321 2.819 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938344 527668166 /nfs/dbraw/zinc/66/81/66/527668166.db2.gz VJGVGALHBXMITG-XMMPIXPASA-N 1 0 447.583 2.940 50 0 IFAARO C[NH+](C)CCCNS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000002152817 555750042 /nfs/dbraw/zinc/75/00/42/555750042.db2.gz UXDXWANEMKKBQV-UHFFFAOYSA-N 1 0 438.390 2.799 50 0 IFAARO Cc1ccc(N2CCN(Cc3nc(C(=O)NCC[NH+]4CCCCC4)co3)CC2)cc1C ZINC000034682353 555816345 /nfs/dbraw/zinc/81/63/45/555816345.db2.gz CXLNIRHZKDRZBX-UHFFFAOYSA-N 1 0 425.577 2.829 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccc(F)cc1)C2=O ZINC000034810981 555908853 /nfs/dbraw/zinc/90/88/53/555908853.db2.gz DGVFVMCRCGPAIT-KRWDZBQOSA-N 1 0 427.524 2.673 50 0 IFAARO COCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)C(C)C ZINC000034831276 555912299 /nfs/dbraw/zinc/91/22/99/555912299.db2.gz HDGITSXRVVEGSS-UHFFFAOYSA-N 1 0 431.556 2.703 50 0 IFAARO COc1cccc(C(=O)N2[C@H](C(=O)NCC[NH+]3CCCC3)COC23CCC(C)CC3)c1 ZINC000034921063 555931508 /nfs/dbraw/zinc/93/15/08/555931508.db2.gz MZKGDIRKQYJAPC-VZQLXNMESA-N 1 0 429.561 2.655 50 0 IFAARO O[C@@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)COc1ccc(OC(F)(F)F)cc1 ZINC000003467476 555936280 /nfs/dbraw/zinc/93/62/80/555936280.db2.gz OSOCSYOUEXJNHU-NSHDSACASA-N 1 0 440.344 2.835 50 0 IFAARO O=C1C[C@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccc(I)cc1 ZINC000008432481 556171828 /nfs/dbraw/zinc/17/18/28/556171828.db2.gz ONDGIEGGDLKIIM-INIZCTEOSA-N 1 0 438.240 2.895 50 0 IFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761334 556331548 /nfs/dbraw/zinc/33/15/48/556331548.db2.gz IJWMSYXUGFWSMN-WMZOPIPTSA-N 1 0 441.553 2.826 50 0 IFAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1 ZINC000011753921 556348883 /nfs/dbraw/zinc/34/88/83/556348883.db2.gz YWZCYJMERSXEOY-UHFFFAOYSA-N 1 0 435.952 2.760 50 0 IFAARO Cc1c(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cnn1C ZINC000011838445 556363388 /nfs/dbraw/zinc/36/33/88/556363388.db2.gz DMRRFTXGTRCCHQ-UHFFFAOYSA-N 1 0 433.984 2.717 50 0 IFAARO Cc1nc(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011840096 556364694 /nfs/dbraw/zinc/36/46/94/556364694.db2.gz ZODVLKARVZDUST-KRWDZBQOSA-N 1 0 432.590 2.858 50 0 IFAARO COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011873061 556369563 /nfs/dbraw/zinc/36/95/63/556369563.db2.gz ZSZVISHQZLECAT-QFIPXVFZSA-N 1 0 441.572 2.624 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc(NC(C)=O)s2)CC3)CC1 ZINC000011908952 556374210 /nfs/dbraw/zinc/37/42/10/556374210.db2.gz FJGLIWIHDITADB-GOSISDBHSA-N 1 0 448.589 2.609 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc(NC(C)=O)s2)CC3)CC1 ZINC000011908951 556374341 /nfs/dbraw/zinc/37/43/41/556374341.db2.gz FJGLIWIHDITADB-SFHVURJKSA-N 1 0 448.589 2.609 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2)c1cccc(F)c1 ZINC000011909099 556374386 /nfs/dbraw/zinc/37/43/86/556374386.db2.gz NPBZYZGAAWSADP-UHFFFAOYSA-N 1 0 430.487 2.954 50 0 IFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)C1 ZINC000011910507 556375006 /nfs/dbraw/zinc/37/50/06/556375006.db2.gz SHVSTTFCNZSIKU-HXUWFJFHSA-N 1 0 438.572 2.916 50 0 IFAARO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996089 556384186 /nfs/dbraw/zinc/38/41/86/556384186.db2.gz RJHIFDDCOIEWJL-HNNXBMFYSA-N 1 0 437.500 2.500 50 0 IFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000012074674 556397211 /nfs/dbraw/zinc/39/72/11/556397211.db2.gz JFCSXBKGDJWQCP-HXUWFJFHSA-N 1 0 448.567 2.818 50 0 IFAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000014534422 556422526 /nfs/dbraw/zinc/42/25/26/556422526.db2.gz NZLZKUFKGDDHFX-FQEVSTJZSA-N 1 0 444.535 2.994 50 0 IFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCN(c3ccccc3OC)CC1)C2 ZINC000014536748 556423736 /nfs/dbraw/zinc/42/37/36/556423736.db2.gz ZNKUXHWCPLDEGI-IBGZPJMESA-N 1 0 437.588 2.827 50 0 IFAARO COc1ccccc1CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014540015 556425212 /nfs/dbraw/zinc/42/52/12/556425212.db2.gz RVXGMBTUXMIBPS-FQEVSTJZSA-N 1 0 440.588 2.710 50 0 IFAARO COc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCO3)C[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000014742186 556439039 /nfs/dbraw/zinc/43/90/39/556439039.db2.gz FPWJJEWNWZCBAM-VSKRKVRLSA-N 1 0 445.604 2.533 50 0 IFAARO COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[NH+]3CCC(C)CC3)C2=O)cc1OC ZINC000013041045 556447119 /nfs/dbraw/zinc/44/71/19/556447119.db2.gz WHFUVUDMVHWHSH-UYRXBGFRSA-N 1 0 447.557 2.588 50 0 IFAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 ZINC000032860420 556447526 /nfs/dbraw/zinc/44/75/26/556447526.db2.gz PJAWXJYSIYZBMB-UHFFFAOYSA-N 1 0 440.569 2.818 50 0 IFAARO Cc1nc(COc2cccc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)c2)cs1 ZINC000014853724 556450379 /nfs/dbraw/zinc/45/03/79/556450379.db2.gz YCQABVYSFPHPNZ-UHFFFAOYSA-N 1 0 449.540 2.670 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1C ZINC000014882161 556454171 /nfs/dbraw/zinc/45/41/71/556454171.db2.gz PYMNXVMVBUCKAM-UHFFFAOYSA-N 1 0 448.571 2.606 50 0 IFAARO COCCOCc1cccc(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000072275397 556456414 /nfs/dbraw/zinc/45/64/14/556456414.db2.gz YBLKRPVRTWNMIO-UHFFFAOYSA-N 1 0 448.608 2.798 50 0 IFAARO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)c12 ZINC000072283836 556474770 /nfs/dbraw/zinc/47/47/70/556474770.db2.gz YLPVPFKEMDNNQQ-INIZCTEOSA-N 1 0 426.609 2.985 50 0 IFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1OC ZINC000014994370 556476820 /nfs/dbraw/zinc/47/68/20/556476820.db2.gz ZHTVQEOWGNMTEY-IBGZPJMESA-N 1 0 429.565 2.967 50 0 IFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1OC ZINC000014994367 556476873 /nfs/dbraw/zinc/47/68/73/556476873.db2.gz ZHTVQEOWGNMTEY-LJQANCHMSA-N 1 0 429.565 2.967 50 0 IFAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000072286677 556478716 /nfs/dbraw/zinc/47/87/16/556478716.db2.gz GUJXRCHJXAGPQO-QTEAWJPNSA-N 1 0 428.602 2.893 50 0 IFAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000072286676 556478826 /nfs/dbraw/zinc/47/88/26/556478826.db2.gz GUJXRCHJXAGPQO-ADSBAMQRSA-N 1 0 428.602 2.893 50 0 IFAARO CCn1c(C[NH2+][C@@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000013141431 556486647 /nfs/dbraw/zinc/48/66/47/556486647.db2.gz VKNXGTGMRRYNCE-KRWDZBQOSA-N 1 0 428.558 2.928 50 0 IFAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015065314 556492486 /nfs/dbraw/zinc/49/24/86/556492486.db2.gz BFPLKNJTOWWPIX-JOCHJYFZSA-N 1 0 426.605 2.682 50 0 IFAARO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030515670 556496151 /nfs/dbraw/zinc/49/61/51/556496151.db2.gz BDIVVWIXKHSHRW-MRXNPFEDSA-N 1 0 425.455 2.681 50 0 IFAARO COCc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000015071459 556496254 /nfs/dbraw/zinc/49/62/54/556496254.db2.gz ISMRUEIMUUPSGC-UHFFFAOYSA-N 1 0 448.571 2.892 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937725 556506557 /nfs/dbraw/zinc/50/65/57/556506557.db2.gz LYSBKQANDZYGHM-DEOSSOPVSA-N 1 0 434.584 2.792 50 0 IFAARO COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000022938110 556507904 /nfs/dbraw/zinc/50/79/04/556507904.db2.gz JANOWEXRSMGTKM-QFIPXVFZSA-N 1 0 438.572 2.506 50 0 IFAARO COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000015387764 556523947 /nfs/dbraw/zinc/52/39/47/556523947.db2.gz OUSRBAFGAQEEJC-LJQANCHMSA-N 1 0 448.361 2.997 50 0 IFAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032899237 556528206 /nfs/dbraw/zinc/52/82/06/556528206.db2.gz UOWMCJOYSXIYAX-CALCHBBNSA-N 1 0 449.548 2.856 50 0 IFAARO COc1ccc([C@H](CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)[NH+](C)C)cc1 ZINC000015534285 556533583 /nfs/dbraw/zinc/53/35/83/556533583.db2.gz MSJBJXJXTFSQON-INIZCTEOSA-N 1 0 426.542 2.754 50 0 IFAARO CC(C)N1C[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032511827 556540434 /nfs/dbraw/zinc/54/04/34/556540434.db2.gz QODSCNRCCFGWAX-CTNGQTDRSA-N 1 0 445.510 2.993 50 0 IFAARO CC[N@H+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305219 556550205 /nfs/dbraw/zinc/55/02/05/556550205.db2.gz WUCWAHDFYDVXDH-QFIPXVFZSA-N 1 0 429.586 2.602 50 0 IFAARO CCOC(=O)C1C(CN2CC[N@H+](C)CC23CCCCC3)=NC(=O)N[C@H]1c1ccccc1 ZINC000072308922 556568086 /nfs/dbraw/zinc/56/80/86/556568086.db2.gz GSCUQVMOUJKJRB-NRFANRHFSA-N 1 0 426.561 2.808 50 0 IFAARO COc1ccc(-n2ncc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2C(F)(F)F)nn1 ZINC000032909108 556568372 /nfs/dbraw/zinc/56/83/72/556568372.db2.gz ZFKBDFCWCGQJLV-UHFFFAOYSA-N 1 0 426.443 2.729 50 0 IFAARO CC(C)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022143 556575455 /nfs/dbraw/zinc/57/54/55/556575455.db2.gz TUBRIGMLJAQQEY-PDFGSZSQSA-N 1 0 435.499 2.835 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022265 556575640 /nfs/dbraw/zinc/57/56/40/556575640.db2.gz QKWYHISIVFQWLP-ULMVMLMRSA-N 1 0 434.334 2.626 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016024550 556575921 /nfs/dbraw/zinc/57/59/21/556575921.db2.gz YGUKFBBBTVXVDY-VPCSNGCSSA-N 1 0 434.334 2.624 50 0 IFAARO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000022241766 556578180 /nfs/dbraw/zinc/57/81/80/556578180.db2.gz KKAGNTNKTSIJHM-UHFFFAOYSA-N 1 0 437.584 2.926 50 0 IFAARO COc1cc(OC)c(N2C[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)CC2=O)cc1Cl ZINC000032989066 556608980 /nfs/dbraw/zinc/60/89/80/556608980.db2.gz RJPLKIHCRSVPEH-OAHLLOKOSA-N 1 0 425.957 2.945 50 0 IFAARO C[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000032916502 556615251 /nfs/dbraw/zinc/61/52/51/556615251.db2.gz NDDLTSOJFYPZLS-UHFFFAOYSA-N 1 0 427.492 2.931 50 0 IFAARO COCc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396088 556638743 /nfs/dbraw/zinc/63/87/43/556638743.db2.gz OHMPOTXNHLGYLH-UHFFFAOYSA-N 1 0 426.908 2.858 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000409414900 556641308 /nfs/dbraw/zinc/64/13/08/556641308.db2.gz YIDXDQPJEVULJJ-RBZQAINGSA-N 1 0 441.616 2.817 50 0 IFAARO COc1ccc(-c2c(C(=O)N3CCN(C4CC[NH+](C)CC4)CC3)nc3ccccn32)cc1 ZINC000097939313 556652096 /nfs/dbraw/zinc/65/20/96/556652096.db2.gz NHGQEMKFANYLAP-UHFFFAOYSA-N 1 0 433.556 2.862 50 0 IFAARO CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1cc2cc(F)ccc2[nH]1 ZINC000011815110 556658177 /nfs/dbraw/zinc/65/81/77/556658177.db2.gz FQMLZQVEPYXATR-OAQYLSRUSA-N 1 0 438.503 2.713 50 0 IFAARO Cc1cccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135420 556669152 /nfs/dbraw/zinc/66/91/52/556669152.db2.gz JJFNISISAQXRBM-UHFFFAOYSA-N 1 0 429.528 2.982 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998734 556679623 /nfs/dbraw/zinc/67/96/23/556679623.db2.gz HGBDPWMWCRJUSY-IBGZPJMESA-N 1 0 445.541 2.693 50 0 IFAARO O=C(CN(CCCc1ccccc1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000033032676 556712822 /nfs/dbraw/zinc/71/28/22/556712822.db2.gz TUWFTUYOUJEKOS-UHFFFAOYSA-N 1 0 444.373 2.956 50 0 IFAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Br)cc2)c1 ZINC000033032770 556713273 /nfs/dbraw/zinc/71/32/73/556713273.db2.gz HUZBLWYWFGKJGU-UHFFFAOYSA-N 1 0 430.346 2.832 50 0 IFAARO CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033759 556714423 /nfs/dbraw/zinc/71/44/23/556714423.db2.gz UPBROUMUJWIJDB-UHFFFAOYSA-N 1 0 436.965 2.689 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033770 556714609 /nfs/dbraw/zinc/71/46/09/556714609.db2.gz DVDGHGCBBIJJJQ-UHFFFAOYSA-N 1 0 430.574 2.652 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)CC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034002 556715183 /nfs/dbraw/zinc/71/51/83/556715183.db2.gz BRHXYUODMUSROZ-QGZVFWFLSA-N 1 0 444.601 2.988 50 0 IFAARO CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033613 556715237 /nfs/dbraw/zinc/71/52/37/556715237.db2.gz YAKVTLZKHHKURM-UHFFFAOYSA-N 1 0 430.574 2.551 50 0 IFAARO O=C(c1nc2ccccn2c1CN1CCCC[C@@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000019225587 556717075 /nfs/dbraw/zinc/71/70/75/556717075.db2.gz NFQSOHVIKVWLIU-OAQYLSRUSA-N 1 0 439.604 2.772 50 0 IFAARO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000138545763 556718761 /nfs/dbraw/zinc/71/87/61/556718761.db2.gz UMWHVBTZIYRUQL-KCXPTXFHSA-N 1 0 425.847 2.910 50 0 IFAARO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C ZINC000078823041 556736455 /nfs/dbraw/zinc/73/64/55/556736455.db2.gz WMRKITDPKYBVPR-LJQANCHMSA-N 1 0 433.512 2.965 50 0 IFAARO O=C(CCN1CCCO1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055243796 556738586 /nfs/dbraw/zinc/73/85/86/556738586.db2.gz RVBLTJPUUQGWFS-FQEVSTJZSA-N 1 0 440.510 2.846 50 0 IFAARO COCCN1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000055271974 556739314 /nfs/dbraw/zinc/73/93/14/556739314.db2.gz FFJBOMWXZWTTFI-UHFFFAOYSA-N 1 0 438.572 2.529 50 0 IFAARO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000058018933 556754114 /nfs/dbraw/zinc/75/41/14/556754114.db2.gz XENVJRQVJDYRFF-NRFANRHFSA-N 1 0 426.586 2.829 50 0 IFAARO Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017867 556754195 /nfs/dbraw/zinc/75/41/95/556754195.db2.gz XCZHREQKUYQYLX-PXNSSMCTSA-N 1 0 436.585 2.839 50 0 IFAARO COC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CC[N@H+](C)C2 ZINC000062007122 556765087 /nfs/dbraw/zinc/76/50/87/556765087.db2.gz NVTKVPIXMXJDPQ-UHFFFAOYSA-N 1 0 446.507 2.632 50 0 IFAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1 ZINC000062007125 556765099 /nfs/dbraw/zinc/76/50/99/556765099.db2.gz ICCLFRNVJMHNCT-UHFFFAOYSA-N 1 0 448.523 2.944 50 0 IFAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000058165845 556766446 /nfs/dbraw/zinc/76/64/46/556766446.db2.gz IMPWJSFGGOWPSI-GOSISDBHSA-N 1 0 430.593 2.952 50 0 IFAARO CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166281 556766551 /nfs/dbraw/zinc/76/65/51/556766551.db2.gz BWKPGIDAJORUFY-URXFXBBRSA-N 1 0 443.636 2.629 50 0 IFAARO COc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(OC)c1 ZINC000058179478 556769923 /nfs/dbraw/zinc/76/99/23/556769923.db2.gz IREJJZPKVKCBCH-HXUWFJFHSA-N 1 0 438.572 2.702 50 0 IFAARO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000058229457 556774081 /nfs/dbraw/zinc/77/40/81/556774081.db2.gz SGZZUVKLJNPPMB-KRWDZBQOSA-N 1 0 436.574 2.816 50 0 IFAARO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000058230639 556774286 /nfs/dbraw/zinc/77/42/86/556774286.db2.gz QZVQJJPWXURJGL-KRWDZBQOSA-N 1 0 427.998 2.922 50 0 IFAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000058265264 556776451 /nfs/dbraw/zinc/77/64/51/556776451.db2.gz PJANONKHKCJSDX-UHFFFAOYSA-N 1 0 428.577 2.904 50 0 IFAARO C[C@@H]1CN(c2ccc(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 ZINC000058305112 556778704 /nfs/dbraw/zinc/77/87/04/556778704.db2.gz FLFBYGKGRXYZJP-CBGDNZLLSA-N 1 0 449.571 2.504 50 0 IFAARO COCC[N@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000058364970 556783152 /nfs/dbraw/zinc/78/31/52/556783152.db2.gz HPZRNOPZUDJKHI-ZDUSSCGKSA-N 1 0 425.776 2.834 50 0 IFAARO Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799874 556827310 /nfs/dbraw/zinc/82/73/10/556827310.db2.gz BFIZDCDYWHXXGS-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065362347 556834203 /nfs/dbraw/zinc/83/42/03/556834203.db2.gz XTOWGGOXXRLGSK-UHFFFAOYSA-N 1 0 437.516 2.564 50 0 IFAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c(Cl)c1 ZINC000065362352 556834354 /nfs/dbraw/zinc/83/43/54/556834354.db2.gz IGIVUBOGUJOWTH-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO CSc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000067630085 556845147 /nfs/dbraw/zinc/84/51/47/556845147.db2.gz HHDZBTNXEMKZIJ-UHFFFAOYSA-N 1 0 425.620 2.653 50 0 IFAARO CCOc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000033077546 556854678 /nfs/dbraw/zinc/85/46/78/556854678.db2.gz DITSMRIFNTWLPV-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO CC[NH+](CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)C1 ZINC000019744847 556891531 /nfs/dbraw/zinc/89/15/31/556891531.db2.gz XWXMTZKWLSMLGZ-LJQANCHMSA-N 1 0 440.654 2.942 50 0 IFAARO CCC[NH+]1CCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1 ZINC000019745508 556891983 /nfs/dbraw/zinc/89/19/83/556891983.db2.gz FFMKRDUDFFCVFW-NRFANRHFSA-N 1 0 439.478 2.666 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)C1 ZINC000033256198 556895286 /nfs/dbraw/zinc/89/52/86/556895286.db2.gz XJETWZCVCRKICM-HXUWFJFHSA-N 1 0 428.625 2.922 50 0 IFAARO CCOCc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000019791298 556915212 /nfs/dbraw/zinc/91/52/12/556915212.db2.gz AUHAXFYKRALMLY-DEOSSOPVSA-N 1 0 433.637 2.973 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)C1CCC1 ZINC000019836937 556928442 /nfs/dbraw/zinc/92/84/42/556928442.db2.gz CYSKYHWFPINNHH-UHFFFAOYSA-N 1 0 437.466 2.694 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283429 557005331 /nfs/dbraw/zinc/00/53/31/557005331.db2.gz JOJGFLLLLDLUJC-QFIPXVFZSA-N 1 0 426.561 2.808 50 0 IFAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1C(C)C ZINC000020295542 557006268 /nfs/dbraw/zinc/00/62/68/557006268.db2.gz LVZLGTMOLNDNIJ-VWNXMTODSA-N 1 0 425.573 2.969 50 0 IFAARO Cc1cccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3cccc(C)c3)CC2)c1 ZINC000022942609 557053738 /nfs/dbraw/zinc/05/37/38/557053738.db2.gz BBJHWPAIBCAPKZ-UHFFFAOYSA-N 1 0 436.600 2.861 50 0 IFAARO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275433 557054463 /nfs/dbraw/zinc/05/44/63/557054463.db2.gz XAZVEAHXBGYLSS-QGZVFWFLSA-N 1 0 430.574 2.734 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(CCC)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275452 557054485 /nfs/dbraw/zinc/05/44/85/557054485.db2.gz UEXFTULCBQVLLM-UHFFFAOYSA-N 1 0 444.601 2.989 50 0 IFAARO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)ccn2)CC1 ZINC000048279418 557057502 /nfs/dbraw/zinc/05/75/02/557057502.db2.gz FHTIWZSCCBBFHK-UHFFFAOYSA-N 1 0 448.898 2.984 50 0 IFAARO CCCn1c2ccccc2n(CC(=O)N[C@H](C)CC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000048312074 557061224 /nfs/dbraw/zinc/06/12/24/557061224.db2.gz KRIVHLHURFQRLQ-OAQYLSRUSA-N 1 0 449.599 2.930 50 0 IFAARO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048299134 557061273 /nfs/dbraw/zinc/06/12/73/557061273.db2.gz ACZBQTRNHLXXJJ-FQEVSTJZSA-N 1 0 428.537 2.700 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(C)cc2C)CC3)cc1 ZINC000023129515 557066341 /nfs/dbraw/zinc/06/63/41/557066341.db2.gz LIGPRRNQAOJCQJ-UHFFFAOYSA-N 1 0 433.556 2.934 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1 ZINC000023134208 557066779 /nfs/dbraw/zinc/06/67/79/557066779.db2.gz LBFXMBKNZKOKSF-UHFFFAOYSA-N 1 0 442.585 2.865 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023134326 557067176 /nfs/dbraw/zinc/06/71/76/557067176.db2.gz WWBGAZOSUIUKOG-UHFFFAOYSA-N 1 0 430.574 2.721 50 0 IFAARO COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCCC2)cc1N1CCCCC1=O ZINC000048368964 557075926 /nfs/dbraw/zinc/07/59/26/557075926.db2.gz ANPHFLYVOKNECW-PXNSSMCTSA-N 1 0 430.549 2.835 50 0 IFAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000023249303 557078188 /nfs/dbraw/zinc/07/81/88/557078188.db2.gz FVMCQINTFGUOGT-UHFFFAOYSA-N 1 0 445.567 2.548 50 0 IFAARO O=C(CCCc1cccs1)N1CCOc2ccc(CN3CC[NH+](CCO)CC3)cc2C1 ZINC000023362719 557088004 /nfs/dbraw/zinc/08/80/04/557088004.db2.gz MWBBPDMAAOJDAO-UHFFFAOYSA-N 1 0 443.613 2.602 50 0 IFAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375078 557088926 /nfs/dbraw/zinc/08/89/26/557088926.db2.gz KYGROXJYROIEMT-LJQANCHMSA-N 1 0 443.617 2.720 50 0 IFAARO COc1cccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000049400880 557096636 /nfs/dbraw/zinc/09/66/36/557096636.db2.gz MSYRLAWLHGAMMW-GOSISDBHSA-N 1 0 446.551 2.996 50 0 IFAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1OC ZINC000033318631 557100262 /nfs/dbraw/zinc/10/02/62/557100262.db2.gz IDHADLIZHDRCAR-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000409413333 557109442 /nfs/dbraw/zinc/10/94/42/557109442.db2.gz IBJUFGNQYYAZML-YTFSRNRJSA-N 1 0 427.589 2.775 50 0 IFAARO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)C2=O)cc1 ZINC000023737949 557112390 /nfs/dbraw/zinc/11/23/90/557112390.db2.gz TZAKCOCVUXEYLM-SQJMNOBHSA-N 1 0 434.540 2.715 50 0 IFAARO O=C(CSCc1cc(=O)n2ccsc2n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024590931 557152227 /nfs/dbraw/zinc/15/22/27/557152227.db2.gz XKMCGHMXWPBNAP-UHFFFAOYSA-N 1 0 428.583 2.770 50 0 IFAARO C[NH+](C)CCNC(=O)Cn1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000072291523 557155699 /nfs/dbraw/zinc/15/56/99/557155699.db2.gz QMBVYFCWDOJVBM-UHFFFAOYSA-N 1 0 448.738 2.539 50 0 IFAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1 ZINC000024833925 557166068 /nfs/dbraw/zinc/16/60/68/557166068.db2.gz WUHSYHAIJUXOGS-HDICACEKSA-N 1 0 435.524 2.712 50 0 IFAARO CC[NH+](CC)[C@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(OC)c1 ZINC000024948430 557182162 /nfs/dbraw/zinc/18/21/62/557182162.db2.gz SAILVXPITVTSGK-HXUWFJFHSA-N 1 0 425.485 2.568 50 0 IFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000025252233 557201173 /nfs/dbraw/zinc/20/11/73/557201173.db2.gz FGBQNOJFUILOMV-TZIWHRDSSA-N 1 0 445.560 2.617 50 0 IFAARO O=C(CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604406176 557239597 /nfs/dbraw/zinc/23/95/97/557239597.db2.gz XZALTYYBLGTSSQ-KSEOMHKRSA-N 1 0 438.572 2.536 50 0 IFAARO O=C(CNC(=O)c1ccc(Br)o1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027606091 557267614 /nfs/dbraw/zinc/26/76/14/557267614.db2.gz KFSCRHHTEZWABG-GFCCVEGCSA-N 1 0 426.336 2.787 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C(C)C)c1 ZINC000027676165 557271228 /nfs/dbraw/zinc/27/12/28/557271228.db2.gz FUTDVGCLRMYCNB-ICSRJNTNSA-N 1 0 433.574 2.939 50 0 IFAARO CC[NH+](CC)CCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260354 557329764 /nfs/dbraw/zinc/32/97/64/557329764.db2.gz BBLAHWZQCHAUTE-UHFFFAOYSA-N 1 0 439.539 2.605 50 0 IFAARO CCN1CCN(C(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)CC1 ZINC000033332038 557333555 /nfs/dbraw/zinc/33/35/55/557333555.db2.gz GGMPTSANGSNCMZ-UHFFFAOYSA-N 1 0 445.361 2.961 50 0 IFAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1ccccc1Cl ZINC000023362745 557350917 /nfs/dbraw/zinc/35/09/17/557350917.db2.gz GLMVNSFYJWUFHR-GGAORHGYSA-N 1 0 427.976 2.803 50 0 IFAARO COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000257198628 557395426 /nfs/dbraw/zinc/39/54/26/557395426.db2.gz DWVWVAORASEINR-NLWGTHIKSA-N 1 0 429.561 2.780 50 0 IFAARO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)NC(=O)N[C@H]1c1ccco1 ZINC000107536370 557536116 /nfs/dbraw/zinc/53/61/16/557536116.db2.gz CHOYRQQNFAAZKE-KNQAVFIVSA-N 1 0 439.512 2.724 50 0 IFAARO COc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1I ZINC000108140098 557541091 /nfs/dbraw/zinc/54/10/91/557541091.db2.gz JQAWFGOOTOGFCJ-XQQFMLRXSA-N 1 0 431.318 2.791 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000109037598 557545235 /nfs/dbraw/zinc/54/52/35/557545235.db2.gz VDHBIFFCUGKQIW-SRGWNRLKSA-N 1 0 426.561 2.501 50 0 IFAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000045944630 557553230 /nfs/dbraw/zinc/55/32/30/557553230.db2.gz OXSOTONIBIVNFC-HXUWFJFHSA-N 1 0 443.613 2.865 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1C ZINC000045944607 557553250 /nfs/dbraw/zinc/55/32/50/557553250.db2.gz BWNHJLBUUCYESX-NRFANRHFSA-N 1 0 443.613 2.920 50 0 IFAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000045974812 557556755 /nfs/dbraw/zinc/55/67/55/557556755.db2.gz YGOSZAUJQANEID-UHFFFAOYSA-N 1 0 443.613 2.797 50 0 IFAARO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000229981818 557834774 /nfs/dbraw/zinc/83/47/74/557834774.db2.gz GCGFHEPKAAPXBJ-GBESFXJTSA-N 1 0 439.597 2.946 50 0 IFAARO O=C(NCc1cccc(Br)c1)NC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000236782309 557840165 /nfs/dbraw/zinc/84/01/65/557840165.db2.gz FJCMJCDEJRKRRC-KRWDZBQOSA-N 1 0 437.382 2.819 50 0 IFAARO O=C(NCc1cccc(Br)c1)NC1(C(=O)NC[C@H]2CCCC[NH2+]2)CCCC1 ZINC000236782389 557840175 /nfs/dbraw/zinc/84/01/75/557840175.db2.gz FJCMJCDEJRKRRC-QGZVFWFLSA-N 1 0 437.382 2.819 50 0 IFAARO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009691295 562975549 /nfs/dbraw/zinc/97/55/49/562975549.db2.gz AXZDBYBAGOKSGK-FQEVSTJZSA-N 1 0 435.977 2.914 50 0 IFAARO COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000009779498 562976815 /nfs/dbraw/zinc/97/68/15/562976815.db2.gz ULTCWXXTWVHVPC-UHFFFAOYSA-N 1 0 431.558 2.591 50 0 IFAARO COc1cccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1OC ZINC000012020250 562980323 /nfs/dbraw/zinc/98/03/23/562980323.db2.gz JVEXKCDWOKLDDX-LJQANCHMSA-N 1 0 442.560 2.689 50 0 IFAARO Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)cc1 ZINC000105038596 568624176 /nfs/dbraw/zinc/62/41/76/568624176.db2.gz PHWDLVHMODSJGV-NOZRDPDXSA-N 1 0 438.568 2.988 50 0 IFAARO CC(C)(CO)C[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000299754864 568755279 /nfs/dbraw/zinc/75/52/79/568755279.db2.gz AKLQSLOOXZLRQR-UHFFFAOYSA-N 1 0 439.556 2.922 50 0 IFAARO CC[NH+](CC)CCN(C)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O ZINC000299761067 568755649 /nfs/dbraw/zinc/75/56/49/568755649.db2.gz QWOSRYUOJFYRCM-RUZDIDTESA-N 1 0 445.604 2.928 50 0 IFAARO O=C1CO[C@H](CNc2ccc(C(F)(F)F)cn2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299794712 568757719 /nfs/dbraw/zinc/75/77/19/568757719.db2.gz MQDBSEBJBOGVQE-GOSISDBHSA-N 1 0 426.483 2.862 50 0 IFAARO O=C1CO[C@@H](CNc2ncccc2C(F)(F)F)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299802707 568758146 /nfs/dbraw/zinc/75/81/46/568758146.db2.gz VXOFSWMJSLRSDK-KRWDZBQOSA-N 1 0 426.483 2.862 50 0 IFAARO CC1=C(C(=O)NCc2ccc3c(c2)OCO3)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000015679417 568805175 /nfs/dbraw/zinc/80/51/75/568805175.db2.gz NSFDUEQRLVWLBJ-UHFFFAOYSA-N 1 0 434.492 2.940 50 0 IFAARO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1 ZINC000015679009 568805398 /nfs/dbraw/zinc/80/53/98/568805398.db2.gz CCXDYTNEXBOJFR-PKOBYXMFSA-N 1 0 427.549 2.952 50 0 IFAARO O=C1CCSc2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2N1 ZINC000015731047 568814468 /nfs/dbraw/zinc/81/44/68/568814468.db2.gz RHNMLMSOXVWHSZ-UHFFFAOYSA-N 1 0 431.583 2.848 50 0 IFAARO C[NH+](C)CCNC(=O)C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000015734945 568816497 /nfs/dbraw/zinc/81/64/97/568816497.db2.gz CYNCKUUSEQINBL-UHFFFAOYSA-N 1 0 438.395 2.862 50 0 IFAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(N4CCCCC4=O)cc3)cc2)CC1 ZINC000011906601 568819477 /nfs/dbraw/zinc/81/94/77/568819477.db2.gz DTTQSBBSMQIDCT-UHFFFAOYSA-N 1 0 428.558 2.756 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)ccc21 ZINC000015784257 568826976 /nfs/dbraw/zinc/82/69/76/568826976.db2.gz ADRDAHPOWNKDTN-UHFFFAOYSA-N 1 0 446.617 2.664 50 0 IFAARO O=C(CN1C(=O)CCc2cc(Br)ccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000015785418 568829662 /nfs/dbraw/zinc/82/96/62/568829662.db2.gz CBOUQRYMKXRTLA-UHFFFAOYSA-N 1 0 442.357 2.903 50 0 IFAARO CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000015864186 568849435 /nfs/dbraw/zinc/84/94/35/568849435.db2.gz OYZNGBIQNMSNLY-UHFFFAOYSA-N 1 0 429.586 2.508 50 0 IFAARO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000015868678 568852234 /nfs/dbraw/zinc/85/22/34/568852234.db2.gz JFUUSYXZHPYWNS-QGZVFWFLSA-N 1 0 426.561 2.877 50 0 IFAARO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229756101 568886856 /nfs/dbraw/zinc/88/68/56/568886856.db2.gz HYTHEVIYSNDMSN-QFBILLFUSA-N 1 0 448.614 2.715 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000012971745 568888263 /nfs/dbraw/zinc/88/82/63/568888263.db2.gz ICTJJTBDVAVRKD-SFHVURJKSA-N 1 0 427.929 2.762 50 0 IFAARO COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000012980893 568893971 /nfs/dbraw/zinc/89/39/71/568893971.db2.gz RRXSGJZJHHLKIZ-IBGZPJMESA-N 1 0 449.548 2.652 50 0 IFAARO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000239310304 568911194 /nfs/dbraw/zinc/91/11/94/568911194.db2.gz IIALHVOAKODKED-AZUAARDMSA-N 1 0 429.542 2.959 50 0 IFAARO CC(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(c4ccccc4N(C)C3=O)[C@H]2C1=O ZINC000245235480 568913064 /nfs/dbraw/zinc/91/30/64/568913064.db2.gz LEKAGIYBNROEHO-XSWHYFMGSA-N 1 0 442.519 2.564 50 0 IFAARO CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)C2=O)CC1 ZINC000064567213 568933320 /nfs/dbraw/zinc/93/33/20/568933320.db2.gz AEERFANHNQXOAF-IBGZPJMESA-N 1 0 438.572 2.780 50 0 IFAARO COc1ccc(OC[C@@H](O)C[N@H+](CCN2CCOCC2)Cc2ccc(C)cc2C)cc1 ZINC000036098869 568952080 /nfs/dbraw/zinc/95/20/80/568952080.db2.gz WOLOMKJHRUOXCF-QHCPKHFHSA-N 1 0 428.573 2.886 50 0 IFAARO CCNc1nc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(C)[nH+]1 ZINC000064800528 568961313 /nfs/dbraw/zinc/96/13/13/568961313.db2.gz CBAHHWHGIIQJIR-UHFFFAOYSA-N 1 0 429.468 2.747 50 0 IFAARO CCn1c2c(C(=O)N3CCC(C)CC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835877 568969002 /nfs/dbraw/zinc/96/90/02/568969002.db2.gz JVJUFVUZFDGEAZ-UHFFFAOYSA-N 1 0 433.556 2.946 50 0 IFAARO Cn1c2c(C(=O)Nc3ccc(F)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836091 568969220 /nfs/dbraw/zinc/96/92/20/568969220.db2.gz RBTUYONITDFDOX-UHFFFAOYSA-N 1 0 431.471 2.983 50 0 IFAARO Cn1c2ccccc2nc(N2CCC(C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)c1=O ZINC000064873838 568978655 /nfs/dbraw/zinc/97/86/55/568978655.db2.gz SLHFBHDDDJMBFW-UHFFFAOYSA-N 1 0 447.583 2.788 50 0 IFAARO CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000036256305 568984931 /nfs/dbraw/zinc/98/49/31/568984931.db2.gz WKVBUXGRDJJVEA-MIFWMJNYSA-N 1 0 440.632 2.861 50 0 IFAARO CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc21 ZINC000064952258 568996690 /nfs/dbraw/zinc/99/66/90/568996690.db2.gz WVFQCCCKTJMOCD-MRXNPFEDSA-N 1 0 425.620 2.936 50 0 IFAARO CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc21 ZINC000064952260 568996710 /nfs/dbraw/zinc/99/67/10/568996710.db2.gz WVFQCCCKTJMOCD-INIZCTEOSA-N 1 0 425.620 2.936 50 0 IFAARO CC(C)C(=O)N(CC[NH+](C)C)Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1 ZINC000036312210 568997560 /nfs/dbraw/zinc/99/75/60/568997560.db2.gz PWUZIHQVMTXVCL-UHFFFAOYSA-N 1 0 431.556 2.779 50 0 IFAARO CCC[NH+]1CCN(C(=O)[C@H](CC)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064970930 569076393 /nfs/dbraw/zinc/07/63/93/569076393.db2.gz JIQVYYLPMCMIJQ-FQEVSTJZSA-N 1 0 436.560 2.704 50 0 IFAARO CCC[NH+]1CCN(C(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062205 569097026 /nfs/dbraw/zinc/09/70/26/569097026.db2.gz JXUPTVDDDNUDCZ-HNNXBMFYSA-N 1 0 448.054 2.993 50 0 IFAARO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)n3)c2c1 ZINC000065111771 569107788 /nfs/dbraw/zinc/10/77/88/569107788.db2.gz GNQHEOHSOJPMRO-UHFFFAOYSA-N 1 0 447.495 2.512 50 0 IFAARO CCN1C(=O)COc2cc(-c3noc(C(=O)N4CC[NH+](C5CCCCC5)CC4)n3)ccc21 ZINC000065137970 569110551 /nfs/dbraw/zinc/11/05/51/569110551.db2.gz KZMRGRDOSLTANK-UHFFFAOYSA-N 1 0 439.516 2.572 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(F)cc2)CC1 ZINC000065210110 569116545 /nfs/dbraw/zinc/11/65/45/569116545.db2.gz LGLQCVSFIHOVPE-UHFFFAOYSA-N 1 0 439.535 2.788 50 0 IFAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncccc3-c3noc(CC)n3)C2)CC1 ZINC000065227757 569117536 /nfs/dbraw/zinc/11/75/36/569117536.db2.gz KOGASUGUDZXXAI-SFHVURJKSA-N 1 0 426.565 2.855 50 0 IFAARO O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCCn1ccnc1 ZINC000524729918 569125896 /nfs/dbraw/zinc/12/58/96/569125896.db2.gz OIMGNHHTZKIYOK-QFIPXVFZSA-N 1 0 429.480 2.595 50 0 IFAARO C[NH+]1CCC(NC(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)CC1 ZINC000065270907 569127573 /nfs/dbraw/zinc/12/75/73/569127573.db2.gz GHIWGEQXKBIJSF-UHFFFAOYSA-N 1 0 433.487 2.661 50 0 IFAARO COCc1nnc(-c2cccc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)c2)o1 ZINC000170613588 569146271 /nfs/dbraw/zinc/14/62/71/569146271.db2.gz YGUQSDMSLMJTEC-OAQYLSRUSA-N 1 0 436.512 2.904 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cn2)CC1 ZINC000014521952 569159278 /nfs/dbraw/zinc/15/92/78/569159278.db2.gz SAPZICWRRRYCFZ-UHFFFAOYSA-N 1 0 436.541 2.723 50 0 IFAARO CC1(C[NH+]2CCOCC2)CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000089919460 569167810 /nfs/dbraw/zinc/16/78/10/569167810.db2.gz LOLNGKUMPCQKDQ-UHFFFAOYSA-N 1 0 429.561 2.691 50 0 IFAARO CC[NH+]1CCN([C@H]2CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977318 569169354 /nfs/dbraw/zinc/16/93/54/569169354.db2.gz WJGCXLAAYCGWTC-INIZCTEOSA-N 1 0 437.491 2.558 50 0 IFAARO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2=O)cc1 ZINC000252510530 569188610 /nfs/dbraw/zinc/18/86/10/569188610.db2.gz ZMXUHZICUKVDSH-HYBUGGRVSA-N 1 0 426.561 2.675 50 0 IFAARO CCn1nccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820147 569211719 /nfs/dbraw/zinc/21/17/19/569211719.db2.gz VCRBNMJTQNPYQW-JOCHJYFZSA-N 1 0 437.588 2.879 50 0 IFAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)CC1 ZINC000581819867 569211774 /nfs/dbraw/zinc/21/17/74/569211774.db2.gz PGMQXUWLJQLYGF-FQEVSTJZSA-N 1 0 439.597 2.554 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000253386479 569264130 /nfs/dbraw/zinc/26/41/30/569264130.db2.gz WWVKMMNZJNDWBR-IHVXWDLPSA-N 1 0 445.903 2.502 50 0 IFAARO CCNC(=O)COc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1 ZINC000253429815 569267493 /nfs/dbraw/zinc/26/74/93/569267493.db2.gz ILCVCFNOVTZIDN-UHFFFAOYSA-N 1 0 435.528 2.879 50 0 IFAARO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000078802957 569318982 /nfs/dbraw/zinc/31/89/82/569318982.db2.gz MQCYXOXIPVPOLG-OAQYLSRUSA-N 1 0 441.597 2.923 50 0 IFAARO Cc1cccc(N2CCN(C(=O)C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 ZINC000079105460 569325621 /nfs/dbraw/zinc/32/56/21/569325621.db2.gz RZOIODVDWLAVRS-DEOSSOPVSA-N 1 0 430.593 2.927 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000079105487 569325746 /nfs/dbraw/zinc/32/57/46/569325746.db2.gz AUVVUMQGCRUKOC-OAQYLSRUSA-N 1 0 441.594 2.599 50 0 IFAARO O=c1oc2cc(OC[C@@H](O)CN3CC[NH+](Cc4ccccc4)CC3)ccc2c2c1CCC2 ZINC000019912355 569331907 /nfs/dbraw/zinc/33/19/07/569331907.db2.gz XARXGOHNADHJFA-FQEVSTJZSA-N 1 0 434.536 2.839 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NCc3cccnc3)cc12 ZINC000020136196 569335903 /nfs/dbraw/zinc/33/59/03/569335903.db2.gz AGTAHYDJFZFHGC-UHFFFAOYSA-N 1 0 446.555 2.725 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214050 569356459 /nfs/dbraw/zinc/35/64/59/569356459.db2.gz UGVYJNRRDPDBTH-YWZLYKJASA-N 1 0 434.968 2.927 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241714 569358011 /nfs/dbraw/zinc/35/80/11/569358011.db2.gz TVRUQGFOAVEIQZ-AUMHUTNHSA-N 1 0 449.573 2.516 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000095100972 569358144 /nfs/dbraw/zinc/35/81/44/569358144.db2.gz YWXSBLWPYAOGPT-OAQYLSRUSA-N 1 0 440.569 2.737 50 0 IFAARO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095440473 569366616 /nfs/dbraw/zinc/36/66/16/569366616.db2.gz JMTUGGAQWNWTJQ-RYUDHWBXSA-N 1 0 441.903 2.578 50 0 IFAARO CCOC(=O)c1sc(NC(=O)CN2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000095468472 569371375 /nfs/dbraw/zinc/37/13/75/569371375.db2.gz DHGXPHCQMGSYCR-UHFFFAOYSA-N 1 0 437.606 2.996 50 0 IFAARO CC(C)[N@H+](CCNC(=O)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1)Cc1ccco1 ZINC000096331587 569396413 /nfs/dbraw/zinc/39/64/13/569396413.db2.gz YVUGXVLNYZJYKN-UHFFFAOYSA-N 1 0 444.561 2.628 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096343940 569396917 /nfs/dbraw/zinc/39/69/17/569396917.db2.gz IJLNOAFZQBDOTE-KRWDZBQOSA-N 1 0 435.503 2.836 50 0 IFAARO CC1CC[NH+](CCNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)CC1 ZINC000096372493 569397950 /nfs/dbraw/zinc/39/79/50/569397950.db2.gz VRUNLNNNCCZHSS-UHFFFAOYSA-N 1 0 446.555 2.549 50 0 IFAARO O=C(C[C@H]1CSc2ccccc2NC1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000096592602 569402017 /nfs/dbraw/zinc/40/20/17/569402017.db2.gz JWGGCGVEMUYLCG-FQEVSTJZSA-N 1 0 438.597 2.671 50 0 IFAARO CCCCCCn1c(N2CC[NH+](Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952444 569428481 /nfs/dbraw/zinc/42/84/81/569428481.db2.gz NVCJKFCUUULVLX-UHFFFAOYSA-N 1 0 438.576 2.634 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000057110948 569429617 /nfs/dbraw/zinc/42/96/17/569429617.db2.gz WWVKMMNZJNDWBR-IRQJKIPJSA-N 1 0 445.903 2.502 50 0 IFAARO C[NH+](C)CCn1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cn1 ZINC000058163062 569449341 /nfs/dbraw/zinc/44/93/41/569449341.db2.gz HPLPULQJMABAOA-UHFFFAOYSA-N 1 0 428.543 2.583 50 0 IFAARO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000058170873 569449598 /nfs/dbraw/zinc/44/95/98/569449598.db2.gz PWWXWLXKEPTERH-KRWDZBQOSA-N 1 0 431.643 2.918 50 0 IFAARO Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1C[NH+]1CCC(C(N)=O)CC1 ZINC000015774996 569454996 /nfs/dbraw/zinc/45/49/96/569454996.db2.gz WVMHLZXLWOFRGG-UHFFFAOYSA-N 1 0 433.512 2.672 50 0 IFAARO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)CC2)c1 ZINC000031234802 569455040 /nfs/dbraw/zinc/45/50/40/569455040.db2.gz DYFJBTJOEWPTLV-XMMPIXPASA-N 1 0 448.611 2.715 50 0 IFAARO O=C(CCNC(=O)c1ccc(Br)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000032017907 569458842 /nfs/dbraw/zinc/45/88/42/569458842.db2.gz VGIFNAFULDBPNX-UHFFFAOYSA-N 1 0 430.346 2.744 50 0 IFAARO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000229654207 569461081 /nfs/dbraw/zinc/46/10/81/569461081.db2.gz NWANDGFJGLFONL-MHORFTMASA-N 1 0 428.275 2.994 50 0 IFAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+]CCCN1CCOCC1)C[C@@H](C)CC2 ZINC000008709272 569470780 /nfs/dbraw/zinc/47/07/80/569470780.db2.gz LTTHSDCYRHEPRZ-JKSUJKDBSA-N 1 0 437.606 2.689 50 0 IFAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000008724371 569472011 /nfs/dbraw/zinc/47/20/11/569472011.db2.gz PKOCWSZDPQNWOM-JOCHJYFZSA-N 1 0 443.569 2.584 50 0 IFAARO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008852760 569479484 /nfs/dbraw/zinc/47/94/84/569479484.db2.gz OAKBJDXFRRTURX-HNNXBMFYSA-N 1 0 429.542 2.875 50 0 IFAARO Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CC[NH2+]CC2)C3=O)cc1Cl ZINC000039380670 569481514 /nfs/dbraw/zinc/48/15/14/569481514.db2.gz IPBDRBHWAYBXQQ-QFIPXVFZSA-N 1 0 442.972 2.791 50 0 IFAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)nc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000008897972 569484002 /nfs/dbraw/zinc/48/40/02/569484002.db2.gz SHRNCWQIHHQSPL-UHFFFAOYSA-N 1 0 431.949 2.536 50 0 IFAARO CC[NH+](CC)CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O ZINC000008933458 569487825 /nfs/dbraw/zinc/48/78/25/569487825.db2.gz YVUYEBLVFCWFEK-UHFFFAOYSA-N 1 0 449.530 2.997 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000040108516 569488530 /nfs/dbraw/zinc/48/85/30/569488530.db2.gz NXLLZXYJLGXTAX-BGYRXZFFSA-N 1 0 426.561 2.810 50 0 IFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c32)C1 ZINC000008968772 569491830 /nfs/dbraw/zinc/49/18/30/569491830.db2.gz FEEPHMIJCOVPOU-CQSZACIVSA-N 1 0 431.489 2.567 50 0 IFAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCn1nnc2ccccc2c1=O ZINC000040142755 569491907 /nfs/dbraw/zinc/49/19/07/569491907.db2.gz VILMOHKJCUXQEX-QFIPXVFZSA-N 1 0 433.556 2.771 50 0 IFAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040150044 569493099 /nfs/dbraw/zinc/49/30/99/569493099.db2.gz VKIXIZOGQGDBQR-FQEVSTJZSA-N 1 0 430.574 2.929 50 0 IFAARO C[NH+](C)CCn1nnnc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000040151914 569493349 /nfs/dbraw/zinc/49/33/49/569493349.db2.gz LOVCVCRHWYFSEB-UHFFFAOYSA-N 1 0 448.556 2.818 50 0 IFAARO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245281388 569502168 /nfs/dbraw/zinc/50/21/68/569502168.db2.gz YEMPDFJQTXLDKH-DENIHFKCSA-N 1 0 444.597 2.972 50 0 IFAARO Cc1c(C)n(-c2cc(C)cc(C)c2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000009124509 569504343 /nfs/dbraw/zinc/50/43/43/569504343.db2.gz LEOUKXIGQGDTHP-UHFFFAOYSA-N 1 0 448.571 2.858 50 0 IFAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+](CC)CC)cc21 ZINC000040450274 569506225 /nfs/dbraw/zinc/50/62/25/569506225.db2.gz OIFKZCRXZBHRLD-UHFFFAOYSA-N 1 0 446.411 2.758 50 0 IFAARO CC(C)[C@@H](CNC(=O)COc1cccc(S(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000070040830 569529440 /nfs/dbraw/zinc/52/94/40/569529440.db2.gz GJXSNTLWYOVUEP-JOCHJYFZSA-N 1 0 430.570 2.668 50 0 IFAARO CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1 ZINC000009440806 569535280 /nfs/dbraw/zinc/53/52/80/569535280.db2.gz IUVODXXFZALXOW-UHFFFAOYSA-N 1 0 443.997 2.954 50 0 IFAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009528441 569544698 /nfs/dbraw/zinc/54/46/98/569544698.db2.gz GNLQADVFUSAYGP-FQEVSTJZSA-N 1 0 435.615 2.616 50 0 IFAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)c(OC)c1 ZINC000009622084 569553480 /nfs/dbraw/zinc/55/34/80/569553480.db2.gz AANDNEMXDHGUFL-UHFFFAOYSA-N 1 0 429.517 2.889 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(CC[NH+](C)C)c2c1CCC2 ZINC000009745329 569565651 /nfs/dbraw/zinc/56/56/51/569565651.db2.gz XMWMHKKWGGCRRB-UHFFFAOYSA-N 1 0 436.965 2.686 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009835245 569570633 /nfs/dbraw/zinc/57/06/33/569570633.db2.gz ZMZPBVITCMGDLY-FQEVSTJZSA-N 1 0 431.558 2.634 50 0 IFAARO CC[NH+](CC)CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(Cl)cc1)c3=O ZINC000010233412 569579597 /nfs/dbraw/zinc/57/95/97/569579597.db2.gz QMERWUQOZTZFGA-UHFFFAOYSA-N 1 0 442.951 2.501 50 0 IFAARO CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000003670344 132267521 /nfs/dbraw/zinc/26/75/21/132267521.db2.gz CPTFDTFHAAMBKY-XMMPIXPASA-N 1 0 438.528 2.885 50 0 IFAARO O=C(CN1C(=O)CSc2ncccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008912880 132297793 /nfs/dbraw/zinc/29/77/93/132297793.db2.gz DNONHUBQPFVSAM-UHFFFAOYSA-N 1 0 438.597 2.981 50 0 IFAARO Cn1nc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2c1-c1ccccc1OC2 ZINC000009252143 132311140 /nfs/dbraw/zinc/31/11/40/132311140.db2.gz LCDLPBMVYYOJRX-UHFFFAOYSA-N 1 0 431.540 2.922 50 0 IFAARO CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(NCC)cc(C)[nH+]3)CC2)cc1 ZINC000009620846 132323797 /nfs/dbraw/zinc/32/37/97/132323797.db2.gz UOBJOLZVLHLVCN-UHFFFAOYSA-N 1 0 433.578 2.907 50 0 IFAARO O=C([C@H]1CCOC1)N1CCOc2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011791212 132340031 /nfs/dbraw/zinc/34/00/31/132340031.db2.gz YNXVNGPHRKKLIP-FQEVSTJZSA-N 1 0 439.531 2.905 50 0 IFAARO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[NH2+]CC4)cn3)nc2n1C1CCCC1 ZINC000072316335 504072862 /nfs/dbraw/zinc/07/28/62/504072862.db2.gz RHXHGRAEPCAFML-UHFFFAOYSA-N 1 0 434.548 2.796 50 0 fda IFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566961 518706490 /nfs/dbraw/zinc/70/64/90/518706490.db2.gz AQBCUPGBFSNXOC-KKPNIWNPSA-N 1 0 442.519 2.930 50 0 IFAARO CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000022134701 519635464 /nfs/dbraw/zinc/63/54/64/519635464.db2.gz HZDSOODEEOWNPH-UHFFFAOYSA-N 1 0 433.549 2.569 50 0 IFAARO CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1=O ZINC000012192908 519662802 /nfs/dbraw/zinc/66/28/02/519662802.db2.gz IUOVEBZPIUZRJP-SFHVURJKSA-N 1 0 430.593 2.811 50 0 IFAARO CC(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21c2ccccc2N(C)C1=O ZINC000036034342 519667720 /nfs/dbraw/zinc/66/77/20/519667720.db2.gz LEKAGIYBNROEHO-GGISIDAXSA-N 1 0 442.519 2.564 50 0 IFAARO CC(C)[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000012925681 519670236 /nfs/dbraw/zinc/67/02/36/519670236.db2.gz RDJXKNQQHQIRFT-UHFFFAOYSA-N 1 0 445.988 2.869 50 0 IFAARO CC(=O)Nc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CCN(C)CC2)c1 ZINC000012219047 519703775 /nfs/dbraw/zinc/70/37/75/519703775.db2.gz VREJSRJTGVXURC-QGZVFWFLSA-N 1 0 426.536 2.893 50 0 IFAARO CC(C)NC(=O)CN1CC[NH+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)CC1 ZINC000020598764 519707258 /nfs/dbraw/zinc/70/72/58/519707258.db2.gz HPYMTGPAPPZDHE-DEOSSOPVSA-N 1 0 436.600 2.863 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991124 520515534 /nfs/dbraw/zinc/51/55/34/520515534.db2.gz SHOGXOKTVAHWTE-OAQYLSRUSA-N 1 0 428.577 2.745 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000035459337 520684710 /nfs/dbraw/zinc/68/47/10/520684710.db2.gz MLCOLPJUDLETCQ-HSZRJFAPSA-N 1 0 448.567 2.910 50 0 IFAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000012791938 520751294 /nfs/dbraw/zinc/75/12/94/520751294.db2.gz ZFDSJAFFLXWLDG-UHFFFAOYSA-N 1 0 433.936 2.985 50 0 IFAARO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCC(=O)N1CCCCC1 ZINC000012520565 520776520 /nfs/dbraw/zinc/77/65/20/520776520.db2.gz SFGIOOYSTWYZJN-JOCHJYFZSA-N 1 0 448.527 2.923 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)n2C)c1 ZINC000035561081 520814305 /nfs/dbraw/zinc/81/43/05/520814305.db2.gz CFPHYWPMLSVLAG-QGZVFWFLSA-N 1 0 434.606 2.813 50 0 IFAARO CCOC(=O)N1CCC([NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccncc3)CC2)CC1 ZINC000012242764 520923172 /nfs/dbraw/zinc/92/31/72/520923172.db2.gz JRBBJZSLVVKTFO-NRFANRHFSA-N 1 0 428.577 2.853 50 0 IFAARO CC1CC[NH+](CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000020557066 521011067 /nfs/dbraw/zinc/01/10/67/521011067.db2.gz OQXVCXXVEFGZKG-UHFFFAOYSA-N 1 0 439.608 2.617 50 0 IFAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3nc(COc4ccccc4)no3)CC2)C1 ZINC000012432418 521296603 /nfs/dbraw/zinc/29/66/03/521296603.db2.gz BXFVTMLEAUOOBB-SFHVURJKSA-N 1 0 428.533 2.888 50 0 IFAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 ZINC000012799253 521578572 /nfs/dbraw/zinc/57/85/72/521578572.db2.gz WLVHOQQHXXLBKN-UHFFFAOYSA-N 1 0 431.558 2.734 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000012692896 521637612 /nfs/dbraw/zinc/63/76/12/521637612.db2.gz UVZXHNJLGGEJKM-GOSISDBHSA-N 1 0 443.569 2.661 50 0 IFAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026836 521645591 /nfs/dbraw/zinc/64/55/91/521645591.db2.gz GSJJBGHWXIIDPF-KRWDZBQOSA-N 1 0 436.626 2.510 50 0 IFAARO CC[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)nn2)CC1 ZINC000033261540 521698297 /nfs/dbraw/zinc/69/82/97/521698297.db2.gz NGVKZOUNQQIESQ-LJQANCHMSA-N 1 0 442.995 2.805 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCC3)CC2)c1C ZINC000035425987 521749445 /nfs/dbraw/zinc/74/94/45/521749445.db2.gz ZWFTWAGCCOOJLH-UHFFFAOYSA-N 1 0 446.592 2.653 50 0 IFAARO CNC(=O)c1cn(CCC(C)C)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000012281066 521926901 /nfs/dbraw/zinc/92/69/01/521926901.db2.gz WQRAGOMTMCGOQH-UHFFFAOYSA-N 1 0 438.572 2.648 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000012785963 521982619 /nfs/dbraw/zinc/98/26/19/521982619.db2.gz MRZUCXOEJAXNNB-UHFFFAOYSA-N 1 0 425.570 2.995 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000012922776 522071256 /nfs/dbraw/zinc/07/12/56/522071256.db2.gz AMPYGDDROPIKRH-QFIPXVFZSA-N 1 0 443.613 2.693 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21)c1cccs1 ZINC000012560125 522079179 /nfs/dbraw/zinc/07/91/79/522079179.db2.gz HWXGTLGDHSHWCB-QGZVFWFLSA-N 1 0 434.525 2.589 50 0 IFAARO COC(=O)c1ccc2c(c1)[nH]c(=O)n(C[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c2=O ZINC000024939748 522182594 /nfs/dbraw/zinc/18/25/94/522182594.db2.gz IVDJRYFRYKOPCI-NRFANRHFSA-N 1 0 437.496 2.712 50 0 IFAARO CCc1nn(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000020862564 522701243 /nfs/dbraw/zinc/70/12/43/522701243.db2.gz VUDJGDDUSGRZKI-HZPDHXFCSA-N 1 0 429.590 2.757 50 0 IFAARO CCc1nn(CCCC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(=O)c2cc3oc(C)cc3n21 ZINC000020862500 522705130 /nfs/dbraw/zinc/70/51/30/522705130.db2.gz XGWJXTZTUDAMFA-MRXNPFEDSA-N 1 0 427.549 2.884 50 0 IFAARO COCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920865 522972445 /nfs/dbraw/zinc/97/24/45/522972445.db2.gz ZZJXUSLUSHXXLZ-FQEVSTJZSA-N 1 0 427.545 2.937 50 0 IFAARO CCn1c2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc2[nH]c(=O)c1=O ZINC000022680786 523261050 /nfs/dbraw/zinc/26/10/50/523261050.db2.gz HXVXHWHCLZXELO-LJQANCHMSA-N 1 0 440.569 2.974 50 0 IFAARO CCn1c2ccccc2nc(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1=O ZINC000035401270 523283198 /nfs/dbraw/zinc/28/31/98/523283198.db2.gz FTNVLQFUTYCXAV-LJQANCHMSA-N 1 0 439.604 2.871 50 0 IFAARO CCn1cc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cn1 ZINC000012612742 523368765 /nfs/dbraw/zinc/36/87/65/523368765.db2.gz DNKXDWOTCGLAJN-UHFFFAOYSA-N 1 0 433.984 2.891 50 0 IFAARO COc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012588410 523689334 /nfs/dbraw/zinc/68/93/34/523689334.db2.gz HXMLKLNKBDTMQQ-UHFFFAOYSA-N 1 0 433.593 2.787 50 0 IFAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000022759631 523708298 /nfs/dbraw/zinc/70/82/98/523708298.db2.gz SRPZHVQRPOPRLV-MRXNPFEDSA-N 1 0 437.587 2.574 50 0 IFAARO COC(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000012165182 523789053 /nfs/dbraw/zinc/78/90/53/523789053.db2.gz YGWNFEFTYGHYKR-FPOVZHCZSA-N 1 0 441.597 2.801 50 0 IFAARO CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)C(C)C)cc1 ZINC000012875021 523988360 /nfs/dbraw/zinc/98/83/60/523988360.db2.gz TXCSUEWEIAHOCD-VXKWHMMOSA-N 1 0 444.620 2.940 50 0 IFAARO COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012588140 524007711 /nfs/dbraw/zinc/00/77/11/524007711.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 1 0 440.544 2.890 50 0 IFAARO CN(C(=O)C[NH+](C)C)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccn2)CC1 ZINC000012453693 524041517 /nfs/dbraw/zinc/04/15/17/524041517.db2.gz LKDRIWSWKRNIFZ-BYUVYSIJSA-N 1 0 434.584 2.965 50 0 IFAARO C[NH+](C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2c(cc(F)cc2F)s1 ZINC000012140835 524059036 /nfs/dbraw/zinc/05/90/36/524059036.db2.gz IYJINJJJRDDTSA-UHFFFAOYSA-N 1 0 444.463 2.765 50 0 IFAARO C[C@@H](C(=O)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1)n1cnc2ccccc21 ZINC000012435387 524100297 /nfs/dbraw/zinc/10/02/97/524100297.db2.gz JJIQXDNVYIRZIW-IBGZPJMESA-N 1 0 437.588 2.923 50 0 IFAARO Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000012274207 524148321 /nfs/dbraw/zinc/14/83/21/524148321.db2.gz RBXHWXTXPSWMMA-KRWDZBQOSA-N 1 0 437.573 2.842 50 0 IFAARO C[C@@H](C1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)CC1)[NH+]1CCCC1 ZINC000012444371 524336522 /nfs/dbraw/zinc/33/65/22/524336522.db2.gz LKIPHKGVNFCSBI-IBGZPJMESA-N 1 0 425.577 2.503 50 0 IFAARO C[C@@H](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)[NH+]1CCCC1 ZINC000035423435 524496849 /nfs/dbraw/zinc/49/68/49/524496849.db2.gz IPDNBQSZJDUUDU-KRWDZBQOSA-N 1 0 433.512 2.895 50 0 IFAARO CC(=O)N1CCOc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)cc21 ZINC000009439850 534802095 /nfs/dbraw/zinc/80/20/95/534802095.db2.gz HVLMKVFEBRBYPC-UHFFFAOYSA-N 1 0 443.569 2.683 50 0 IFAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@@H+]2CCCN(C=O)CC2)C4)cc1 ZINC000012510406 524775682 /nfs/dbraw/zinc/77/56/82/524775682.db2.gz ZRKCPQQDOWEMJQ-LJQANCHMSA-N 1 0 436.581 2.836 50 0 IFAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCc2cccnc2)C[C@H](C)O1 ZINC000020514349 524885768 /nfs/dbraw/zinc/88/57/68/524885768.db2.gz QFNHHAPPWFLGIF-IYBDPMFKSA-N 1 0 427.936 2.964 50 0 IFAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCN2CCCCC2)C[C@H](C)O1 ZINC000020992372 524886599 /nfs/dbraw/zinc/88/65/99/524886599.db2.gz UGZPJKCKMUKMQD-CALCHBBNSA-N 1 0 433.984 2.813 50 0 IFAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000022766329 525108964 /nfs/dbraw/zinc/10/89/64/525108964.db2.gz CPAZGKLGQUHPGE-NRFANRHFSA-N 1 0 437.569 2.648 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795556 525179916 /nfs/dbraw/zinc/17/99/16/525179916.db2.gz MHXZYTYSSCZMKQ-HXUWFJFHSA-N 1 0 448.926 2.531 50 0 IFAARO C[C@H](NC(=O)c1ccc(N2CCC([NH+]3CCN(CCO)CC3)CC2)cc1)c1ccccc1 ZINC000020599623 525216228 /nfs/dbraw/zinc/21/62/28/525216228.db2.gz WSYXJRSOBBRYGS-NRFANRHFSA-N 1 0 436.600 2.756 50 0 IFAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CC[NH+](C)CC2)cc1 ZINC000022795611 525353889 /nfs/dbraw/zinc/35/38/89/525353889.db2.gz GQHSCVDSTBNXDM-NRFANRHFSA-N 1 0 444.963 2.700 50 0 IFAARO Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000035422159 525410068 /nfs/dbraw/zinc/41/00/68/525410068.db2.gz NYUJEGOJIJAGTJ-IBGZPJMESA-N 1 0 446.592 2.651 50 0 IFAARO Cc1ccc(OCCN(C)Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)cc1 ZINC000020540386 525418996 /nfs/dbraw/zinc/41/89/96/525418996.db2.gz FNNLLWMSOWKQTD-UHFFFAOYSA-N 1 0 441.601 2.993 50 0 IFAARO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020519197 525596717 /nfs/dbraw/zinc/59/67/17/525596717.db2.gz TYLRUVIEZBZHEU-YUWJWYLASA-N 1 0 433.961 2.756 50 0 IFAARO COc1cccc(-c2cc(C(=O)N(CCC(=O)NCC[NH+](C)C)Cc3ccco3)no2)c1 ZINC000036002445 525700627 /nfs/dbraw/zinc/70/06/27/525700627.db2.gz HCKJUQRFNMPXSB-UHFFFAOYSA-N 1 0 440.500 2.654 50 0 IFAARO COc1cccc(CC[NH2+][C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 ZINC000014752178 525903107 /nfs/dbraw/zinc/90/31/07/525903107.db2.gz UGZQLSCNWWXCAS-FQEVSTJZSA-N 1 0 440.588 2.710 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCC[NH+]1CCCCCC1)nc2C ZINC000020563107 525936424 /nfs/dbraw/zinc/93/64/24/525936424.db2.gz PDVPJZHCJLJJTM-UHFFFAOYSA-N 1 0 436.560 2.581 50 0 IFAARO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCC[NH+]1CCCCC1 ZINC000035459790 526367903 /nfs/dbraw/zinc/36/79/03/526367903.db2.gz WBKTWQYPIDOOBE-UHFFFAOYSA-N 1 0 434.027 2.794 50 0 IFAARO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447915 526595018 /nfs/dbraw/zinc/59/50/18/526595018.db2.gz JOBFKXSJSIURPS-LJQANCHMSA-N 1 0 436.556 2.917 50 0 IFAARO O=C(CCn1c(=O)c2cccn2c2cccnc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000020512772 526667206 /nfs/dbraw/zinc/66/72/06/526667206.db2.gz LEDGLBWCNSOSIW-UHFFFAOYSA-N 1 0 429.524 2.604 50 0 IFAARO O=C(c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1)N1CCC[C@H](O)C1 ZINC000012244991 526697524 /nfs/dbraw/zinc/69/75/24/526697524.db2.gz AFYKKDZGUYPEFE-QFIPXVFZSA-N 1 0 437.540 2.771 50 0 IFAARO O=C(c1ccc(N2CCC([NH2+]CCc3cn4ccccc4n3)CC2)cc1)N1CCOCC1 ZINC000012151128 526698088 /nfs/dbraw/zinc/69/80/88/526698088.db2.gz IEERBQURCNXGDF-UHFFFAOYSA-N 1 0 433.556 2.608 50 0 IFAARO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1)Nc1ccc(F)cc1 ZINC000035278994 526761674 /nfs/dbraw/zinc/76/16/74/526761674.db2.gz HYLLAVXULLTION-LJQANCHMSA-N 1 0 430.549 2.807 50 0 IFAARO O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023873191 526857274 /nfs/dbraw/zinc/85/72/74/526857274.db2.gz DYVHGVUDQDWYNH-UHFFFAOYSA-N 1 0 431.492 2.643 50 0 IFAARO O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCC1([NH+]2CCCCC2)CCCC1 ZINC000012199033 527100244 /nfs/dbraw/zinc/10/02/44/527100244.db2.gz KIACVOJRTQHUSQ-HXUWFJFHSA-N 1 0 448.558 2.570 50 0 IFAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000020450887 527100851 /nfs/dbraw/zinc/10/08/51/527100851.db2.gz MGSRIGOSJQOCCF-XMMPIXPASA-N 1 0 434.584 2.617 50 0 IFAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000012705549 527151559 /nfs/dbraw/zinc/15/15/59/527151559.db2.gz LOIHMLWXMWLAST-VWLOTQADSA-N 1 0 446.595 2.598 50 0 IFAARO Cc1nccn1CCC[NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000012434389 527420519 /nfs/dbraw/zinc/42/05/19/527420519.db2.gz NMYQWHTXORGRGE-IYBDPMFKSA-N 1 0 444.967 2.922 50 0 IFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000040744384 527580702 /nfs/dbraw/zinc/58/07/02/527580702.db2.gz NAVSXPZVEUASOC-UHFFFAOYSA-N 1 0 440.685 2.847 50 0 IFAARO COc1ccc(CN2CCn3nc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc3C2=O)cc1 ZINC000034811528 555909174 /nfs/dbraw/zinc/90/91/74/555909174.db2.gz HCLAURJDSOUOKS-GOSISDBHSA-N 1 0 439.560 2.542 50 0 IFAARO CC[NH+]1CCN(c2c(CN(C(=O)COC)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835633 555913819 /nfs/dbraw/zinc/91/38/19/555913819.db2.gz BQTUZTVWPKLDIF-UHFFFAOYSA-N 1 0 429.540 2.599 50 0 IFAARO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062516 556244170 /nfs/dbraw/zinc/24/41/70/556244170.db2.gz ONDIIDDHMSRBMS-UHFFFAOYSA-N 1 0 427.570 2.738 50 0 IFAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013711797 556284460 /nfs/dbraw/zinc/28/44/60/556284460.db2.gz AOOASYRDZJCKBR-OKILXGFUSA-N 1 0 433.505 2.800 50 0 IFAARO CC(C)OCCC[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013722007 556290539 /nfs/dbraw/zinc/29/05/39/556290539.db2.gz DMFIOQQEUAUBQI-HSZRJFAPSA-N 1 0 427.545 2.894 50 0 IFAARO CC(C)OCCC[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013722009 556290601 /nfs/dbraw/zinc/29/06/01/556290601.db2.gz DMFIOQQEUAUBQI-QHCPKHFHSA-N 1 0 427.545 2.894 50 0 IFAARO CCOC(=O)c1sc(NC(=O)CSc2nc(N)cc(N)[nH+]2)nc1-c1ccccc1 ZINC000010060487 556324649 /nfs/dbraw/zinc/32/46/49/556324649.db2.gz ZPDGROXBTHVDMR-UHFFFAOYSA-N 1 0 430.515 2.672 50 0 IFAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)cc1 ZINC000011782823 556351294 /nfs/dbraw/zinc/35/12/94/556351294.db2.gz PEOBRYCMRMMGBF-WOJBJXKFSA-N 1 0 428.529 2.614 50 0 IFAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011868017 556368613 /nfs/dbraw/zinc/36/86/13/556368613.db2.gz QPOFPGYRKAJJGI-GOSISDBHSA-N 1 0 447.539 2.875 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccc(OC)c2OC)CC3)CC1 ZINC000011881963 556373310 /nfs/dbraw/zinc/37/33/10/556373310.db2.gz BGVQBVOUOYPWCF-IBGZPJMESA-N 1 0 445.560 2.607 50 0 IFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000011908909 556374358 /nfs/dbraw/zinc/37/43/58/556374358.db2.gz WGWIJXFYTCHYLD-YRNVUSSQSA-N 1 0 431.540 2.717 50 0 IFAARO COCc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2cccs2)n1 ZINC000011909100 556374366 /nfs/dbraw/zinc/37/43/66/556374366.db2.gz OYSDEAUQAHZVQR-UHFFFAOYSA-N 1 0 428.562 2.855 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CCn2cncn2)CC1 ZINC000011945153 556379957 /nfs/dbraw/zinc/37/99/57/556379957.db2.gz WYOASAYYPGKFRW-QHCPKHFHSA-N 1 0 425.577 2.896 50 0 IFAARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)N(Cc3cc(F)ccc3F)C2)n1 ZINC000012051949 556392880 /nfs/dbraw/zinc/39/28/80/556392880.db2.gz ZPYFBJFDOGBLQO-QUCCMNQESA-N 1 0 449.571 2.785 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)CC1 ZINC000032579069 556406092 /nfs/dbraw/zinc/40/60/92/556406092.db2.gz YGVBWCBQWNDHLJ-UHFFFAOYSA-N 1 0 449.555 2.845 50 0 IFAARO CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000014249962 556408345 /nfs/dbraw/zinc/40/83/45/556408345.db2.gz QFOPDXTYZVMDJT-HXUWFJFHSA-N 1 0 431.558 2.949 50 0 IFAARO COc1ccccc1C[NH2+][C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014536535 556423734 /nfs/dbraw/zinc/42/37/34/556423734.db2.gz GOOVECYYJXLHJB-LJQANCHMSA-N 1 0 426.561 2.667 50 0 IFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000014537303 556423996 /nfs/dbraw/zinc/42/39/96/556423996.db2.gz PUIZHNGKSGONQQ-UHFFFAOYSA-N 1 0 438.528 2.536 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014540910 556425508 /nfs/dbraw/zinc/42/55/08/556425508.db2.gz SEIHIDPLBVSABU-UHFFFAOYSA-N 1 0 439.560 2.564 50 0 IFAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@@H](C)CO)CC2 ZINC000014743166 556439732 /nfs/dbraw/zinc/43/97/32/556439732.db2.gz ACLSXJQSGCZNGT-IBGZPJMESA-N 1 0 439.556 2.856 50 0 IFAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014747998 556442409 /nfs/dbraw/zinc/44/24/09/556442409.db2.gz NOAWMGKGJMBTEI-UHFFFAOYSA-N 1 0 434.540 2.766 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3)CC2)c(C)c1 ZINC000013031456 556442456 /nfs/dbraw/zinc/44/24/56/556442456.db2.gz ONEUGIPYIOJFLY-SFHVURJKSA-N 1 0 433.549 2.626 50 0 IFAARO COC(=O)CC[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C ZINC000014751914 556443676 /nfs/dbraw/zinc/44/36/76/556443676.db2.gz NVAGORCYIPGTEO-UHFFFAOYSA-N 1 0 431.533 2.513 50 0 IFAARO COc1ccc(OC)c2c1CN(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C[C@H]2O ZINC000032862695 556447857 /nfs/dbraw/zinc/44/78/57/556447857.db2.gz AQQUMMDCDSLRRS-HXUWFJFHSA-N 1 0 425.529 2.927 50 0 IFAARO CN(CCO)C(=O)c1cn(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nn1 ZINC000014880767 556453455 /nfs/dbraw/zinc/45/34/55/556453455.db2.gz GCCIUFQLNHKDFR-UHFFFAOYSA-N 1 0 435.528 2.972 50 0 IFAARO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)c2cscn2)CC1 ZINC000072280907 556462279 /nfs/dbraw/zinc/46/22/79/556462279.db2.gz XMBKHKJSACLZIN-UHFFFAOYSA-N 1 0 441.370 2.935 50 0 IFAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000014966056 556465839 /nfs/dbraw/zinc/46/58/39/556465839.db2.gz VCWNFTDKGCMVMI-OAQYLSRUSA-N 1 0 434.964 2.753 50 0 IFAARO COc1cc(C[N@@H+]2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC ZINC000014981225 556470774 /nfs/dbraw/zinc/47/07/74/556470774.db2.gz HPPSKAPZUCMKOR-GOSISDBHSA-N 1 0 443.548 2.641 50 0 IFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000014985625 556472306 /nfs/dbraw/zinc/47/23/06/556472306.db2.gz GMXQRPLBINJBKE-KRWDZBQOSA-N 1 0 442.560 2.576 50 0 IFAARO CCn1c(C[NH2+][C@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000013141432 556486511 /nfs/dbraw/zinc/48/65/11/556486511.db2.gz VKNXGTGMRRYNCE-QGZVFWFLSA-N 1 0 428.558 2.928 50 0 IFAARO Cc1cc(C)nc(N2CCC(C[NH2+][C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)n1 ZINC000015023284 556488430 /nfs/dbraw/zinc/48/84/30/556488430.db2.gz JLZRDTKVEDGDDK-LJQANCHMSA-N 1 0 427.936 2.885 50 0 IFAARO CCOC(=O)N1CCC(N2C(=O)CC[C@H]2CC[NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000015072612 556496932 /nfs/dbraw/zinc/49/69/32/556496932.db2.gz IRTPUQADVICOIQ-IBGZPJMESA-N 1 0 431.533 2.565 50 0 IFAARO CC(C)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032590346 556541937 /nfs/dbraw/zinc/54/19/37/556541937.db2.gz CBSDAEWCUVJIFS-RTWAWAEBSA-N 1 0 427.520 2.854 50 0 IFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000015671206 556542168 /nfs/dbraw/zinc/54/21/68/556542168.db2.gz ABODGXRJYFSGFX-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO CC(C)CC[NH+](CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O ZINC000001203007 556574367 /nfs/dbraw/zinc/57/43/67/556574367.db2.gz KGIMCQRDPOIOEI-UHFFFAOYSA-N 1 0 433.508 2.927 50 0 IFAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021946 556575452 /nfs/dbraw/zinc/57/54/52/556575452.db2.gz UZPHEAGMUZZUDX-YBJWPOLQSA-N 1 0 437.927 2.959 50 0 IFAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)c(F)c3)cc2)CC1 ZINC000072310372 556576025 /nfs/dbraw/zinc/57/60/25/556576025.db2.gz DMHFKGVPFYQCQT-UHFFFAOYSA-N 1 0 434.537 2.503 50 0 IFAARO Cc1ccc(C[NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000033757755 556630633 /nfs/dbraw/zinc/63/06/33/556630633.db2.gz RLYOSAVUKBKZAL-UHFFFAOYSA-N 1 0 437.565 2.771 50 0 IFAARO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000097938325 556634262 /nfs/dbraw/zinc/63/42/62/556634262.db2.gz QZMJCAOIOSBNGV-UHFFFAOYSA-N 1 0 436.556 2.886 50 0 IFAARO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000032935835 556678416 /nfs/dbraw/zinc/67/84/16/556678416.db2.gz BRFNJEXNTPNPBP-NRFANRHFSA-N 1 0 429.586 2.798 50 0 IFAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000225575859 556681592 /nfs/dbraw/zinc/68/15/92/556681592.db2.gz NNLPDYJCGQAQFJ-HNNXBMFYSA-N 1 0 431.480 2.857 50 0 IFAARO O=C(CCN(CCc1ccccc1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045966658 556688750 /nfs/dbraw/zinc/68/87/50/556688750.db2.gz PYQWIYZOTPPKHE-UHFFFAOYSA-N 1 0 444.373 2.956 50 0 IFAARO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000045966730 556688835 /nfs/dbraw/zinc/68/88/35/556688835.db2.gz FWJBRDWVNKAZKQ-LJQANCHMSA-N 1 0 436.556 2.713 50 0 IFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](O)c1ccccc1 ZINC000065491275 556694740 /nfs/dbraw/zinc/69/47/40/556694740.db2.gz SRMYXPRXYVKNIU-JLTOFOAXSA-N 1 0 432.908 2.704 50 0 IFAARO COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033032142 556712170 /nfs/dbraw/zinc/71/21/70/556712170.db2.gz WNDBLGDOTHKCGD-HNNXBMFYSA-N 1 0 431.562 2.931 50 0 IFAARO COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033032143 556712239 /nfs/dbraw/zinc/71/22/39/556712239.db2.gz WNDBLGDOTHKCGD-OAHLLOKOSA-N 1 0 431.562 2.931 50 0 IFAARO COc1ccccc1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000033032377 556712790 /nfs/dbraw/zinc/71/27/90/556712790.db2.gz VRKLYMZMXGKARN-UHFFFAOYSA-N 1 0 446.345 2.532 50 0 IFAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCC1 ZINC000033033083 556713228 /nfs/dbraw/zinc/71/32/28/556713228.db2.gz WGZOBZONGXXBLP-UHFFFAOYSA-N 1 0 448.976 2.786 50 0 IFAARO CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033381 556714126 /nfs/dbraw/zinc/71/41/26/556714126.db2.gz KDCWSBCEGSAKDL-UHFFFAOYSA-N 1 0 430.574 2.722 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033782 556714571 /nfs/dbraw/zinc/71/45/71/556714571.db2.gz WKPDPQRDYUDVGE-UHFFFAOYSA-N 1 0 430.574 2.652 50 0 IFAARO Cc1cccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033034286 556716405 /nfs/dbraw/zinc/71/64/05/556716405.db2.gz SLEGKJBJNNWNAL-UHFFFAOYSA-N 1 0 442.585 2.878 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033034327 556716418 /nfs/dbraw/zinc/71/64/18/556716418.db2.gz DFTVDPQBKCTAIV-UHFFFAOYSA-N 1 0 444.601 2.900 50 0 IFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)C1 ZINC000019226958 556717117 /nfs/dbraw/zinc/71/71/17/556717117.db2.gz NUQUDRQCOYTOHF-NRFANRHFSA-N 1 0 425.577 2.549 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)[NH+]2CCCC2)cc1 ZINC000061719472 556726373 /nfs/dbraw/zinc/72/63/73/556726373.db2.gz MIYPIQCENXNIPP-OAQYLSRUSA-N 1 0 449.511 2.945 50 0 IFAARO COCCCNC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000019300918 556735326 /nfs/dbraw/zinc/73/53/26/556735326.db2.gz AAAXXJKQGHIKJH-UHFFFAOYSA-N 1 0 429.536 2.772 50 0 IFAARO COC(=O)c1sccc1NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048280 556744401 /nfs/dbraw/zinc/74/44/01/556744401.db2.gz FIFRJNUYDVOSSI-UHFFFAOYSA-N 1 0 431.543 2.852 50 0 IFAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)NCc2ccccc2)c2c1CCCC2 ZINC000005254362 556747392 /nfs/dbraw/zinc/74/73/92/556747392.db2.gz IDOAJFCQXLXREE-UHFFFAOYSA-N 1 0 428.602 2.872 50 0 IFAARO CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000058018936 556754420 /nfs/dbraw/zinc/75/44/20/556754420.db2.gz XENVJRQVJDYRFF-OAQYLSRUSA-N 1 0 426.586 2.829 50 0 IFAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C(=O)OC)c(=O)c2C1 ZINC000062007128 556765397 /nfs/dbraw/zinc/76/53/97/556765397.db2.gz KHTGVIJQYHBWBR-UHFFFAOYSA-N 1 0 446.507 2.714 50 0 IFAARO O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058167927 556766998 /nfs/dbraw/zinc/76/69/98/556766998.db2.gz OOFROAOSUPSVCJ-NFBKMPQASA-N 1 0 433.556 2.635 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000058377676 556783711 /nfs/dbraw/zinc/78/37/11/556783711.db2.gz IMMWMISTYZLZMZ-IBGZPJMESA-N 1 0 430.549 2.692 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC000058776131 556791936 /nfs/dbraw/zinc/79/19/36/556791936.db2.gz CCQHXWVAFZIXCO-JOCHJYFZSA-N 1 0 436.600 2.836 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033061862 556817442 /nfs/dbraw/zinc/81/74/42/556817442.db2.gz FFSXKZVTYRXCDU-OAHLLOKOSA-N 1 0 431.562 2.722 50 0 IFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000065363805 556835115 /nfs/dbraw/zinc/83/51/15/556835115.db2.gz PBURAFHDBVXAKZ-UHFFFAOYSA-N 1 0 434.903 2.768 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364580 556835662 /nfs/dbraw/zinc/83/56/62/556835662.db2.gz RROYBTDKRFIRAY-UHFFFAOYSA-N 1 0 429.590 2.903 50 0 IFAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000019640897 556837287 /nfs/dbraw/zinc/83/72/87/556837287.db2.gz YMCIOPDRYKJDTB-UHFFFAOYSA-N 1 0 444.526 2.522 50 0 IFAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCN1CCC[C@@H](O)C1)N1CCCCCCC1 ZINC000019744421 556890824 /nfs/dbraw/zinc/89/08/24/556890824.db2.gz ZQAMWYQFSVQPLQ-LJQANCHMSA-N 1 0 448.011 2.940 50 0 IFAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000019744580 556891084 /nfs/dbraw/zinc/89/10/84/556891084.db2.gz PWYZJJCECPWGCY-UHFFFAOYSA-N 1 0 435.547 2.994 50 0 IFAARO CSc1cccc(NC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1 ZINC000072139278 556899001 /nfs/dbraw/zinc/89/90/01/556899001.db2.gz IMBKWYVXTAJUQD-UHFFFAOYSA-N 1 0 428.562 2.698 50 0 IFAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](CCO)CC2)cc1 ZINC000023086423 556997314 /nfs/dbraw/zinc/99/73/14/556997314.db2.gz PIMABWDQPYUYNV-AREMUKBSSA-N 1 0 447.579 2.918 50 0 IFAARO CCN(CC[NH+](CC)CC)Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC ZINC000020203453 556998044 /nfs/dbraw/zinc/99/80/44/556998044.db2.gz BZDQDTGDFWDOHJ-UHFFFAOYSA-N 1 0 428.643 2.800 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000023133140 557016794 /nfs/dbraw/zinc/01/67/94/557016794.db2.gz KSLLVJCLALXDNC-SFHVURJKSA-N 1 0 448.614 2.766 50 0 IFAARO Cc1ccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000022921281 557047333 /nfs/dbraw/zinc/04/73/33/557047333.db2.gz SMZZALTWBJHHHP-UHFFFAOYSA-N 1 0 436.600 2.861 50 0 IFAARO CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCC2)cc1 ZINC000017306564 557052385 /nfs/dbraw/zinc/05/23/85/557052385.db2.gz IBRXVNGFNQBTMQ-UHFFFAOYSA-N 1 0 427.501 2.658 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)c1 ZINC000033275415 557054498 /nfs/dbraw/zinc/05/44/98/557054498.db2.gz GVFKFJGVHIJLKV-UHFFFAOYSA-N 1 0 444.601 2.900 50 0 IFAARO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000048326169 557066634 /nfs/dbraw/zinc/06/66/34/557066634.db2.gz AHYXLHOPRKNWDN-QFIPXVFZSA-N 1 0 427.570 2.535 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000048374509 557075489 /nfs/dbraw/zinc/07/54/89/557075489.db2.gz CRVMOPGTTQQIBU-UHFFFAOYSA-N 1 0 444.601 2.873 50 0 IFAARO COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCCC2)cc1N1CCCCC1=O ZINC000048368962 557076049 /nfs/dbraw/zinc/07/60/49/557076049.db2.gz ANPHFLYVOKNECW-YLJYHZDGSA-N 1 0 430.549 2.835 50 0 IFAARO Cc1nc2c(c(=O)n1CC(=O)NCCCc1ccccc1)C[N@H+](Cc1ccccc1)CC2 ZINC000049400815 557096285 /nfs/dbraw/zinc/09/62/85/557096285.db2.gz CHDGSSMYCIOPEE-UHFFFAOYSA-N 1 0 430.552 2.859 50 0 IFAARO COc1cccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000049400877 557096725 /nfs/dbraw/zinc/09/67/25/557096725.db2.gz MSYRLAWLHGAMMW-SFHVURJKSA-N 1 0 446.551 2.996 50 0 IFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000409413039 557109422 /nfs/dbraw/zinc/10/94/22/557109422.db2.gz AHHVMYRUENLJJI-NQIIRXRSSA-N 1 0 428.581 2.780 50 0 IFAARO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331985 557204959 /nfs/dbraw/zinc/20/49/59/557204959.db2.gz CNSGACNUNGLQJM-AWEZNQCLSA-N 1 0 426.468 2.783 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C(C)C)c1 ZINC000027676168 557271192 /nfs/dbraw/zinc/27/11/92/557271192.db2.gz FUTDVGCLRMYCNB-AZUAARDMSA-N 1 0 433.574 2.939 50 0 IFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761333 557315340 /nfs/dbraw/zinc/31/53/40/557315340.db2.gz IJWMSYXUGFWSMN-AEFFLSMTSA-N 1 0 441.553 2.826 50 0 IFAARO Cc1nc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(Br)n1C ZINC000328594321 557338635 /nfs/dbraw/zinc/33/86/35/557338635.db2.gz ATTBAWADBBEKSD-UHFFFAOYSA-N 1 0 427.368 2.781 50 0 IFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000024023227 557391526 /nfs/dbraw/zinc/39/15/26/557391526.db2.gz QMJNHJMISFCPKC-UHFFFAOYSA-N 1 0 448.493 2.518 50 0 IFAARO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1 ZINC000012069453 557526140 /nfs/dbraw/zinc/52/61/40/557526140.db2.gz CZNIWHRDAJJGRG-UHFFFAOYSA-N 1 0 431.540 2.810 50 0 IFAARO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000106914004 557533542 /nfs/dbraw/zinc/53/35/42/557533542.db2.gz MDQAGVIRVRKKJF-XQQFMLRXSA-N 1 0 436.405 2.998 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)c1 ZINC000045944593 557553196 /nfs/dbraw/zinc/55/31/96/557553196.db2.gz BOLMKRZRPYHGHH-NRFANRHFSA-N 1 0 443.613 2.920 50 0 IFAARO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCCC1)C(=O)CS2 ZINC000045960930 557555120 /nfs/dbraw/zinc/55/51/20/557555120.db2.gz OKHQOOYHEZPCFS-UHFFFAOYSA-N 1 0 446.617 2.600 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[C@@H](C)[NH+]3CCCC3)CC2)c1C ZINC000045973999 557555911 /nfs/dbraw/zinc/55/59/11/557555911.db2.gz FSEFHECXETVEHC-MRXNPFEDSA-N 1 0 446.592 2.651 50 0 IFAARO CCOC(=O)c1ccc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1 ZINC000225829040 557782203 /nfs/dbraw/zinc/78/22/03/557782203.db2.gz MUHXCTLFDSIIGN-LJQANCHMSA-N 1 0 440.606 2.745 50 0 IFAARO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000229980125 557834716 /nfs/dbraw/zinc/83/47/16/557834716.db2.gz KNQIJHJGMGDGQA-IEBWSBKVSA-N 1 0 445.608 2.849 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004003866 562940677 /nfs/dbraw/zinc/94/06/77/562940677.db2.gz PBEDSCNJJLEVCT-SFHVURJKSA-N 1 0 434.540 2.537 50 0 IFAARO CCC[NH+](CCC)CCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000008828521 562964544 /nfs/dbraw/zinc/96/45/44/562964544.db2.gz JVHKBLDTBJLYLZ-UHFFFAOYSA-N 1 0 448.427 2.746 50 0 IFAARO Cn1nc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000009405569 562970098 /nfs/dbraw/zinc/97/00/98/562970098.db2.gz HNLKSZAMYZYIHF-UHFFFAOYSA-N 1 0 438.553 2.626 50 0 IFAARO COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1 ZINC000009473076 562971782 /nfs/dbraw/zinc/97/17/82/562971782.db2.gz QOPOAQJTVJERQC-UHFFFAOYSA-N 1 0 432.590 2.517 50 0 IFAARO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000009781105 562976857 /nfs/dbraw/zinc/97/68/57/562976857.db2.gz LLVDKZSRUFATNP-UHFFFAOYSA-N 1 0 442.006 2.803 50 0 IFAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000012982594 562983734 /nfs/dbraw/zinc/98/37/34/562983734.db2.gz PWHNMFSJULETFA-HXUWFJFHSA-N 1 0 433.574 2.908 50 0 IFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000014513571 563014555 /nfs/dbraw/zinc/01/45/55/563014555.db2.gz SDBODWVOGQDYBR-UHFFFAOYSA-N 1 0 435.521 2.558 50 0 IFAARO CCC[NH+]1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC(C)C)cc3)NC(=O)N2)CC1 ZINC000020214457 563024130 /nfs/dbraw/zinc/02/41/30/563024130.db2.gz OVCQQKDTQZCFAS-QFIPXVFZSA-N 1 0 444.576 2.673 50 0 IFAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055341070 563142580 /nfs/dbraw/zinc/14/25/80/563142580.db2.gz YABZEWCYGYNPJJ-JOCHJYFZSA-N 1 0 427.568 2.922 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 ZINC000106088834 568624827 /nfs/dbraw/zinc/62/48/27/568624827.db2.gz YAOHMCBUQAKYRN-OJLQRUNKSA-N 1 0 426.561 2.501 50 0 IFAARO O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000012053986 568625245 /nfs/dbraw/zinc/62/52/45/568625245.db2.gz VYAAXJWTBYONOQ-FQEVSTJZSA-N 1 0 447.535 2.613 50 0 IFAARO O=C(CCc1ccccc1)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000015064048 568635300 /nfs/dbraw/zinc/63/53/00/568635300.db2.gz QGTIWFRODBMMGO-HSZRJFAPSA-N 1 0 427.589 2.617 50 0 IFAARO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000253612900 568644110 /nfs/dbraw/zinc/64/41/10/568644110.db2.gz IODXUQAOGVHRQO-OAQYLSRUSA-N 1 0 445.567 2.770 50 0 IFAARO O=CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000261492733 568734704 /nfs/dbraw/zinc/73/47/04/568734704.db2.gz XRNVQXKVBYEZSW-IBGZPJMESA-N 1 0 449.530 2.677 50 0 IFAARO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000299762092 568756026 /nfs/dbraw/zinc/75/60/26/568756026.db2.gz RHVQUPIUFCVEJG-NQIIRXRSSA-N 1 0 428.554 2.661 50 0 IFAARO CON(C)S(=O)(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000078564537 568762174 /nfs/dbraw/zinc/76/21/74/568762174.db2.gz HKBCNKRFDKAEJZ-UHFFFAOYSA-N 1 0 438.525 2.603 50 0 IFAARO Cn1c2nc(NCc3ccc(C[NH+]4CCCCC4)o3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000001275251 568775801 /nfs/dbraw/zinc/77/58/01/568775801.db2.gz RWWKNRJKNDTRMV-UHFFFAOYSA-N 1 0 448.527 2.663 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000084692286 568799989 /nfs/dbraw/zinc/79/99/89/568799989.db2.gz PHGAZEUQOWNKIC-LJQANCHMSA-N 1 0 447.645 2.957 50 0 IFAARO CCOC(=O)c1noc2ncnc(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c21 ZINC000015735185 568816406 /nfs/dbraw/zinc/81/64/06/568816406.db2.gz OOPBJBOKFTYKHR-UHFFFAOYSA-N 1 0 428.468 2.558 50 0 IFAARO CC[NH+](CC)CCNC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn21 ZINC000015776226 568823743 /nfs/dbraw/zinc/82/37/43/568823743.db2.gz XKDMUXGQGLXGTO-UHFFFAOYSA-N 1 0 429.956 2.780 50 0 IFAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777490 568824849 /nfs/dbraw/zinc/82/48/49/568824849.db2.gz DFIFDSSOOONPIV-UHFFFAOYSA-N 1 0 436.626 2.510 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652735 568837752 /nfs/dbraw/zinc/83/77/52/568837752.db2.gz JMSFYYLVOKFYCM-QZNJRLLKSA-N 1 0 432.613 2.609 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)c(C)c1 ZINC000015864197 568849702 /nfs/dbraw/zinc/84/97/02/568849702.db2.gz VJXWAUSNSQNREU-UHFFFAOYSA-N 1 0 435.977 2.580 50 0 IFAARO CSCC[C@H]1[NH2+][C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015956612 568859841 /nfs/dbraw/zinc/85/98/41/568859841.db2.gz HZUZNQSIBXXFOD-ZHSNQQFMSA-N 1 0 427.570 2.720 50 0 IFAARO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000229756110 568886794 /nfs/dbraw/zinc/88/67/94/568886794.db2.gz HYTHEVIYSNDMSN-VQIMIIECSA-N 1 0 448.614 2.715 50 0 IFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000583652713 568889580 /nfs/dbraw/zinc/88/95/80/568889580.db2.gz RBJPGCBXVMWHJB-KNQAVFIVSA-N 1 0 426.561 2.526 50 0 IFAARO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000244574764 568915303 /nfs/dbraw/zinc/91/53/03/568915303.db2.gz CQYMCORJBNWMKB-VABKMULXSA-N 1 0 428.573 2.960 50 0 IFAARO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000244574763 568915379 /nfs/dbraw/zinc/91/53/79/568915379.db2.gz CQYMCORJBNWMKB-DNVJHFABSA-N 1 0 428.573 2.960 50 0 IFAARO Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC000064566376 568933168 /nfs/dbraw/zinc/93/31/68/568933168.db2.gz JYCKTNBWCJNGNL-UHFFFAOYSA-N 1 0 434.544 2.822 50 0 IFAARO C[NH+](C)CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[nH]2)CC1 ZINC000064611615 568941552 /nfs/dbraw/zinc/94/15/52/568941552.db2.gz AVXMFIAWVXYNLX-UHFFFAOYSA-N 1 0 443.548 2.685 50 0 IFAARO C[NH+](C)CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611665 568941557 /nfs/dbraw/zinc/94/15/57/568941557.db2.gz OXDVCDMQIFOEOH-MRXNPFEDSA-N 1 0 425.558 2.546 50 0 IFAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc3c(c2)OCO3)n1 ZINC000036073717 568946245 /nfs/dbraw/zinc/94/62/45/568946245.db2.gz LWFXVQGZMQAHKM-UHFFFAOYSA-N 1 0 436.512 2.897 50 0 IFAARO C[C@H](CCNC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)no1)[NH+]1CCCCCC1 ZINC000064746510 568949790 /nfs/dbraw/zinc/94/97/90/568949790.db2.gz BJDVWPWCHZHYBY-GOSISDBHSA-N 1 0 427.549 2.958 50 0 IFAARO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036092194 568950818 /nfs/dbraw/zinc/95/08/18/568950818.db2.gz XHVDYODXSGOMIA-MDOVXXIYSA-N 1 0 431.533 2.853 50 0 IFAARO CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000064755497 568951208 /nfs/dbraw/zinc/95/12/08/568951208.db2.gz MMFXCXXYENKILO-UHFFFAOYSA-N 1 0 446.507 2.617 50 0 IFAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036102089 568952696 /nfs/dbraw/zinc/95/26/96/568952696.db2.gz VWRSHTRHDIRHOC-OAQYLSRUSA-N 1 0 434.964 2.923 50 0 IFAARO COc1ccc(CCN2C[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2=O)cc1OC ZINC000064761490 568952743 /nfs/dbraw/zinc/95/27/43/568952743.db2.gz USYDCMVDFBXZIP-HXUWFJFHSA-N 1 0 443.588 2.572 50 0 IFAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(C)[nH+]1 ZINC000064800530 568961260 /nfs/dbraw/zinc/96/12/60/568961260.db2.gz PIAAUHKPQNKFOX-UHFFFAOYSA-N 1 0 429.468 2.747 50 0 IFAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799866 568961316 /nfs/dbraw/zinc/96/13/16/568961316.db2.gz JENJWPYWOHVIIE-UHFFFAOYSA-N 1 0 436.343 2.891 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1 ZINC000064859410 568972448 /nfs/dbraw/zinc/97/24/48/568972448.db2.gz FTTBIVAPIASFKU-UHFFFAOYSA-N 1 0 447.583 2.511 50 0 IFAARO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309091 568995847 /nfs/dbraw/zinc/99/58/47/568995847.db2.gz YEMPDFJQTXLDKH-KNQAVFIVSA-N 1 0 444.597 2.972 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COC ZINC000036309972 568996421 /nfs/dbraw/zinc/99/64/21/568996421.db2.gz JQDYTOHLOJDEGP-ICSRJNTNSA-N 1 0 432.586 2.891 50 0 IFAARO CCC[NH+]1CCN(C(=O)[C@@H](CC)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064970928 569076417 /nfs/dbraw/zinc/07/64/17/569076417.db2.gz JIQVYYLPMCMIJQ-HXUWFJFHSA-N 1 0 436.560 2.704 50 0 IFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)CC1 ZINC000065023920 569089490 /nfs/dbraw/zinc/08/94/90/569089490.db2.gz WHJWPTZDSOBPAT-UHFFFAOYSA-N 1 0 436.604 2.504 50 0 IFAARO CCC[NH+]1CCN(CCNC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)CC1 ZINC000065025756 569090748 /nfs/dbraw/zinc/09/07/48/569090748.db2.gz YVTCYBQKXRYXCA-UHFFFAOYSA-N 1 0 436.604 2.891 50 0 IFAARO Cc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000065074712 569098957 /nfs/dbraw/zinc/09/89/57/569098957.db2.gz LAMYPIYWMLVGLS-UHFFFAOYSA-N 1 0 447.004 2.963 50 0 IFAARO Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NCC[NH+]=C2NCc1cc(F)cc(F)c1 ZINC000065074729 569099009 /nfs/dbraw/zinc/09/90/09/569099009.db2.gz VJZFLTYNRAUBBH-UHFFFAOYSA-N 1 0 448.539 2.588 50 0 IFAARO O=C(NCc1cnn(-c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)c1)C1CC1 ZINC000065213118 569116849 /nfs/dbraw/zinc/11/68/49/569116849.db2.gz QSTXRUOIMLBBJG-UHFFFAOYSA-N 1 0 435.572 2.989 50 0 IFAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncccc3-c3noc(CC)n3)C2)CC1 ZINC000065227756 569117538 /nfs/dbraw/zinc/11/75/38/569117538.db2.gz KOGASUGUDZXXAI-GOSISDBHSA-N 1 0 426.565 2.855 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036594929 569121455 /nfs/dbraw/zinc/12/14/55/569121455.db2.gz MMCQWVLEAZAZPW-WBVHZDCISA-N 1 0 425.558 2.806 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000065255997 569123144 /nfs/dbraw/zinc/12/31/44/569123144.db2.gz SLLAANNXPLCEFR-NRFANRHFSA-N 1 0 437.544 2.583 50 0 IFAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259863 569124882 /nfs/dbraw/zinc/12/48/82/569124882.db2.gz DXRMVYKGKPVUIH-KRWDZBQOSA-N 1 0 425.620 2.531 50 0 IFAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273154 569129338 /nfs/dbraw/zinc/12/93/38/569129338.db2.gz FPBKHTWNHYFUBP-LJQANCHMSA-N 1 0 446.661 2.623 50 0 IFAARO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314114 569135521 /nfs/dbraw/zinc/13/55/21/569135521.db2.gz PVQQTYXTBPTLGY-JOCHJYFZSA-N 1 0 437.588 2.500 50 0 IFAARO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000170598372 569142257 /nfs/dbraw/zinc/14/22/57/569142257.db2.gz YTYHGMANRURMIF-IAGOWNOFSA-N 1 0 437.606 2.528 50 0 IFAARO COc1cccc([C@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC000170607822 569144364 /nfs/dbraw/zinc/14/43/64/569144364.db2.gz NWJKFVIDYRMAAT-ICSRJNTNSA-N 1 0 446.548 2.618 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C(C)C)c1 ZINC000089791081 569164927 /nfs/dbraw/zinc/16/49/27/569164927.db2.gz KMHJKOACIZBMKN-JOCHJYFZSA-N 1 0 445.535 2.975 50 0 IFAARO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000089869475 569166315 /nfs/dbraw/zinc/16/63/15/569166315.db2.gz AYWWNOHXXVIZEQ-DNVCBOLYSA-N 1 0 427.998 2.925 50 0 IFAARO Cc1ccc2nc(NC(=O)CSc3nc(=O)n(CC[NH+](C)C)c4c3CCC4)sc2c1 ZINC000017122112 569174241 /nfs/dbraw/zinc/17/42/41/569174241.db2.gz ZVEIIDYZUSISEE-UHFFFAOYSA-N 1 0 443.598 2.943 50 0 IFAARO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000252476988 569185893 /nfs/dbraw/zinc/18/58/93/569185893.db2.gz GCGFHEPKAAPXBJ-IPMKNSEASA-N 1 0 439.597 2.946 50 0 IFAARO O=C(C[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252550350 569190895 /nfs/dbraw/zinc/19/08/95/569190895.db2.gz SKWJBGKZNLROEU-QXAKKESOSA-N 1 0 432.952 2.736 50 0 IFAARO COc1cccc(C(=O)/N=c2\sccn2Cc2ccccc2C(=O)NCC[NH+](C)C)c1 ZINC000037435935 569196160 /nfs/dbraw/zinc/19/61/60/569196160.db2.gz DNKAKPWAOURVHL-BZZOAKBMSA-N 1 0 438.553 2.639 50 0 IFAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819700 569211447 /nfs/dbraw/zinc/21/14/47/569211447.db2.gz CMLTYOKDBFTGQE-IBGZPJMESA-N 1 0 425.577 2.743 50 0 IFAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581819746 569211597 /nfs/dbraw/zinc/21/15/97/569211597.db2.gz HQLVUAYPQUSAKK-JOCHJYFZSA-N 1 0 435.634 2.556 50 0 IFAARO O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@@H]1[NH2+]C1CCCCC1 ZINC000107988104 569258843 /nfs/dbraw/zinc/25/88/43/569258843.db2.gz AJSNGWPXOSLKIO-WOJBJXKFSA-N 1 0 431.577 2.613 50 0 IFAARO COc1cc2c(cc1OC)CC(=O)N(CC(=O)N(C)C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C=C2 ZINC000253412911 569265975 /nfs/dbraw/zinc/26/59/75/569265975.db2.gz SLGDLICUNGGEAF-PZJWPPBQSA-N 1 0 441.572 2.782 50 0 IFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2NS(C)(=O)=O ZINC000253414414 569266122 /nfs/dbraw/zinc/26/61/22/569266122.db2.gz XKTQDBBWMFLOPX-FXAWDEMLSA-N 1 0 432.590 2.736 50 0 IFAARO CSc1ncc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1-c1ccccc1 ZINC000079026195 569322937 /nfs/dbraw/zinc/32/29/37/569322937.db2.gz JMSQSRMBBFXYLQ-UHFFFAOYSA-N 1 0 443.617 2.951 50 0 IFAARO COc1ccc(OC)c(S(=O)(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000079062404 569324128 /nfs/dbraw/zinc/32/41/28/569324128.db2.gz SFINNNYNZFFZSP-UHFFFAOYSA-N 1 0 438.521 2.665 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241716 569358014 /nfs/dbraw/zinc/35/80/14/569358014.db2.gz TVRUQGFOAVEIQZ-NMEJYPJZSA-N 1 0 449.573 2.516 50 0 IFAARO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283701 569358898 /nfs/dbraw/zinc/35/88/98/569358898.db2.gz XHVDYODXSGOMIA-STXHMFSFSA-N 1 0 431.533 2.853 50 0 IFAARO CCC[NH+]1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)CC1 ZINC000020417420 569364954 /nfs/dbraw/zinc/36/49/54/569364954.db2.gz NSAYFBMJWNRWAH-UHFFFAOYSA-N 1 0 439.535 2.556 50 0 IFAARO COc1ccc2c(c1)c1ncn(CCN3CC[NH+](Cc4ccccc4)CC3)c(=O)c1n2C ZINC000020438375 569365570 /nfs/dbraw/zinc/36/55/70/569365570.db2.gz QICCRGDTCBIGHK-UHFFFAOYSA-N 1 0 431.540 2.715 50 0 IFAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000095426521 569366062 /nfs/dbraw/zinc/36/60/62/569366062.db2.gz BMIQLVCFYJIUDX-MSOLQXFVSA-N 1 0 428.360 2.607 50 0 IFAARO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444034 569366988 /nfs/dbraw/zinc/36/69/88/569366988.db2.gz XEOMURKUNOTBDR-JPYJTQIMSA-N 1 0 427.501 2.860 50 0 IFAARO C[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCN1C1CC[NH+](C)CC1 ZINC000095455955 569368658 /nfs/dbraw/zinc/36/86/58/569368658.db2.gz QQVXLYFBMORURZ-INIZCTEOSA-N 1 0 446.393 2.875 50 0 IFAARO CC[N@H+](CCC1CCN(Cc2nnc3n2c2ccsc2c(=O)n3C)CC1)CC1CC1 ZINC000095458280 569369200 /nfs/dbraw/zinc/36/92/00/569369200.db2.gz JHMBYNGPXDUQDC-UHFFFAOYSA-N 1 0 428.606 2.977 50 0 IFAARO Cc1ccccc1CNC(=O)CN1CCC([N@H+](C)CC(=O)NCc2ccccc2C)CC1 ZINC000095459847 569369529 /nfs/dbraw/zinc/36/95/29/569369529.db2.gz FANVXLTWGZUVHP-UHFFFAOYSA-N 1 0 436.600 2.632 50 0 IFAARO COc1cccc([C@H](CNC(=O)c2cnc3sc(C)c(C)n3c2=O)[NH+]2CCCC2)c1 ZINC000095462890 569370099 /nfs/dbraw/zinc/37/00/99/569370099.db2.gz RHDRTCPUBSDQGK-IBGZPJMESA-N 1 0 426.542 2.948 50 0 IFAARO COc1cccc([C@@H](CNC(=O)c2cnc3sc(C)c(C)n3c2=O)[NH+]2CCCC2)c1 ZINC000095462891 569370185 /nfs/dbraw/zinc/37/01/85/569370185.db2.gz RHDRTCPUBSDQGK-LJQANCHMSA-N 1 0 426.542 2.948 50 0 IFAARO C[N@H+](CCO)C1CCN(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000095996503 569378829 /nfs/dbraw/zinc/37/88/29/569378829.db2.gz SEWUQHYPWLRZEI-UHFFFAOYSA-N 1 0 426.517 2.625 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000096344257 569397003 /nfs/dbraw/zinc/39/70/03/569397003.db2.gz YFJYUYZYERXWEV-QGZVFWFLSA-N 1 0 435.503 2.836 50 0 IFAARO C[C@@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)[NH+]1CCC(C)CC1 ZINC000058169216 569449577 /nfs/dbraw/zinc/44/95/77/569449577.db2.gz OGHTUPDXLIFVGX-HNNXBMFYSA-N 1 0 435.366 2.786 50 0 IFAARO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccccc1C[NH+](C)C ZINC000058439316 569454769 /nfs/dbraw/zinc/45/47/69/569454769.db2.gz QSVQTGSRKSGLSZ-UHFFFAOYSA-N 1 0 432.590 2.575 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000031815238 569457890 /nfs/dbraw/zinc/45/78/90/569457890.db2.gz MMCQWVLEAZAZPW-DOTOQJQBSA-N 1 0 425.558 2.806 50 0 IFAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000670457480 569458863 /nfs/dbraw/zinc/45/88/63/569458863.db2.gz AVCIHNMMQHYPCP-QFIPXVFZSA-N 1 0 435.568 2.844 50 0 IFAARO C[NH+](C)CCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000004089504 569458888 /nfs/dbraw/zinc/45/88/88/569458888.db2.gz GMJGALLMKNTWLW-UHFFFAOYSA-N 1 0 428.529 2.832 50 0 IFAARO CC[NH+](CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272351 569461700 /nfs/dbraw/zinc/46/17/00/569461700.db2.gz PVOKNFOXTIMGGY-UHFFFAOYSA-N 1 0 426.561 2.685 50 0 IFAARO CCc1ccc(-n2c(=O)[nH]c3nc(N4CCC([NH+]5CCCCC5)CC4)ncc3c2=O)cc1 ZINC000067264242 569466748 /nfs/dbraw/zinc/46/67/48/569466748.db2.gz RXBMBWHKTBYKRN-UHFFFAOYSA-N 1 0 434.544 2.898 50 0 IFAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1cccc(Cl)c1 ZINC000008706548 569470539 /nfs/dbraw/zinc/47/05/39/569470539.db2.gz NVUIMRWEYUCBKO-UHFFFAOYSA-N 1 0 440.935 2.586 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000008791532 569476257 /nfs/dbraw/zinc/47/62/57/569476257.db2.gz KORZJRHCDXYWAD-NCSKUMKGSA-N 1 0 442.519 2.930 50 0 IFAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4nc5ccccc5o4)n3)c(C)n2)CC1 ZINC000039383791 569481538 /nfs/dbraw/zinc/48/15/38/569481538.db2.gz FHBOZLFYTUQBRR-UHFFFAOYSA-N 1 0 432.488 2.562 50 0 IFAARO CCOc1ccc(-n2ncc(C(=O)Nc3ccccc3N3CC[NH+](CC)CC3)c2C)nn1 ZINC000040040022 569483400 /nfs/dbraw/zinc/48/34/00/569483400.db2.gz JVWNDQAVXSWRQE-UHFFFAOYSA-N 1 0 435.532 2.764 50 0 IFAARO O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893190 569483584 /nfs/dbraw/zinc/48/35/84/569483584.db2.gz XCVSLGHYRQGYBN-SFHVURJKSA-N 1 0 429.542 2.827 50 0 IFAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@H](C)O1 ZINC000040135639 569490721 /nfs/dbraw/zinc/49/07/21/569490721.db2.gz WHQIQMJLRWKJNF-ZAKOGJKOSA-N 1 0 431.621 2.809 50 0 IFAARO CCC[NH+](CCC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450183 569506239 /nfs/dbraw/zinc/50/62/39/569506239.db2.gz TYRSXDPXPYKPNT-UHFFFAOYSA-N 1 0 446.411 2.758 50 0 IFAARO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000040156201 569494141 /nfs/dbraw/zinc/49/41/41/569494141.db2.gz FAHOKVJVVQTMPX-FQEVSTJZSA-N 1 0 429.586 2.537 50 0 IFAARO CCCN(CC(=O)NN1C(=O)N[C@](C)(CC)C1=O)[C@H](C)c1ccccc1Br ZINC000245224681 569499532 /nfs/dbraw/zinc/49/95/32/569499532.db2.gz BIZRHAWLQIZJST-BFUOFWGJSA-N 1 0 439.354 2.974 50 0 IFAARO Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(CC[NH+]3CCCCC3)CC2)cs1 ZINC000040355414 569499733 /nfs/dbraw/zinc/49/97/33/569499733.db2.gz FULKCMCZXXLDQU-UHFFFAOYSA-N 1 0 441.601 2.948 50 0 IFAARO O=C(Nc1nc(C(=O)N2CCN(CC[NH+]3CCCCC3)CC2)cs1)c1ccccc1F ZINC000040356023 569499870 /nfs/dbraw/zinc/49/98/70/569499870.db2.gz UJQNYNDLFWTNCY-UHFFFAOYSA-N 1 0 445.564 2.778 50 0 IFAARO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000245279016 569502036 /nfs/dbraw/zinc/50/20/36/569502036.db2.gz ALHDRLXCNNNHDW-WIYYLYMNSA-N 1 0 448.560 2.864 50 0 IFAARO O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009117793 569503191 /nfs/dbraw/zinc/50/31/91/569503191.db2.gz YRLDGESDFJFXPQ-UHFFFAOYSA-N 1 0 443.551 2.994 50 0 IFAARO C[N@H+](CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)C1CCCCC1 ZINC000009287563 569519341 /nfs/dbraw/zinc/51/93/41/569519341.db2.gz XOHWMWYTKUQRPR-UHFFFAOYSA-N 1 0 448.637 2.652 50 0 IFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009417677 569532448 /nfs/dbraw/zinc/53/24/48/569532448.db2.gz LVTPXFPJIWLDEE-GOSISDBHSA-N 1 0 437.562 2.557 50 0 IFAARO COCC[NH+](CCOC)C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000009550248 569546692 /nfs/dbraw/zinc/54/66/92/569546692.db2.gz PMIOMZKXGWRFAW-NRFANRHFSA-N 1 0 433.545 2.766 50 0 IFAARO Cc1nc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000070655617 569550063 /nfs/dbraw/zinc/55/00/63/569550063.db2.gz APCMUBHYQVHUMW-UHFFFAOYSA-N 1 0 445.527 2.930 50 0 IFAARO COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)c1 ZINC000009622088 569553462 /nfs/dbraw/zinc/55/34/62/569553462.db2.gz VIYPSIZMXKZYHT-UHFFFAOYSA-N 1 0 429.517 2.889 50 0 IFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cccc(OC)c3)nc1=O)CCC2 ZINC000009745442 569565678 /nfs/dbraw/zinc/56/56/78/569565678.db2.gz ZVDAACPTXUCUDY-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C[C@@H]3Oc4ccccc4NC3=O)CC2)c1 ZINC000009833593 569570411 /nfs/dbraw/zinc/57/04/11/569570411.db2.gz WEKXPFOQYUFSOH-QHCPKHFHSA-N 1 0 436.556 2.722 50 0 IFAARO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009991937 569576914 /nfs/dbraw/zinc/57/69/14/569576914.db2.gz LZMGVFJLFWUTMX-UHFFFAOYSA-N 1 0 435.977 2.873 50 0 IFAARO CC[NH+](CC)CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1cccc(Cl)c1)c3=O ZINC000010233411 569579573 /nfs/dbraw/zinc/57/95/73/569579573.db2.gz XHQJORSUTRPFRY-UHFFFAOYSA-N 1 0 442.951 2.501 50 0 IFAARO Cc1cn2c3c(nc2n1-c1cccc(C)c1C)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000010271830 569580065 /nfs/dbraw/zinc/58/00/65/569580065.db2.gz UCSBVKWBOCQDFC-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO Cc1c(C)n(-c2cccc(C)c2C)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000010271875 569580092 /nfs/dbraw/zinc/58/00/92/569580092.db2.gz ZOTGXEKCAFJLAH-UHFFFAOYSA-N 1 0 448.571 2.858 50 0 IFAARO Cn1cc([C@H](CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)[NH+](C)C)c2ccccc21 ZINC000077171700 569585810 /nfs/dbraw/zinc/58/58/10/569585810.db2.gz MNAPXXTXTFOQJH-QFIPXVFZSA-N 1 0 447.539 2.663 50 0 IFAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008607649 132287409 /nfs/dbraw/zinc/28/74/09/132287409.db2.gz BTBWIZCYJLNZRK-HSZRJFAPSA-N 1 0 438.547 2.822 50 0 IFAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009060050 132301535 /nfs/dbraw/zinc/30/15/35/132301535.db2.gz WUBDXGIILVLSAY-UHFFFAOYSA-N 1 0 447.587 2.988 50 0 IFAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000009642021 132324492 /nfs/dbraw/zinc/32/44/92/132324492.db2.gz SKQBQMPICVZURX-UHFFFAOYSA-N 1 0 430.574 2.721 50 0 IFAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697999 132339255 /nfs/dbraw/zinc/33/92/55/132339255.db2.gz GHFKVOCIGSAGCM-UHFFFAOYSA-N 1 0 433.472 2.741 50 0 IFAARO COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1OC ZINC000011697994 132339272 /nfs/dbraw/zinc/33/92/72/132339272.db2.gz MACKJORLCYEEDW-UHFFFAOYSA-N 1 0 435.488 2.987 50 0 IFAARO CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020566591 518704370 /nfs/dbraw/zinc/70/43/70/518704370.db2.gz ZTJBMVGUEXXISD-QFQXNSOFSA-N 1 0 446.551 2.797 50 0 IFAARO CC(C)CC[C@@]1(C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012157985 519687722 /nfs/dbraw/zinc/68/77/22/519687722.db2.gz BNXIJKJZHNSJKR-NTWACIBNSA-N 1 0 444.620 2.726 50 0 IFAARO CCC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3cc(OC)ccc3OC)n2)CC1 ZINC000021930361 519860381 /nfs/dbraw/zinc/86/03/81/519860381.db2.gz UIQVMMVDBIFMFA-UHFFFAOYSA-N 1 0 425.537 2.525 50 0 IFAARO CCCC[N@H+](CC)CCCNC(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574373 520476196 /nfs/dbraw/zinc/47/61/96/520476196.db2.gz XVRYLDDKUHJKCV-UHFFFAOYSA-N 1 0 429.496 2.819 50 0 IFAARO CCCC[N@H+](CCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1)Cc1ccco1 ZINC000021026193 520500355 /nfs/dbraw/zinc/50/03/55/520500355.db2.gz NNJWZFCHXVCKSS-UHFFFAOYSA-N 1 0 448.593 2.503 50 0 IFAARO CCOC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560250 520514527 /nfs/dbraw/zinc/51/45/27/520514527.db2.gz OQDJQSHNEBXZGA-XMMPIXPASA-N 1 0 448.567 2.984 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000020566531 520561943 /nfs/dbraw/zinc/56/19/43/520561943.db2.gz OGPXOPVGYZCTOV-XCBFCAQUSA-N 1 0 447.535 2.772 50 0 IFAARO CCOC(=O)CCC[N@H+](CCCOC)CC(=O)N1CCS[C@H]1c1ccc(OC)cc1 ZINC000035843550 520636457 /nfs/dbraw/zinc/63/64/57/520636457.db2.gz SNEPSJSCTZSMCY-QFIPXVFZSA-N 1 0 438.590 2.951 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC ZINC000012572957 520685264 /nfs/dbraw/zinc/68/52/64/520685264.db2.gz CHCAFVDTGDVBSW-UHFFFAOYSA-N 1 0 434.544 2.646 50 0 IFAARO CCOc1ccc(-c2noc(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)n2)cc1OC ZINC000035375208 520829068 /nfs/dbraw/zinc/82/90/68/520829068.db2.gz KMMWZMGUERJDEG-UHFFFAOYSA-N 1 0 443.548 2.572 50 0 IFAARO C=C1C(NCCCN2CC[NH+](Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000020901139 520843691 /nfs/dbraw/zinc/84/36/91/520843691.db2.gz AUJMMAMABAOMSM-UHFFFAOYSA-N 1 0 438.597 2.957 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCN1Cc2ccccc2C1=O ZINC000012466190 520976459 /nfs/dbraw/zinc/97/64/59/520976459.db2.gz KJGBGHUTICZXKS-UHFFFAOYSA-N 1 0 426.605 2.687 50 0 IFAARO CCN(CC[NH+](C)C)C(=O)[C@H]1Cc2nc(NC(=O)c3cccc(F)c3)sc2C(=O)C1 ZINC000012282918 521043828 /nfs/dbraw/zinc/04/38/28/521043828.db2.gz RGLDPCZVCALOCU-AWEZNQCLSA-N 1 0 432.521 2.690 50 0 IFAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCC3)C2)c1C ZINC000035422148 521378540 /nfs/dbraw/zinc/37/85/40/521378540.db2.gz YCPFZFGJMOGRTM-LJQANCHMSA-N 1 0 446.592 2.653 50 0 IFAARO CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012466995 521483676 /nfs/dbraw/zinc/48/36/76/521483676.db2.gz IGIAOOGFSIDIQN-HXUWFJFHSA-N 1 0 444.620 2.543 50 0 IFAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000012918918 521569672 /nfs/dbraw/zinc/56/96/72/521569672.db2.gz ZMDWPQHSXJNPAQ-UHFFFAOYSA-N 1 0 448.416 2.995 50 0 IFAARO CCC[NH+](CCC)CCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574653 521646598 /nfs/dbraw/zinc/64/65/98/521646598.db2.gz JDBIJCONSPGJEI-UHFFFAOYSA-N 1 0 429.496 2.819 50 0 IFAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCC1)C2 ZINC000023353935 521664342 /nfs/dbraw/zinc/66/43/42/521664342.db2.gz VGFOPNVXBMVSPJ-FQEVSTJZSA-N 1 0 443.636 2.621 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)c(C)c2)CC1 ZINC000012522696 521699301 /nfs/dbraw/zinc/69/93/01/521699301.db2.gz BHQYIXHFEWSUKV-QGZVFWFLSA-N 1 0 448.564 2.582 50 0 IFAARO CC[NH+]1CCN(c2nc(SCc3cccc(C(=O)NCCOC)c3)nc(C)c2C)CC1 ZINC000036062958 521701102 /nfs/dbraw/zinc/70/11/02/521701102.db2.gz QWUHFWDWIMOWER-UHFFFAOYSA-N 1 0 443.617 2.904 50 0 IFAARO COC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)cc1 ZINC000012577046 522006330 /nfs/dbraw/zinc/00/63/30/522006330.db2.gz OGJJYKIEJTUVSQ-UHFFFAOYSA-N 1 0 438.524 2.989 50 0 IFAARO CN(C)c1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000035422073 522256096 /nfs/dbraw/zinc/25/60/96/522256096.db2.gz QBETTZADTRRQPH-UHFFFAOYSA-N 1 0 428.964 2.870 50 0 IFAARO CN(CCO)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 ZINC000012133415 522879323 /nfs/dbraw/zinc/87/93/23/522879323.db2.gz WJVUQPCCFBVKDW-NRFANRHFSA-N 1 0 431.540 2.751 50 0 IFAARO COC(=O)CCCNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000012589843 523017765 /nfs/dbraw/zinc/01/77/65/523017765.db2.gz UIBAZMQTRGOKGN-UHFFFAOYSA-N 1 0 428.533 2.578 50 0 IFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000020466535 523166799 /nfs/dbraw/zinc/16/67/99/523166799.db2.gz FSQPVRBVZJWHLR-GOSISDBHSA-N 1 0 448.637 2.652 50 0 IFAARO CCn1c(C[NH2+][C@@H](C)c2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012540722 523196140 /nfs/dbraw/zinc/19/61/40/523196140.db2.gz MZPLRDHLAVUYLY-HNNXBMFYSA-N 1 0 434.587 2.989 50 0 IFAARO CCn1c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc2[nH]c(=O)c1=O ZINC000022680789 523261671 /nfs/dbraw/zinc/26/16/71/523261671.db2.gz HXVXHWHCLZXELO-IBGZPJMESA-N 1 0 440.569 2.974 50 0 IFAARO COc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1OC ZINC000021793721 523649672 /nfs/dbraw/zinc/64/96/72/523649672.db2.gz FXISLUSKIWRULJ-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](CCCc2ccccc2)CC3)cc1 ZINC000012245683 523704546 /nfs/dbraw/zinc/70/45/46/523704546.db2.gz NEWNWJTYDNEXLP-UHFFFAOYSA-N 1 0 433.556 2.750 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cn2)CC1 ZINC000058184337 523813413 /nfs/dbraw/zinc/81/34/13/523813413.db2.gz ASDDDDCAVPHENV-UHFFFAOYSA-N 1 0 433.512 2.999 50 0 IFAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(F)cc2)CC1 ZINC000022796298 523919700 /nfs/dbraw/zinc/91/97/00/523919700.db2.gz MJZSUVSSNLFJSO-LJQANCHMSA-N 1 0 436.890 2.662 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375003 523945538 /nfs/dbraw/zinc/94/55/38/523945538.db2.gz KBYNEFDHULKTTC-INARBTAWSA-N 1 0 434.334 2.624 50 0 IFAARO COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012587452 524008611 /nfs/dbraw/zinc/00/86/11/524008611.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 1 0 436.556 2.989 50 0 IFAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000021534427 524010739 /nfs/dbraw/zinc/01/07/39/524010739.db2.gz QIGJYRSKCPZIOX-UHFFFAOYSA-N 1 0 429.586 2.570 50 0 IFAARO C[NH+](C)CC(C)(C)CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O ZINC000014993839 524046434 /nfs/dbraw/zinc/04/64/34/524046434.db2.gz KDEGIOGYYSULEL-UHFFFAOYSA-N 1 0 430.593 2.638 50 0 IFAARO COc1cccc([C@@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804923 524098178 /nfs/dbraw/zinc/09/81/78/524098178.db2.gz CWRNNFDPHSSPLM-NZQKXSOJSA-N 1 0 446.617 2.795 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944369 524100405 /nfs/dbraw/zinc/10/04/05/524100405.db2.gz FJFWLRHIKZJWIE-HXUWFJFHSA-N 1 0 448.567 2.592 50 0 IFAARO Cc1cc(C)c(OC[C@H](O)C[N@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000020807847 524312361 /nfs/dbraw/zinc/31/23/61/524312361.db2.gz CQQPPAXBZHIFBR-DHIUTWEWSA-N 1 0 426.557 2.662 50 0 IFAARO Cc1cccc(C[NH+]2CCC(CNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000020904142 524385718 /nfs/dbraw/zinc/38/57/18/524385718.db2.gz YHPSRMOGRJHZFI-UHFFFAOYSA-N 1 0 429.542 2.516 50 0 IFAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]Cc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000020997186 524886229 /nfs/dbraw/zinc/88/62/29/524886229.db2.gz HYXGXBJTVCWTIB-OKILXGFUSA-N 1 0 428.514 2.664 50 0 IFAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1Cl ZINC000022796404 525004484 /nfs/dbraw/zinc/00/44/84/525004484.db2.gz LSYIJQYPSQGWLT-FQEVSTJZSA-N 1 0 432.927 2.831 50 0 IFAARO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000035361551 525052180 /nfs/dbraw/zinc/05/21/80/525052180.db2.gz CXRMBOXVDCGMIY-HXUWFJFHSA-N 1 0 426.586 2.976 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000012592011 525135557 /nfs/dbraw/zinc/13/55/57/525135557.db2.gz MVDPTALXYSNHHJ-JOCHJYFZSA-N 1 0 440.588 2.823 50 0 IFAARO CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000012847158 525172224 /nfs/dbraw/zinc/17/22/24/525172224.db2.gz BUESDNBFBZVLSU-UHFFFAOYSA-N 1 0 427.570 2.925 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000012910988 525517592 /nfs/dbraw/zinc/51/75/92/525517592.db2.gz YDAWSAPDTOIANP-LJQANCHMSA-N 1 0 435.615 2.876 50 0 IFAARO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000020610723 525599398 /nfs/dbraw/zinc/59/93/98/525599398.db2.gz CQCPNMABNNJHRU-GBPOLFSSSA-N 1 0 427.570 2.883 50 0 IFAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796378 525760716 /nfs/dbraw/zinc/76/07/16/525760716.db2.gz OJQBSPJOLJFGJT-FQEVSTJZSA-N 1 0 432.927 2.831 50 0 IFAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(Cl)c2)c1 ZINC000035421863 525920232 /nfs/dbraw/zinc/92/02/32/525920232.db2.gz MQMMHWHUFDYIIV-UHFFFAOYSA-N 1 0 433.911 2.952 50 0 IFAARO C[C@H](C(=O)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1)n1cnc2ccccc21 ZINC000012435389 525956155 /nfs/dbraw/zinc/95/61/55/525956155.db2.gz JJIQXDNVYIRZIW-LJQANCHMSA-N 1 0 437.588 2.923 50 0 IFAARO Cc1c2cnn(CC(=O)NCCC[NH+]3CCCC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417373 525994007 /nfs/dbraw/zinc/99/40/07/525994007.db2.gz YDWTZANSTUKADM-UHFFFAOYSA-N 1 0 439.535 2.604 50 0 IFAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H](c2ccncc2)N2CCOCC2)c1 ZINC000014882458 526016691 /nfs/dbraw/zinc/01/66/91/526016691.db2.gz LTEFRYWIEIWAPK-VWNXMTODSA-N 1 0 438.572 2.634 50 0 IFAARO O=C(NCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2c1 ZINC000040896792 526303677 /nfs/dbraw/zinc/30/36/77/526303677.db2.gz FAIFAFUXFFWVNQ-UHFFFAOYSA-N 1 0 428.536 2.998 50 0 in-vitro IFAARO c1cc2c(c(C[N@H+]3CCC[C@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601144 526438096 /nfs/dbraw/zinc/43/80/96/526438096.db2.gz AAPAEUQGIOSHDO-NRFANRHFSA-N 1 0 437.540 2.926 50 0 IFAARO Cc1nnsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000012297917 526440815 /nfs/dbraw/zinc/44/08/15/526440815.db2.gz IVJVMMXZLKXKRO-HXUWFJFHSA-N 1 0 441.601 2.870 50 0 IFAARO O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012567386 526480470 /nfs/dbraw/zinc/48/04/70/526480470.db2.gz NAUYEBGIYLJDLH-GOTSBHOMSA-N 1 0 431.536 2.825 50 0 IFAARO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)c2nnnn2-c2ccc(Br)cc21 ZINC000035622044 527060178 /nfs/dbraw/zinc/06/01/78/527060178.db2.gz BKTQOAATIPNNMM-UHFFFAOYSA-N 1 0 439.317 2.660 50 0 IFAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)cc1 ZINC000012895251 527311281 /nfs/dbraw/zinc/31/12/81/527311281.db2.gz VHEOGTFRDJZPJM-QFIPXVFZSA-N 1 0 440.565 2.633 50 0 IFAARO O=C(NCCC[NH+]1CCCCCC1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000015786818 527665646 /nfs/dbraw/zinc/66/56/46/527665646.db2.gz SUYFTZLAOQTDDP-UHFFFAOYSA-N 1 0 440.953 2.693 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)CSc3nnnn3-c3ccccc3Cl)cc2)CC1 ZINC000008974948 536423704 /nfs/dbraw/zinc/42/37/04/536423704.db2.gz YGFOKGJDBFPRQJ-UHFFFAOYSA-N 1 0 443.964 2.798 50 0 IFAARO Cc1nn(CC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)c(=O)c2ccccc12 ZINC000001062805 555616941 /nfs/dbraw/zinc/61/69/41/555616941.db2.gz TXBVDNZKACACLU-UHFFFAOYSA-N 1 0 430.512 2.826 50 0 IFAARO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668027 555792079 /nfs/dbraw/zinc/79/20/79/555792079.db2.gz SHQUVPCXNPAAJC-SRLUVNLFSA-N 1 0 437.588 2.557 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000032748148 556316945 /nfs/dbraw/zinc/31/69/45/556316945.db2.gz JTMQOBGRBMRMQL-UHFFFAOYSA-N 1 0 436.622 2.533 50 0 IFAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCOc2cccnc2)C[C@H](C)O1 ZINC000011818993 556361137 /nfs/dbraw/zinc/36/11/37/556361137.db2.gz MLEZSRQACGCHRW-IYBDPMFKSA-N 1 0 443.935 2.801 50 0 IFAARO O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011820346 556361909 /nfs/dbraw/zinc/36/19/09/556361909.db2.gz WORYKARJQBKPCQ-OAQYLSRUSA-N 1 0 449.599 2.922 50 0 IFAARO O=C(c1cc[n+]([O-])cc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011879782 556371745 /nfs/dbraw/zinc/37/17/45/556371745.db2.gz MXMJCGQQPRVKGI-VWLOTQADSA-N 1 0 435.568 2.821 50 0 IFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)C1 ZINC000011910508 556375025 /nfs/dbraw/zinc/37/50/25/556375025.db2.gz SHVSTTFCNZSIKU-FQEVSTJZSA-N 1 0 438.572 2.916 50 0 IFAARO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996088 556384250 /nfs/dbraw/zinc/38/42/50/556384250.db2.gz RJHIFDDCOIEWJL-OAHLLOKOSA-N 1 0 437.500 2.500 50 0 IFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000012002923 556385953 /nfs/dbraw/zinc/38/59/53/556385953.db2.gz HIJREXUAXIPFDQ-UHFFFAOYSA-N 1 0 434.540 2.730 50 0 IFAARO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000012039028 556390497 /nfs/dbraw/zinc/39/04/97/556390497.db2.gz CRXCOSTXDODVHR-QFIPXVFZSA-N 1 0 448.527 2.587 50 0 IFAARO COCc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000012078383 556398357 /nfs/dbraw/zinc/39/83/57/556398357.db2.gz DUGXVCDCFQTVCK-UHFFFAOYSA-N 1 0 436.516 2.769 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1-n1cnnn1 ZINC000032646405 556412501 /nfs/dbraw/zinc/41/25/01/556412501.db2.gz LWLKNXDABJTXSM-UHFFFAOYSA-N 1 0 441.333 2.819 50 0 IFAARO COC(=O)c1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cc1 ZINC000014534415 556422594 /nfs/dbraw/zinc/42/25/94/556422594.db2.gz WPJGFBREFQBCOO-UHFFFAOYSA-N 1 0 435.524 2.945 50 0 IFAARO COc1ccccc1CC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014540014 556425234 /nfs/dbraw/zinc/42/52/34/556425234.db2.gz RVXGMBTUXMIBPS-HXUWFJFHSA-N 1 0 440.588 2.710 50 0 IFAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(OC)c1 ZINC000032848059 556430619 /nfs/dbraw/zinc/43/06/19/556430619.db2.gz KYRPFYYSDMHLJK-NRFANRHFSA-N 1 0 431.558 2.941 50 0 IFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014732143 556436807 /nfs/dbraw/zinc/43/68/07/556436807.db2.gz LXVKZOPGNZWXLK-UHFFFAOYSA-N 1 0 438.528 2.536 50 0 IFAARO CC[C@@H](C)CNc1cc(C(=O)N2CCC[N@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732300 556437214 /nfs/dbraw/zinc/43/72/14/556437214.db2.gz KQISLYCLWKXUKC-QGZVFWFLSA-N 1 0 438.638 2.999 50 0 IFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014733200 556437404 /nfs/dbraw/zinc/43/74/04/556437404.db2.gz UTJMFVISQPDNNC-UHFFFAOYSA-N 1 0 438.528 2.536 50 0 IFAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014740543 556438502 /nfs/dbraw/zinc/43/85/02/556438502.db2.gz TUQSIGIJRYFPMM-UHFFFAOYSA-N 1 0 437.540 2.880 50 0 IFAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)C[N@H+](Cc2ccncc2)C1 ZINC000014749652 556443049 /nfs/dbraw/zinc/44/30/49/556443049.db2.gz ASRYGAOPAFTPJJ-NNMXDRDESA-N 1 0 440.519 2.593 50 0 IFAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014753762 556444409 /nfs/dbraw/zinc/44/44/09/556444409.db2.gz QLMHNMTUIXSBBI-UHFFFAOYSA-N 1 0 438.576 2.703 50 0 IFAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H](c2ccncc2)N2CCOCC2)c1 ZINC000014882455 556454473 /nfs/dbraw/zinc/45/44/73/556454473.db2.gz LTEFRYWIEIWAPK-LADGPHEKSA-N 1 0 438.572 2.634 50 0 IFAARO COc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c(C)c1C ZINC000014888493 556455894 /nfs/dbraw/zinc/45/58/94/556455894.db2.gz RWQDASACNOZJTR-UHFFFAOYSA-N 1 0 439.556 2.777 50 0 IFAARO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000013098960 556459351 /nfs/dbraw/zinc/45/93/51/556459351.db2.gz ONTKCYANQCESJB-UHFFFAOYSA-N 1 0 445.585 2.934 50 0 IFAARO COc1cccc(-n2c(CNC(=O)c3ccc(F)cc3)nnc2SCC[NH+](C)C)c1 ZINC000014971901 556467252 /nfs/dbraw/zinc/46/72/52/556467252.db2.gz LUUZFSUQTANUOB-UHFFFAOYSA-N 1 0 429.521 2.999 50 0 IFAARO COc1ccc(CC[C@@H](C)[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000014976619 556469113 /nfs/dbraw/zinc/46/91/13/556469113.db2.gz FGAORUZLVMDWQM-LJQANCHMSA-N 1 0 448.571 2.534 50 0 IFAARO COc1cc(C[N@@H+]2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC ZINC000014981227 556470978 /nfs/dbraw/zinc/47/09/78/556470978.db2.gz HPPSKAPZUCMKOR-SFHVURJKSA-N 1 0 443.548 2.641 50 0 IFAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H]1CCCN(c2ncccn2)C1 ZINC000014985654 556472281 /nfs/dbraw/zinc/47/22/81/556472281.db2.gz PLSCSHGKHPIHCL-CTNGQTDRSA-N 1 0 441.551 2.882 50 0 IFAARO COCc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000014984938 556472382 /nfs/dbraw/zinc/47/23/82/556472382.db2.gz WQLKFDDAZQLUFJ-UHFFFAOYSA-N 1 0 428.562 2.869 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C ZINC000014988940 556474037 /nfs/dbraw/zinc/47/40/37/556474037.db2.gz KNWDFTKNNYEDBE-UHFFFAOYSA-N 1 0 437.519 2.765 50 0 IFAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2ccccc2OC)CC3)c1 ZINC000014989816 556474321 /nfs/dbraw/zinc/47/43/21/556474321.db2.gz MQLFKJANWXOHEU-QGZVFWFLSA-N 1 0 435.528 2.845 50 0 IFAARO Cc1ccc2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)c(=O)n(CCOc3ccccc3)c2c1 ZINC000014995694 556477590 /nfs/dbraw/zinc/47/75/90/556477590.db2.gz BLQWRUZINVGJPU-FQEVSTJZSA-N 1 0 426.538 2.666 50 0 IFAARO CCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)CC1 ZINC000014999826 556479401 /nfs/dbraw/zinc/47/94/01/556479401.db2.gz UVWRCQJQWDFUAG-SANMLTNESA-N 1 0 448.567 2.531 50 0 IFAARO COc1ccc(CCN2C[C@H](C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2=O)cc1OC ZINC000013130961 556480046 /nfs/dbraw/zinc/48/00/46/556480046.db2.gz NBHBYWWKRXIEAH-RTWAWAEBSA-N 1 0 439.556 2.514 50 0 IFAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)CC1 ZINC000015075038 556498770 /nfs/dbraw/zinc/49/87/70/556498770.db2.gz MILHGCYBTUIFDQ-XMMPIXPASA-N 1 0 448.611 2.867 50 0 IFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000013372236 556503733 /nfs/dbraw/zinc/50/37/33/556503733.db2.gz PJSMLXNHQZCQEP-JOCHJYFZSA-N 1 0 435.524 2.749 50 0 IFAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937701 556506594 /nfs/dbraw/zinc/50/65/94/556506594.db2.gz QGFFOZRTQXCLKB-XMMPIXPASA-N 1 0 434.584 2.678 50 0 IFAARO COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000022938118 556508077 /nfs/dbraw/zinc/50/80/77/556508077.db2.gz FMVFMZZOSINUKF-FQEVSTJZSA-N 1 0 430.593 2.638 50 0 IFAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016024551 556575960 /nfs/dbraw/zinc/57/59/60/556575960.db2.gz YGUKFBBBTVXVDY-UJKGCTCZSA-N 1 0 434.334 2.624 50 0 IFAARO NC(=O)c1cc([C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589451 556578142 /nfs/dbraw/zinc/57/81/42/556578142.db2.gz MUDKZNGUXRBVIH-CTNGQTDRSA-N 1 0 434.492 2.828 50 0 IFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000032967213 556587948 /nfs/dbraw/zinc/58/79/48/556587948.db2.gz ZULSDJCLUDATNX-HXUWFJFHSA-N 1 0 449.573 2.690 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[N@H+]3CCCC[C@H]3C)s2)cc1 ZINC000032987484 556607667 /nfs/dbraw/zinc/60/76/67/556607667.db2.gz OCDCPDCZIBVSGN-MRXNPFEDSA-N 1 0 431.562 2.606 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[C@@H](C)[NH+]3CCCC3)s2)cc1 ZINC000032987499 556607682 /nfs/dbraw/zinc/60/76/82/556607682.db2.gz NEGSUUPTQIGUTN-MRXNPFEDSA-N 1 0 431.562 2.606 50 0 IFAARO COc1ccc(/C=C/C(=O)NCC(=O)N2CCC([N@H+](C)C3CCCC3)CC2)cc1OC ZINC000005057784 556627965 /nfs/dbraw/zinc/62/79/65/556627965.db2.gz WVPAZGGDQCZPCM-PKNBQFBNSA-N 1 0 429.561 2.699 50 0 IFAARO CCc1nn(CC(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)c2cc3sccc3n21 ZINC000005109076 556636314 /nfs/dbraw/zinc/63/63/14/556636314.db2.gz MRVVRSJGPWWYAD-UHFFFAOYSA-N 1 0 427.574 2.750 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000409414899 556641299 /nfs/dbraw/zinc/64/12/99/556641299.db2.gz YIDXDQPJEVULJJ-KMDXXIMOSA-N 1 0 441.616 2.817 50 0 IFAARO CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cc2cc(F)ccc2[nH]1 ZINC000011815109 556658205 /nfs/dbraw/zinc/65/82/05/556658205.db2.gz FQMLZQVEPYXATR-NRFANRHFSA-N 1 0 438.503 2.713 50 0 IFAARO CCC[NH+]1CCN(C(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)CC1 ZINC000033012116 556660758 /nfs/dbraw/zinc/66/07/58/556660758.db2.gz JYCJSVMGQKBTSS-UHFFFAOYSA-N 1 0 429.524 2.865 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998729 556679694 /nfs/dbraw/zinc/67/96/94/556679694.db2.gz HGBDPWMWCRJUSY-LJQANCHMSA-N 1 0 445.541 2.693 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000252676181 556694421 /nfs/dbraw/zinc/69/44/21/556694421.db2.gz WGXOMGVFFROYDG-OXQOHEQNSA-N 1 0 433.549 2.716 50 0 IFAARO O=C(CN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000033032808 556713217 /nfs/dbraw/zinc/71/32/17/556713217.db2.gz DJBZVYVZHFTDBU-UHFFFAOYSA-N 1 0 434.309 2.662 50 0 IFAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)c1 ZINC000033032794 556713262 /nfs/dbraw/zinc/71/32/62/556713262.db2.gz LMUFBBQIKPYESX-UHFFFAOYSA-N 1 0 430.346 2.832 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033638 556714590 /nfs/dbraw/zinc/71/45/90/556714590.db2.gz UCBASLUZPWWFEV-UHFFFAOYSA-N 1 0 430.574 2.524 50 0 IFAARO CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000033033955 556715158 /nfs/dbraw/zinc/71/51/58/556715158.db2.gz VUIMFHCRNLDWCK-QGZVFWFLSA-N 1 0 430.574 2.734 50 0 IFAARO Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)NC2CCCC2)ccc1N1CC[NH2+]CC1 ZINC000033034277 556715825 /nfs/dbraw/zinc/71/58/25/556715825.db2.gz QFMWLRXHKYOYBR-UHFFFAOYSA-N 1 0 442.585 2.878 50 0 IFAARO CC(C)c1ccc(CNC(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)cc1 ZINC000033034450 556716764 /nfs/dbraw/zinc/71/67/64/556716764.db2.gz RBWYSEXMMOKZPC-UHFFFAOYSA-N 1 0 430.574 2.521 50 0 IFAARO Cc1cccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033034345 556716771 /nfs/dbraw/zinc/71/67/71/556716771.db2.gz NNRUBPHHZKHAKU-UHFFFAOYSA-N 1 0 430.574 2.591 50 0 IFAARO O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055036154 556732377 /nfs/dbraw/zinc/73/23/77/556732377.db2.gz YZUBXRWRTVDOCJ-OAQYLSRUSA-N 1 0 425.504 2.910 50 0 IFAARO O=C(CCCN1CCCC1=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055211468 556738001 /nfs/dbraw/zinc/73/80/01/556738001.db2.gz JNYQXCBPKUYCRU-NRFANRHFSA-N 1 0 432.996 2.856 50 0 IFAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)CC1 ZINC000055245134 556738615 /nfs/dbraw/zinc/73/86/15/556738615.db2.gz ZCIMBUORWUHLGO-LJQANCHMSA-N 1 0 431.540 2.658 50 0 IFAARO CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166282 556766474 /nfs/dbraw/zinc/76/64/74/556766474.db2.gz BWKPGIDAJORUFY-XUZZJYLKSA-N 1 0 443.636 2.629 50 0 IFAARO O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058167926 556767017 /nfs/dbraw/zinc/76/70/17/556767017.db2.gz OOFROAOSUPSVCJ-OFNKIYASSA-N 1 0 433.556 2.635 50 0 IFAARO COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000058297944 556778231 /nfs/dbraw/zinc/77/82/31/556778231.db2.gz UNEKBJMSFMJSAV-NRFANRHFSA-N 1 0 428.533 2.823 50 0 IFAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000058372987 556783688 /nfs/dbraw/zinc/78/36/88/556783688.db2.gz VAJHAJQPJYMCKY-INIZCTEOSA-N 1 0 445.541 2.564 50 0 IFAARO CN(C[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058393240 556785044 /nfs/dbraw/zinc/78/50/44/556785044.db2.gz KFIQZDNQCPWLPC-QHCPKHFHSA-N 1 0 436.604 2.577 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CCS4)cn2)CC1 ZINC000058441634 556789257 /nfs/dbraw/zinc/78/92/57/556789257.db2.gz DMQPZBLBVXRCTR-UHFFFAOYSA-N 1 0 425.558 2.588 50 0 IFAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)CC)cc2)CC1 ZINC000059060657 556794573 /nfs/dbraw/zinc/79/45/73/556794573.db2.gz VZXCKBWWBAYGPR-UHFFFAOYSA-N 1 0 429.586 2.548 50 0 IFAARO CC(=O)N1c2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccccc3F)cc2C[C@H]1C ZINC000059746232 556803950 /nfs/dbraw/zinc/80/39/50/556803950.db2.gz BPTAFGJYMGLVHJ-MRXNPFEDSA-N 1 0 433.549 2.876 50 0 IFAARO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000060378111 556807409 /nfs/dbraw/zinc/80/74/09/556807409.db2.gz LASWNUKUMMVAQT-SFHVURJKSA-N 1 0 427.520 2.825 50 0 IFAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(C)[nH+]1 ZINC000064800707 556827581 /nfs/dbraw/zinc/82/75/81/556827581.db2.gz RAMIBLVLGNYLCM-UHFFFAOYSA-N 1 0 429.468 2.747 50 0 IFAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)[nH+]1 ZINC000065362035 556834094 /nfs/dbraw/zinc/83/40/94/556834094.db2.gz NGLXFFKRDJZSFY-UHFFFAOYSA-N 1 0 433.553 2.734 50 0 IFAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)CC1 ZINC000019635483 556834748 /nfs/dbraw/zinc/83/47/48/556834748.db2.gz DTMGVDWBNKLNRX-JOCHJYFZSA-N 1 0 425.573 2.853 50 0 IFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)N1CCN(c2ccccc2)CC1 ZINC000072406418 556843062 /nfs/dbraw/zinc/84/30/62/556843062.db2.gz MCDPZWZQJRDCBZ-UHFFFAOYSA-N 1 0 425.529 2.743 50 0 IFAARO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067604284 556843537 /nfs/dbraw/zinc/84/35/37/556843537.db2.gz XZGBMPOZQOPVHM-UHFFFAOYSA-N 1 0 446.573 2.655 50 0 IFAARO CC(=O)N1CCCc2cc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000033077324 556854491 /nfs/dbraw/zinc/85/44/91/556854491.db2.gz YOUUYRSPHYMTJE-UHFFFAOYSA-N 1 0 427.570 2.712 50 0 IFAARO O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033129019 556866151 /nfs/dbraw/zinc/86/61/51/556866151.db2.gz SGNBUITXZBDCBZ-UHFFFAOYSA-N 1 0 425.552 2.766 50 0 IFAARO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCC[NH+]1CCCCC1 ZINC000033254675 556891137 /nfs/dbraw/zinc/89/11/37/556891137.db2.gz HUVWTWOZRLALNR-UHFFFAOYSA-N 1 0 427.998 2.733 50 0 IFAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCc2ccccn2)C[C@H](C)O1 ZINC000019758338 556902061 /nfs/dbraw/zinc/90/20/61/556902061.db2.gz OJXOGIGVVYSCFS-IYBDPMFKSA-N 1 0 427.936 2.964 50 0 IFAARO Nc1nc(CN2CC[NH+](CCc3ccccc3)CC2)nc(N2CCCc3ccccc32)n1 ZINC000019899220 556941410 /nfs/dbraw/zinc/94/14/10/556941410.db2.gz WQRBWFNKKZYHMM-UHFFFAOYSA-N 1 0 429.572 2.898 50 0 IFAARO COc1cccc(OCCOC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019938590 556952519 /nfs/dbraw/zinc/95/25/19/556952519.db2.gz YDRHHGWWKANBLI-OAQYLSRUSA-N 1 0 434.964 2.923 50 0 IFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000020109697 556984864 /nfs/dbraw/zinc/98/48/64/556984864.db2.gz PZNRZTRXERHAJQ-PMACEKPBSA-N 1 0 432.948 2.988 50 0 IFAARO CSc1ncc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020387396 557012495 /nfs/dbraw/zinc/01/24/95/557012495.db2.gz SMPLUGVNMYOXFB-HXUWFJFHSA-N 1 0 441.601 2.709 50 0 IFAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000017246018 557044345 /nfs/dbraw/zinc/04/43/45/557044345.db2.gz WCUIJYRCGNRQAQ-UHFFFAOYSA-N 1 0 429.517 2.745 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000048235182 557046761 /nfs/dbraw/zinc/04/67/61/557046761.db2.gz SEKBMIBQVGZONJ-QZTJIDSGSA-N 1 0 433.574 2.856 50 0 IFAARO COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000022926126 557048664 /nfs/dbraw/zinc/04/86/64/557048664.db2.gz QPTPJITTXSHPBV-IBGZPJMESA-N 1 0 426.001 2.796 50 0 IFAARO Cc1csc2nc(C[NH+]3CCC(C(=O)NCCc4ccccc4F)CC3)cc(=O)n12 ZINC000048287457 557053288 /nfs/dbraw/zinc/05/32/88/557053288.db2.gz YSAFYCLJHMISNV-UHFFFAOYSA-N 1 0 428.533 2.774 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NCC(C)C)c2)c(C)c1 ZINC000033275419 557054427 /nfs/dbraw/zinc/05/44/27/557054427.db2.gz FGURXVIJYZGUOQ-UHFFFAOYSA-N 1 0 444.601 2.900 50 0 IFAARO CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022961926 557054878 /nfs/dbraw/zinc/05/48/78/557054878.db2.gz WBMCDQRDTOUATK-QHCPKHFHSA-N 1 0 441.597 2.544 50 0 IFAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(F)c(Br)c2)cc1)N1CCOCC1 ZINC000017317504 557057590 /nfs/dbraw/zinc/05/75/90/557057590.db2.gz WQAYPYBIBSDPTI-UHFFFAOYSA-N 1 0 443.338 2.899 50 0 IFAARO CCN(CC[NH+](CC)CC)[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000023353624 557086742 /nfs/dbraw/zinc/08/67/42/557086742.db2.gz BDRAWSPWUHQZGT-FQEVSTJZSA-N 1 0 433.641 2.533 50 0 IFAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)c1C ZINC000085620901 557102607 /nfs/dbraw/zinc/10/26/07/557102607.db2.gz CTNZDIZOUUWMPW-LJQANCHMSA-N 1 0 446.592 2.653 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCC[N@H+](C)C3CCCCC3)C2)c1C ZINC000085621265 557102857 /nfs/dbraw/zinc/10/28/57/557102857.db2.gz WNHLJMCMYYBITG-SFHVURJKSA-N 1 0 446.592 2.651 50 0 IFAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000023731890 557111604 /nfs/dbraw/zinc/11/16/04/557111604.db2.gz UBHKAWXCKFIDPA-FQEVSTJZSA-N 1 0 425.573 2.911 50 0 IFAARO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000023848018 557120625 /nfs/dbraw/zinc/12/06/25/557120625.db2.gz WNGJNRUBFHAFIM-SANMLTNESA-N 1 0 441.535 2.851 50 0 IFAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791820 557125496 /nfs/dbraw/zinc/12/54/96/557125496.db2.gz LSLXTBQKBXEZKX-OALUTQOASA-N 1 0 448.567 2.925 50 0 IFAARO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000024760786 557135195 /nfs/dbraw/zinc/13/51/95/557135195.db2.gz XLHGEUTXDSFDFO-OAHLLOKOSA-N 1 0 444.498 2.835 50 0 IFAARO COc1cc(OCC(=O)N2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000095696419 557159934 /nfs/dbraw/zinc/15/99/34/557159934.db2.gz OIZFACGVQRLYET-GOSISDBHSA-N 1 0 428.529 2.867 50 0 IFAARO COc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c2C(F)(F)F)nn1 ZINC000025332287 557204792 /nfs/dbraw/zinc/20/47/92/557204792.db2.gz RFEBQIJZETVGTO-ZDUSSCGKSA-N 1 0 440.451 2.784 50 0 IFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000583647574 557241304 /nfs/dbraw/zinc/24/13/04/557241304.db2.gz LIIMDHOYZVIGII-NSHGMRRFSA-N 1 0 427.545 2.534 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000101265021 557268626 /nfs/dbraw/zinc/26/86/26/557268626.db2.gz RPEYWJZYNISSLF-SUWCGCSTSA-N 1 0 425.485 2.504 50 0 IFAARO O=C(COc1cccc(NC(=O)C2CC2)c1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000031238987 557283950 /nfs/dbraw/zinc/28/39/50/557283950.db2.gz CDOMEGIRJKCXCT-UHFFFAOYSA-N 1 0 436.556 2.742 50 0 IFAARO CC(=O)N(CCCn1ccnc1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CC[NH+](C)CC1 ZINC000033592252 557415846 /nfs/dbraw/zinc/41/58/46/557415846.db2.gz DDQREQHSDDJVIU-UHFFFAOYSA-N 1 0 436.560 2.717 50 0 IFAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccccc1OC ZINC000103408201 557435955 /nfs/dbraw/zinc/43/59/55/557435955.db2.gz XCMQIPMECOAHKR-HXUWFJFHSA-N 1 0 444.557 2.511 50 0 IFAARO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318356 557469842 /nfs/dbraw/zinc/46/98/42/557469842.db2.gz IRJDNGXKISATNW-QFIPXVFZSA-N 1 0 426.561 2.726 50 0 IFAARO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318317 557469892 /nfs/dbraw/zinc/46/98/92/557469892.db2.gz PSLCRODNKQRPPA-QFIPXVFZSA-N 1 0 426.561 2.726 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000013128793 557521350 /nfs/dbraw/zinc/52/13/50/557521350.db2.gz SOWFAYDYJAUDDB-WIYYLYMNSA-N 1 0 434.540 2.622 50 0 IFAARO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000107536368 557536065 /nfs/dbraw/zinc/53/60/65/557536065.db2.gz CHOYRQQNFAAZKE-DENIHFKCSA-N 1 0 439.512 2.724 50 0 IFAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040150043 557703780 /nfs/dbraw/zinc/70/37/80/557703780.db2.gz VKIXIZOGQGDBQR-HXUWFJFHSA-N 1 0 430.574 2.929 50 0 IFAARO C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000003310136 562934063 /nfs/dbraw/zinc/93/40/63/562934063.db2.gz XHNFEZPKWCWRQW-NSHDSACASA-N 1 0 441.903 2.578 50 0 IFAARO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000003359460 562934755 /nfs/dbraw/zinc/93/47/55/562934755.db2.gz KFLVJPKNHSCIEK-QFIPXVFZSA-N 1 0 445.585 2.903 50 0 IFAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004111160 562942061 /nfs/dbraw/zinc/94/20/61/562942061.db2.gz IMUYRHYEPBBRIX-JOCHJYFZSA-N 1 0 435.634 2.509 50 0 IFAARO COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CS[C@H]21 ZINC000004295713 562943085 /nfs/dbraw/zinc/94/30/85/562943085.db2.gz KZZYZKIFZWAXDW-VBKZILBWSA-N 1 0 433.574 2.699 50 0 IFAARO O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006577242 562947534 /nfs/dbraw/zinc/94/75/34/562947534.db2.gz XFCXXJFUWKEXKR-UHFFFAOYSA-N 1 0 434.540 2.641 50 0 aggregator IFAARO COc1ccccc1[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000009119838 562967364 /nfs/dbraw/zinc/96/73/64/562967364.db2.gz FXHHGGZMDGCIJV-NRFANRHFSA-N 1 0 445.585 2.577 50 0 IFAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1C ZINC000009301168 562969085 /nfs/dbraw/zinc/96/90/85/562969085.db2.gz IKAQWFXNOAXNRN-UHFFFAOYSA-N 1 0 439.965 2.656 50 0 IFAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cn1C ZINC000009301176 562969099 /nfs/dbraw/zinc/96/90/99/562969099.db2.gz WWNPPBAHFNJMNK-UHFFFAOYSA-N 1 0 433.574 2.619 50 0 IFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009671475 562975094 /nfs/dbraw/zinc/97/50/94/562975094.db2.gz OFMWKKISVRUFGC-UHFFFAOYSA-N 1 0 445.585 2.535 50 0 IFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O ZINC000009727621 562976201 /nfs/dbraw/zinc/97/62/01/562976201.db2.gz WWRJPMQLYVQMSK-FQEVSTJZSA-N 1 0 436.560 2.637 50 0 IFAARO COc1ccc(F)c(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1 ZINC000011976815 562980066 /nfs/dbraw/zinc/98/00/66/562980066.db2.gz UFQAZDRZKASSBP-LJQANCHMSA-N 1 0 430.524 2.820 50 0 IFAARO COCCN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)C(C)C ZINC000012055799 562980580 /nfs/dbraw/zinc/98/05/80/562980580.db2.gz JGQPTHSRRHRYCU-DEOSSOPVSA-N 1 0 437.584 2.892 50 0 IFAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1 ZINC000014977503 563017184 /nfs/dbraw/zinc/01/71/84/563017184.db2.gz SAYKQCUGAHFYRQ-DEOSSOPVSA-N 1 0 435.568 2.552 50 0 IFAARO Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CCC[NH+]1CCOCC1 ZINC000019939341 563023354 /nfs/dbraw/zinc/02/33/54/563023354.db2.gz FWEXZWAZXGJXDP-UHFFFAOYSA-N 1 0 444.539 2.819 50 0 IFAARO O=c1cc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 ZINC000058062239 563143317 /nfs/dbraw/zinc/14/33/17/563143317.db2.gz JHNXFLXCVYNZER-UHFFFAOYSA-N 1 0 441.329 2.611 50 0 IFAARO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H](C)[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000106141846 568625112 /nfs/dbraw/zinc/62/51/12/568625112.db2.gz WFTCTBMYTZPMNR-LNLFQRSKSA-N 1 0 433.597 2.563 50 0 IFAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]CCOc4ccccn4)cc3)cc2n(C)c1=O ZINC000248066847 568633791 /nfs/dbraw/zinc/63/37/91/568633791.db2.gz WJCAKPDHECIXFN-HSZRJFAPSA-N 1 0 448.523 2.553 50 0 IFAARO O=CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000261492734 568734767 /nfs/dbraw/zinc/73/47/67/568734767.db2.gz XRNVQXKVBYEZSW-LJQANCHMSA-N 1 0 449.530 2.677 50 0 IFAARO COC(=O)c1sccc1S(=O)(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000043954336 568744306 /nfs/dbraw/zinc/74/43/06/568744306.db2.gz RHZHUTFAJXIRKX-UHFFFAOYSA-N 1 0 426.560 2.935 50 0 IFAARO Cc1cc(C[NH+]2CCC(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c(C)o1 ZINC000043972861 568744765 /nfs/dbraw/zinc/74/47/65/568744765.db2.gz IXDIROCFVZSBRK-UHFFFAOYSA-N 1 0 433.574 2.789 50 0 IFAARO CC[NH+](CC)CCN(C)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O ZINC000299761070 568755733 /nfs/dbraw/zinc/75/57/33/568755733.db2.gz QWOSRYUOJFYRCM-VWLOTQADSA-N 1 0 445.604 2.928 50 0 IFAARO Cc1nonc1N1CC[NH+](C2CCN(c3cccc(NC(=O)c4cccnc4)c3)CC2)CC1 ZINC000299765442 568756158 /nfs/dbraw/zinc/75/61/58/568756158.db2.gz GXLBIRXMBWKNBI-UHFFFAOYSA-N 1 0 447.543 2.816 50 0 IFAARO Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC000299780204 568756952 /nfs/dbraw/zinc/75/69/52/568756952.db2.gz RXQGWWZTFGOFAW-NRFANRHFSA-N 1 0 426.586 2.679 50 0 IFAARO CC[NH+](CC)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000015339529 568758373 /nfs/dbraw/zinc/75/83/73/568758373.db2.gz UUHOIGDAIYBEHM-UHFFFAOYSA-N 1 0 435.512 2.564 50 0 IFAARO COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3CO2)cc1 ZINC000263616114 568776874 /nfs/dbraw/zinc/77/68/74/568776874.db2.gz HDNHYUQFCQUUNY-OAQYLSRUSA-N 1 0 425.533 2.649 50 0 IFAARO CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000015671225 568802306 /nfs/dbraw/zinc/80/23/06/568802306.db2.gz OLABQUWJLAMTCW-UHFFFAOYSA-N 1 0 433.578 2.541 50 0 IFAARO O=C(CN(Cc1ccc(F)cc1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000015864116 568849468 /nfs/dbraw/zinc/84/94/68/568849468.db2.gz ZTKGFMRRKHONKP-UHFFFAOYSA-N 1 0 434.309 2.662 50 0 IFAARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015956896 568859867 /nfs/dbraw/zinc/85/98/67/568859867.db2.gz NBMWEVOYVRVNLE-PBQROFAYSA-N 1 0 431.492 2.689 50 0 IFAARO O=C(c1ccc(OC(F)F)cc1)C(C(=S)NCCN1CCOCC1)[n+]1ccccc1 ZINC000025228900 568895475 /nfs/dbraw/zinc/89/54/75/568895475.db2.gz PGYBFILOODCSAF-UHFFFAOYSA-O 1 0 436.504 2.709 50 0 IFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000013012956 568901266 /nfs/dbraw/zinc/90/12/66/568901266.db2.gz KXJMCMDAQWRQKX-XMMPIXPASA-N 1 0 440.519 2.751 50 0 IFAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036102087 568952514 /nfs/dbraw/zinc/95/25/14/568952514.db2.gz VWRSHTRHDIRHOC-NRFANRHFSA-N 1 0 434.964 2.923 50 0 IFAARO Cc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799878 568961273 /nfs/dbraw/zinc/96/12/73/568961273.db2.gz ONERHALKGVSPID-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO C[NH+](C)CCn1c2c3c(sc2c(=O)n(CCc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000006764379 568978831 /nfs/dbraw/zinc/97/88/31/568978831.db2.gz FOANGKYXPWSQSO-UHFFFAOYSA-N 1 0 427.570 2.880 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COC ZINC000169680378 568990829 /nfs/dbraw/zinc/99/08/29/568990829.db2.gz JQDYTOHLOJDEGP-UYAOXDASSA-N 1 0 432.586 2.891 50 0 IFAARO CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036311005 568996806 /nfs/dbraw/zinc/99/68/06/568996806.db2.gz VUVHDOWSAMSQCW-QFIPXVFZSA-N 1 0 429.609 2.853 50 0 IFAARO CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000064958074 568999281 /nfs/dbraw/zinc/99/92/81/568999281.db2.gz FETADDHMKAVFRQ-IBGZPJMESA-N 1 0 445.589 2.538 50 0 IFAARO CCC[NH+]1CCN(C(=O)CN2c3ccccc3N(C(=O)Nc3ccc(C)cc3)CC2=O)CC1 ZINC000064971437 569076244 /nfs/dbraw/zinc/07/62/44/569076244.db2.gz HNYOPTBPAWOIMU-UHFFFAOYSA-N 1 0 449.555 2.934 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c2=O ZINC000064970743 569076353 /nfs/dbraw/zinc/07/63/53/569076353.db2.gz XRQZYIDYSCXCNU-KRWDZBQOSA-N 1 0 436.560 2.580 50 0 IFAARO COc1ccc(C(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000065025423 569090674 /nfs/dbraw/zinc/09/06/74/569090674.db2.gz IBLMTWIXMPHRTP-UHFFFAOYSA-N 1 0 437.544 2.624 50 0 IFAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000036384052 569092783 /nfs/dbraw/zinc/09/27/83/569092783.db2.gz FNGZRGLXURCRQV-JOCHJYFZSA-N 1 0 444.620 2.671 50 0 IFAARO C[C@H](C(=O)NCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062293 569097498 /nfs/dbraw/zinc/09/74/98/569097498.db2.gz CBLCOIJASUIFLJ-AWEZNQCLSA-N 1 0 434.027 2.650 50 0 IFAARO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC000036396021 569098840 /nfs/dbraw/zinc/09/88/40/569098840.db2.gz OVYRRBNXCLZVKD-UHFFFAOYSA-N 1 0 430.508 2.975 50 0 IFAARO Cc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)c1 ZINC000065074894 569099274 /nfs/dbraw/zinc/09/92/74/569099274.db2.gz UPQGLKXSTDPAEO-UHFFFAOYSA-N 1 0 440.613 2.927 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(C)cc2)cc1 ZINC000065074869 569099336 /nfs/dbraw/zinc/09/93/36/569099336.db2.gz LXMWAXMETAKAIQ-UHFFFAOYSA-N 1 0 440.613 2.872 50 0 IFAARO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036397130 569100127 /nfs/dbraw/zinc/10/01/27/569100127.db2.gz FDUAKCIKOGHYFJ-GOSISDBHSA-N 1 0 429.586 2.615 50 0 IFAARO CC1CC[NH+](CCCNC(=O)c2nc(Cn3c(=O)oc4ccc(Cl)cc43)no2)CC1 ZINC000065111839 569107816 /nfs/dbraw/zinc/10/78/16/569107816.db2.gz UIXBUYRWUCHNFR-UHFFFAOYSA-N 1 0 433.896 2.531 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(C)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153522 569111939 /nfs/dbraw/zinc/11/19/39/569111939.db2.gz QRJOANRYQHEHPS-UHFFFAOYSA-N 1 0 430.552 2.989 50 0 IFAARO CC(C)c1nc(-c2cccnc2SCC(=O)N2CCN(C3CC[NH+](C)CC3)CC2)no1 ZINC000065211378 569116445 /nfs/dbraw/zinc/11/64/45/569116445.db2.gz DSYUQAKXUUSOPF-UHFFFAOYSA-N 1 0 444.605 2.586 50 0 IFAARO O=C(NCc1cnn(-c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c1)C1CC1 ZINC000065213154 569116886 /nfs/dbraw/zinc/11/68/86/569116886.db2.gz SMPULRXESIKDQK-UHFFFAOYSA-N 1 0 435.572 2.989 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259843 569124847 /nfs/dbraw/zinc/12/48/47/569124847.db2.gz HPMDXGAAGUPMJB-NRFANRHFSA-N 1 0 448.633 2.645 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000524730977 569126325 /nfs/dbraw/zinc/12/63/25/569126325.db2.gz FIRDITIOSQAVEQ-JTHBVZDNSA-N 1 0 444.620 2.642 50 0 IFAARO O=S(=O)(c1cccnc1)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265717 569127353 /nfs/dbraw/zinc/12/73/53/569127353.db2.gz PRJSZVMJIKYWQO-HSZRJFAPSA-N 1 0 448.552 2.945 50 0 IFAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000065272848 569129259 /nfs/dbraw/zinc/12/92/59/569129259.db2.gz RTBZIVNODQQLME-GOSISDBHSA-N 1 0 433.618 2.564 50 0 IFAARO C[C@H](NC(=O)c1ccccc1CN1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000170591186 569140830 /nfs/dbraw/zinc/14/08/30/569140830.db2.gz JDNYXYVHOPMXQD-IBGZPJMESA-N 1 0 440.563 2.901 50 0 IFAARO CCN1CC[NH+](CCCCNC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000170594496 569141308 /nfs/dbraw/zinc/14/13/08/569141308.db2.gz DLLUTIZVUXZNMQ-UHFFFAOYSA-N 1 0 435.366 2.850 50 0 IFAARO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000014333583 569158628 /nfs/dbraw/zinc/15/86/28/569158628.db2.gz DVUMDQULNYOVSO-NFBKMPQASA-N 1 0 437.540 2.946 50 0 IFAARO O=c1[nH]c2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000089866515 569166369 /nfs/dbraw/zinc/16/63/69/569166369.db2.gz OVHVCBIAVNXTRM-UHFFFAOYSA-N 1 0 432.446 2.921 50 0 IFAARO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)NC(=O)N[C@H]1c1ccco1 ZINC000089978336 569169568 /nfs/dbraw/zinc/16/95/68/569169568.db2.gz CHOYRQQNFAAZKE-UGKGYDQZSA-N 1 0 439.512 2.724 50 0 IFAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c(OC)c1 ZINC000017012389 569170658 /nfs/dbraw/zinc/17/06/58/569170658.db2.gz YXLRJMQCWQXPRE-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCCc2ccccc21 ZINC000252443950 569183824 /nfs/dbraw/zinc/18/38/24/569183824.db2.gz BYPPENLLCHBPQV-OFVILXPXSA-N 1 0 434.540 2.970 50 0 IFAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831836 569189687 /nfs/dbraw/zinc/18/96/87/569189687.db2.gz TWHKOFPCSZJLQK-UHFFFAOYSA-N 1 0 443.567 2.847 50 0 IFAARO CN(CC(=O)NCC[NH+](C)C)C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037427347 569195929 /nfs/dbraw/zinc/19/59/29/569195929.db2.gz UDAOLLAVQMCYPN-UHFFFAOYSA-N 1 0 429.468 2.655 50 0 IFAARO C[NH+](C)CCN(C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037609439 569202911 /nfs/dbraw/zinc/20/29/11/569202911.db2.gz ZTYKTEISCBIULR-OAQYLSRUSA-N 1 0 431.483 2.510 50 0 IFAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)c(OC)c1 ZINC000581820231 569211909 /nfs/dbraw/zinc/21/19/09/569211909.db2.gz ZVPDWSNSLYURGJ-HXUWFJFHSA-N 1 0 445.604 2.884 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccc(C)cc12 ZINC000253488171 569283165 /nfs/dbraw/zinc/28/31/65/569283165.db2.gz YSPQCOHYEDVYBI-YAYRXMPBSA-N 1 0 429.904 2.802 50 0 IFAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000013039927 569307923 /nfs/dbraw/zinc/30/79/23/569307923.db2.gz HKQWSTXFVOWWOD-ZDUSSCGKSA-N 1 0 425.938 2.888 50 0 IFAARO Cc1cccn2c(=O)cc(CSCC[N@@H+](C)Cc3cc(=O)n4cccc(C)c4n3)nc12 ZINC000328593560 569317422 /nfs/dbraw/zinc/31/74/22/569317422.db2.gz IVTYCYQNMDNNLR-UHFFFAOYSA-N 1 0 435.553 2.684 50 0 IFAARO Cn1ccnc1[C@](O)(CCNC(=O)c1cn(CC[NH+](C)C)c2ccccc12)C(F)(F)F ZINC000078720240 569318572 /nfs/dbraw/zinc/31/85/72/569318572.db2.gz HXHSXRRWLFRDSS-HXUWFJFHSA-N 1 0 437.466 2.506 50 0 IFAARO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C)c(I)c2)CC1 ZINC000095348994 569361613 /nfs/dbraw/zinc/36/16/13/569361613.db2.gz ZNZHXOVDFYCOGZ-UHFFFAOYSA-N 1 0 444.313 2.605 50 0 IFAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCCN4CC[NH+](C)CC4)C3)sc2c1 ZINC000020383556 569362744 /nfs/dbraw/zinc/36/27/44/569362744.db2.gz HZDZNILIUSYJQU-SFHVURJKSA-N 1 0 445.633 2.665 50 0 IFAARO CCC[NH+]1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccc(C)cc4)c(C)c3c2=O)CC1 ZINC000020417119 569364803 /nfs/dbraw/zinc/36/48/03/569364803.db2.gz KZJZCRZGPJAORS-UHFFFAOYSA-N 1 0 435.572 2.726 50 0 IFAARO CN1C(=O)C[C@@H](C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000095441796 569366753 /nfs/dbraw/zinc/36/67/53/569366753.db2.gz LQQQNNHDHNHXBN-CTNGQTDRSA-N 1 0 433.980 2.820 50 0 IFAARO COc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1I ZINC000095444726 569367121 /nfs/dbraw/zinc/36/71/21/569367121.db2.gz JQAWFGOOTOGFCJ-FRRDWIJNSA-N 1 0 431.318 2.791 50 0 IFAARO CC(C)[C@H](C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)N1CCCC1=O ZINC000095460264 569369638 /nfs/dbraw/zinc/36/96/38/569369638.db2.gz GMDLLBWOFMZYRL-JXALWOEJSA-N 1 0 429.605 2.959 50 0 IFAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000096011736 569379914 /nfs/dbraw/zinc/37/99/14/569379914.db2.gz BGSKLVSNAOEQGL-DNVJHFABSA-N 1 0 427.589 2.688 50 0 IFAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1cc(-c2cccs2)n[nH]1 ZINC000096024208 569380457 /nfs/dbraw/zinc/38/04/57/569380457.db2.gz ZURPTJUTMYRIKF-UHFFFAOYSA-N 1 0 448.552 2.874 50 0 IFAARO O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096230907 569387425 /nfs/dbraw/zinc/38/74/25/569387425.db2.gz AHGLDBDJWXRFGQ-QFIPXVFZSA-N 1 0 434.540 2.668 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O ZINC000096372495 569397939 /nfs/dbraw/zinc/39/79/39/569397939.db2.gz YLCIZOZOGYYEIF-SFHVURJKSA-N 1 0 446.555 2.692 50 0 IFAARO Cn1ncc2c3ccccc3n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1=O ZINC000096399009 569399836 /nfs/dbraw/zinc/39/98/36/569399836.db2.gz LPZWNOGMKNERHY-UHFFFAOYSA-N 1 0 429.524 2.669 50 0 IFAARO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400180 569400353 /nfs/dbraw/zinc/40/03/53/569400353.db2.gz AOOLEIAQZGOAGI-HNNXBMFYSA-N 1 0 425.558 2.819 50 0 IFAARO CCC(CC)C(=O)NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000056965549 569428664 /nfs/dbraw/zinc/42/86/64/569428664.db2.gz KWINIXGKKHPEMZ-UHFFFAOYSA-N 1 0 435.576 2.701 50 0 IFAARO O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504150020 569442921 /nfs/dbraw/zinc/44/29/21/569442921.db2.gz SKWJBGKZNLROEU-WDSOQIARSA-N 1 0 432.952 2.531 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2C)CC1 ZINC000057948782 569443367 /nfs/dbraw/zinc/44/33/67/569443367.db2.gz ZWZRGNJXHNNYFT-UHFFFAOYSA-N 1 0 435.616 2.893 50 0 IFAARO CN(CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003439253 569451083 /nfs/dbraw/zinc/45/10/83/569451083.db2.gz IQBXTPDWUBAFOA-KRWDZBQOSA-N 1 0 425.938 2.507 50 0 IFAARO Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N2CCC[N@H+](C)CC2)cc1 ZINC000003448995 569451564 /nfs/dbraw/zinc/45/15/64/569451564.db2.gz VBOJGGXJPWRCRY-UHFFFAOYSA-N 1 0 425.558 2.905 50 0 IFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)COc2ccc(Cl)cc2Cl)[nH+]1 ZINC000038488296 569463030 /nfs/dbraw/zinc/46/30/30/569463030.db2.gz IPOLACYMCCAJLG-UHFFFAOYSA-N 1 0 440.331 2.536 50 0 IFAARO Cc1c(C)n([C@@H](C)c2ccccc2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000008704212 569470281 /nfs/dbraw/zinc/47/02/81/569470281.db2.gz CNJSCSHZOCDKBN-IBGZPJMESA-N 1 0 448.571 2.861 50 0 IFAARO CCc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC[NH+]3CCCCC3)c(=O)n2C)cc1 ZINC000008706544 569470485 /nfs/dbraw/zinc/47/04/85/569470485.db2.gz YHCVZSYSMQWEHM-UHFFFAOYSA-N 1 0 448.571 2.804 50 0 IFAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+]CCCN1CCOCC1)C[C@H](C)CC2 ZINC000008709271 569470721 /nfs/dbraw/zinc/47/07/21/569470721.db2.gz LTTHSDCYRHEPRZ-CVEARBPZSA-N 1 0 437.606 2.689 50 0 IFAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CCNC(=O)Nc3ccc(OC)cc3)CC2)cc1 ZINC000040039606 569483318 /nfs/dbraw/zinc/48/33/18/569483318.db2.gz QYCWOXJFNMUBNK-UHFFFAOYSA-N 1 0 440.544 2.950 50 0 IFAARO C[C@H]1C[NH+](C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@H](C)O1 ZINC000040135640 569490682 /nfs/dbraw/zinc/49/06/82/569490682.db2.gz WHQIQMJLRWKJNF-NKQFANSYSA-N 1 0 431.621 2.809 50 0 IFAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1ccccc1Cl ZINC000008973532 569492782 /nfs/dbraw/zinc/49/27/82/569492782.db2.gz NNULSLSYZHCFKO-UHFFFAOYSA-N 1 0 440.935 2.586 50 0 IFAARO Cc1[nH]c(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)c(C)c1C(=O)OC(C)C ZINC000040152041 569493381 /nfs/dbraw/zinc/49/33/81/569493381.db2.gz ZZFWELMOPYOKQG-UHFFFAOYSA-N 1 0 427.549 2.664 50 0 IFAARO COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2)cc1 ZINC000040152073 569493394 /nfs/dbraw/zinc/49/33/94/569493394.db2.gz JUCRVOWLCMCLAN-QGZVFWFLSA-N 1 0 431.558 2.958 50 0 IFAARO COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc2)cc1 ZINC000040152072 569493411 /nfs/dbraw/zinc/49/34/11/569493411.db2.gz JUCRVOWLCMCLAN-KRWDZBQOSA-N 1 0 431.558 2.958 50 0 IFAARO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000040160078 569495069 /nfs/dbraw/zinc/49/50/69/569495069.db2.gz ULYAXDWUWJTKSD-UHFFFAOYSA-N 1 0 435.524 2.905 50 0 IFAARO COc1cccc(N2CC[NH+](C3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000244975253 569496686 /nfs/dbraw/zinc/49/66/86/569496686.db2.gz IIGMXHOLBDQBJK-DEOSSOPVSA-N 1 0 437.540 2.648 50 0 IFAARO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1ccsc1 ZINC000245225489 569499520 /nfs/dbraw/zinc/49/95/20/569499520.db2.gz VZTKCKDLXAETPI-JXFKEZNVSA-N 1 0 449.598 2.933 50 0 IFAARO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1 ZINC000245279014 569502049 /nfs/dbraw/zinc/50/20/49/569502049.db2.gz ALHDRLXCNNNHDW-GHTZIAJQSA-N 1 0 448.560 2.864 50 0 IFAARO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000069417655 569506219 /nfs/dbraw/zinc/50/62/19/569506219.db2.gz SZWKHHAQGJAIBP-UHFFFAOYSA-N 1 0 434.462 2.755 50 0 IFAARO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000009216838 569512200 /nfs/dbraw/zinc/51/22/00/569512200.db2.gz YTVYEGLKIAZKSM-GOSISDBHSA-N 1 0 447.557 2.640 50 0 IFAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(OC)c(OC)c2)N(CC[NH+](C)C)C1=O ZINC000009302728 569520870 /nfs/dbraw/zinc/52/08/70/569520870.db2.gz ZUBLKCODVOFPPL-NRFANRHFSA-N 1 0 438.480 2.926 50 0 IFAARO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000009473082 569539057 /nfs/dbraw/zinc/53/90/57/569539057.db2.gz RXDDTLIIRLNBIG-GOSISDBHSA-N 1 0 444.601 2.660 50 0 IFAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)c1ccccc1O2 ZINC000009494141 569540880 /nfs/dbraw/zinc/54/08/80/569540880.db2.gz RBTDROBTCLRASB-HXUWFJFHSA-N 1 0 432.524 2.960 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC ZINC000009637908 569554946 /nfs/dbraw/zinc/55/49/46/569554946.db2.gz UVZXHNJLGGEJKM-SFHVURJKSA-N 1 0 443.569 2.661 50 0 IFAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000009665359 569557501 /nfs/dbraw/zinc/55/75/01/569557501.db2.gz GJOLZHRPGPDNFT-IEBWSBKVSA-N 1 0 433.599 2.807 50 0 IFAARO COc1cccc([C@@H](C[NH2+]C[C@H](O)CN2CCOCC2)c2c[nH]c3ccccc32)c1OC ZINC000009729823 569564321 /nfs/dbraw/zinc/56/43/21/569564321.db2.gz KAVXKBBNRLRKNZ-GHTZIAJQSA-N 1 0 439.556 2.600 50 0 IFAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009789204 569568078 /nfs/dbraw/zinc/56/80/78/569568078.db2.gz SQTKFTOKFRMNTM-QFIPXVFZSA-N 1 0 445.585 2.619 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1 ZINC000009860863 569571912 /nfs/dbraw/zinc/57/19/12/569571912.db2.gz FTKQBQCHAGUHSS-BGYRXZFFSA-N 1 0 447.583 2.867 50 0 IFAARO O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009970177 569576159 /nfs/dbraw/zinc/57/61/59/569576159.db2.gz JQFAVMXASXBWNJ-UHFFFAOYSA-N 1 0 445.567 2.859 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000010109535 569577949 /nfs/dbraw/zinc/57/79/49/569577949.db2.gz SDRCOQBOWUDJOL-UHFFFAOYSA-N 1 0 429.586 2.843 50 0 IFAARO Cc1cc(CN2CCN(CC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)no1 ZINC000071810689 569581865 /nfs/dbraw/zinc/58/18/65/569581865.db2.gz CMXXHLBHZLOLKL-QFIPXVFZSA-N 1 0 445.995 2.707 50 0 IFAARO C[NH+](C)CCCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000078355151 569586656 /nfs/dbraw/zinc/58/66/56/569586656.db2.gz RRBRHBJGWXERAA-OAQYLSRUSA-N 1 0 449.617 2.786 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000105000605 569587057 /nfs/dbraw/zinc/58/70/57/569587057.db2.gz XBALYMARXGXHFW-REWPJTCUSA-N 1 0 432.653 2.870 50 0 IFAARO CC(C)CCNC(=O)[C@@]1(C)CCC(=O)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000021776491 569587148 /nfs/dbraw/zinc/58/71/48/569587148.db2.gz MLFFMORSKHDBIE-XMMPIXPASA-N 1 0 432.584 2.881 50 0 IFAARO Cc1nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)nc(N2CCOCC2)c1C ZINC000006869058 132279806 /nfs/dbraw/zinc/27/98/06/132279806.db2.gz RCMKLMNUXXBXEQ-UHFFFAOYSA-N 1 0 429.590 2.514 50 0 IFAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936169 132280036 /nfs/dbraw/zinc/28/00/36/132280036.db2.gz CUVYIXCDMMEDJY-SFHVURJKSA-N 1 0 427.597 2.617 50 0 IFAARO CC1CC[NH+](CCNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009211127 132308947 /nfs/dbraw/zinc/30/89/47/132308947.db2.gz TUIBRTRLXAMDLS-IBGZPJMESA-N 1 0 439.608 2.617 50 0 IFAARO O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697961 132339274 /nfs/dbraw/zinc/33/92/74/132339274.db2.gz DEGBGHJGQPVQLG-UHFFFAOYSA-N 1 0 429.278 2.933 50 0 IFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566959 518706066 /nfs/dbraw/zinc/70/60/66/518706066.db2.gz AQBCUPGBFSNXOC-XCBFCAQUSA-N 1 0 442.519 2.930 50 0 IFAARO CC(C)[N@H+](CCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1)Cc1ccccc1 ZINC000015777281 519642870 /nfs/dbraw/zinc/64/28/70/519642870.db2.gz ZUSDBGBTMNLXIN-UHFFFAOYSA-N 1 0 444.605 2.518 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(F)cc3)o2)CC1 ZINC000020515081 519858304 /nfs/dbraw/zinc/85/83/04/519858304.db2.gz KECRBCHCNZREEV-SSEXGKCCSA-N 1 0 435.565 2.874 50 0 IFAARO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000022892461 520458957 /nfs/dbraw/zinc/45/89/57/520458957.db2.gz XYEVPSAARMLIEA-QFIPXVFZSA-N 1 0 429.605 2.817 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991003 520514071 /nfs/dbraw/zinc/51/40/71/520514071.db2.gz VNQDDYLVBBHPQG-SFHVURJKSA-N 1 0 441.359 2.754 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557869 520514940 /nfs/dbraw/zinc/51/49/40/520514940.db2.gz WEEDSTHUSILZQA-QFIPXVFZSA-N 1 0 444.551 2.947 50 0 IFAARO CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2)CC1 ZINC000012593796 520573505 /nfs/dbraw/zinc/57/35/05/520573505.db2.gz KMEZECUKWRPSEY-UHFFFAOYSA-N 1 0 439.560 2.515 50 0 IFAARO CCOc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)ccc1OCC(=O)N(C)C ZINC000021841796 520722593 /nfs/dbraw/zinc/72/25/93/520722593.db2.gz CXTWKFGJUWIWFL-UHFFFAOYSA-N 1 0 441.572 2.674 50 0 IFAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1OC ZINC000021938323 520781919 /nfs/dbraw/zinc/78/19/19/520781919.db2.gz DTRHFRDDGYYCLF-UHFFFAOYSA-N 1 0 433.574 2.717 50 0 IFAARO CC1=C(C(=O)N2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)OCCO1 ZINC000012707644 520793624 /nfs/dbraw/zinc/79/36/24/520793624.db2.gz FRUFXPVAZYVYKU-JOCHJYFZSA-N 1 0 441.572 2.674 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)n2C)c1 ZINC000035561079 520814906 /nfs/dbraw/zinc/81/49/06/520814906.db2.gz CFPHYWPMLSVLAG-KRWDZBQOSA-N 1 0 434.606 2.813 50 0 IFAARO CCCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000021664338 521412272 /nfs/dbraw/zinc/41/22/72/521412272.db2.gz VWIMZARMKJGFCQ-UHFFFAOYSA-N 1 0 444.601 2.988 50 0 IFAARO CCOC(=O)c1ccc(CNCc2ccc(OC[C@@H](O)C[NH+](CC)CC)c(OC)c2)o1 ZINC000012456959 521477466 /nfs/dbraw/zinc/47/74/66/521477466.db2.gz MEKKGRKCJIZLEH-SFHVURJKSA-N 1 0 434.533 2.836 50 0 IFAARO CCOC(=O)c1n[nH]cc1CN1CCC[C@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000022914034 521596371 /nfs/dbraw/zinc/59/63/71/521596371.db2.gz AOPOQTVHDUCSAM-IBGZPJMESA-N 1 0 430.549 2.743 50 0 IFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCCc1ccncc1)C2 ZINC000014541726 521664680 /nfs/dbraw/zinc/66/46/80/521664680.db2.gz FDSQEAQYUAENEX-IBGZPJMESA-N 1 0 427.618 2.957 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000035561898 521679810 /nfs/dbraw/zinc/67/98/10/521679810.db2.gz GIAMSTZDSFSYDX-UHFFFAOYSA-N 1 0 439.604 2.554 50 0 IFAARO CCN1C[C@H](CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1=O ZINC000012448652 521729747 /nfs/dbraw/zinc/72/97/47/521729747.db2.gz QJOFVWNBQKAJSK-IBGZPJMESA-N 1 0 436.556 2.723 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 ZINC000012863029 522012236 /nfs/dbraw/zinc/01/22/36/522012236.db2.gz SDAMGKZYWOXNJE-KRWDZBQOSA-N 1 0 439.578 2.707 50 0 IFAARO CN(CCCC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)S(=O)(=O)c1cccs1 ZINC000022682985 522071170 /nfs/dbraw/zinc/07/11/70/522071170.db2.gz JQONYNGGCRYJFP-QGZVFWFLSA-N 1 0 427.567 2.707 50 0 IFAARO CN(CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012853736 522480420 /nfs/dbraw/zinc/48/04/20/522480420.db2.gz AZQBTAHTULTXBH-GOSISDBHSA-N 1 0 439.965 2.897 50 0 IFAARO CN(CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012853741 522480892 /nfs/dbraw/zinc/48/08/92/522480892.db2.gz AZQBTAHTULTXBH-SFHVURJKSA-N 1 0 439.965 2.897 50 0 IFAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(=O)n(C)n1 ZINC000012094330 522658842 /nfs/dbraw/zinc/65/88/42/522658842.db2.gz VWCOLGJYJMZYSP-UHFFFAOYSA-N 1 0 436.478 2.826 50 0 IFAARO CCc1nn(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000020862569 522702863 /nfs/dbraw/zinc/70/28/63/522702863.db2.gz VUDJGDDUSGRZKI-HOTGVXAUSA-N 1 0 429.590 2.757 50 0 IFAARO CCc1nn(CCCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2cc3oc(C)cc3n21 ZINC000020862496 522705535 /nfs/dbraw/zinc/70/55/35/522705535.db2.gz XGWJXTZTUDAMFA-INIZCTEOSA-N 1 0 427.549 2.884 50 0 IFAARO C[N@H+](CCCNC(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)Cc1ccccc1 ZINC000020574327 522759641 /nfs/dbraw/zinc/75/96/41/522759641.db2.gz CSBBYRAZFBVLQK-UHFFFAOYSA-N 1 0 449.486 2.829 50 0 IFAARO Cn1ncc2c3ccccc3n(CCCC(=O)NCC[N@H+](C)Cc3ccccc3)c2c1=O ZINC000035397010 522846280 /nfs/dbraw/zinc/84/62/80/522846280.db2.gz MMHMKHXUFCLFKK-UHFFFAOYSA-N 1 0 431.540 2.917 50 0 IFAARO C[N@H+](CCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)C1CCCCC1 ZINC000021944421 522850706 /nfs/dbraw/zinc/85/07/06/522850706.db2.gz GYLZVDUOHRAJPR-UHFFFAOYSA-N 1 0 448.567 2.592 50 0 IFAARO COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000014536169 523167880 /nfs/dbraw/zinc/16/78/80/523167880.db2.gz HFYGFNFAINWSCG-UHFFFAOYSA-N 1 0 445.560 2.556 50 0 IFAARO CCn1c2nnc(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)n2c2ccsc2c1=O ZINC000035528456 523296909 /nfs/dbraw/zinc/29/69/09/523296909.db2.gz CKAHHUZKMONCSF-UHFFFAOYSA-N 1 0 442.589 2.535 50 0 IFAARO CCn1ccnc1CN1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012302893 523530253 /nfs/dbraw/zinc/53/02/53/523530253.db2.gz YDZBOQOBRHMZRF-UHFFFAOYSA-N 1 0 433.984 2.891 50 0 IFAARO CCn1nc(C)c(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1C ZINC000012208296 523640172 /nfs/dbraw/zinc/64/01/72/523640172.db2.gz IWQABPQDCWJLBJ-UHFFFAOYSA-N 1 0 444.576 2.948 50 0 IFAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000022759635 523705433 /nfs/dbraw/zinc/70/54/33/523705433.db2.gz SRPZHVQRPOPRLV-INIZCTEOSA-N 1 0 437.587 2.574 50 0 IFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014534552 523799411 /nfs/dbraw/zinc/79/94/11/523799411.db2.gz OIULVONAGSFMOQ-UHFFFAOYSA-N 1 0 446.617 2.655 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)CC1 ZINC000012300440 523811850 /nfs/dbraw/zinc/81/18/50/523811850.db2.gz JOBMYKJLDGPOTK-IBGZPJMESA-N 1 0 430.549 2.958 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc3c(nc2OC)CCC3)CC1 ZINC000012718952 523813178 /nfs/dbraw/zinc/81/31/78/523813178.db2.gz LARCDFOEYBRIFW-HXUWFJFHSA-N 1 0 431.577 2.559 50 0 IFAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(F)cc2)CC1 ZINC000022796291 523917686 /nfs/dbraw/zinc/91/76/86/523917686.db2.gz MJZSUVSSNLFJSO-IBGZPJMESA-N 1 0 436.890 2.662 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000020757156 523945765 /nfs/dbraw/zinc/94/57/65/523945765.db2.gz KORZJRHCDXYWAD-JZKSTIEOSA-N 1 0 442.519 2.930 50 0 IFAARO COc1ccc(CN(C)Cc2ccccc2Cl)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020600296 524006226 /nfs/dbraw/zinc/00/62/26/524006226.db2.gz SJBCXGHCQUJWAP-OAQYLSRUSA-N 1 0 448.007 2.968 50 0 IFAARO COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012587446 524008474 /nfs/dbraw/zinc/00/84/74/524008474.db2.gz WIFSHSXAWKNMPS-QHCPKHFHSA-N 1 0 436.556 2.989 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000035804926 524020521 /nfs/dbraw/zinc/02/05/21/524020521.db2.gz YRMOPAGMKRTMFB-HJJDGDTKSA-N 1 0 447.535 2.889 50 0 IFAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000020358526 524023636 /nfs/dbraw/zinc/02/36/36/524023636.db2.gz LGWKUIYXXYLSPN-UHFFFAOYSA-N 1 0 428.533 2.852 50 0 IFAARO COc1ccc(C[NH+]2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)c2ccccc12 ZINC000012454996 524025212 /nfs/dbraw/zinc/02/52/12/524025212.db2.gz HUZYDSWCUHWKEK-UHFFFAOYSA-N 1 0 435.528 2.749 50 0 IFAARO COc1ccc(CNC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035485510 524045397 /nfs/dbraw/zinc/04/53/97/524045397.db2.gz SCZCOHIZVQWVAV-IWRZYZMASA-N 1 0 435.568 2.949 50 0 IFAARO CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[NH+](C)C)cc1 ZINC000022684049 524048815 /nfs/dbraw/zinc/04/88/15/524048815.db2.gz XDUVOUSIGPHKBH-QFIPXVFZSA-N 1 0 429.586 2.994 50 0 IFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1 ZINC000012457488 524318837 /nfs/dbraw/zinc/31/88/37/524318837.db2.gz ZFNLVUWQZQERTH-AHKGRUIUSA-N 1 0 432.528 2.744 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000253386478 524863444 /nfs/dbraw/zinc/86/34/44/524863444.db2.gz WWVKMMNZJNDWBR-DKTCFHKXSA-N 1 0 445.903 2.502 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000021794679 525038872 /nfs/dbraw/zinc/03/88/72/525038872.db2.gz ZOWFHQYKFZCNPM-UHFFFAOYSA-N 1 0 445.589 2.603 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000012543206 525077821 /nfs/dbraw/zinc/07/78/21/525077821.db2.gz OUILIHKPIIOWCI-UHFFFAOYSA-N 1 0 447.539 2.635 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000012596209 525078222 /nfs/dbraw/zinc/07/82/22/525078222.db2.gz RPUYODMRPIWHBE-LFIBNONCSA-N 1 0 442.585 2.618 50 0 IFAARO Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCC[NH+]2CCCCC2)s1 ZINC000032987313 525267337 /nfs/dbraw/zinc/26/73/37/525267337.db2.gz NZHJYRIHBGICAW-UHFFFAOYSA-N 1 0 433.603 2.934 50 0 IFAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000012874133 525579712 /nfs/dbraw/zinc/57/97/12/525579712.db2.gz CDSUCECIBOHFJN-JXFKEZNVSA-N 1 0 448.633 2.572 50 0 IFAARO CSCC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3C)CC2)O1 ZINC000012450781 525593150 /nfs/dbraw/zinc/59/31/50/525593150.db2.gz NLVRGSLVFZHXBS-VXKWHMMOSA-N 1 0 447.645 2.883 50 0 IFAARO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000020621802 525965229 /nfs/dbraw/zinc/96/52/29/525965229.db2.gz NWEVHVVYHDYODQ-UHFFFAOYSA-N 1 0 441.572 2.806 50 0 IFAARO COc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1ccc(F)cc1Cl ZINC000040744388 526016591 /nfs/dbraw/zinc/01/65/91/526016591.db2.gz POJAUEBYPSMXEP-UHFFFAOYSA-N 1 0 449.870 2.552 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN1c2cc(-c3cccn3C)nn2CCC1=O ZINC000021644826 526248103 /nfs/dbraw/zinc/24/81/03/526248103.db2.gz JRMKMFYEGBYHJY-IBGZPJMESA-N 1 0 440.592 2.786 50 0 IFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938375 526313668 /nfs/dbraw/zinc/31/36/68/526313668.db2.gz BBIXNCQPYJNOMQ-XMMPIXPASA-N 1 0 447.583 2.545 50 0 IFAARO Cc1nnsc1C(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000012297918 526441344 /nfs/dbraw/zinc/44/13/44/526441344.db2.gz IVJVMMXZLKXKRO-FQEVSTJZSA-N 1 0 441.601 2.870 50 0 IFAARO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611179 526511612 /nfs/dbraw/zinc/51/16/12/526511612.db2.gz NZZMLONBGQAAMD-CPNJWEJPSA-N 1 0 427.570 2.701 50 0 IFAARO O=C(CCc1ccncc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998180 526625628 /nfs/dbraw/zinc/62/56/28/526625628.db2.gz SLNTUKQJIPQHSZ-JOCHJYFZSA-N 1 0 436.556 2.552 50 0 IFAARO O=C(C[NH2+]CCN1CCOCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000022030032 526881062 /nfs/dbraw/zinc/88/10/62/526881062.db2.gz MGMHJNFUVXTTKF-UHFFFAOYSA-N 1 0 427.570 2.718 50 0 IFAARO O=C(COc1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1)NCCc1ccccc1F ZINC000020994526 526962668 /nfs/dbraw/zinc/96/26/68/526962668.db2.gz XLHMMOZPBKAZIY-UHFFFAOYSA-N 1 0 441.551 2.808 50 0 IFAARO O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCCC1 ZINC000032987178 527030085 /nfs/dbraw/zinc/03/00/85/527030085.db2.gz CZQZSDTWELMQKE-UHFFFAOYSA-N 1 0 437.566 2.765 50 0 IFAARO O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012916662 527093011 /nfs/dbraw/zinc/09/30/11/527093011.db2.gz DSXYBALTWODLID-QGZVFWFLSA-N 1 0 428.949 2.799 50 0 IFAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000020450885 527151758 /nfs/dbraw/zinc/15/17/58/527151758.db2.gz MGSRIGOSJQOCCF-DEOSSOPVSA-N 1 0 434.584 2.617 50 0 IFAARO O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000022789099 527308889 /nfs/dbraw/zinc/30/88/89/527308889.db2.gz MOVOUNAHPYLWFD-NRFANRHFSA-N 1 0 438.597 2.789 50 0 IFAARO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000012808749 527315464 /nfs/dbraw/zinc/31/54/64/527315464.db2.gz XAXBFFZWEREBBZ-UHFFFAOYSA-N 1 0 440.525 2.840 50 0 IFAARO Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000021153152 527401580 /nfs/dbraw/zinc/40/15/80/527401580.db2.gz SBSUHOMAMMEYQM-GOSISDBHSA-N 1 0 425.360 2.816 50 0 IFAARO O=c1ccc2cc(S(=O)(=O)N3CCC[C@H](C[N@@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000021113508 527487808 /nfs/dbraw/zinc/48/78/08/527487808.db2.gz AEYLJXKIZHVCCT-GOSISDBHSA-N 1 0 437.565 2.987 50 0 IFAARO O=C(/C=C/c1ccccn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020908682 527636273 /nfs/dbraw/zinc/63/62/73/527636273.db2.gz XJNUEAOLGQGLFU-GLJAUCNMSA-N 1 0 434.540 2.632 50 0 IFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000009670166 536424568 /nfs/dbraw/zinc/42/45/68/536424568.db2.gz OUJNXAYISVTGLO-QFIPXVFZSA-N 1 0 442.585 2.620 50 0 IFAARO Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000071890399 555744380 /nfs/dbraw/zinc/74/43/80/555744380.db2.gz RLBUAXFSQBGEQW-UHFFFAOYSA-N 1 0 435.528 2.978 50 0 IFAARO CC[NH+](CC)C[C@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668025 555792104 /nfs/dbraw/zinc/79/21/04/555792104.db2.gz OVCLRTJVIBIKQS-YYVWFHOOSA-N 1 0 437.588 2.558 50 0 IFAARO COC(=O)CC(=O)N1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697697 555811477 /nfs/dbraw/zinc/81/14/77/555811477.db2.gz HSMCYPGVCAFSLR-NFBKMPQASA-N 1 0 439.531 2.753 50 0 IFAARO COC(=O)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034697695 555811531 /nfs/dbraw/zinc/81/15/31/555811531.db2.gz HSMCYPGVCAFSLR-OFNKIYASSA-N 1 0 439.531 2.753 50 0 IFAARO C[NH+](C)CCNC(=O)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000034838690 555914810 /nfs/dbraw/zinc/91/48/10/555914810.db2.gz AKVUADHONFHCMP-UHFFFAOYSA-N 1 0 438.963 2.901 50 0 IFAARO CCN1CCC[C@@H]1C[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000022922107 556341020 /nfs/dbraw/zinc/34/10/20/556341020.db2.gz LMYJAEMXJWUBOW-HXUWFJFHSA-N 1 0 430.574 2.524 50 0 IFAARO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)N(Cc2cc(F)ccc2F)C1 ZINC000011789630 556354917 /nfs/dbraw/zinc/35/49/17/556354917.db2.gz YZPDRLOFUMKKKT-QUCCMNQESA-N 1 0 449.571 2.598 50 0 IFAARO O=c1[nH]nc(CNCc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c2ccccc12 ZINC000011839212 556364177 /nfs/dbraw/zinc/36/41/77/556364177.db2.gz LHQDSLZEANSLSI-FQEVSTJZSA-N 1 0 436.556 2.829 50 0 IFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1OC ZINC000011839320 556364292 /nfs/dbraw/zinc/36/42/92/556364292.db2.gz UEYOOZDRVFLXHH-XMMPIXPASA-N 1 0 429.561 2.531 50 0 IFAARO COc1cc(CNCc2csc(C(C)C)n2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000011840437 556364829 /nfs/dbraw/zinc/36/48/29/556364829.db2.gz DTAQBCWFHQZFJZ-FQEVSTJZSA-N 1 0 449.617 2.761 50 0 IFAARO CC(C)Oc1ccc(CC[NH2+]Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)cc1 ZINC000011874376 556370587 /nfs/dbraw/zinc/37/05/87/556370587.db2.gz MLFXWGHUAYLBSJ-QHCPKHFHSA-N 1 0 428.573 2.878 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C ZINC000011977975 556383581 /nfs/dbraw/zinc/38/35/81/556383581.db2.gz SDXLFKOSMBLSSV-UHFFFAOYSA-N 1 0 434.544 2.817 50 0 IFAARO COc1cc(C(=O)NCCN2CCOC2=O)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012001396 556385582 /nfs/dbraw/zinc/38/55/82/556385582.db2.gz DRJKGKLUCQLDEJ-UHFFFAOYSA-N 1 0 431.533 2.663 50 0 IFAARO CC(C)CC[C@@]1(C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012035057 556389422 /nfs/dbraw/zinc/38/94/22/556389422.db2.gz BNXIJKJZHNSJKR-JCYRRQQNSA-N 1 0 444.620 2.726 50 0 IFAARO CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[NH+]1CCCCC1 ZINC000014197984 556389503 /nfs/dbraw/zinc/38/95/03/556389503.db2.gz UNFBECTZZRJZRN-UHFFFAOYSA-N 1 0 425.570 2.607 50 0 IFAARO O=C(NCC[NH+]1CCCC1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 ZINC000012041777 556391023 /nfs/dbraw/zinc/39/10/23/556391023.db2.gz VJYHFALNMUJSEG-UHFFFAOYSA-N 1 0 446.511 2.761 50 0 IFAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)c3ccccc13)CC2 ZINC000012055345 556393845 /nfs/dbraw/zinc/39/38/45/556393845.db2.gz BOUNXXUMSUYNMK-KRWDZBQOSA-N 1 0 437.544 2.712 50 0 IFAARO COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[NH+]1CCCC1 ZINC000014227736 556395538 /nfs/dbraw/zinc/39/55/38/556395538.db2.gz KMHPVSJZLINTEZ-FQEVSTJZSA-N 1 0 431.558 2.512 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014235346 556399085 /nfs/dbraw/zinc/39/90/85/556399085.db2.gz NBQLVSLQOGTUOW-DLBZAZTESA-N 1 0 437.587 2.695 50 0 IFAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4cnn(C)c4)CC3)C2=O)cc1 ZINC000014541555 556425890 /nfs/dbraw/zinc/42/58/90/556425890.db2.gz XMUOFIMELOCHCH-UHFFFAOYSA-N 1 0 439.560 2.884 50 0 IFAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014541992 556426094 /nfs/dbraw/zinc/42/60/94/556426094.db2.gz COCQXLWIPXLPHT-INIZCTEOSA-N 1 0 436.622 2.799 50 0 IFAARO CCOc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012985050 556426140 /nfs/dbraw/zinc/42/61/40/556426140.db2.gz AHQXKFJHYDKIRS-GOSISDBHSA-N 1 0 438.557 2.544 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014731692 556436637 /nfs/dbraw/zinc/43/66/37/556436637.db2.gz ZZMUUKHJUJLGNN-UHFFFAOYSA-N 1 0 438.528 2.623 50 0 IFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014732705 556437150 /nfs/dbraw/zinc/43/71/50/556437150.db2.gz WUIYMYUQNIYBKQ-UHFFFAOYSA-N 1 0 447.601 2.836 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014732719 556437190 /nfs/dbraw/zinc/43/71/90/556437190.db2.gz OQPKINVPLFMZFK-KRWDZBQOSA-N 1 0 432.515 2.937 50 0 IFAARO COc1ccc(-c2nnc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000065229792 556437814 /nfs/dbraw/zinc/43/78/14/556437814.db2.gz SOQAONFHNZCFRS-UHFFFAOYSA-N 1 0 427.549 2.954 50 0 IFAARO C[N@@H+]1CCCN(C(=O)c2cc(NC3CCCC3)cc(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000014750703 556443314 /nfs/dbraw/zinc/44/33/14/556443314.db2.gz IFSUTKWRFVMKRP-UHFFFAOYSA-N 1 0 436.622 2.896 50 0 IFAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883590 556454640 /nfs/dbraw/zinc/45/46/40/556454640.db2.gz ADYCOUFTJMAKOC-TZIWHRDSSA-N 1 0 432.561 2.821 50 0 IFAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883581 556454769 /nfs/dbraw/zinc/45/47/69/556454769.db2.gz ADYCOUFTJMAKOC-CTNGQTDRSA-N 1 0 432.561 2.821 50 0 IFAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000014885817 556455183 /nfs/dbraw/zinc/45/51/83/556455183.db2.gz JELJAYKGQPFGPI-UHFFFAOYSA-N 1 0 428.602 2.569 50 0 IFAARO COc1cc(C)c(C[N@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)cc1C ZINC000014888477 556455815 /nfs/dbraw/zinc/45/58/15/556455815.db2.gz QMDICGJCVOVZNN-UHFFFAOYSA-N 1 0 439.556 2.777 50 0 IFAARO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(F)c1 ZINC000013096463 556456914 /nfs/dbraw/zinc/45/69/14/556456914.db2.gz FBRIVQXFKBCLNB-ZACQAIPSSA-N 1 0 449.548 2.913 50 0 IFAARO O=C1C[C@H](N2CCC([NH+]3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 ZINC000014944099 556459472 /nfs/dbraw/zinc/45/94/72/556459472.db2.gz IFDYZNHAAXEGOF-QHCPKHFHSA-N 1 0 436.531 2.744 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 ZINC000014944092 556459549 /nfs/dbraw/zinc/45/95/49/556459549.db2.gz ZIQDYONDGXTCIQ-NRFANRHFSA-N 1 0 439.487 2.751 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000014956324 556462286 /nfs/dbraw/zinc/46/22/86/556462286.db2.gz CXIXPVWAVVYWLV-DEOSSOPVSA-N 1 0 440.588 2.911 50 0 IFAARO CCOCCCC(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000072280902 556462346 /nfs/dbraw/zinc/46/23/46/556462346.db2.gz TWKOZQYNUHNZCB-UHFFFAOYSA-N 1 0 444.389 2.981 50 0 IFAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)CCC(=O)OC)CC2)c(Cl)c1 ZINC000014960754 556463835 /nfs/dbraw/zinc/46/38/35/556463835.db2.gz CFTWYYRCGWWZHT-HNNXBMFYSA-N 1 0 426.941 2.901 50 0 IFAARO COc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000029090709 556467067 /nfs/dbraw/zinc/46/70/67/556467067.db2.gz ZHHDRUXRKHDUES-INIZCTEOSA-N 1 0 435.590 2.615 50 0 IFAARO O=C(CCn1cncn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014971139 556467147 /nfs/dbraw/zinc/46/71/47/556467147.db2.gz UUWFCNSFLLKWGK-DEOSSOPVSA-N 1 0 437.588 2.555 50 0 IFAARO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)c12 ZINC000072283835 556474628 /nfs/dbraw/zinc/47/46/28/556474628.db2.gz YLPVPFKEMDNNQQ-MRXNPFEDSA-N 1 0 426.609 2.985 50 0 IFAARO CN1C(=O)C[C@](CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)(c2ccccc2F)C1=O ZINC000014995274 556477676 /nfs/dbraw/zinc/47/76/76/556477676.db2.gz YBZOJPGTJUVGPE-QHCPKHFHSA-N 1 0 443.544 2.638 50 0 IFAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000072286675 556478776 /nfs/dbraw/zinc/47/87/76/556478776.db2.gz GUJXRCHJXAGPQO-HZAQMHFWSA-N 1 0 428.602 2.893 50 0 IFAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCCc1nc(-c3ccccc3)n[nH]1)C2 ZINC000015006170 556481636 /nfs/dbraw/zinc/48/16/36/556481636.db2.gz BTCXWBBBPAQBMW-QGZVFWFLSA-N 1 0 435.528 2.812 50 0 IFAARO O[C@H](COCc1ccco1)C[NH+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000013149397 556491025 /nfs/dbraw/zinc/49/10/25/556491025.db2.gz UCWAFPKSDIPGHA-SFTDATJTSA-N 1 0 433.476 2.969 50 0 IFAARO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013163453 556493777 /nfs/dbraw/zinc/49/37/77/556493777.db2.gz ICPBNOFUBAOBGF-UHFFFAOYSA-N 1 0 442.519 2.578 50 0 IFAARO COCc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000015070318 556495282 /nfs/dbraw/zinc/49/52/82/556495282.db2.gz YTGQRJJFZHFUHW-UHFFFAOYSA-N 1 0 434.544 2.598 50 0 IFAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000013590127 556529025 /nfs/dbraw/zinc/52/90/25/556529025.db2.gz GXQFJILSFNVXPG-INIZCTEOSA-N 1 0 433.302 2.931 50 0 IFAARO C[N@H+](Cc1ccccc1NC(=O)Cn1nnn(-c2cccs2)c1=O)C1CCCCC1 ZINC000032900677 556529766 /nfs/dbraw/zinc/52/97/66/556529766.db2.gz MIVMKHHXZVGMID-UHFFFAOYSA-N 1 0 426.546 2.894 50 0 IFAARO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000072308865 556567836 /nfs/dbraw/zinc/56/78/36/556567836.db2.gz ZQRSIVOMWSUHIK-QGZVFWFLSA-N 1 0 441.601 2.582 50 0 IFAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016021195 556575063 /nfs/dbraw/zinc/57/50/63/556575063.db2.gz CAJIAIMMSHCSFM-XWQURZDVSA-N 1 0 425.435 2.541 50 0 IFAARO CCOc1ccc(CNC(=O)c2cnc(N3CCC([NH+]4CCCCC4)CC3)nc2N)cc1 ZINC000071328256 556582922 /nfs/dbraw/zinc/58/29/22/556582922.db2.gz NYWZBHOATNFHPF-UHFFFAOYSA-N 1 0 438.576 2.842 50 0 IFAARO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000034890269 556585737 /nfs/dbraw/zinc/58/57/37/556585737.db2.gz DVUMDQULNYOVSO-NZQKXSOJSA-N 1 0 437.540 2.946 50 0 IFAARO O=C(CC1CCN(C(=O)c2ccccc2)CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032974121 556596322 /nfs/dbraw/zinc/59/63/22/556596322.db2.gz FWVJJLXJXSIPFG-UHFFFAOYSA-N 1 0 448.611 2.863 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C(C)C)c1 ZINC000032986431 556605950 /nfs/dbraw/zinc/60/59/50/556605950.db2.gz NEBZSJIUDGVDKL-NZQKXSOJSA-N 1 0 439.556 2.849 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(C)C)c1 ZINC000032986426 556606027 /nfs/dbraw/zinc/60/60/27/556606027.db2.gz NEBZSJIUDGVDKL-NFBKMPQASA-N 1 0 439.556 2.849 50 0 IFAARO Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCCC[NH+]2CCCC2)s1 ZINC000032987332 556607272 /nfs/dbraw/zinc/60/72/72/556607272.db2.gz XZDKDWHEFGCRLP-UHFFFAOYSA-N 1 0 433.603 2.934 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000032987485 556607664 /nfs/dbraw/zinc/60/76/64/556607664.db2.gz OCDCPDCZIBVSGN-INIZCTEOSA-N 1 0 431.562 2.606 50 0 IFAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)CCn1cnc2ccccc21 ZINC000032916445 556615235 /nfs/dbraw/zinc/61/52/35/556615235.db2.gz VSVNISWNLDCUEX-FQEVSTJZSA-N 1 0 441.601 2.557 50 0 IFAARO CC(C)N1C[C@H]([NH2+]Cc2c(F)cccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000039537304 556629617 /nfs/dbraw/zinc/62/96/17/556629617.db2.gz ISDWKFONIGIJKA-UTKZUKDTSA-N 1 0 445.510 2.993 50 0 IFAARO CC[NH+]1CCC(CCNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000065272843 556636532 /nfs/dbraw/zinc/63/65/32/556636532.db2.gz QMLSZHZJDAMSJY-SFHVURJKSA-N 1 0 433.618 2.564 50 0 IFAARO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000065272842 556636547 /nfs/dbraw/zinc/63/65/47/556636547.db2.gz QMLSZHZJDAMSJY-GOSISDBHSA-N 1 0 433.618 2.564 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000409415300 556641711 /nfs/dbraw/zinc/64/17/11/556641711.db2.gz ZUKBYTNHDIMBQQ-GHTZIAJQSA-N 1 0 426.561 2.677 50 0 IFAARO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CSc3nc4ccccc4n(C)c3=O)C2)cc1 ZINC000033006684 556655617 /nfs/dbraw/zinc/65/56/17/556655617.db2.gz MZMFYMAUHOOKNF-IBGZPJMESA-N 1 0 436.581 2.972 50 0 IFAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C ZINC000011880826 556668392 /nfs/dbraw/zinc/66/83/92/556668392.db2.gz VCLQAWRPGWRFJO-LJQANCHMSA-N 1 0 427.549 2.941 50 0 IFAARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)c1 ZINC000011898701 556669323 /nfs/dbraw/zinc/66/93/23/556669323.db2.gz ZZCKKWDGYJXISB-HXUWFJFHSA-N 1 0 428.533 2.714 50 0 IFAARO CC1CC[NH+]([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccco2)CC1 ZINC000011998752 556679683 /nfs/dbraw/zinc/67/96/83/556679683.db2.gz YYCWLRJMUQGEQP-LJQANCHMSA-N 1 0 445.541 2.549 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033784 556714542 /nfs/dbraw/zinc/71/45/42/556714542.db2.gz DRMSHPFMKLQRIG-UHFFFAOYSA-N 1 0 430.574 2.652 50 0 IFAARO COc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc(OC)c1Br ZINC000060344653 556714600 /nfs/dbraw/zinc/71/46/00/556714600.db2.gz OOKLPWBOPNMFIH-UHFFFAOYSA-N 1 0 445.354 2.812 50 0 IFAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033034154 556715854 /nfs/dbraw/zinc/71/58/54/556715854.db2.gz ZKAYQNYCWXXDDI-UHFFFAOYSA-N 1 0 430.574 2.770 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034312 556716356 /nfs/dbraw/zinc/71/63/56/556716356.db2.gz RIDCTXQSZLYJBO-UHFFFAOYSA-N 1 0 430.574 2.591 50 0 IFAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680163 556735103 /nfs/dbraw/zinc/73/51/03/556735103.db2.gz CQJIGPOAHHTBDW-FCHUYYIVSA-N 1 0 428.621 2.545 50 0 IFAARO Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017860 556754166 /nfs/dbraw/zinc/75/41/66/556754166.db2.gz XCZHREQKUYQYLX-FXAWDEMLSA-N 1 0 436.585 2.839 50 0 IFAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000058217916 556772812 /nfs/dbraw/zinc/77/28/12/556772812.db2.gz IQGKCDGTAKALJZ-SFHVURJKSA-N 1 0 428.558 2.673 50 0 IFAARO O=C(CCN1CCOCC1)Nc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000058289450 556777458 /nfs/dbraw/zinc/77/74/58/556777458.db2.gz YLVZGYXXFAYKBI-LJQANCHMSA-N 1 0 447.555 2.579 50 0 IFAARO COc1ccc([C@@H](CN2CC[NH+](C)CC2)NC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000058297945 556778347 /nfs/dbraw/zinc/77/83/47/556778347.db2.gz UNEKBJMSFMJSAV-OAQYLSRUSA-N 1 0 428.533 2.823 50 0 IFAARO Cc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[NH+]2CCCC2)o1 ZINC000058307638 556779305 /nfs/dbraw/zinc/77/93/05/556779305.db2.gz VKUNGYINBAMXCC-PKOBYXMFSA-N 1 0 439.512 2.665 50 0 IFAARO O=C(C[N@H+](CC1CCCCC1)C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000059409297 556800022 /nfs/dbraw/zinc/80/00/22/556800022.db2.gz GYRSIBHKCFHRFE-UHFFFAOYSA-N 1 0 433.618 2.705 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000033061860 556817543 /nfs/dbraw/zinc/81/75/43/556817543.db2.gz FFSXKZVTYRXCDU-HNNXBMFYSA-N 1 0 431.562 2.722 50 0 IFAARO CSc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000064800255 556827214 /nfs/dbraw/zinc/82/72/14/556827214.db2.gz ZSAXFLVGFGPAQE-UHFFFAOYSA-N 1 0 428.562 2.698 50 0 IFAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000065361855 556834096 /nfs/dbraw/zinc/83/40/96/556834096.db2.gz KNSSJTBJRAGIAR-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065363093 556834839 /nfs/dbraw/zinc/83/48/39/556834839.db2.gz FJZFQDBWKDBAKH-UHFFFAOYSA-N 1 0 437.516 2.564 50 0 IFAARO Cc1ccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(C)s3)CC2)s1 ZINC000019648108 556841094 /nfs/dbraw/zinc/84/10/94/556841094.db2.gz SWMGRBBVSKVMBO-UHFFFAOYSA-N 1 0 448.658 2.984 50 0 IFAARO O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128872 556866071 /nfs/dbraw/zinc/86/60/71/556866071.db2.gz XPOKVIWPFOMMMP-FQEVSTJZSA-N 1 0 425.552 2.766 50 0 IFAARO Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000033258694 556896625 /nfs/dbraw/zinc/89/66/25/556896625.db2.gz ASAQIWCDPPMOGH-UHFFFAOYSA-N 1 0 439.608 2.755 50 0 IFAARO COc1cccc(OCCOC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019938589 556952684 /nfs/dbraw/zinc/95/26/84/556952684.db2.gz YDRHHGWWKANBLI-NRFANRHFSA-N 1 0 434.964 2.923 50 0 IFAARO CCOC(=O)Cc1cc(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019991941 556957127 /nfs/dbraw/zinc/95/71/27/556957127.db2.gz VBIKMBOILPRPJK-UHFFFAOYSA-N 1 0 432.524 2.787 50 0 IFAARO O=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020209839 556998660 /nfs/dbraw/zinc/99/86/60/556998660.db2.gz UXEBKNWKZPJCAA-XMMPIXPASA-N 1 0 435.568 2.876 50 0 IFAARO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283421 557005275 /nfs/dbraw/zinc/00/52/75/557005275.db2.gz JVCCLUXLGPXRNX-QFIPXVFZSA-N 1 0 426.561 2.808 50 0 IFAARO COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017246008 557044439 /nfs/dbraw/zinc/04/44/39/557044439.db2.gz OWUDZOXCNYMLHA-UHFFFAOYSA-N 1 0 426.517 2.686 50 0 IFAARO CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)c(C)n1 ZINC000048230800 557048762 /nfs/dbraw/zinc/04/87/62/557048762.db2.gz QYNHLHKMDXQNBJ-UHFFFAOYSA-N 1 0 428.606 2.601 50 0 IFAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000048309479 557059869 /nfs/dbraw/zinc/05/98/69/557059869.db2.gz AEWJBIXXIZVCOE-GOSISDBHSA-N 1 0 441.503 2.540 50 0 IFAARO CCCn1c2ccccc2n(CC(=O)N[C@@H](C)CC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000048312072 557061215 /nfs/dbraw/zinc/06/12/15/557061215.db2.gz KRIVHLHURFQRLQ-NRFANRHFSA-N 1 0 449.599 2.930 50 0 IFAARO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000048324949 557065595 /nfs/dbraw/zinc/06/55/95/557065595.db2.gz GRYJLPYGFYBDFQ-SJORKVTESA-N 1 0 448.539 2.602 50 0 IFAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1 ZINC000023129018 557065760 /nfs/dbraw/zinc/06/57/60/557065760.db2.gz LRFGBPJPFZXKMJ-QFIPXVFZSA-N 1 0 445.567 2.965 50 0 IFAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](N1CC[NH+](C3CCCC3)CC1)C2 ZINC000023354218 557086602 /nfs/dbraw/zinc/08/66/02/557086602.db2.gz QHJPIYQAEKSURE-OAQYLSRUSA-N 1 0 439.579 2.907 50 0 IFAARO CC(=O)Nc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400839 557096243 /nfs/dbraw/zinc/09/62/43/557096243.db2.gz NRONKCWRWCFBCE-UHFFFAOYSA-N 1 0 445.523 2.707 50 0 IFAARO COc1ccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400889 557096701 /nfs/dbraw/zinc/09/67/01/557096701.db2.gz IOZZBKVOHKDJOZ-SFHVURJKSA-N 1 0 446.551 2.996 50 0 IFAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)c1C ZINC000085620896 557102543 /nfs/dbraw/zinc/10/25/43/557102543.db2.gz CTNZDIZOUUWMPW-IBGZPJMESA-N 1 0 446.592 2.653 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)c1C ZINC000085621227 557102589 /nfs/dbraw/zinc/10/25/89/557102589.db2.gz LTLSDQAXBXRRSI-IBGZPJMESA-N 1 0 446.592 2.653 50 0 IFAARO COc1ccc(CC[N@H+](C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000023731893 557111704 /nfs/dbraw/zinc/11/17/04/557111704.db2.gz UBHKAWXCKFIDPA-HXUWFJFHSA-N 1 0 425.573 2.911 50 0 IFAARO CCCC[N@H+](CC)CCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C ZINC000004788904 557119991 /nfs/dbraw/zinc/11/99/91/557119991.db2.gz KXTDLEQQRNRGBJ-UHFFFAOYSA-N 1 0 426.561 2.991 50 0 IFAARO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000023848021 557120685 /nfs/dbraw/zinc/12/06/85/557120685.db2.gz WNGJNRUBFHAFIM-AREMUKBSSA-N 1 0 441.535 2.851 50 0 IFAARO CC(=O)c1ccc(N2CCN(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000024752778 557133393 /nfs/dbraw/zinc/13/33/93/557133393.db2.gz RMQHSVREEPYWBG-QFIPXVFZSA-N 1 0 438.547 2.541 50 0 IFAARO O=C1OCCN1C1CC[NH+](Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095704823 557159907 /nfs/dbraw/zinc/15/99/07/557159907.db2.gz FUQQDGDDHVWDPM-UHFFFAOYSA-N 1 0 437.953 2.598 50 0 IFAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2cnn(C)c2)CC3)cc1 ZINC000014733705 557161686 /nfs/dbraw/zinc/16/16/86/557161686.db2.gz FKLCDGNMAQYXOD-UHFFFAOYSA-N 1 0 439.560 2.679 50 0 IFAARO Cc1nn2c(nc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)c3ccccc32)c1Cl ZINC000024829771 557170161 /nfs/dbraw/zinc/17/01/61/557170161.db2.gz UKXFBAWVXXGHJO-UHFFFAOYSA-N 1 0 426.952 2.979 50 0 IFAARO COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[NH+]3CCC(C)CC3)C2=O)cc1OC ZINC000097993249 557187558 /nfs/dbraw/zinc/18/75/58/557187558.db2.gz WHFUVUDMVHWHSH-CPNJWEJPSA-N 1 0 447.557 2.588 50 0 IFAARO O=C(COc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1)N1CCCC1 ZINC000025261330 557201463 /nfs/dbraw/zinc/20/14/63/557201463.db2.gz YUIZNSUQRYWBTH-HXUWFJFHSA-N 1 0 429.586 2.912 50 0 IFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)N3CCc4ccccc43)nc1=O)CCC2 ZINC000005254227 557215014 /nfs/dbraw/zinc/21/50/14/557215014.db2.gz ZMLNLHWUYRGRIR-UHFFFAOYSA-N 1 0 426.586 2.755 50 0 IFAARO O=C(CN1CCC(C(=O)N2CCCC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000025754948 557224487 /nfs/dbraw/zinc/22/44/87/557224487.db2.gz ODTWTDNXTIEPQK-JOCHJYFZSA-N 1 0 447.023 2.928 50 0 IFAARO Cc1noc(C)c1COc1cc(=O)n2c(c1C(=O)NCC[NH+]1CCCCC1)CCCCC2 ZINC000583648821 557241477 /nfs/dbraw/zinc/24/14/77/557241477.db2.gz VWSWZUSTJWTWEK-UHFFFAOYSA-N 1 0 442.560 2.974 50 0 IFAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 ZINC000100205773 557247487 /nfs/dbraw/zinc/24/74/87/557247487.db2.gz CGZBZWWWIGQSMX-SFHVURJKSA-N 1 0 443.935 2.809 50 0 IFAARO Cc1cc(C)nc(N2CCC(C[NH2+][C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)n1 ZINC000100215133 557248086 /nfs/dbraw/zinc/24/80/86/557248086.db2.gz JLZRDTKVEDGDDK-IBGZPJMESA-N 1 0 427.936 2.885 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)C1 ZINC000033256199 557329420 /nfs/dbraw/zinc/32/94/20/557329420.db2.gz XJETWZCVCRKICM-FQEVSTJZSA-N 1 0 428.625 2.922 50 0 IFAARO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2[nH]1 ZINC000014254207 557330823 /nfs/dbraw/zinc/33/08/23/557330823.db2.gz UMJRBHYZSCDZJR-UHFFFAOYSA-N 1 0 448.548 2.952 50 0 IFAARO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000012069442 557526194 /nfs/dbraw/zinc/52/61/94/557526194.db2.gz RWGFIYXAABHASA-UHFFFAOYSA-N 1 0 430.936 2.616 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)c(C)c1 ZINC000045944293 557552773 /nfs/dbraw/zinc/55/27/73/557552773.db2.gz FQVUIIZOPNRQTB-UHFFFAOYSA-N 1 0 443.613 2.667 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)c1 ZINC000045944590 557553164 /nfs/dbraw/zinc/55/31/64/557553164.db2.gz BOLMKRZRPYHGHH-OAQYLSRUSA-N 1 0 443.613 2.920 50 0 IFAARO Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000225388622 557717617 /nfs/dbraw/zinc/71/76/17/557717617.db2.gz DDSWAPCLFJLUPA-UHFFFAOYSA-N 1 0 433.560 2.620 50 0 IFAARO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000225759071 557773842 /nfs/dbraw/zinc/77/38/42/557773842.db2.gz FNNHEDDRSCHIDX-OAQYLSRUSA-N 1 0 447.587 2.758 50 0 IFAARO CCOC(=O)c1ccc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1 ZINC000225829058 557782226 /nfs/dbraw/zinc/78/22/26/557782226.db2.gz MUHXCTLFDSIIGN-IBGZPJMESA-N 1 0 440.606 2.745 50 0 IFAARO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000229897131 557833564 /nfs/dbraw/zinc/83/35/64/557833564.db2.gz ZTJBMVGUEXXISD-LVXARBLLSA-N 1 0 446.551 2.797 50 0 IFAARO CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000229897136 557833674 /nfs/dbraw/zinc/83/36/74/557833674.db2.gz ZTJBMVGUEXXISD-HFZDXXHNSA-N 1 0 446.551 2.797 50 0 IFAARO O=C(C[S@](=O)Cc1ccco1)NC/C=C\COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000003781682 557850602 /nfs/dbraw/zinc/85/06/02/557850602.db2.gz KMZQAVXSMUKBPD-FCRIZLRQSA-N 1 0 431.558 2.661 50 0 in-man IFAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 ZINC000002433408 562927721 /nfs/dbraw/zinc/92/77/21/562927721.db2.gz SVULNGAEWAIQRI-OAHLLOKOSA-N 1 0 433.530 2.968 50 0 IFAARO COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CS[C@@H]21 ZINC000004295711 562943034 /nfs/dbraw/zinc/94/30/34/562943034.db2.gz KZZYZKIFZWAXDW-XOBRGWDASA-N 1 0 433.574 2.699 50 0 IFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008346318 562949217 /nfs/dbraw/zinc/94/92/17/562949217.db2.gz JASPZKBPOBOLQA-UHFFFAOYSA-N 1 0 427.570 2.997 50 0 IFAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCC(=O)NC[C@@H]1CCCO1 ZINC000009669549 562975121 /nfs/dbraw/zinc/97/51/21/562975121.db2.gz PIIWHCBSXSQKBT-KRWDZBQOSA-N 1 0 432.590 2.516 50 0 IFAARO COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000013010615 562984009 /nfs/dbraw/zinc/98/40/09/562984009.db2.gz PFQBFNZJYJLJEQ-OAQYLSRUSA-N 1 0 425.529 2.777 50 0 IFAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ncccn3)C[C@@H]2CCO)c(C)c1C ZINC000019740707 563022856 /nfs/dbraw/zinc/02/28/56/563022856.db2.gz RKEDTVFJAZZGGD-QFIPXVFZSA-N 1 0 435.572 2.962 50 0 IFAARO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000038347206 563097493 /nfs/dbraw/zinc/09/74/93/563097493.db2.gz GEFDXUZHLNJUMR-HNNXBMFYSA-N 1 0 433.357 2.937 50 0 in-vitro IFAARO CN(C)C(=O)CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055060867 563142350 /nfs/dbraw/zinc/14/23/50/563142350.db2.gz PFKWBPSAJMWXBQ-LJQANCHMSA-N 1 0 440.510 2.687 50 0 IFAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]CCOc4ccccn4)cc3)cc2n(C)c1=O ZINC000248066852 568633877 /nfs/dbraw/zinc/63/38/77/568633877.db2.gz WJCAKPDHECIXFN-QHCPKHFHSA-N 1 0 448.523 2.553 50 0 IFAARO CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CC[NH+](C)CC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000001072570 568657621 /nfs/dbraw/zinc/65/76/21/568657621.db2.gz ADIWITQQNGFPAX-QFIPXVFZSA-N 1 0 442.512 2.851 50 0 IFAARO Cc1ccc2nc(C[NH2+]C3CCN(c4ccc(C(=O)N5CCC[C@H](O)C5)cc4)CC3)cn2c1 ZINC000299760912 568755773 /nfs/dbraw/zinc/75/57/73/568755773.db2.gz SETITUAKJMMFAB-DEOSSOPVSA-N 1 0 447.583 2.998 50 0 IFAARO O=C(c1n[nH]c2c1CCC2)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000299767342 568756471 /nfs/dbraw/zinc/75/64/71/568756471.db2.gz QTKAZSRZKVQGOY-FQEVSTJZSA-N 1 0 439.604 2.618 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC ZINC000299783349 568757175 /nfs/dbraw/zinc/75/71/75/568757175.db2.gz ZRNGVOOQQAICKJ-HNNXBMFYSA-N 1 0 426.546 2.751 50 0 IFAARO COc1ccc([C@@H]2Cn3nnc(C(=O)N4CC[NH+](C5CCCCC5)CC4)c3CO2)cc1 ZINC000263616782 568776919 /nfs/dbraw/zinc/77/69/19/568776919.db2.gz KMZCSNBQFMSDEQ-NRFANRHFSA-N 1 0 425.533 2.649 50 0 IFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000015671207 568802290 /nfs/dbraw/zinc/80/22/90/568802290.db2.gz GXTPVOHERBYGRS-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1 ZINC000015679010 568805389 /nfs/dbraw/zinc/80/53/89/568805389.db2.gz CCXDYTNEXBOJFR-HKUYNNGSSA-N 1 0 427.549 2.952 50 0 IFAARO O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCC[NH+]1CCCCC1 ZINC000015722211 568812124 /nfs/dbraw/zinc/81/21/24/568812124.db2.gz NMXHLOJQGMYAJT-UHFFFAOYSA-N 1 0 446.617 2.808 50 0 IFAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015773227 568823049 /nfs/dbraw/zinc/82/30/49/568823049.db2.gz IMEJIQOJNJEAOH-QHCPKHFHSA-N 1 0 440.975 2.946 50 0 IFAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000015773394 568823106 /nfs/dbraw/zinc/82/31/06/568823106.db2.gz RGMFRVGKUTYQNW-RUZDIDTESA-N 1 0 434.584 2.910 50 0 IFAARO Cn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[NH+]1CCCCCC1 ZINC000015784020 568826781 /nfs/dbraw/zinc/82/67/81/568826781.db2.gz RMLUIDUBAYXOMB-UHFFFAOYSA-N 1 0 440.592 2.788 50 0 IFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652734 568837701 /nfs/dbraw/zinc/83/77/01/568837701.db2.gz JMSFYYLVOKFYCM-LIKPIUCQSA-N 1 0 432.613 2.609 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)c1 ZINC000015864194 568849764 /nfs/dbraw/zinc/84/97/64/568849764.db2.gz SFQLIIMBWJLVSJ-UHFFFAOYSA-N 1 0 435.977 2.580 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000015958445 568860350 /nfs/dbraw/zinc/86/03/50/568860350.db2.gz KIYSKRKTROCGKB-FXKZBUDASA-N 1 0 427.570 2.720 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 ZINC000575618634 568882244 /nfs/dbraw/zinc/88/22/44/568882244.db2.gz AITADXVVOJEXQA-LJQANCHMSA-N 1 0 434.496 2.917 50 0 IFAARO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000226930584 568885583 /nfs/dbraw/zinc/88/55/83/568885583.db2.gz ZPUIQBHQSAJUFT-KCXPTXFHSA-N 1 0 425.847 2.910 50 0 IFAARO C[NH+](C)C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC000013005313 568899064 /nfs/dbraw/zinc/89/90/64/568899064.db2.gz XVUUZEGFCODWBQ-LJQANCHMSA-N 1 0 443.345 2.968 50 0 IFAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]CCO)cc21 ZINC000001889555 568917585 /nfs/dbraw/zinc/91/75/85/568917585.db2.gz XCWISVDRIBSOGX-IBGZPJMESA-N 1 0 426.513 2.746 50 0 IFAARO C[C@@H](CCNC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)no1)[NH+]1CCCCCC1 ZINC000064746508 568949722 /nfs/dbraw/zinc/94/97/22/568949722.db2.gz BJDVWPWCHZHYBY-SFHVURJKSA-N 1 0 427.549 2.958 50 0 IFAARO COc1ccc(OC[C@H](O)C[N@H+](CCN2CCOCC2)Cc2ccc(C)cc2C)cc1 ZINC000036098871 568951963 /nfs/dbraw/zinc/95/19/63/568951963.db2.gz WOLOMKJHRUOXCF-HSZRJFAPSA-N 1 0 428.573 2.886 50 0 IFAARO Cc1cccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1 ZINC000064836176 568969071 /nfs/dbraw/zinc/96/90/71/568969071.db2.gz MZGMKDKHORLRET-UHFFFAOYSA-N 1 0 441.535 2.830 50 0 IFAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839380 568969723 /nfs/dbraw/zinc/96/97/23/568969723.db2.gz QFHLALFCCFYILV-LJQANCHMSA-N 1 0 431.540 2.915 50 0 IFAARO Cc1cccc(C(=O)N2CCN([C@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255100 568985005 /nfs/dbraw/zinc/98/50/05/568985005.db2.gz QROQNEUPWYNWEY-DEOSSOPVSA-N 1 0 440.632 2.914 50 0 IFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000169678709 568989919 /nfs/dbraw/zinc/98/99/19/568989919.db2.gz AXDSFLYXYQDUEG-LADGPHEKSA-N 1 0 439.531 2.556 50 0 IFAARO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678671 568990011 /nfs/dbraw/zinc/99/00/11/568990011.db2.gz WKZUHOYJWDCEEH-VWNXMTODSA-N 1 0 441.547 2.850 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCC[NH+]1CCCCCC1)c2=O ZINC000064970742 569076429 /nfs/dbraw/zinc/07/64/29/569076429.db2.gz OMDWIRKEHYFDDJ-UHFFFAOYSA-N 1 0 436.560 2.581 50 0 IFAARO CC[C@@H](C(=O)NCCC[NH+]1CCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971052 569076537 /nfs/dbraw/zinc/07/65/37/569076537.db2.gz AQEIRCYDNPVDIE-FQEVSTJZSA-N 1 0 436.560 2.752 50 0 IFAARO COc1ccc(-c2noc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)n2)cc1 ZINC000006834249 569084401 /nfs/dbraw/zinc/08/44/01/569084401.db2.gz OPUFCJWZKIVSIQ-QGZVFWFLSA-N 1 0 427.549 2.952 50 0 IFAARO COc1ccc(-c2noc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)n2)cc1 ZINC000006834269 569084417 /nfs/dbraw/zinc/08/44/17/569084417.db2.gz OPUFCJWZKIVSIQ-KRWDZBQOSA-N 1 0 427.549 2.952 50 0 IFAARO Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NCC[C@@H](C)[NH+]3CCCCCC3)n2)cc1 ZINC000065117390 569107666 /nfs/dbraw/zinc/10/76/66/569107666.db2.gz BKXKRKLWYUBKEZ-GOSISDBHSA-N 1 0 448.589 2.779 50 0 IFAARO CCOc1cc(=O)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)nn1-c1ccc(F)c(F)c1 ZINC000065198338 569114950 /nfs/dbraw/zinc/11/49/50/569114950.db2.gz FMKAJMNAMRBGFD-UHFFFAOYSA-N 1 0 446.498 3.000 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(C)cc2)CC1 ZINC000065210074 569116554 /nfs/dbraw/zinc/11/65/54/569116554.db2.gz LTFUAUMIVMFJJX-UHFFFAOYSA-N 1 0 435.572 2.957 50 0 IFAARO Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CC[NH+](C(C)C)CC3)c2=O)c1 ZINC000065212330 569116776 /nfs/dbraw/zinc/11/67/76/569116776.db2.gz FJDAWDDGILBFDZ-UHFFFAOYSA-N 1 0 425.533 2.662 50 0 IFAARO CC1CCN(c2cc(-n3cnc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3)ncn2)CC1 ZINC000065239808 569120779 /nfs/dbraw/zinc/12/07/79/569120779.db2.gz WXRMUVOYZOOREU-UHFFFAOYSA-N 1 0 437.592 2.989 50 0 IFAARO O=C(c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)N1CCN(c2ccccn2)CC1 ZINC000065255881 569122970 /nfs/dbraw/zinc/12/29/70/569122970.db2.gz DXXJDMVNUQTFME-QFIPXVFZSA-N 1 0 428.540 2.590 50 0 IFAARO O=C(c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)N1CCN(c2ccccn2)CC1 ZINC000065255882 569122994 /nfs/dbraw/zinc/12/29/94/569122994.db2.gz DXXJDMVNUQTFME-JOCHJYFZSA-N 1 0 428.540 2.590 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000065270879 569127597 /nfs/dbraw/zinc/12/75/97/569127597.db2.gz UGDWTTOYXYTHOO-UHFFFAOYSA-N 1 0 429.524 2.913 50 0 IFAARO COc1ccc(C[NH+]2CCC(NC(=O)c3c4c(sc3-n3cnnn3)CCC4)CC2)cc1 ZINC000524734509 569127810 /nfs/dbraw/zinc/12/78/10/569127810.db2.gz LMRRFCSGXLRWGV-UHFFFAOYSA-N 1 0 438.557 2.616 50 0 IFAARO Cc1scc2nc(C(=O)NCCCOC3CC[NH+](C)CC3)nc(N3CCSCC3)c12 ZINC000065283427 569130087 /nfs/dbraw/zinc/13/00/87/569130087.db2.gz IERFROMHVVTGSQ-UHFFFAOYSA-N 1 0 449.646 2.784 50 0 IFAARO OCCNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1cnn2-c1ccc(F)cc1 ZINC000036656923 569130236 /nfs/dbraw/zinc/13/02/36/569130236.db2.gz RXQZODPYEVNAET-UHFFFAOYSA-N 1 0 447.518 2.681 50 0 IFAARO CC1CCN(c2ncnc3c2cnn3CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000065295573 569131502 /nfs/dbraw/zinc/13/15/02/569131502.db2.gz YQHPKGIGVPDMHR-UHFFFAOYSA-N 1 0 447.587 2.843 50 0 IFAARO C[NH+](C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](O)c1ccccc1 ZINC000065491277 569138677 /nfs/dbraw/zinc/13/86/77/569138677.db2.gz SRMYXPRXYVKNIU-VBKZILBWSA-N 1 0 432.908 2.704 50 0 IFAARO COc1cccc([C@H](CNC(=O)[C@@](N)(c2cccc(OC)c2)C(F)(F)F)[NH+](C)C)c1 ZINC000170607844 569144432 /nfs/dbraw/zinc/14/44/32/569144432.db2.gz XQEUTWSQYUMDLX-ICSRJNTNSA-N 1 0 425.451 2.839 50 0 IFAARO COc1cccc([C@@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC000170607825 569144443 /nfs/dbraw/zinc/14/44/43/569144443.db2.gz NWJKFVIDYRMAAT-UYAOXDASSA-N 1 0 446.548 2.618 50 0 IFAARO O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000207978982 569145705 /nfs/dbraw/zinc/14/57/05/569145705.db2.gz FTNHNYNLAWYMHQ-UHFFFAOYSA-N 1 0 431.500 2.622 50 0 IFAARO COc1cc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc(OC)c1 ZINC000013579223 569156181 /nfs/dbraw/zinc/15/61/81/569156181.db2.gz YHJQKHAMPIQDOJ-IBGZPJMESA-N 1 0 438.513 2.830 50 0 IFAARO COC(=O)c1ccccc1NC(=O)CSC1=N[C@@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1 ZINC000013579096 569156185 /nfs/dbraw/zinc/15/61/85/569156185.db2.gz XZALUMMUCXTOIM-SFHVURJKSA-N 1 0 436.497 2.599 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 ZINC000014520493 569159257 /nfs/dbraw/zinc/15/92/57/569159257.db2.gz RERDVJRKXAZUDZ-HXUWFJFHSA-N 1 0 449.580 2.875 50 0 IFAARO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCc1cccc(O)c1 ZINC000089702547 569161793 /nfs/dbraw/zinc/16/17/93/569161793.db2.gz OOSDVTCAMVIAIH-NRFANRHFSA-N 1 0 447.539 2.642 50 0 IFAARO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc(I)c1 ZINC000089834867 569165328 /nfs/dbraw/zinc/16/53/28/569165328.db2.gz BWAAWVZMZQJGFK-HUUCEWRRSA-N 1 0 442.322 2.718 50 0 IFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)C2)cc1 ZINC000009211341 569175287 /nfs/dbraw/zinc/17/52/87/569175287.db2.gz LORHSSFMCXPPBY-LJQANCHMSA-N 1 0 429.524 2.825 50 0 IFAARO O=C1COc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(Cl)cc2N1 ZINC000009432334 569177110 /nfs/dbraw/zinc/17/71/10/569177110.db2.gz YQYXAENYDCQLBO-UHFFFAOYSA-N 1 0 435.933 2.614 50 0 IFAARO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)C[C@@H]1C ZINC000252503485 569188085 /nfs/dbraw/zinc/18/80/85/569188085.db2.gz VDKDZQUEIAPUKF-UNMCSNQZSA-N 1 0 443.592 2.810 50 0 IFAARO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC000252503484 569188104 /nfs/dbraw/zinc/18/81/04/569188104.db2.gz VDKDZQUEIAPUKF-RBBKRZOGSA-N 1 0 443.592 2.810 50 0 IFAARO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2=O)cc1 ZINC000252510529 569188624 /nfs/dbraw/zinc/18/86/24/569188624.db2.gz ZMXUHZICUKVDSH-GBXCKJPGSA-N 1 0 426.561 2.675 50 0 IFAARO O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252569074 569191061 /nfs/dbraw/zinc/19/10/61/569191061.db2.gz VXENKVFMDBFXKA-PWRODBHTSA-N 1 0 426.561 2.515 50 0 IFAARO CN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCC[NH+](C)C)C1 ZINC000002205522 569193061 /nfs/dbraw/zinc/19/30/61/569193061.db2.gz HDUMSGFZDKSKFC-UHFFFAOYSA-N 1 0 432.977 2.807 50 0 IFAARO C[NH+](C)CCNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2ccccc2Cl)o1 ZINC000037435680 569196154 /nfs/dbraw/zinc/19/61/54/569196154.db2.gz TZGIXVBNQLXXET-ATJXCDBQSA-N 1 0 432.933 2.877 50 0 IFAARO C[NH+](C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000037524237 569198615 /nfs/dbraw/zinc/19/86/15/569198615.db2.gz URSBWOHLJAMTIN-UHFFFAOYSA-N 1 0 430.499 2.655 50 0 IFAARO O=C(CN1CC[C@@H](C(CO)CO)C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000252669969 569209922 /nfs/dbraw/zinc/20/99/22/569209922.db2.gz JDFTVFVUWMDKIY-UZLBHIALSA-N 1 0 431.920 2.533 50 0 IFAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819713 569211452 /nfs/dbraw/zinc/21/14/52/569211452.db2.gz DDJVPNSCQCLTFO-HXUWFJFHSA-N 1 0 439.604 2.990 50 0 IFAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)n1 ZINC000581819725 569211471 /nfs/dbraw/zinc/21/14/71/569211471.db2.gz FDIHWHWBQPSSHG-QFIPXVFZSA-N 1 0 437.588 2.879 50 0 IFAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819701 569211477 /nfs/dbraw/zinc/21/14/77/569211477.db2.gz CMLTYOKDBFTGQE-LJQANCHMSA-N 1 0 425.577 2.743 50 0 IFAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581820094 569211766 /nfs/dbraw/zinc/21/17/66/569211766.db2.gz QNYWXVDXDADDDG-QHCPKHFHSA-N 1 0 449.661 2.804 50 0 IFAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581820093 569211771 /nfs/dbraw/zinc/21/17/71/569211771.db2.gz QNYWXVDXDADDDG-HSZRJFAPSA-N 1 0 449.661 2.804 50 0 IFAARO Cc1ncccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820153 569211782 /nfs/dbraw/zinc/21/17/82/569211782.db2.gz VEJZAUZGXKKLBJ-OAQYLSRUSA-N 1 0 435.572 2.761 50 0 IFAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000581820155 569211800 /nfs/dbraw/zinc/21/18/00/569211800.db2.gz VOPLVWGVFNSJAA-NRFANRHFSA-N 1 0 430.593 2.518 50 0 IFAARO O=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1[NH2+]C1CCCCC1 ZINC000107988099 569258762 /nfs/dbraw/zinc/25/87/62/569258762.db2.gz AJSNGWPXOSLKIO-PMACEKPBSA-N 1 0 431.577 2.613 50 0 IFAARO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078879463 569319986 /nfs/dbraw/zinc/31/99/86/569319986.db2.gz WCOYACFNYRYJGS-UHFFFAOYSA-N 1 0 433.556 2.921 50 0 IFAARO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000079096488 569325352 /nfs/dbraw/zinc/32/53/52/569325352.db2.gz PYDPXGHPUAXYGQ-SFHVURJKSA-N 1 0 433.599 2.927 50 0 IFAARO O=C1NCCc2ccc(S(=O)(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)cc21 ZINC000079108154 569325814 /nfs/dbraw/zinc/32/58/14/569325814.db2.gz LVGBMEJSRAYBNB-UHFFFAOYSA-N 1 0 447.988 2.913 50 0 IFAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCC(OC)OC)CC3)c(C)o2)cc1OC ZINC000020240686 569357692 /nfs/dbraw/zinc/35/76/92/569357692.db2.gz JELYCYJOHOVVTR-UHFFFAOYSA-N 1 0 447.532 2.614 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1 ZINC000020285127 569359094 /nfs/dbraw/zinc/35/90/94/569359094.db2.gz QYVXITJEKFITHY-UHFFFAOYSA-N 1 0 430.618 2.647 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417344 569364921 /nfs/dbraw/zinc/36/49/21/569364921.db2.gz SCKICWVDUFHROW-HXUWFJFHSA-N 1 0 439.535 2.603 50 0 IFAARO CC[NH+](CC)CCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3Cl)c(C)c2c1=O ZINC000020417676 569365060 /nfs/dbraw/zinc/36/50/60/569365060.db2.gz UIWKFUVQXRSLJM-UHFFFAOYSA-N 1 0 443.979 2.975 50 0 IFAARO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000095430482 569366135 /nfs/dbraw/zinc/36/61/35/569366135.db2.gz NCSHHLFIFHJFRV-RXVVDRJESA-N 1 0 430.593 2.952 50 0 IFAARO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 ZINC000095456451 569368843 /nfs/dbraw/zinc/36/88/43/569368843.db2.gz LDBZECHJLWZJSG-NRFANRHFSA-N 1 0 443.569 2.584 50 0 IFAARO COC(=O)c1cc(S(=O)(=O)Nc2cc[nH+]c(C)c2)ccc1I ZINC000095466408 569370950 /nfs/dbraw/zinc/37/09/50/569370950.db2.gz LGBJXDOMQCFCOZ-UHFFFAOYSA-N 1 0 432.239 2.582 50 0 IFAARO COc1cn(CC(=O)N2CCO[C@H](c3ccccc3)C2)c(C[NH+]2CCCCCC2)cc1=O ZINC000095478805 569373535 /nfs/dbraw/zinc/37/35/35/569373535.db2.gz OBSJYWLMOXDQOQ-QHCPKHFHSA-N 1 0 439.556 2.833 50 0 IFAARO Cc1cc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)N2CC[NH+](C)CC2)ccc1F ZINC000020890334 569374982 /nfs/dbraw/zinc/37/49/82/569374982.db2.gz DCGFDUWPUQYSST-JOCHJYFZSA-N 1 0 430.549 2.882 50 0 IFAARO CCc1ccc(S(=O)(=O)NCc2nn(CC[NH+]3CCCC3)c(=O)c3ccccc23)s1 ZINC000096024236 569380475 /nfs/dbraw/zinc/38/04/75/569380475.db2.gz YKIOTNWAVNRZRL-UHFFFAOYSA-N 1 0 446.598 2.595 50 0 IFAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000096098695 569381584 /nfs/dbraw/zinc/38/15/84/569381584.db2.gz LGGFKJIYSVJWII-UHFFFAOYSA-N 1 0 436.438 2.686 50 0 IFAARO CCC(CC)[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398484 569399722 /nfs/dbraw/zinc/39/97/22/569399722.db2.gz JOEMURGGOHGXMZ-KRWDZBQOSA-N 1 0 433.618 2.658 50 0 IFAARO Cc1nn(CC(=O)NCCC[NH+]2CCCCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400177 569400393 /nfs/dbraw/zinc/40/03/93/569400393.db2.gz OLTYLQIVTKFFGJ-UHFFFAOYSA-N 1 0 425.558 2.821 50 0 IFAARO CCc1ccc([C@@H]2NC(=O)N=C(CN3CCC([NH+]4CCCCC4)CC3)C2C(=O)OC)cc1 ZINC000057415169 569433998 /nfs/dbraw/zinc/43/39/98/569433998.db2.gz KVYOISZHHSVUMS-QHCPKHFHSA-N 1 0 440.588 2.980 50 0 IFAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@H](C)O1 ZINC000031413567 569456385 /nfs/dbraw/zinc/45/63/85/569456385.db2.gz DXNUTDYWHJQKHE-LVCYWYKZSA-N 1 0 425.529 2.554 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000031815243 569457949 /nfs/dbraw/zinc/45/79/49/569457949.db2.gz MMCQWVLEAZAZPW-RDJZCZTQSA-N 1 0 425.558 2.806 50 0 IFAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000670457479 569458880 /nfs/dbraw/zinc/45/88/80/569458880.db2.gz AVCIHNMMQHYPCP-JOCHJYFZSA-N 1 0 435.568 2.844 50 0 IFAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670459517 569460637 /nfs/dbraw/zinc/46/06/37/569460637.db2.gz IEMDFALNPWKFBS-BAOIDCNMSA-N 1 0 427.552 2.683 50 0 IFAARO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+]CCCN1CCOCC1)C[C@H](C)CC2 ZINC000008709270 569470701 /nfs/dbraw/zinc/47/07/01/569470701.db2.gz LTTHSDCYRHEPRZ-HZPDHXFCSA-N 1 0 437.606 2.689 50 0 IFAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cc1)N1CCCCC1 ZINC000040040710 569483515 /nfs/dbraw/zinc/48/35/15/569483515.db2.gz FCKXGSVWORYTMY-UHFFFAOYSA-N 1 0 429.521 2.871 50 0 IFAARO CSc1ncc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1-c1ccc(F)cc1 ZINC000040151639 569493292 /nfs/dbraw/zinc/49/32/92/569493292.db2.gz IAYYOSANXPNAND-UHFFFAOYSA-N 1 0 440.548 2.810 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1ccc(C)cc12 ZINC000009042304 569497753 /nfs/dbraw/zinc/49/77/53/569497753.db2.gz YSPQCOHYEDVYBI-VFPBMGFPSA-N 1 0 429.904 2.802 50 0 IFAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]CCOC)c1 ZINC000009119500 569503512 /nfs/dbraw/zinc/50/35/12/569503512.db2.gz MPYSXUZBMQTPNM-UHFFFAOYSA-N 1 0 425.938 2.730 50 0 IFAARO O=C(CSc1nnnn1Cc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009155140 569508264 /nfs/dbraw/zinc/50/82/64/569508264.db2.gz PKHLEOXSGHUSJK-UHFFFAOYSA-N 1 0 428.587 2.656 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276368 569518425 /nfs/dbraw/zinc/51/84/25/569518425.db2.gz PWPBOUGOPBHFPP-LJQANCHMSA-N 1 0 446.617 2.807 50 0 IFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009287545 569519305 /nfs/dbraw/zinc/51/93/05/569519305.db2.gz FSQPVRBVZJWHLR-SFHVURJKSA-N 1 0 448.637 2.652 50 0 IFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(OC)c2OC)N(CC[NH+](C)C)C1=O ZINC000009303102 569521021 /nfs/dbraw/zinc/52/10/21/569521021.db2.gz VDPLZFWUFCYWOH-HXUWFJFHSA-N 1 0 438.480 2.926 50 0 IFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009417674 569532445 /nfs/dbraw/zinc/53/24/45/569532445.db2.gz LVTPXFPJIWLDEE-SFHVURJKSA-N 1 0 437.562 2.557 50 0 IFAARO O=C(CNC(=O)c1cccc(Br)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009670776 569558365 /nfs/dbraw/zinc/55/83/65/569558365.db2.gz PULASGCEDQBLPB-UHFFFAOYSA-N 1 0 430.346 2.960 50 0 IFAARO CCCCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714081 569562678 /nfs/dbraw/zinc/56/26/78/569562678.db2.gz HTWYOGCWEZDUEE-UHFFFAOYSA-N 1 0 438.576 2.634 50 0 IFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009766636 569566871 /nfs/dbraw/zinc/56/68/71/569566871.db2.gz NKFPTUPIGVBLKN-LJQANCHMSA-N 1 0 433.599 2.559 50 0 IFAARO Cc1cn2c3c(nc2n1[C@H](C)c1ccccc1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000010233505 569579641 /nfs/dbraw/zinc/57/96/41/569579641.db2.gz WOSZVOMHHGUYBL-GOSISDBHSA-N 1 0 434.544 2.553 50 0 IFAARO O=C(Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1)[C@@H]1COc2ccccc2O1 ZINC000077200563 569586442 /nfs/dbraw/zinc/58/64/42/569586442.db2.gz NTLSGRYANHDEEC-NRFANRHFSA-N 1 0 431.496 2.577 50 0 IFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2c(OC)cccc2OC)CC1 ZINC000004712233 132272986 /nfs/dbraw/zinc/27/29/86/132272986.db2.gz VYDSTEOVIIBXIB-UHFFFAOYSA-N 1 0 427.501 2.885 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211120 132308955 /nfs/dbraw/zinc/30/89/55/132308955.db2.gz XNQCNWHHNTUFFF-IBGZPJMESA-N 1 0 439.608 2.761 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211285 132309197 /nfs/dbraw/zinc/30/91/97/132309197.db2.gz CHBCVJSXUSUCOY-UHFFFAOYSA-N 1 0 439.608 2.761 50 0 IFAARO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(C)C ZINC000014190535 132356589 /nfs/dbraw/zinc/35/65/89/132356589.db2.gz XMCJLTVXZJIQCC-UHFFFAOYSA-N 1 0 441.502 2.595 50 0 IFAARO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)cc1 ZINC000035422074 519709355 /nfs/dbraw/zinc/70/93/55/519709355.db2.gz GPJWIWNPZLNCBC-UHFFFAOYSA-N 1 0 442.947 2.763 50 0 IFAARO CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000012710567 519763417 /nfs/dbraw/zinc/76/34/17/519763417.db2.gz IXNLYLCNPHYHSQ-XMMPIXPASA-N 1 0 437.584 2.940 50 0 IFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cc(OC)c(OC)c(OC)c2)C3)CC1 ZINC000021039689 519860840 /nfs/dbraw/zinc/86/08/40/519860840.db2.gz ABMNXXZXWBSJJG-UHFFFAOYSA-N 1 0 441.576 2.593 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991259 520513495 /nfs/dbraw/zinc/51/34/95/520513495.db2.gz SXPAPQMLJDQAAB-JOCHJYFZSA-N 1 0 428.577 2.961 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)COc1ncnc2ccccc21 ZINC000012581922 520977702 /nfs/dbraw/zinc/97/77/02/520977702.db2.gz ZEALMKQWMRHHAS-UHFFFAOYSA-N 1 0 425.577 2.663 50 0 IFAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(COc4ccccc4)no3)CC2)C1 ZINC000012432417 521114652 /nfs/dbraw/zinc/11/46/52/521114652.db2.gz BXFVTMLEAUOOBB-GOSISDBHSA-N 1 0 428.533 2.888 50 0 IFAARO CCCCn1c(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022421631 521370544 /nfs/dbraw/zinc/37/05/44/521370544.db2.gz JKWOOCVTKJAOFM-UHFFFAOYSA-N 1 0 446.555 2.699 50 0 IFAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2)c1N ZINC000021652105 521579000 /nfs/dbraw/zinc/57/90/00/521579000.db2.gz LUAMCHAITUGQDY-UHFFFAOYSA-N 1 0 447.539 2.809 50 0 IFAARO CCOC(=O)c1n[nH]cc1CN(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012302196 521596385 /nfs/dbraw/zinc/59/63/85/521596385.db2.gz QNQATVBXBUPPFG-LJQANCHMSA-N 1 0 440.588 2.914 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021538029 521680280 /nfs/dbraw/zinc/68/02/80/521680280.db2.gz KLOWEDHCIYHDEP-UHFFFAOYSA-N 1 0 449.555 2.926 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000012522067 521698344 /nfs/dbraw/zinc/69/83/44/521698344.db2.gz NXFLWZXEUANZFO-UHFFFAOYSA-N 1 0 433.512 2.810 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 ZINC000012863038 522070242 /nfs/dbraw/zinc/07/02/42/522070242.db2.gz SDAMGKZYWOXNJE-QGZVFWFLSA-N 1 0 439.578 2.707 50 0 IFAARO COc1cc(C(=O)N2CCCN(C=O)CC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012455387 522073828 /nfs/dbraw/zinc/07/38/28/522073828.db2.gz CSXKNYGQGKEIPN-UHFFFAOYSA-N 1 0 429.561 2.785 50 0 IFAARO COc1cc(C(=O)N[C@H](C)C(=O)NCC2([NH+](C)C)CCCCCC2)cc(OC)c1OC ZINC000021200307 522139980 /nfs/dbraw/zinc/13/99/80/522139980.db2.gz MPIXSNKPEDIXKW-MRXNPFEDSA-N 1 0 435.565 2.602 50 0 IFAARO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)CC1CCCCC1 ZINC000012923163 522504569 /nfs/dbraw/zinc/50/45/69/522504569.db2.gz DEFXZIYSDYLNNI-UHFFFAOYSA-N 1 0 443.997 2.812 50 0 IFAARO COc1cc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(C)cc1C ZINC000021794663 522895270 /nfs/dbraw/zinc/89/52/70/522895270.db2.gz LQTMGFPLUQLFCU-UHFFFAOYSA-N 1 0 445.589 2.522 50 0 IFAARO COc1ccc(-c2c(C)oc3cc(OCCN4CC[NH+](CCO)CC4)ccc3c2=O)cc1 ZINC000020622406 523079788 /nfs/dbraw/zinc/07/97/88/523079788.db2.gz GNFQMNVOSIZUSZ-UHFFFAOYSA-N 1 0 438.524 2.766 50 0 IFAARO CCn1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561298 523115942 /nfs/dbraw/zinc/11/59/42/523115942.db2.gz CDLMVYHWGOKBAY-QGZVFWFLSA-N 1 0 434.606 2.763 50 0 IFAARO COc1ccc(-c2coc3c(C)c(OCCN4CC[NH+](CCO)CC4)ccc3c2=O)cc1 ZINC000020624119 523157939 /nfs/dbraw/zinc/15/79/39/523157939.db2.gz MYSIBTJKGZAYEX-UHFFFAOYSA-N 1 0 438.524 2.766 50 0 IFAARO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1 ZINC000035325662 523298877 /nfs/dbraw/zinc/29/88/77/523298877.db2.gz CCXDYTNEXBOJFR-IEBWSBKVSA-N 1 0 427.549 2.952 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[NH+]4CCCCC4)C3)ccc21 ZINC000021937985 523496922 /nfs/dbraw/zinc/49/69/22/523496922.db2.gz WXAIMQNIIPHCQD-HXUWFJFHSA-N 1 0 446.617 2.664 50 0 IFAARO CN(Cc1ncc[nH]1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000020600307 523585885 /nfs/dbraw/zinc/58/58/85/523585885.db2.gz KVJKVPHQEYDQBQ-UHFFFAOYSA-N 1 0 435.576 2.780 50 0 IFAARO CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000012582630 523845229 /nfs/dbraw/zinc/84/52/29/523845229.db2.gz HLZWZSCPUHAHRU-DEOSSOPVSA-N 1 0 435.568 2.646 50 0 IFAARO CN1CCN(c2nnc(-n3cccc3CN3CCC([NH+]4CCCCC4)CC3)s2)CC1 ZINC000021880788 523930739 /nfs/dbraw/zinc/93/07/39/523930739.db2.gz SQJLWDVVHSEYSI-UHFFFAOYSA-N 1 0 429.638 2.531 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000035375087 523945699 /nfs/dbraw/zinc/94/56/99/523945699.db2.gz XFGCKMHBTHYXGS-FZCZDDNOSA-N 1 0 447.535 2.771 50 0 IFAARO CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000033034036 523998230 /nfs/dbraw/zinc/99/82/30/523998230.db2.gz XFWAOJQTXNEJGT-KRWDZBQOSA-N 1 0 430.574 2.734 50 0 IFAARO CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[NH+](C)C)cc1 ZINC000022684046 524029107 /nfs/dbraw/zinc/02/91/07/524029107.db2.gz XDUVOUSIGPHKBH-JOCHJYFZSA-N 1 0 429.586 2.994 50 0 IFAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(OCCO)c3)C[C@@H]2CCO)c(C)c1C ZINC000020910886 524032921 /nfs/dbraw/zinc/03/29/21/524032921.db2.gz CZOIACHOGKVWIG-QHCPKHFHSA-N 1 0 428.573 2.752 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C ZINC000020912945 524039933 /nfs/dbraw/zinc/03/99/33/524039933.db2.gz RKTYCODTUIGACX-SFHVURJKSA-N 1 0 434.544 2.848 50 0 IFAARO COc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCCO3)C[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000014742187 524041263 /nfs/dbraw/zinc/04/12/63/524041263.db2.gz FPWJJEWNWZCBAM-YPAWHYETSA-N 1 0 445.604 2.533 50 0 IFAARO Cc1ccc(C)c(C(=O)N2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)c1 ZINC000011956822 524084854 /nfs/dbraw/zinc/08/48/54/524084854.db2.gz GDNTYJQSDHIFMN-QFIPXVFZSA-N 1 0 427.589 2.915 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020557053 524108478 /nfs/dbraw/zinc/10/84/78/524108478.db2.gz OIVIGAHSDYTHNN-GOSISDBHSA-N 1 0 439.608 2.760 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000021962359 524193335 /nfs/dbraw/zinc/19/33/35/524193335.db2.gz NKYMHCOZNXEMMD-UHFFFAOYSA-N 1 0 429.586 2.884 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)[NH2+][C@@]12C(=O)Nc1ccc(C)cc12 ZINC000016027111 524237219 /nfs/dbraw/zinc/23/72/19/524237219.db2.gz YSPQCOHYEDVYBI-RYSXHEAUSA-N 1 0 429.904 2.802 50 0 IFAARO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000022796398 524278312 /nfs/dbraw/zinc/27/83/12/524278312.db2.gz WHDXLUCHGACONT-OAQYLSRUSA-N 1 0 426.536 2.794 50 0 IFAARO Cc1cccc(C)c1OCCOC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020500921 524317023 /nfs/dbraw/zinc/31/70/23/524317023.db2.gz GFAPZVUZBPTEKK-JOCHJYFZSA-N 1 0 442.556 2.606 50 0 IFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 ZINC000012212733 524320563 /nfs/dbraw/zinc/32/05/63/524320563.db2.gz XTCNLVYWNWWXAP-VMPITWQZSA-N 1 0 446.555 2.502 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000032987813 524658416 /nfs/dbraw/zinc/65/84/16/524658416.db2.gz AXSLDGAJEDODII-UHFFFAOYSA-N 1 0 431.562 2.724 50 0 IFAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2ccc(F)cc2)c1 ZINC000012455502 524972431 /nfs/dbraw/zinc/97/24/31/524972431.db2.gz LNZLVUOBUIMFHK-JOCHJYFZSA-N 1 0 432.536 2.663 50 0 IFAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012465821 525063997 /nfs/dbraw/zinc/06/39/97/525063997.db2.gz TVRKVEZRLHAHRR-GOSISDBHSA-N 1 0 432.542 2.657 50 0 IFAARO Cc1ccccc1N1CCCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC2CCCCC2)CC1 ZINC000020997050 525220637 /nfs/dbraw/zinc/22/06/37/525220637.db2.gz IKFMJOHUPOMEES-HSZRJFAPSA-N 1 0 426.605 2.805 50 0 IFAARO COc1ccc2c(C)c(CC(=O)NCC3([NH+]4CCN(C)CC4)CCCCC3)c(=O)oc2c1 ZINC000020622835 525497337 /nfs/dbraw/zinc/49/73/37/525497337.db2.gz BKISNUFQJNJHDD-UHFFFAOYSA-N 1 0 441.572 2.719 50 0 IFAARO COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@H]([NH+](C)C)C4)c3C)ncc1CC2 ZINC000014987789 525506184 /nfs/dbraw/zinc/50/61/84/525506184.db2.gz CXPYOCGUVKOHIF-SFHVURJKSA-N 1 0 432.528 2.521 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000012910983 525519135 /nfs/dbraw/zinc/51/91/35/525519135.db2.gz YDAWSAPDTOIANP-IBGZPJMESA-N 1 0 435.615 2.876 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1C ZINC000012568636 525538970 /nfs/dbraw/zinc/53/89/70/525538970.db2.gz MBUXFVHYCBDZHD-QFIPXVFZSA-N 1 0 444.601 2.622 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020519191 525557892 /nfs/dbraw/zinc/55/78/92/525557892.db2.gz TYLRUVIEZBZHEU-YJXLLHPSSA-N 1 0 433.961 2.756 50 0 IFAARO Cc1cc2c(cc1S(=O)(=O)NCC1CC[NH+](Cc3ccccc3F)CC1)OCC(=O)N2 ZINC000021108544 525616291 /nfs/dbraw/zinc/61/62/91/525616291.db2.gz WFBSJNGITYABCC-UHFFFAOYSA-N 1 0 447.532 2.656 50 0 IFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4nnc(C)[nH]4)C3)C2)c1OC ZINC000012303534 525938724 /nfs/dbraw/zinc/93/87/24/525938724.db2.gz RFBHNBPFMGMYGX-HSZRJFAPSA-N 1 0 427.549 2.578 50 0 IFAARO C[C@H](C1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)CC1)[NH+]1CCCC1 ZINC000012444373 526217058 /nfs/dbraw/zinc/21/70/58/526217058.db2.gz LKIPHKGVNFCSBI-LJQANCHMSA-N 1 0 425.577 2.503 50 0 IFAARO O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000020466313 526382303 /nfs/dbraw/zinc/38/23/03/526382303.db2.gz ZJRJSOMZJPHLHS-UHFFFAOYSA-N 1 0 442.604 2.649 50 0 IFAARO O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000041098182 526442682 /nfs/dbraw/zinc/44/26/82/526442682.db2.gz OHJDMSVVJURXPW-VQIMIIECSA-N 1 0 427.998 2.779 50 0 IFAARO O=C(CC[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000012094322 526568836 /nfs/dbraw/zinc/56/88/36/526568836.db2.gz WVZGCZOGPAQJRX-JOCHJYFZSA-N 1 0 441.620 2.625 50 0 IFAARO O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012791602 526710574 /nfs/dbraw/zinc/71/05/74/526710574.db2.gz FTHNLHDWEBVFSR-UHFFFAOYSA-N 1 0 428.558 2.609 50 0 IFAARO NC(=O)c1ccc(N2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000012386424 527055954 /nfs/dbraw/zinc/05/59/54/527055954.db2.gz ZCSLFOKWWZIWIZ-JOCHJYFZSA-N 1 0 435.572 2.568 50 0 IFAARO Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCC[NH+]2CCCCC2)c2ccccc21 ZINC000021645636 527130734 /nfs/dbraw/zinc/13/07/34/527130734.db2.gz OEZPWGOLRXLQEQ-UHFFFAOYSA-N 1 0 448.571 2.771 50 0 IFAARO O=C(Nc1ccc2c(c1)OCO2)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035485545 527287433 /nfs/dbraw/zinc/28/74/33/527287433.db2.gz KNFDXNCZWASWKH-BPZDKFOGSA-N 1 0 435.524 2.991 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000002661199 536107708 /nfs/dbraw/zinc/10/77/08/536107708.db2.gz XOPQAODAANUBHA-UHFFFAOYSA-N 1 0 436.965 2.594 50 0 IFAARO CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000010080170 555691142 /nfs/dbraw/zinc/69/11/42/555691142.db2.gz CPMGJQCFFVPEDU-UHFFFAOYSA-N 1 0 443.013 2.620 50 0 IFAARO Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000071889581 555725711 /nfs/dbraw/zinc/72/57/11/555725711.db2.gz KVIVSTRFLNAXJF-GOSISDBHSA-N 1 0 431.540 2.995 50 0 IFAARO COC(=O)CC(=O)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697696 555811545 /nfs/dbraw/zinc/81/15/45/555811545.db2.gz HSMCYPGVCAFSLR-NZQKXSOJSA-N 1 0 439.531 2.753 50 0 IFAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)C3CC3)c(C)nn2-c2ccccc2)CC1 ZINC000034831867 555912650 /nfs/dbraw/zinc/91/26/50/555912650.db2.gz VHJGVLDDYRXJGQ-UHFFFAOYSA-N 1 0 425.577 2.708 50 0 IFAARO COc1cccc(NC(=O)[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000034863166 555925195 /nfs/dbraw/zinc/92/51/95/555925195.db2.gz FXDPPCSSWMCCOC-JOCHJYFZSA-N 1 0 439.537 2.855 50 0 IFAARO COCC(=O)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912385 555934213 /nfs/dbraw/zinc/93/42/13/555934213.db2.gz QUAUIBQKQQUDKG-UHFFFAOYSA-N 1 0 441.616 2.817 50 0 IFAARO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000071917002 556151322 /nfs/dbraw/zinc/15/13/22/556151322.db2.gz DAMHLVCXOJJDOS-UHFFFAOYSA-N 1 0 433.560 2.635 50 0 IFAARO COc1ccc(NC(=O)COc2ccc(C[NH2+]CCCN3CCOCC3)cc2OC)cc1 ZINC000008682849 556199579 /nfs/dbraw/zinc/19/95/79/556199579.db2.gz KPULOOJNQVPQCZ-UHFFFAOYSA-N 1 0 443.544 2.533 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000009933868 556317280 /nfs/dbraw/zinc/31/72/80/556317280.db2.gz UPCKZNZDINBZJJ-GOSISDBHSA-N 1 0 427.526 2.673 50 0 IFAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)cc1 ZINC000011782822 556351394 /nfs/dbraw/zinc/35/13/94/556351394.db2.gz PEOBRYCMRMMGBF-VQTJNVASSA-N 1 0 428.529 2.614 50 0 IFAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)cc1 ZINC000011782824 556351401 /nfs/dbraw/zinc/35/14/01/556351401.db2.gz PEOBRYCMRMMGBF-PMACEKPBSA-N 1 0 428.529 2.614 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014022229 556357038 /nfs/dbraw/zinc/35/70/38/556357038.db2.gz FUUSMKYSZXZWCT-JOCHJYFZSA-N 1 0 445.560 2.760 50 0 IFAARO CCOc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)ccc1OC ZINC000011813985 556357590 /nfs/dbraw/zinc/35/75/90/556357590.db2.gz OTFGAIVWYFUFMR-IBGZPJMESA-N 1 0 442.560 2.771 50 0 IFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1OC ZINC000011839321 556364127 /nfs/dbraw/zinc/36/41/27/556364127.db2.gz UEYOOZDRVFLXHH-DEOSSOPVSA-N 1 0 429.561 2.531 50 0 IFAARO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000011995394 556383762 /nfs/dbraw/zinc/38/37/62/556383762.db2.gz GKBQCBHVPJENBP-NRFANRHFSA-N 1 0 443.573 2.843 50 0 IFAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[NH+]1CCCC1 ZINC000014227733 556395545 /nfs/dbraw/zinc/39/55/45/556395545.db2.gz KMHPVSJZLINTEZ-HXUWFJFHSA-N 1 0 431.558 2.512 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014235341 556399137 /nfs/dbraw/zinc/39/91/37/556399137.db2.gz NBQLVSLQOGTUOW-SJORKVTESA-N 1 0 437.587 2.695 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014235350 556399182 /nfs/dbraw/zinc/39/91/82/556399182.db2.gz NBQLVSLQOGTUOW-IRXDYDNUSA-N 1 0 437.587 2.695 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000012184497 556402773 /nfs/dbraw/zinc/40/27/73/556402773.db2.gz XKKFLCRQWFCMTM-QFIPXVFZSA-N 1 0 434.544 2.867 50 0 IFAARO CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000014249964 556408377 /nfs/dbraw/zinc/40/83/77/556408377.db2.gz QFOPDXTYZVMDJT-FQEVSTJZSA-N 1 0 431.558 2.949 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014536746 556423763 /nfs/dbraw/zinc/42/37/63/556423763.db2.gz IJCRIWUFKOYBAG-UHFFFAOYSA-N 1 0 448.567 2.884 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014538451 556424348 /nfs/dbraw/zinc/42/43/48/556424348.db2.gz MSGAGFZVUVTAMY-QGZVFWFLSA-N 1 0 432.515 2.937 50 0 IFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014538546 556424588 /nfs/dbraw/zinc/42/45/88/556424588.db2.gz CBOJFSPVJQSJCH-UHFFFAOYSA-N 1 0 438.528 2.536 50 0 IFAARO CC[C@H](C)CNc1cc(C(=O)N2CCC[N@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732301 556437165 /nfs/dbraw/zinc/43/71/65/556437165.db2.gz KQISLYCLWKXUKC-KRWDZBQOSA-N 1 0 438.638 2.999 50 0 IFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733527 556437865 /nfs/dbraw/zinc/43/78/65/556437865.db2.gz BBNQKFREYRNHNM-SVFBPWRDSA-N 1 0 443.636 2.570 50 0 IFAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@H](C)CO)CC2 ZINC000014743167 556439645 /nfs/dbraw/zinc/43/96/45/556439645.db2.gz ACLSXJQSGCZNGT-LJQANCHMSA-N 1 0 439.556 2.856 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccs1)CC2 ZINC000014746492 556441120 /nfs/dbraw/zinc/44/11/20/556441120.db2.gz LHCSTKYHPCUJCH-UHFFFAOYSA-N 1 0 428.558 2.979 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014745874 556441154 /nfs/dbraw/zinc/44/11/54/556441154.db2.gz YFJMGEGNDXJECV-UHFFFAOYSA-N 1 0 438.528 2.623 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014751796 556443674 /nfs/dbraw/zinc/44/36/74/556443674.db2.gz YFBLGIJBWRPICZ-IBGZPJMESA-N 1 0 428.552 2.840 50 0 IFAARO COc1cccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 ZINC000014752176 556443748 /nfs/dbraw/zinc/44/37/48/556443748.db2.gz UGZQLSCNWWXCAS-HXUWFJFHSA-N 1 0 440.588 2.710 50 0 IFAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+]([C@H](C)CCn4cccn4)CC3)C2=O)cc1 ZINC000014753036 556444049 /nfs/dbraw/zinc/44/40/49/556444049.db2.gz DBZVONJYWRJTEJ-GOSISDBHSA-N 1 0 425.533 2.599 50 0 IFAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000014883802 556454747 /nfs/dbraw/zinc/45/47/47/556454747.db2.gz LVVGLZSXCMBCMT-ONEGZZNKSA-N 1 0 435.503 2.927 50 0 IFAARO COc1ccc(Oc2ncccc2NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000072276859 556457095 /nfs/dbraw/zinc/45/70/95/556457095.db2.gz KPLMMFNTLDBWGK-UHFFFAOYSA-N 1 0 441.532 2.804 50 0 IFAARO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013096776 556457539 /nfs/dbraw/zinc/45/75/39/556457539.db2.gz ANFFDMPBAPNZEO-IBGZPJMESA-N 1 0 431.558 2.512 50 0 IFAARO COC(=O)[C@@H](NC(=O)c1sc2ncnc(NCC[NH+]3CCCCC3)c2c1C)C(C)C ZINC000014988743 556473558 /nfs/dbraw/zinc/47/35/58/556473558.db2.gz PNDMFCPJKQVCOB-INIZCTEOSA-N 1 0 433.578 2.825 50 0 IFAARO O=C(c1cn([C@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990946 556475050 /nfs/dbraw/zinc/47/50/50/556475050.db2.gz KDXYJWDBCVIYHJ-QHCPKHFHSA-N 1 0 436.604 2.858 50 0 IFAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000014994003 556476396 /nfs/dbraw/zinc/47/63/96/556476396.db2.gz XZUALWMXSCTHPY-LJQANCHMSA-N 1 0 431.606 2.908 50 0 IFAARO COc1ccc(CCN2C[C@@H](C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2=O)cc1OC ZINC000013130951 556480131 /nfs/dbraw/zinc/48/01/31/556480131.db2.gz NBHBYWWKRXIEAH-LEWJYISDSA-N 1 0 439.556 2.514 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000029766050 556481878 /nfs/dbraw/zinc/48/18/78/556481878.db2.gz USQCXTDLIRKUAK-KRWDZBQOSA-N 1 0 448.614 2.539 50 0 IFAARO O=C(/C=C/c1ccccc1)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000015065400 556492425 /nfs/dbraw/zinc/49/24/25/556492425.db2.gz ZHTJPQNLMIBDHB-YVSHKSEASA-N 1 0 425.573 2.698 50 0 IFAARO CCn1cc(CNC(=O)c2cccc(OC3CC[NH+](C4CCN(C)CC4)CC3)c2)cn1 ZINC000015070971 556495917 /nfs/dbraw/zinc/49/59/17/556495917.db2.gz HKWAXTIALVJLPW-UHFFFAOYSA-N 1 0 425.577 2.770 50 0 IFAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937703 556506507 /nfs/dbraw/zinc/50/65/07/556506507.db2.gz QGFFOZRTQXCLKB-DEOSSOPVSA-N 1 0 434.584 2.678 50 0 IFAARO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000032885672 556510272 /nfs/dbraw/zinc/51/02/72/556510272.db2.gz VHAWZGWFULTXBK-OAQYLSRUSA-N 1 0 425.533 2.723 50 0 IFAARO COc1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000013591612 556529715 /nfs/dbraw/zinc/52/97/15/556529715.db2.gz IIEBDKLYWIKYPU-IFQOCWFZSA-N 1 0 429.904 2.802 50 0 IFAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2)CN1Cc1ccc(Cl)cc1 ZINC000032541168 556540616 /nfs/dbraw/zinc/54/06/16/556540616.db2.gz FKFPXODAOJSAQP-UNMCSNQZSA-N 1 0 431.964 2.844 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000015671279 556542188 /nfs/dbraw/zinc/54/21/88/556542188.db2.gz OIDOOGFLOQVGRU-UHFFFAOYSA-N 1 0 429.590 2.903 50 0 IFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000015671208 556542341 /nfs/dbraw/zinc/54/23/41/556542341.db2.gz QQIRMFVWWNDGFZ-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO CC[N@H+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305220 556550634 /nfs/dbraw/zinc/55/06/34/556550634.db2.gz WUCWAHDFYDVXDH-JOCHJYFZSA-N 1 0 429.586 2.602 50 0 IFAARO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000072308458 556565002 /nfs/dbraw/zinc/56/50/02/556565002.db2.gz AVVZISFWJBGTOZ-UHFFFAOYSA-N 1 0 433.332 2.970 50 0 IFAARO CC(C)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022144 556575459 /nfs/dbraw/zinc/57/54/59/556575459.db2.gz TUBRIGMLJAQQEY-HSGJQSDISA-N 1 0 435.499 2.835 50 0 IFAARO COc1c(Br)cc(Br)cc1C[NH2+]CCSc1nnnn1C ZINC000016363656 556603396 /nfs/dbraw/zinc/60/33/96/556603396.db2.gz MDRQVNDOAVWIIX-UHFFFAOYSA-N 1 0 437.161 2.626 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000032987790 556608283 /nfs/dbraw/zinc/60/82/83/556608283.db2.gz ZENRPOMAQVAJKR-UHFFFAOYSA-N 1 0 431.562 2.724 50 0 IFAARO COc1cc(COC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000016677542 556622650 /nfs/dbraw/zinc/62/26/50/556622650.db2.gz CVQQQVSQTWWINM-FQEVSTJZSA-N 1 0 434.508 2.551 50 0 IFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000409414512 556639756 /nfs/dbraw/zinc/63/97/56/556639756.db2.gz LIIMDHOYZVIGII-CMKODMSKSA-N 1 0 427.545 2.534 50 0 IFAARO CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720560 556646568 /nfs/dbraw/zinc/64/65/68/556646568.db2.gz XUYURGPGMIYROM-UHFFFAOYSA-N 1 0 435.952 2.736 50 0 IFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 ZINC000032931454 556675449 /nfs/dbraw/zinc/67/54/49/556675449.db2.gz RHJPCVMXCZWSIB-IBGZPJMESA-N 1 0 441.597 2.895 50 0 IFAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000032933058 556676436 /nfs/dbraw/zinc/67/64/36/556676436.db2.gz UOHSGPGNTMZMIA-UHFFFAOYSA-N 1 0 436.535 2.782 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998596 556679650 /nfs/dbraw/zinc/67/96/50/556679650.db2.gz PAAQZXWTYPIEKQ-LJQANCHMSA-N 1 0 445.541 2.693 50 0 IFAARO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccco2)CC1 ZINC000011998747 556679685 /nfs/dbraw/zinc/67/96/85/556679685.db2.gz YYCWLRJMUQGEQP-IBGZPJMESA-N 1 0 445.541 2.549 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1c2cccc1C ZINC000248328311 556679932 /nfs/dbraw/zinc/67/99/32/556679932.db2.gz BQDLWEHAVJYOKK-RIDHCEEYSA-N 1 0 429.904 2.802 50 0 IFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000136635654 556690796 /nfs/dbraw/zinc/69/07/96/556690796.db2.gz RMUNWQPYCXCXOC-MSZDEVHKSA-N 1 0 443.503 2.735 50 0 IFAARO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2=O)cc1 ZINC000252510531 556691521 /nfs/dbraw/zinc/69/15/21/556691521.db2.gz ZMXUHZICUKVDSH-RDPSFJRHSA-N 1 0 426.561 2.675 50 0 IFAARO CN(C)S(=O)(=O)c1cc(NC(=O)CN(C)CCOc2ccccc2)ccc1Cl ZINC000013683088 556711017 /nfs/dbraw/zinc/71/10/17/556711017.db2.gz BUYXWVGFLHAGIJ-UHFFFAOYSA-N 1 0 425.938 2.540 50 0 IFAARO O=C(CN(Cc1ccc(Br)cc1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000033032810 556713205 /nfs/dbraw/zinc/71/32/05/556713205.db2.gz HZFVLBGNSVJLAW-UHFFFAOYSA-N 1 0 434.309 2.662 50 0 IFAARO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccccc3)c2)C1 ZINC000033033031 556713554 /nfs/dbraw/zinc/71/35/54/556713554.db2.gz MULHZBMWEQYNLK-GOSISDBHSA-N 1 0 442.585 2.769 50 0 IFAARO CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033433 556714024 /nfs/dbraw/zinc/71/40/24/556714024.db2.gz KQRYONFZCCXJEO-UHFFFAOYSA-N 1 0 444.601 2.797 50 0 IFAARO CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033033361 556714145 /nfs/dbraw/zinc/71/41/45/556714145.db2.gz XPHISUOXHVIEKM-UHFFFAOYSA-N 1 0 444.601 2.996 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC)CC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033473 556714376 /nfs/dbraw/zinc/71/43/76/556714376.db2.gz NKFTXFXSLYTGEE-UHFFFAOYSA-N 1 0 444.601 2.941 50 0 IFAARO COc1cc(CN2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc(OC)c1 ZINC000019221210 556715390 /nfs/dbraw/zinc/71/53/90/556715390.db2.gz BAKPTZCAFIXNEW-QFIPXVFZSA-N 1 0 445.604 2.675 50 0 IFAARO CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034177 556715513 /nfs/dbraw/zinc/71/55/13/556715513.db2.gz WAYSKHORBLJRGN-UHFFFAOYSA-N 1 0 430.574 2.599 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034239 556716316 /nfs/dbraw/zinc/71/63/16/556716316.db2.gz RARNLNFBOKPWRH-UHFFFAOYSA-N 1 0 442.585 2.878 50 0 IFAARO O=C(c1nc2ccccn2c1CN1CCCC[C@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000019225584 556716745 /nfs/dbraw/zinc/71/67/45/556716745.db2.gz NFQSOHVIKVWLIU-NRFANRHFSA-N 1 0 439.604 2.772 50 0 IFAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC4(O)CCCCC4)CC3)CC2)n1 ZINC000055270099 556739299 /nfs/dbraw/zinc/73/92/99/556739299.db2.gz YOKYYVDFUWQHTP-UHFFFAOYSA-N 1 0 428.621 2.878 50 0 IFAARO C[NH+](C)CCn1c(=O)nc(SCC(=O)N2CCCc3ccccc32)c2c1CCCC2 ZINC000005254451 556747298 /nfs/dbraw/zinc/74/72/98/556747298.db2.gz GDGQDLCRSHYPOL-UHFFFAOYSA-N 1 0 426.586 2.755 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)c1ccco1 ZINC000058006302 556752666 /nfs/dbraw/zinc/75/26/66/556752666.db2.gz NMFXLRNENXECPG-QGZVFWFLSA-N 1 0 435.546 2.542 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)CC1 ZINC000058100677 556757898 /nfs/dbraw/zinc/75/78/98/556757898.db2.gz KAVNMKGZAKLHAY-UHFFFAOYSA-N 1 0 442.539 2.521 50 0 IFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](O)c1ccccc1 ZINC000058146483 556761699 /nfs/dbraw/zinc/76/16/99/556761699.db2.gz XBGIHIPTYWXXSD-BEFAXECRSA-N 1 0 439.965 2.776 50 0 IFAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000058170349 556768009 /nfs/dbraw/zinc/76/80/09/556768009.db2.gz WWGWTZRJEKKJSU-QFIPXVFZSA-N 1 0 435.616 2.973 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(NC(=O)NCCCNC(=O)c3cccc(O)c3)cc2F)CC1 ZINC000058177645 556769757 /nfs/dbraw/zinc/76/97/57/556769757.db2.gz GGJGDXPKFBTDPX-UHFFFAOYSA-N 1 0 443.523 2.615 50 0 IFAARO Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1C ZINC000058180484 556770267 /nfs/dbraw/zinc/77/02/67/556770267.db2.gz YMLJJKUNGUHJNS-GOSISDBHSA-N 1 0 426.536 2.802 50 0 IFAARO C/C(=C\c1ccco1)C[N@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000064002414 556822505 /nfs/dbraw/zinc/82/25/05/556822505.db2.gz WQIIDCPHGNCXEX-OBGWFSINSA-N 1 0 437.519 2.873 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064814538 556827542 /nfs/dbraw/zinc/82/75/42/556827542.db2.gz UMRFPTQBULVPBZ-UHFFFAOYSA-N 1 0 437.516 2.564 50 0 IFAARO Cc1nc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065362677 556834576 /nfs/dbraw/zinc/83/45/76/556834576.db2.gz XZCPTZIIYKWVBK-UHFFFAOYSA-N 1 0 437.516 2.564 50 0 IFAARO Cc1c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000065363319 556835089 /nfs/dbraw/zinc/83/50/89/556835089.db2.gz ZLXWLTOVEGYRMN-UHFFFAOYSA-N 1 0 445.585 2.794 50 0 IFAARO CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC000065363716 556835217 /nfs/dbraw/zinc/83/52/17/556835217.db2.gz JNWPMTZXVHAPCL-UHFFFAOYSA-N 1 0 429.468 2.747 50 0 IFAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000065365026 556835893 /nfs/dbraw/zinc/83/58/93/556835893.db2.gz MECAFODLYZPXNU-UHFFFAOYSA-N 1 0 434.903 2.768 50 0 IFAARO Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000062613815 556841149 /nfs/dbraw/zinc/84/11/49/556841149.db2.gz IIRKDCHIULICBV-QHCPKHFHSA-N 1 0 447.539 2.795 50 0 IFAARO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000067621920 556844888 /nfs/dbraw/zinc/84/48/88/556844888.db2.gz SWVPRXPWQSVSNC-UHFFFAOYSA-N 1 0 443.569 2.765 50 0 IFAARO C[C@@H](CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)[NH+]1CCCC1 ZINC000033131512 556872161 /nfs/dbraw/zinc/87/21/61/556872161.db2.gz ADYBESCLRYLTOG-HNNXBMFYSA-N 1 0 446.038 2.682 50 0 IFAARO Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2C[NH2+]CCO2)cn1 ZINC000070466463 556875857 /nfs/dbraw/zinc/87/58/57/556875857.db2.gz SYYBDNPGDKKJDU-ZDUSSCGKSA-N 1 0 436.310 2.867 50 0 investigational IFAARO O=C(NCC[NH+]1CCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004712783 556890351 /nfs/dbraw/zinc/89/03/51/556890351.db2.gz WJHILWZIHWINBR-UHFFFAOYSA-N 1 0 427.998 2.637 50 0 IFAARO COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000019834663 556927694 /nfs/dbraw/zinc/92/76/94/556927694.db2.gz ZOBLCRBLGSJMDH-SFHVURJKSA-N 1 0 425.451 2.809 50 0 IFAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[NH+](CCC(N)=O)CC2)c(F)c1 ZINC000019836536 556928342 /nfs/dbraw/zinc/92/83/42/556928342.db2.gz FKIAXRNSGPYNFI-UHFFFAOYSA-N 1 0 437.519 2.680 50 0 IFAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 ZINC000019890263 556939276 /nfs/dbraw/zinc/93/92/76/556939276.db2.gz CGZBZWWWIGQSMX-GOSISDBHSA-N 1 0 443.935 2.809 50 0 IFAARO COc1ccccc1CC[NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000020119771 556987543 /nfs/dbraw/zinc/98/75/43/556987543.db2.gz ASAHVBKBDZSENO-IYBDPMFKSA-N 1 0 428.558 2.986 50 0 IFAARO O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043747005 557013016 /nfs/dbraw/zinc/01/30/16/557013016.db2.gz OHJDMSVVJURXPW-LPHOPBHVSA-N 1 0 427.998 2.779 50 0 IFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000048235181 557046803 /nfs/dbraw/zinc/04/68/03/557046803.db2.gz SEKBMIBQVGZONJ-ROUUACIJSA-N 1 0 433.574 2.856 50 0 IFAARO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022935353 557052599 /nfs/dbraw/zinc/05/25/99/557052599.db2.gz YVYYUVGJVWQOKW-UHFFFAOYSA-N 1 0 430.556 2.788 50 0 IFAARO O=C1C(=O)N(CN2CC[NH+](Cc3cccc4ccccc43)CC2)C(=O)N1Cc1cccs1 ZINC000022945113 557054235 /nfs/dbraw/zinc/05/42/35/557054235.db2.gz BQTNNGQYAFNRED-UHFFFAOYSA-N 1 0 448.548 2.967 50 0 IFAARO COc1cccc(C[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)n2nnnc2C)c1 ZINC000048276823 557056682 /nfs/dbraw/zinc/05/66/82/557056682.db2.gz RRTGCLFYAYFQOV-OAQYLSRUSA-N 1 0 440.573 2.570 50 0 IFAARO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048299137 557061244 /nfs/dbraw/zinc/06/12/44/557061244.db2.gz ACZBQTRNHLXXJJ-HXUWFJFHSA-N 1 0 428.537 2.700 50 0 IFAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1 ZINC000023129017 557065932 /nfs/dbraw/zinc/06/59/32/557065932.db2.gz LRFGBPJPFZXKMJ-JOCHJYFZSA-N 1 0 445.567 2.965 50 0 IFAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000023129601 557066220 /nfs/dbraw/zinc/06/62/20/557066220.db2.gz GVLBRPPCFHQYPZ-UHFFFAOYSA-N 1 0 433.556 2.691 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2)[C@H]1CCOC1 ZINC000023129083 557066445 /nfs/dbraw/zinc/06/64/45/557066445.db2.gz NHHBVLYHMUBVMY-QFIPXVFZSA-N 1 0 431.540 2.656 50 0 IFAARO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000048326170 557066606 /nfs/dbraw/zinc/06/66/06/557066606.db2.gz AHYXLHOPRKNWDN-JOCHJYFZSA-N 1 0 427.570 2.535 50 0 IFAARO O=C(CCNC(=O)NC1CCCCC1)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000048356408 557073326 /nfs/dbraw/zinc/07/33/26/557073326.db2.gz YMZKJIJFZWVPBE-UHFFFAOYSA-N 1 0 443.636 2.723 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000048355044 557073702 /nfs/dbraw/zinc/07/37/02/557073702.db2.gz JJOVRPCGZYTDIM-UHFFFAOYSA-N 1 0 442.585 2.697 50 0 IFAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C3CSCCSC3)CC2)CC1 ZINC000023338917 557085136 /nfs/dbraw/zinc/08/51/36/557085136.db2.gz APAKCHDSPVMKRA-UHFFFAOYSA-N 1 0 434.675 2.723 50 0 IFAARO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000033318392 557099681 /nfs/dbraw/zinc/09/96/81/557099681.db2.gz MPNKTIHYZUYZDR-UHFFFAOYSA-N 1 0 445.589 2.685 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023627200 557101565 /nfs/dbraw/zinc/10/15/65/557101565.db2.gz LUMLKGKXZRLLBP-JOCHJYFZSA-N 1 0 427.570 2.758 50 0 IFAARO O=C(CCC1CCN(C(=O)c2csnn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023232074 557119244 /nfs/dbraw/zinc/11/92/44/557119244.db2.gz HHQCRUZCPDPQCK-LJQANCHMSA-N 1 0 427.574 2.561 50 0 IFAARO CC(C)Cn1c(N)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000023845984 557120337 /nfs/dbraw/zinc/12/03/37/557120337.db2.gz QHFIDKLWUVOXCX-QHCPKHFHSA-N 1 0 447.583 2.697 50 0 IFAARO CCCCCn1c(=O)[nH]c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2c1=O ZINC000004791269 557124863 /nfs/dbraw/zinc/12/48/63/557124863.db2.gz UNYWKDXJKDGFIN-UHFFFAOYSA-N 1 0 426.561 2.971 50 0 IFAARO COc1ccc2cc(C[N@H+](C)CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)ccc2c1 ZINC000024832080 557170875 /nfs/dbraw/zinc/17/08/75/557170875.db2.gz QGIOOUYKFGQPPF-UHFFFAOYSA-N 1 0 438.528 2.956 50 0 IFAARO CC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(C)C ZINC000024865360 557175292 /nfs/dbraw/zinc/17/52/92/557175292.db2.gz ZOPFWAFOORXFTO-NRFANRHFSA-N 1 0 449.592 2.950 50 0 IFAARO CC(C)[NH+](CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(C)C ZINC000024865353 557175315 /nfs/dbraw/zinc/17/53/15/557175315.db2.gz ZOPFWAFOORXFTO-OAQYLSRUSA-N 1 0 449.592 2.950 50 0 IFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000025072176 557194195 /nfs/dbraw/zinc/19/41/95/557194195.db2.gz IUCZCLXUNSWHFA-JOCHJYFZSA-N 1 0 445.560 2.891 50 0 IFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000025252238 557201070 /nfs/dbraw/zinc/20/10/70/557201070.db2.gz FGBQNOJFUILOMV-PZJWPPBQSA-N 1 0 445.560 2.617 50 0 IFAARO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331986 557204995 /nfs/dbraw/zinc/20/49/95/557204995.db2.gz CNSGACNUNGLQJM-CQSZACIVSA-N 1 0 426.468 2.783 50 0 IFAARO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000013987355 557242152 /nfs/dbraw/zinc/24/21/52/557242152.db2.gz MHOAQGGSCVBCDP-RUZDIDTESA-N 1 0 434.584 2.944 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 ZINC000100191381 557246941 /nfs/dbraw/zinc/24/69/41/557246941.db2.gz ZIQDYONDGXTCIQ-OAQYLSRUSA-N 1 0 439.487 2.751 50 0 IFAARO O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000101331556 557274096 /nfs/dbraw/zinc/27/40/96/557274096.db2.gz NAUYEBGIYLJDLH-DHIUTWEWSA-N 1 0 431.536 2.825 50 0 IFAARO COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)c(C)c1C ZINC000011697887 557395115 /nfs/dbraw/zinc/39/51/15/557395115.db2.gz ZUYASNWKWPCHEY-UHFFFAOYSA-N 1 0 428.518 2.631 50 0 IFAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccccc1OC ZINC000103408199 557435888 /nfs/dbraw/zinc/43/58/88/557435888.db2.gz XCMQIPMECOAHKR-FQEVSTJZSA-N 1 0 444.557 2.511 50 0 IFAARO Cc1ccc(C[NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1 ZINC000014359640 557436362 /nfs/dbraw/zinc/43/63/62/557436362.db2.gz PCJUGZSYVHFZBM-UHFFFAOYSA-N 1 0 428.558 2.974 50 0 IFAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cccs1 ZINC000103395158 557436468 /nfs/dbraw/zinc/43/64/68/557436468.db2.gz OMSIGBGKVGXCAV-SFHVURJKSA-N 1 0 434.587 2.954 50 0 IFAARO O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000024529119 557440901 /nfs/dbraw/zinc/44/09/01/557440901.db2.gz IOBGEBCCTNURQK-UHFFFAOYSA-N 1 0 442.519 2.850 50 0 IFAARO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCCN3[C@]13c1ccccc1N(C)C3=O)OCO2 ZINC000103733279 557440927 /nfs/dbraw/zinc/44/09/27/557440927.db2.gz AWAFIPLVXXYVMS-HYGPGOAJSA-N 1 0 447.491 2.913 50 0 IFAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575316821 557462815 /nfs/dbraw/zinc/46/28/15/557462815.db2.gz HGRUCHIQNCPFPQ-FQEVSTJZSA-N 1 0 439.560 2.662 50 0 IFAARO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318354 557469763 /nfs/dbraw/zinc/46/97/63/557469763.db2.gz IRJDNGXKISATNW-JOCHJYFZSA-N 1 0 426.561 2.726 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000107151762 557535159 /nfs/dbraw/zinc/53/51/59/557535159.db2.gz WGXOMGVFFROYDG-OXJNMPFZSA-N 1 0 433.549 2.716 50 0 IFAARO Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@H](CNC(=O)OC(C)(C)C)C[C@H]3C)CC2)c1 ZINC000107534123 557536507 /nfs/dbraw/zinc/53/65/07/557536507.db2.gz CNXCVJQZDWAQGF-UXHICEINSA-N 1 0 430.593 2.879 50 0 IFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NC1CCCCCCC1 ZINC000044916652 557540593 /nfs/dbraw/zinc/54/05/93/557540593.db2.gz FSQIOGUEEVUEIE-UHFFFAOYSA-N 1 0 437.588 2.795 50 0 IFAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1 ZINC000045944633 557553130 /nfs/dbraw/zinc/55/31/30/557553130.db2.gz OXSOTONIBIVNFC-FQEVSTJZSA-N 1 0 443.613 2.865 50 0 IFAARO Cc1ccc(CN2C[C@H](C(=O)NCCC[N@H+]3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 ZINC000040081460 557692929 /nfs/dbraw/zinc/69/29/29/557692929.db2.gz QIUQNOZTESHRCK-JWQCQUIFSA-N 1 0 448.611 2.839 50 0 IFAARO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229710648 557833047 /nfs/dbraw/zinc/83/30/47/557833047.db2.gz HWSQTBDIFYDHFB-GIVPXCGWSA-N 1 0 426.586 2.829 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000241719850 557846819 /nfs/dbraw/zinc/84/68/19/557846819.db2.gz QQCNNOCYOHXPDD-LJQANCHMSA-N 1 0 445.585 2.635 50 0 IFAARO C[NH+](C)CCCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O ZINC000002623392 562928600 /nfs/dbraw/zinc/92/86/00/562928600.db2.gz LMFDNBHVMNWYGO-UHFFFAOYSA-N 1 0 436.537 2.737 50 0 IFAARO COCCn1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O ZINC000004057426 562941383 /nfs/dbraw/zinc/94/13/83/562941383.db2.gz MNGYIVCCPRNWTG-UHFFFAOYSA-N 1 0 438.572 2.991 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000009410332 562970344 /nfs/dbraw/zinc/97/03/44/562970344.db2.gz QKRCWRKDPXSVFS-UHFFFAOYSA-N 1 0 437.606 2.521 50 0 IFAARO COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000009493825 562972192 /nfs/dbraw/zinc/97/21/92/562972192.db2.gz JDAHAPKVRGGYQN-QFIPXVFZSA-N 1 0 445.585 2.577 50 0 IFAARO COc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000009493826 562972248 /nfs/dbraw/zinc/97/22/48/562972248.db2.gz JDAHAPKVRGGYQN-JOCHJYFZSA-N 1 0 445.585 2.577 50 0 IFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000013010608 562983998 /nfs/dbraw/zinc/98/39/98/562983998.db2.gz NGJZLSZSMMOAKM-NRFANRHFSA-N 1 0 425.529 2.777 50 0 IFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000013009901 562984050 /nfs/dbraw/zinc/98/40/50/562984050.db2.gz ZRSYBZDIGRAQGX-QFIPXVFZSA-N 1 0 425.529 2.777 50 0 IFAARO O=C(CCN1CCCCC1=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055283888 563142607 /nfs/dbraw/zinc/14/26/07/563142607.db2.gz ZJMOEOFSDPZQNV-NRFANRHFSA-N 1 0 432.996 2.856 50 0 IFAARO Cn1nnnc1SCCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000261492522 568734695 /nfs/dbraw/zinc/73/46/95/568734695.db2.gz FOPLBWJHSADTFJ-UHFFFAOYSA-N 1 0 438.536 2.928 50 0 IFAARO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000299762095 568755867 /nfs/dbraw/zinc/75/58/67/568755867.db2.gz RHVQUPIUFCVEJG-RXVVDRJESA-N 1 0 428.554 2.661 50 0 IFAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299762059 568755955 /nfs/dbraw/zinc/75/59/55/568755955.db2.gz RALZBRCSGHYPSD-NVQXNPDNSA-N 1 0 448.567 2.611 50 0 IFAARO COc1cc2cc(C[NH2+]CCn3cncn3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299783549 568757180 /nfs/dbraw/zinc/75/71/80/568757180.db2.gz ZHGPWIWKDHKOPB-UHFFFAOYSA-N 1 0 433.512 2.757 50 0 IFAARO Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC000299780214 568757266 /nfs/dbraw/zinc/75/72/66/568757266.db2.gz RXQGWWZTFGOFAW-OAQYLSRUSA-N 1 0 426.586 2.679 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000084692287 568800098 /nfs/dbraw/zinc/80/00/98/568800098.db2.gz PHGAZEUQOWNKIC-IBGZPJMESA-N 1 0 447.645 2.957 50 0 IFAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000015671261 568802313 /nfs/dbraw/zinc/80/23/13/568802313.db2.gz TXSOBTNKBJQTIC-UHFFFAOYSA-N 1 0 445.589 2.522 50 0 IFAARO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000015679032 568805436 /nfs/dbraw/zinc/80/54/36/568805436.db2.gz LQMJMOQQFLPNNH-IBGZPJMESA-N 1 0 427.549 2.954 50 0 IFAARO O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCCC[NH+]1CCCC1 ZINC000015722288 568812123 /nfs/dbraw/zinc/81/21/23/568812123.db2.gz AVDAOWONRBKDAJ-UHFFFAOYSA-N 1 0 446.617 2.808 50 0 IFAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000015773669 568823159 /nfs/dbraw/zinc/82/31/59/568823159.db2.gz ZSGFJJXTNXRKRE-HSZRJFAPSA-N 1 0 426.605 2.811 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)C1 ZINC000015786807 568836335 /nfs/dbraw/zinc/83/63/35/568836335.db2.gz YOJNXUCIKZRFIE-AWEZNQCLSA-N 1 0 440.953 2.549 50 0 IFAARO Cn1c(C(=O)NCC[NH+]2CCCCC2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015787016 568836493 /nfs/dbraw/zinc/83/64/93/568836493.db2.gz OHTTWBBZLYOJAX-UHFFFAOYSA-N 1 0 432.590 2.569 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000583652911 568837737 /nfs/dbraw/zinc/83/77/37/568837737.db2.gz XQNNTLJCYWXRQB-SXWKCWPCSA-N 1 0 443.588 2.788 50 0 IFAARO CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015864248 568849683 /nfs/dbraw/zinc/84/96/83/568849683.db2.gz DRGZGMWCIBFEEJ-UHFFFAOYSA-N 1 0 447.576 2.647 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1C ZINC000015864260 568849736 /nfs/dbraw/zinc/84/97/36/568849736.db2.gz DRCYORHPAOARDP-OAQYLSRUSA-N 1 0 443.613 2.838 50 0 IFAARO CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1 ZINC000015864200 568849744 /nfs/dbraw/zinc/84/97/44/568849744.db2.gz CIOFRJMMYRKJIN-UHFFFAOYSA-N 1 0 435.977 2.525 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]21 ZINC000015957250 568859824 /nfs/dbraw/zinc/85/98/24/568859824.db2.gz FCLQEBBGCJACSS-GHCZAOPSSA-N 1 0 435.549 2.982 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21 ZINC000015957482 568860015 /nfs/dbraw/zinc/86/00/15/568860015.db2.gz ZWDYXNOEIUTSHH-VKDGWMQASA-N 1 0 435.549 2.982 50 0 IFAARO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCCCC1 ZINC000012943415 568870334 /nfs/dbraw/zinc/87/03/34/568870334.db2.gz RPNLALWFHONQKO-UHFFFAOYSA-N 1 0 425.570 2.607 50 0 IFAARO CN(C)[C@H](CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1csc2ccccc21 ZINC000575622145 568883241 /nfs/dbraw/zinc/88/32/41/568883241.db2.gz WNRQEPPSJOXKMB-QGZVFWFLSA-N 1 0 431.539 2.927 50 0 IFAARO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000226930589 568885427 /nfs/dbraw/zinc/88/54/27/568885427.db2.gz ZPUIQBHQSAJUFT-FBAVSBLXSA-N 1 0 425.847 2.910 50 0 IFAARO CC(C)[NH+](CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(C)C ZINC000013004581 568898999 /nfs/dbraw/zinc/89/89/99/568898999.db2.gz VHEHUGXFCIEKLE-UHFFFAOYSA-N 1 0 431.549 2.601 50 0 IFAARO C[NH+](C)C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 ZINC000013005314 568899174 /nfs/dbraw/zinc/89/91/74/568899174.db2.gz XVUUZEGFCODWBQ-IBGZPJMESA-N 1 0 443.345 2.968 50 0 IFAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000248006053 568918851 /nfs/dbraw/zinc/91/88/51/568918851.db2.gz CCJUYJPNWLJZOB-MGPQRACWSA-N 1 0 435.499 2.817 50 0 IFAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000248383291 568919244 /nfs/dbraw/zinc/91/92/44/568919244.db2.gz ZSEGZJLUJNPPPJ-SMTRIPRVSA-N 1 0 429.476 2.629 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)c4cccnc4)c3)cn2)CC1 ZINC000089382475 568921356 /nfs/dbraw/zinc/92/13/56/568921356.db2.gz CEFNYGYEVITYQH-UHFFFAOYSA-N 1 0 444.539 2.801 50 0 IFAARO COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000064799770 568961234 /nfs/dbraw/zinc/96/12/34/568961234.db2.gz VTCDKWBYMNUIJG-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064814533 568964069 /nfs/dbraw/zinc/96/40/69/568964069.db2.gz YXXKPLBNWGWBHT-UHFFFAOYSA-N 1 0 433.553 2.734 50 0 IFAARO Cn1c2c(C(=O)Nc3ccccc3F)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836089 568969217 /nfs/dbraw/zinc/96/92/17/568969217.db2.gz WZVIYJDHCCARAO-UHFFFAOYSA-N 1 0 431.471 2.983 50 0 IFAARO C[NH+](C)CCNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000006776756 568983573 /nfs/dbraw/zinc/98/35/73/568983573.db2.gz DWQDGWYTIMQKLO-KRWDZBQOSA-N 1 0 427.467 2.885 50 0 IFAARO Cc1ccc(C(=O)N2CCN([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255014 568984802 /nfs/dbraw/zinc/98/48/02/568984802.db2.gz GTQOFSWUCFPMLC-XMMPIXPASA-N 1 0 440.632 2.914 50 0 IFAARO Cc1ccccc1C(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255056 568984946 /nfs/dbraw/zinc/98/49/46/568984946.db2.gz UMHNSOVDYJUTIT-DEOSSOPVSA-N 1 0 440.632 2.914 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(F)cc2)cc1 ZINC000065074873 569099341 /nfs/dbraw/zinc/09/93/41/569099341.db2.gz VGZCJCMSJONCLD-UHFFFAOYSA-N 1 0 444.576 2.703 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nc(Cn3c(=O)oc4ccc(Cl)cc43)no2)C1 ZINC000065111851 569107813 /nfs/dbraw/zinc/10/78/13/569107813.db2.gz OGCMEQSUKYUWJE-ZDUSSCGKSA-N 1 0 433.896 2.531 50 0 IFAARO Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000065194101 569114744 /nfs/dbraw/zinc/11/47/44/569114744.db2.gz QCSDMDBEHPDVGE-UHFFFAOYSA-N 1 0 443.573 2.943 50 0 IFAARO CCOc1cc(=O)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)nn1-c1ccc(F)cc1 ZINC000065198321 569114977 /nfs/dbraw/zinc/11/49/77/569114977.db2.gz UMSCTGBYTHTFBS-UHFFFAOYSA-N 1 0 428.508 2.861 50 0 IFAARO CC1CCN(c2cc(-n3cnc(C(=O)N4CC[NH+](C5CCCCC5)CC4)c3)ncn2)CC1 ZINC000065239816 569120677 /nfs/dbraw/zinc/12/06/77/569120677.db2.gz UORHGOBERPAQJQ-UHFFFAOYSA-N 1 0 437.592 2.989 50 0 IFAARO O=C1CCCN1c1ccc(S(=O)(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000036614662 569122319 /nfs/dbraw/zinc/12/23/19/569122319.db2.gz LANLQWSBRISNIA-UHFFFAOYSA-N 1 0 443.613 2.944 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000065255830 569123028 /nfs/dbraw/zinc/12/30/28/569123028.db2.gz QRRTWMZFJCURCS-NRFANRHFSA-N 1 0 437.544 2.583 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255998 569123128 /nfs/dbraw/zinc/12/31/28/569123128.db2.gz SLLAANNXPLCEFR-OAQYLSRUSA-N 1 0 437.544 2.583 50 0 IFAARO CCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000036621511 569126193 /nfs/dbraw/zinc/12/61/93/569126193.db2.gz GHUXPVRAQFKDNZ-UHFFFAOYSA-N 1 0 447.486 2.791 50 0 IFAARO O=S(=O)(c1cccnc1)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265718 569127358 /nfs/dbraw/zinc/12/73/58/569127358.db2.gz PRJSZVMJIKYWQO-QHCPKHFHSA-N 1 0 448.552 2.945 50 0 IFAARO Cc1scc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc(N3CCOCC3)c12 ZINC000065283296 569130148 /nfs/dbraw/zinc/13/01/48/569130148.db2.gz ZABCDEBYXRGFPJ-UHFFFAOYSA-N 1 0 429.590 2.927 50 0 IFAARO COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000036684925 569132847 /nfs/dbraw/zinc/13/28/47/569132847.db2.gz MSDFYVJPJVDZKI-JOCHJYFZSA-N 1 0 445.585 2.707 50 0 IFAARO CC[NH+]1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2cccc(Cl)c2)CC1 ZINC000065306650 569133402 /nfs/dbraw/zinc/13/34/02/569133402.db2.gz DOLZWXZAQDNSSX-UHFFFAOYSA-N 1 0 426.904 2.968 50 0 IFAARO COCCOC(=O)c1c(C)[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)c1C ZINC000170611647 569145132 /nfs/dbraw/zinc/14/51/32/569145132.db2.gz BAPVUGITALKXCW-UHFFFAOYSA-N 1 0 431.533 2.647 50 0 IFAARO COCc1nnc(-c2cccc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)c2)o1 ZINC000170613589 569146237 /nfs/dbraw/zinc/14/62/37/569146237.db2.gz YGUQSDMSLMJTEC-NRFANRHFSA-N 1 0 436.512 2.904 50 0 IFAARO O=C(CN1CCN(c2nccs2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000089813243 569165052 /nfs/dbraw/zinc/16/50/52/569165052.db2.gz JHZRFNMZHJJKDF-LJQANCHMSA-N 1 0 434.009 2.872 50 0 IFAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000089895896 569166816 /nfs/dbraw/zinc/16/68/16/569166816.db2.gz FPRXXWSABVUMEK-WIYYLYMNSA-N 1 0 443.613 2.640 50 0 IFAARO Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)[nH+]1 ZINC000016994418 569169756 /nfs/dbraw/zinc/16/97/56/569169756.db2.gz NNHBJHYHDUUTKT-UHFFFAOYSA-N 1 0 429.590 2.821 50 0 IFAARO Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000581820226 569211740 /nfs/dbraw/zinc/21/17/40/569211740.db2.gz ZQPBREZKXXQDOM-JOCHJYFZSA-N 1 0 435.572 2.761 50 0 IFAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)c(OC)c1 ZINC000581820230 569211861 /nfs/dbraw/zinc/21/18/61/569211861.db2.gz ZVPDWSNSLYURGJ-FQEVSTJZSA-N 1 0 445.604 2.884 50 0 IFAARO C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000078879173 569319963 /nfs/dbraw/zinc/31/99/63/569319963.db2.gz YORXHAGGXQUURF-UYAOXDASSA-N 1 0 431.552 2.828 50 0 IFAARO COc1ccc(CN2CCCN(C(=O)C[NH2+]C(C)(C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000095423242 569365663 /nfs/dbraw/zinc/36/56/63/569365663.db2.gz JLNKKWHKPFMREN-UHFFFAOYSA-N 1 0 439.556 2.983 50 0 IFAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000095426523 569366044 /nfs/dbraw/zinc/36/60/44/569366044.db2.gz BMIQLVCFYJIUDX-QZTJIDSGSA-N 1 0 428.360 2.607 50 0 IFAARO COc1cccc(NC(=O)CN(C2CC2)S(=O)(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000095431832 569366326 /nfs/dbraw/zinc/36/63/26/569366326.db2.gz WDPYJDUQMFLYPJ-JOCHJYFZSA-N 1 0 443.569 2.702 50 0 IFAARO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095459048 569369292 /nfs/dbraw/zinc/36/92/92/569369292.db2.gz NSTFAGXAIRZPRC-IBGZPJMESA-N 1 0 427.524 2.999 50 0 IFAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000095975666 569377578 /nfs/dbraw/zinc/37/75/78/569377578.db2.gz ZSYFWQGRZYZJNX-UHFFFAOYSA-N 1 0 440.386 2.792 50 0 IFAARO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000095983697 569378087 /nfs/dbraw/zinc/37/80/87/569378087.db2.gz RFXLLQKMKAYUFO-UHFFFAOYSA-N 1 0 433.540 2.687 50 0 IFAARO COc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095995541 569378641 /nfs/dbraw/zinc/37/86/41/569378641.db2.gz KCPRRVLWHNIZOH-IRXDYDNUSA-N 1 0 441.594 2.599 50 0 IFAARO O=c1c2ccccc2c(CNS(=O)(=O)c2cccc(Cl)c2)nn1CC[NH+]1CCCC1 ZINC000096024237 569380506 /nfs/dbraw/zinc/38/05/06/569380506.db2.gz MQMJCJSSVYNRIJ-UHFFFAOYSA-N 1 0 446.960 2.624 50 0 IFAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1cc2ccccc2oc1=O ZINC000096024225 569380561 /nfs/dbraw/zinc/38/05/61/569380561.db2.gz DNJXRPWNQRBONL-UHFFFAOYSA-N 1 0 444.491 2.529 50 0 IFAARO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121065 569385052 /nfs/dbraw/zinc/38/50/52/569385052.db2.gz HZZVYHHJJVEESZ-UHFFFAOYSA-N 1 0 442.372 2.895 50 0 IFAARO COc1ccc(N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)C2)nn1 ZINC000096231878 569387725 /nfs/dbraw/zinc/38/77/25/569387725.db2.gz OZVFBFFWIBOEEH-GOSISDBHSA-N 1 0 427.524 2.622 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccn2)C1=O ZINC000096372494 569397991 /nfs/dbraw/zinc/39/79/91/569397991.db2.gz YLCIZOZOGYYEIF-GOSISDBHSA-N 1 0 446.555 2.692 50 0 IFAARO CCC(CC)[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398483 569399692 /nfs/dbraw/zinc/39/96/92/569399692.db2.gz JOEMURGGOHGXMZ-QGZVFWFLSA-N 1 0 433.618 2.658 50 0 IFAARO COc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000299754373 569409026 /nfs/dbraw/zinc/40/90/26/569409026.db2.gz DWVWVAORASEINR-QWFCFKBJSA-N 1 0 429.561 2.780 50 0 IFAARO CCc1ccc([C@H]2NC(=O)N=C(CN3CCC([NH+]4CCCCC4)CC3)C2C(=O)OC)cc1 ZINC000057415166 569434087 /nfs/dbraw/zinc/43/40/87/569434087.db2.gz KVYOISZHHSVUMS-HSZRJFAPSA-N 1 0 440.588 2.980 50 0 IFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000230129921 569438877 /nfs/dbraw/zinc/43/88/77/569438877.db2.gz AXDSFLYXYQDUEG-VWNXMTODSA-N 1 0 439.531 2.556 50 0 IFAARO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000057530609 569439325 /nfs/dbraw/zinc/43/93/25/569439325.db2.gz YMIARIYMSZAXIZ-NMNUPHIUSA-N 1 0 431.540 2.611 50 0 IFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)nc3nc(C(F)(F)F)nn32)CC1 ZINC000058913312 569458072 /nfs/dbraw/zinc/45/80/72/569458072.db2.gz BKAURCUBCWPKMM-UHFFFAOYSA-N 1 0 441.502 2.516 50 0 IFAARO Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000032064969 569459056 /nfs/dbraw/zinc/45/90/56/569459056.db2.gz OTEBQQULTMUHSY-VWLOTQADSA-N 1 0 448.611 2.781 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008345452 569462618 /nfs/dbraw/zinc/46/26/18/569462618.db2.gz FGPXMRDIQXNIPQ-OAQYLSRUSA-N 1 0 429.586 2.841 50 0 IFAARO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204800 569464476 /nfs/dbraw/zinc/46/44/76/569464476.db2.gz LFRBBDOFJDMYLL-NRFANRHFSA-N 1 0 430.524 2.557 50 0 IFAARO Cc1c(C)n([C@H](C)c2ccccc2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000008704213 569470303 /nfs/dbraw/zinc/47/03/03/569470303.db2.gz CNJSCSHZOCDKBN-LJQANCHMSA-N 1 0 448.571 2.861 50 0 IFAARO C[C@@H]1C[NH+](C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@@H](C)O1 ZINC000040135641 569490731 /nfs/dbraw/zinc/49/07/31/569490731.db2.gz WHQIQMJLRWKJNF-NXYOSRLFSA-N 1 0 431.621 2.809 50 0 IFAARO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000040156200 569494091 /nfs/dbraw/zinc/49/40/91/569494091.db2.gz FAHOKVJVVQTMPX-HXUWFJFHSA-N 1 0 429.586 2.537 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1c2cccc1C ZINC000009045841 569498158 /nfs/dbraw/zinc/49/81/58/569498158.db2.gz BQDLWEHAVJYOKK-WMPKCAQASA-N 1 0 429.904 2.802 50 0 IFAARO CC[NH+](CC)CCN1CCN(C(=O)c2csc(NC(=O)c3ccccc3C)n2)CC1 ZINC000040355408 569499757 /nfs/dbraw/zinc/49/97/57/569499757.db2.gz RAWJMYCWYCWMKW-UHFFFAOYSA-N 1 0 429.590 2.803 50 0 IFAARO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245281390 569502129 /nfs/dbraw/zinc/50/21/29/569502129.db2.gz YEMPDFJQTXLDKH-SIKLNZKXSA-N 1 0 444.597 2.972 50 0 IFAARO CCCCCCn1c(N2CC[NH+](Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714083 569562730 /nfs/dbraw/zinc/56/27/30/569562730.db2.gz UYSBPLHKGKGUNK-UHFFFAOYSA-N 1 0 438.576 2.634 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000009740095 569565092 /nfs/dbraw/zinc/56/50/92/569565092.db2.gz YYSICAAPVSYVNX-IBGZPJMESA-N 1 0 433.599 2.727 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000009740086 569565096 /nfs/dbraw/zinc/56/50/96/569565096.db2.gz YYSICAAPVSYVNX-LJQANCHMSA-N 1 0 433.599 2.727 50 0 IFAARO CCOc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009747297 569565816 /nfs/dbraw/zinc/56/58/16/569565816.db2.gz AKODOMFPBJAKSN-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009778826 569567327 /nfs/dbraw/zinc/56/73/27/569567327.db2.gz GUCCOZIYITYYCT-QFIPXVFZSA-N 1 0 441.597 2.794 50 0 IFAARO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000009860837 569571905 /nfs/dbraw/zinc/57/19/05/569571905.db2.gz UTAXTYVHVLJOPR-UHFFFAOYSA-N 1 0 445.523 2.566 50 0 IFAARO O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCCC[NH+]1CCCCCC1 ZINC000009860861 569571961 /nfs/dbraw/zinc/57/19/61/569571961.db2.gz UPJAIPHRCVXUQP-UHFFFAOYSA-N 1 0 433.556 2.765 50 0 IFAARO Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000071853564 569582527 /nfs/dbraw/zinc/58/25/27/569582527.db2.gz SIESHGJJUREBPE-FQEVSTJZSA-N 1 0 439.482 2.655 50 0 IFAARO O=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200558 569586452 /nfs/dbraw/zinc/58/64/52/569586452.db2.gz LCAWBYQGPDCJJS-UHFFFAOYSA-N 1 0 447.495 2.545 50 0 IFAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(Cl)c(C)cc3OC)CC2)n1 ZINC000023994010 569587269 /nfs/dbraw/zinc/58/72/69/569587269.db2.gz PTEOMXGSXUKUMQ-UHFFFAOYSA-N 1 0 439.969 2.698 50 0 IFAARO COc1ccc(N2CCC[C@H](C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)C2)nn1 ZINC000096231877 193938921 /nfs/dbraw/zinc/93/89/21/193938921.db2.gz OZVFBFFWIBOEEH-SFHVURJKSA-N 1 0 427.524 2.622 50 0 IFAARO Cc1cc(C)nc(N2CC[NH+](CCCCN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)CC2)n1 ZINC000001814207 132247055 /nfs/dbraw/zinc/24/70/55/132247055.db2.gz HRJSJJLFINLRSD-DVECYGJZSA-N 1 0 427.593 2.807 50 0 IFAARO CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000008342109 132281122 /nfs/dbraw/zinc/28/11/22/132281122.db2.gz WVHSQKODCRQBBR-UHFFFAOYSA-N 1 0 427.570 2.925 50 0 IFAARO Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCC[NH+]1CCCCC1 ZINC000009686159 132325813 /nfs/dbraw/zinc/32/58/13/132325813.db2.gz JBPFSFVPAHCRKZ-UHFFFAOYSA-N 1 0 439.608 2.804 50 0 IFAARO O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698037 132339240 /nfs/dbraw/zinc/33/92/40/132339240.db2.gz SKPPODISFVNGLH-UHFFFAOYSA-N 1 0 430.921 2.780 50 0 IFAARO O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698038 132339246 /nfs/dbraw/zinc/33/92/46/132339246.db2.gz ZQXZXKPQUZSREB-UHFFFAOYSA-N 1 0 430.921 2.780 50 0 IFAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)CC1 ZINC000012872388 519365605 /nfs/dbraw/zinc/36/56/05/519365605.db2.gz XPTXDFFAELYJMH-PMACEKPBSA-N 1 0 434.556 2.517 50 0 IFAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020783481 519438567 /nfs/dbraw/zinc/43/85/67/519438567.db2.gz RDOKXPBQCDIMRU-OAQYLSRUSA-N 1 0 433.622 2.781 50 0 IFAARO CC(C)CC[C@]1(C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012157989 519696080 /nfs/dbraw/zinc/69/60/80/519696080.db2.gz BNXIJKJZHNSJKR-XDSPWSPCSA-N 1 0 444.620 2.726 50 0 IFAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000021662902 519707988 /nfs/dbraw/zinc/70/79/88/519707988.db2.gz SIFQLEIFRDDMDB-UHFFFAOYSA-N 1 0 431.540 2.837 50 0 IFAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766933 519820080 /nfs/dbraw/zinc/82/00/80/519820080.db2.gz UDTWKOILFBECMK-FQEVSTJZSA-N 1 0 429.952 2.880 50 0 IFAARO CCC[NH+]1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)CC1 ZINC000014999829 519855781 /nfs/dbraw/zinc/85/57/81/519855781.db2.gz UVWRCQJQWDFUAG-AREMUKBSSA-N 1 0 448.567 2.531 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(OC)cc3)o2)CC1 ZINC000020515017 519857891 /nfs/dbraw/zinc/85/78/91/519857891.db2.gz GBOSHHSQNHEWCB-HKBQPEDESA-N 1 0 447.601 2.744 50 0 IFAARO CC(C)c1nnc2ccc(N3CCC(C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)CC3)nn21 ZINC000020725081 519892885 /nfs/dbraw/zinc/89/28/85/519892885.db2.gz FPIGHZUMMDWFSA-UHFFFAOYSA-N 1 0 427.597 2.890 50 0 IFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557904 520511924 /nfs/dbraw/zinc/51/19/24/520511924.db2.gz HVOPZDLMLSYOCR-JOCHJYFZSA-N 1 0 444.551 2.947 50 0 IFAARO CCOC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560252 520515027 /nfs/dbraw/zinc/51/50/27/520515027.db2.gz OQDJQSHNEBXZGA-DEOSSOPVSA-N 1 0 448.567 2.984 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035640987 520515430 /nfs/dbraw/zinc/51/54/30/520515430.db2.gz QIYWXRGEXMRSRV-FQEVSTJZSA-N 1 0 434.968 2.881 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020565959 520562858 /nfs/dbraw/zinc/56/28/58/520562858.db2.gz QKWYHISIVFQWLP-ZFCANOHDSA-N 1 0 434.334 2.626 50 0 IFAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCC(=O)NC[C@H]1CCCO1 ZINC000009669550 520639076 /nfs/dbraw/zinc/63/90/76/520639076.db2.gz PIIWHCBSXSQKBT-QGZVFWFLSA-N 1 0 432.590 2.516 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[NH+](CC)CC)C3)ccc21 ZINC000021937947 520681312 /nfs/dbraw/zinc/68/13/12/520681312.db2.gz FXZQKDZJJVMQLR-IBGZPJMESA-N 1 0 434.606 2.520 50 0 IFAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000021959951 520749278 /nfs/dbraw/zinc/74/92/78/520749278.db2.gz CQGZPJRPQIGNEL-HXUWFJFHSA-N 1 0 437.540 2.969 50 0 IFAARO CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000021793864 520865407 /nfs/dbraw/zinc/86/54/07/520865407.db2.gz BMUNBWQRIALUJS-UHFFFAOYSA-N 1 0 439.560 2.763 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000012761844 520976836 /nfs/dbraw/zinc/97/68/36/520976836.db2.gz MQXZMAMUULHEDG-QFIPXVFZSA-N 1 0 427.637 2.953 50 0 IFAARO CC1CC[NH+](CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000012772698 520995572 /nfs/dbraw/zinc/99/55/72/520995572.db2.gz YBECJPIMCZXROD-UHFFFAOYSA-N 1 0 426.483 2.520 50 0 IFAARO CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)NCC[N@@H+]2CCc4ccccc4C2)C3)CC1 ZINC000065289568 521051169 /nfs/dbraw/zinc/05/11/69/521051169.db2.gz OQHKJXDGNALLOO-NRFANRHFSA-N 1 0 433.600 2.992 50 0 IFAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000015773671 521166086 /nfs/dbraw/zinc/16/60/86/521166086.db2.gz ZSGFJJXTNXRKRE-QHCPKHFHSA-N 1 0 426.605 2.811 50 0 IFAARO CCOc1ccc2nc(N3CCC[C@H]([N@H+](C)CCN4CCOCC4)CC3)nc(C)c2c1 ZINC000023339308 521303867 /nfs/dbraw/zinc/30/38/67/521303867.db2.gz XSJWXLWCYORPAO-FQEVSTJZSA-N 1 0 427.593 2.960 50 0 IFAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000012909501 521569969 /nfs/dbraw/zinc/56/99/69/521569969.db2.gz NMCGNGZWNLSGNH-UHFFFAOYSA-N 1 0 448.416 2.995 50 0 IFAARO CCOC(=O)c1noc2ncnc(N(Cc3ccccc3OC)C3CC[NH+](C)CC3)c12 ZINC000020992363 521607746 /nfs/dbraw/zinc/60/77/46/521607746.db2.gz IOIYWNLCXATFGI-UHFFFAOYSA-N 1 0 425.489 2.904 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000012299532 521634207 /nfs/dbraw/zinc/63/42/07/521634207.db2.gz QTMPBEBNCWOPFQ-HXUWFJFHSA-N 1 0 425.577 2.876 50 0 IFAARO CCN1CCC[C@H]1C[NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000022789173 521658090 /nfs/dbraw/zinc/65/80/90/521658090.db2.gz JJVPBUWBSQAWCV-FQEVSTJZSA-N 1 0 438.572 2.680 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 ZINC000020508796 521681393 /nfs/dbraw/zinc/68/13/93/521681393.db2.gz QTCJKCWCPKATAE-UHFFFAOYSA-N 1 0 448.567 2.757 50 0 IFAARO CC[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)CC1 ZINC000021532012 521688913 /nfs/dbraw/zinc/68/89/13/521688913.db2.gz MZXRRXXSZVCTJS-UHFFFAOYSA-N 1 0 442.585 2.900 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000035425993 521749550 /nfs/dbraw/zinc/74/95/50/521749550.db2.gz KNARRSBSVKGFMZ-MRXNPFEDSA-N 1 0 446.592 2.651 50 0 IFAARO COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022582357 522120364 /nfs/dbraw/zinc/12/03/64/522120364.db2.gz GNODLOPCAVCJJL-HXUWFJFHSA-N 1 0 427.545 2.739 50 0 IFAARO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O ZINC000012162610 522397717 /nfs/dbraw/zinc/39/77/17/522397717.db2.gz IOYHZNFMDKPNCH-SFHVURJKSA-N 1 0 449.555 2.861 50 0 IFAARO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000021583351 522822773 /nfs/dbraw/zinc/82/27/73/522822773.db2.gz QDEDQNZCXNIZOR-INIZCTEOSA-N 1 0 439.516 2.602 50 0 IFAARO CN(CCO)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 ZINC000012133409 522879904 /nfs/dbraw/zinc/87/99/04/522879904.db2.gz WJVUQPCCFBVKDW-OAQYLSRUSA-N 1 0 431.540 2.751 50 0 IFAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)o1 ZINC000012282168 522962523 /nfs/dbraw/zinc/96/25/23/522962523.db2.gz ACGWJIWVPRZPAM-HKUYNNGSSA-N 1 0 439.560 2.798 50 0 IFAARO CCn1c2ccccc2nc(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)c1=O ZINC000035401265 523282853 /nfs/dbraw/zinc/28/28/53/523282853.db2.gz FTNVLQFUTYCXAV-IBGZPJMESA-N 1 0 439.604 2.871 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014748908 523290768 /nfs/dbraw/zinc/29/07/68/523290768.db2.gz RUOIMHRMNREXFD-UHFFFAOYSA-N 1 0 428.558 2.979 50 0 IFAARO CCn1cc(C[NH+]2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c(C)n1 ZINC000012164187 523369089 /nfs/dbraw/zinc/36/90/89/523369089.db2.gz MYYJZHYLECPQPN-RUZDIDTESA-N 1 0 435.572 2.901 50 0 IFAARO COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1OC ZINC000035421901 523614493 /nfs/dbraw/zinc/61/44/93/523614493.db2.gz RSYJJXCREPJWBA-LJQANCHMSA-N 1 0 439.556 2.772 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cc4ccccc4[nH]2)CC3)cc1 ZINC000012157366 523704723 /nfs/dbraw/zinc/70/47/23/523704723.db2.gz ZFWQQLCMPJEFNI-UHFFFAOYSA-N 1 0 444.539 2.799 50 0 IFAARO CN1CC[NH+](C2(CNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CCCCC2)CC1 ZINC000020676610 523890840 /nfs/dbraw/zinc/89/08/40/523890840.db2.gz ICMSONGRUQVEGD-GOSISDBHSA-N 1 0 432.996 2.759 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(=O)OCC(F)(F)F)CC3)cc2)CC1 ZINC000022192724 523925970 /nfs/dbraw/zinc/92/59/70/523925970.db2.gz TXVIHZTWSLXTTP-UHFFFAOYSA-N 1 0 428.455 2.788 50 0 IFAARO COc1ccc(CN(C)Cc2ccccc2Cl)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020600295 524006937 /nfs/dbraw/zinc/00/69/37/524006937.db2.gz SJBCXGHCQUJWAP-NRFANRHFSA-N 1 0 448.007 2.968 50 0 IFAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+]([C@@H](C)CCn4cccn4)CC3)C2=O)cc1 ZINC000014753035 524019739 /nfs/dbraw/zinc/01/97/39/524019739.db2.gz DBZVONJYWRJTEJ-SFHVURJKSA-N 1 0 425.533 2.599 50 0 IFAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012932759 524087765 /nfs/dbraw/zinc/08/77/65/524087765.db2.gz QBQWLJSBSYVPKU-QGZVFWFLSA-N 1 0 431.558 2.987 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)CC2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000035459740 524087846 /nfs/dbraw/zinc/08/78/46/524087846.db2.gz AZISZIPPRXQTNP-KRWDZBQOSA-N 1 0 427.636 2.777 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000032931218 524087860 /nfs/dbraw/zinc/08/78/60/524087860.db2.gz CMMSCIVWPAJACM-INIZCTEOSA-N 1 0 427.998 2.976 50 0 IFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000020611471 524444875 /nfs/dbraw/zinc/44/48/75/524444875.db2.gz HJECLTDIELNFIK-BINBFKAUSA-N 1 0 433.508 2.662 50 0 IFAARO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000021534392 524792861 /nfs/dbraw/zinc/79/28/61/524792861.db2.gz MWBOIVHOSZKFQW-UHFFFAOYSA-N 1 0 435.977 2.661 50 0 IFAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCCSc3nnnn3C)c2)cc1 ZINC000040744776 525070205 /nfs/dbraw/zinc/07/02/05/525070205.db2.gz JLVDDLODWCJSOL-UHFFFAOYSA-N 1 0 426.546 2.808 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012543376 525077948 /nfs/dbraw/zinc/07/79/48/525077948.db2.gz APGUKXDVZIYCJQ-UHFFFAOYSA-N 1 0 442.585 2.784 50 0 IFAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795651 525354142 /nfs/dbraw/zinc/35/41/42/525354142.db2.gz AJTFUVBLMBKUMQ-NRFANRHFSA-N 1 0 444.963 2.700 50 0 IFAARO Cc1ccccc1[C@@]1(CC(=O)N2CC[NH+](C(C)C)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000020455469 525398900 /nfs/dbraw/zinc/39/89/00/525398900.db2.gz ZDNLPSLIXFWILH-AREMUKBSSA-N 1 0 448.567 2.530 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)CC2)cc1 ZINC000012920812 525521233 /nfs/dbraw/zinc/52/12/33/525521233.db2.gz WLPQWJYMGSDWJO-QFIPXVFZSA-N 1 0 429.586 2.815 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000020610721 525557797 /nfs/dbraw/zinc/55/77/97/525557797.db2.gz CQCPNMABNNJHRU-YWNPBTLJSA-N 1 0 427.570 2.883 50 0 IFAARO Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)no2)cc1C ZINC000036001629 525727674 /nfs/dbraw/zinc/72/76/74/525727674.db2.gz WCLWQSOKJZCJQZ-OAQYLSRUSA-N 1 0 434.540 2.977 50 0 IFAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)c1 ZINC000015003535 526016791 /nfs/dbraw/zinc/01/67/91/526016791.db2.gz ZAIQXDPEGUBARO-UXHICEINSA-N 1 0 428.529 2.614 50 0 IFAARO C[C@H](C(=O)NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459777 526045501 /nfs/dbraw/zinc/04/55/01/526045501.db2.gz BDWASRBCWVNJPC-KRWDZBQOSA-N 1 0 427.636 2.777 50 0 IFAARO O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000020763588 526443388 /nfs/dbraw/zinc/44/33/88/526443388.db2.gz OHJDMSVVJURXPW-QFBILLFUSA-N 1 0 427.998 2.779 50 0 IFAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447914 526513875 /nfs/dbraw/zinc/51/38/75/526513875.db2.gz JOBFKXSJSIURPS-IBGZPJMESA-N 1 0 436.556 2.917 50 0 IFAARO O=C(c1ccc(=O)[nH]c1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020209836 526658855 /nfs/dbraw/zinc/65/88/55/526658855.db2.gz UXEBKNWKZPJCAA-DEOSSOPVSA-N 1 0 435.568 2.876 50 0 IFAARO O=C(c1ccc(N2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)cc1)N1CCOCC1 ZINC000012246995 526697703 /nfs/dbraw/zinc/69/77/03/526697703.db2.gz QGCAHFFKGYZLNU-QFIPXVFZSA-N 1 0 437.540 2.557 50 0 IFAARO O=C(CN(CCc1ccccc1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000015864075 526698263 /nfs/dbraw/zinc/69/82/63/526698263.db2.gz YPUACYUTLBJNFJ-UHFFFAOYSA-N 1 0 430.346 2.566 50 0 IFAARO O=C(c1cn(CCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)nn1)N1CCOCC1 ZINC000012150640 526864475 /nfs/dbraw/zinc/86/44/75/526864475.db2.gz BNHYOMXAFWXDBI-UHFFFAOYSA-N 1 0 429.908 2.844 50 0 IFAARO O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012791607 526927021 /nfs/dbraw/zinc/92/70/21/526927021.db2.gz DNCQTDBUSQQIGZ-UHFFFAOYSA-N 1 0 425.492 2.802 50 0 IFAARO O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCCCCC1 ZINC000032987618 526942747 /nfs/dbraw/zinc/94/27/47/526942747.db2.gz LPCKGJRUTDLEKW-UHFFFAOYSA-N 1 0 449.552 2.828 50 0 IFAARO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000022822087 527055790 /nfs/dbraw/zinc/05/57/90/527055790.db2.gz AFIOSLDSXQQXDF-UHFFFAOYSA-N 1 0 427.936 2.992 50 0 IFAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)cc1 ZINC000012895244 527311898 /nfs/dbraw/zinc/31/18/98/527311898.db2.gz VHEOGTFRDJZPJM-JOCHJYFZSA-N 1 0 440.565 2.633 50 0 IFAARO O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012893574 527416572 /nfs/dbraw/zinc/41/65/72/527416572.db2.gz CHFQMTQFOMMXLX-UHFFFAOYSA-N 1 0 426.904 2.536 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 ZINC000022582880 527531113 /nfs/dbraw/zinc/53/11/13/527531113.db2.gz LKNMLMNUMNZSJT-UHFFFAOYSA-N 1 0 445.567 2.920 50 0 IFAARO O=C(/C=C/c1ccccn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020908677 527636298 /nfs/dbraw/zinc/63/62/98/527636298.db2.gz XJNUEAOLGQGLFU-FGBWHXJSSA-N 1 0 434.540 2.632 50 0 IFAARO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000009126570 555509704 /nfs/dbraw/zinc/50/97/04/555509704.db2.gz KCAGYINEGRRXAN-INIZCTEOSA-N 1 0 425.428 2.955 50 0 IFAARO Cn1c2nc(SCC[NH+]3CCCCC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000634912 555516665 /nfs/dbraw/zinc/51/66/65/555516665.db2.gz JITKPWYHHRRNRD-UHFFFAOYSA-N 1 0 447.992 2.713 50 0 IFAARO CCC[NH+](CCC)CCCNC(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000008595815 556190460 /nfs/dbraw/zinc/19/04/60/556190460.db2.gz IXVCFTSUYYFROV-UHFFFAOYSA-N 1 0 429.496 2.819 50 0 IFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000009194398 556254420 /nfs/dbraw/zinc/25/44/20/556254420.db2.gz RMDYDHVRWBYHGB-UHFFFAOYSA-N 1 0 446.305 2.513 50 0 IFAARO CCc1ccc([C@H](CNC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)[NH+](C)C)cc1 ZINC000032734922 556305604 /nfs/dbraw/zinc/30/56/04/556305604.db2.gz VHTMCXBOQWZGPO-INIZCTEOSA-N 1 0 448.449 2.982 50 0 IFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(I)cc1 ZINC000032761022 556324912 /nfs/dbraw/zinc/32/49/12/556324912.db2.gz WAARQVPQXJBDGC-UHFFFAOYSA-N 1 0 449.336 2.839 50 0 IFAARO Cc1cc(C)n(C[C@@H](C)N2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)n1 ZINC000011820460 556362546 /nfs/dbraw/zinc/36/25/46/556362546.db2.gz UTUPLQGFCDYWJN-OAQYLSRUSA-N 1 0 438.620 2.776 50 0 IFAARO COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011873062 556369363 /nfs/dbraw/zinc/36/93/63/556369363.db2.gz ZSZVISHQZLECAT-JOCHJYFZSA-N 1 0 441.572 2.624 50 0 IFAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)c1 ZINC000011879167 556371727 /nfs/dbraw/zinc/37/17/27/556371727.db2.gz GFRPVRYDJJVEAP-UHFFFAOYSA-N 1 0 426.513 2.893 50 0 IFAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000011882332 556373715 /nfs/dbraw/zinc/37/37/15/556373715.db2.gz QMTYMBCWQGKURV-MRXNPFEDSA-N 1 0 440.573 2.674 50 0 IFAARO COc1ccc([C@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)[NH+]2CCCCC2)cc1 ZINC000014237529 556400003 /nfs/dbraw/zinc/40/00/03/556400003.db2.gz GUNAIJWKOXFDBC-FQEVSTJZSA-N 1 0 442.560 2.593 50 0 IFAARO O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022930045 556403521 /nfs/dbraw/zinc/40/35/21/556403521.db2.gz IAHYMBCICRECRE-NRFANRHFSA-N 1 0 449.624 2.805 50 0 IFAARO CCOC(=O)c1cc(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc(C(=O)OCC)c1 ZINC000022930311 556403959 /nfs/dbraw/zinc/40/39/59/556403959.db2.gz JZCHNPWGTIIDRC-NRFANRHFSA-N 1 0 441.528 2.871 50 0 IFAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000014536069 556423446 /nfs/dbraw/zinc/42/34/46/556423446.db2.gz NQOYZCOQSSJLPR-UHFFFAOYSA-N 1 0 437.496 2.853 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC000014536984 556423768 /nfs/dbraw/zinc/42/37/68/556423768.db2.gz BDXOUJCTLYYZHN-GOSISDBHSA-N 1 0 432.515 2.937 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014731718 556436796 /nfs/dbraw/zinc/43/67/96/556436796.db2.gz VZKZUEXUXGSJGV-MRXNPFEDSA-N 1 0 432.515 2.937 50 0 IFAARO CC(C)CNc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732274 556437223 /nfs/dbraw/zinc/43/72/23/556437223.db2.gz UGXNBVNMMOLQDX-QGZVFWFLSA-N 1 0 438.638 2.903 50 0 IFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014740404 556438144 /nfs/dbraw/zinc/43/81/44/556438144.db2.gz ZBMTZROJDZEMDU-UHFFFAOYSA-N 1 0 435.524 2.701 50 0 IFAARO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014746497 556441146 /nfs/dbraw/zinc/44/11/46/556441146.db2.gz JAIPEOBNVDNVLB-UHFFFAOYSA-N 1 0 437.540 2.880 50 0 IFAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)C[N@H+](Cc2ccncc2)C1 ZINC000014749651 556442946 /nfs/dbraw/zinc/44/29/46/556442946.db2.gz ASRYGAOPAFTPJJ-JQVVWYNYSA-N 1 0 440.519 2.593 50 0 IFAARO CN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)NCCCn2ccnc2)c1 ZINC000014751967 556443727 /nfs/dbraw/zinc/44/37/27/556443727.db2.gz PAVVJXKZXMJEGY-UHFFFAOYSA-N 1 0 447.586 2.627 50 0 IFAARO COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1 ZINC000014752446 556444094 /nfs/dbraw/zinc/44/40/94/556444094.db2.gz MZNZQJXQJGNCNS-HXUWFJFHSA-N 1 0 440.588 2.710 50 0 IFAARO CCCOc1c(Br)cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1OC ZINC000072272938 556445882 /nfs/dbraw/zinc/44/58/82/556445882.db2.gz RQXWKBYNOWRJHK-HNNXBMFYSA-N 1 0 442.398 2.860 50 0 IFAARO CCCOc1c(Br)cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1OC ZINC000072272937 556445984 /nfs/dbraw/zinc/44/59/84/556445984.db2.gz RQXWKBYNOWRJHK-OAHLLOKOSA-N 1 0 442.398 2.860 50 0 IFAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883578 556454761 /nfs/dbraw/zinc/45/47/61/556454761.db2.gz ADYCOUFTJMAKOC-FPOVZHCZSA-N 1 0 432.561 2.821 50 0 IFAARO COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@@H]([NH+](C)C)C4)c3C)nc1-2 ZINC000014951574 556460672 /nfs/dbraw/zinc/46/06/72/556460672.db2.gz ZDWAFSVEEUPJOH-GOSISDBHSA-N 1 0 432.528 2.521 50 0 IFAARO COc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000029090714 556467296 /nfs/dbraw/zinc/46/72/96/556467296.db2.gz ZHHDRUXRKHDUES-MRXNPFEDSA-N 1 0 435.590 2.615 50 0 IFAARO COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000013114891 556467641 /nfs/dbraw/zinc/46/76/41/556467641.db2.gz PMUVWYJNIWMCDZ-UHFFFAOYSA-N 1 0 431.558 2.591 50 0 IFAARO COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)C4CC[NH+](C)CC4)c3C)ncc1CC2 ZINC000014987137 556473404 /nfs/dbraw/zinc/47/34/04/556473404.db2.gz QVWYHHOKRXWYFG-UHFFFAOYSA-N 1 0 446.555 2.911 50 0 IFAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc(I)cc2)CC(C)(C)[NH2+]1 ZINC000015014214 556484565 /nfs/dbraw/zinc/48/45/65/556484565.db2.gz ZZBSQNUWWKPYOR-UHFFFAOYSA-N 1 0 429.302 2.655 50 0 IFAARO CCN1CCC([NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000015073320 556497381 /nfs/dbraw/zinc/49/73/81/556497381.db2.gz WGLKWQWGRKCITB-UHFFFAOYSA-N 1 0 425.533 2.985 50 0 IFAARO Cc1cc2c(cc1S(=O)(=O)NCCCN1CC[NH+](C)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000022937432 556506166 /nfs/dbraw/zinc/50/61/66/556506166.db2.gz ZUJSDPFJWYNHDU-UHFFFAOYSA-N 1 0 446.617 2.547 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937726 556506604 /nfs/dbraw/zinc/50/66/04/556506604.db2.gz LYSBKQANDZYGHM-XMMPIXPASA-N 1 0 434.584 2.792 50 0 IFAARO Cn1c2ccccc2nc(N2CCC(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)c1=O ZINC000064873857 556507575 /nfs/dbraw/zinc/50/75/75/556507575.db2.gz BMCPGAIDCJYWSE-UHFFFAOYSA-N 1 0 439.604 2.921 50 0 IFAARO COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000015387765 556523968 /nfs/dbraw/zinc/52/39/68/556523968.db2.gz OUSRBAFGAQEEJC-IBGZPJMESA-N 1 0 448.361 2.997 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000032899242 556524587 /nfs/dbraw/zinc/52/45/87/556524587.db2.gz UOWBTIDFDKETCX-IAGOWNOFSA-N 1 0 449.548 2.856 50 0 IFAARO COCCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000072308504 556565313 /nfs/dbraw/zinc/56/53/13/556565313.db2.gz SQHUZJQTFZSKCA-OAHLLOKOSA-N 1 0 445.345 2.662 50 0 IFAARO NC(=O)c1cc([C@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589472 556578150 /nfs/dbraw/zinc/57/81/50/556578150.db2.gz MUDKZNGUXRBVIH-PZJWPPBQSA-N 1 0 434.492 2.828 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000032987481 556607672 /nfs/dbraw/zinc/60/76/72/556607672.db2.gz CQPXYYUPGXGCPK-UHFFFAOYSA-N 1 0 431.562 2.608 50 0 IFAARO COc1cc(COC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000016677543 556622706 /nfs/dbraw/zinc/62/27/06/556622706.db2.gz CVQQQVSQTWWINM-HXUWFJFHSA-N 1 0 434.508 2.551 50 0 IFAARO CCc1cc2c(cc3c(=O)n(CC(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)ncn23)s1 ZINC000005131636 556639165 /nfs/dbraw/zinc/63/91/65/556639165.db2.gz DBXRBZHNQFLVLG-HZPDHXFCSA-N 1 0 429.590 2.757 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000409414598 556639813 /nfs/dbraw/zinc/63/98/13/556639813.db2.gz NEUDBCYODBUKHN-JAXLGGSGSA-N 1 0 431.577 2.758 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000409413040 556640130 /nfs/dbraw/zinc/64/01/30/556640130.db2.gz AHHVMYRUENLJJI-RXVVDRJESA-N 1 0 428.581 2.780 50 0 IFAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017053226 556654383 /nfs/dbraw/zinc/65/43/83/556654383.db2.gz RRPIEGHCLNMQEZ-UHFFFAOYSA-N 1 0 427.570 2.819 50 0 IFAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000033010195 556658156 /nfs/dbraw/zinc/65/81/56/556658156.db2.gz FXDJFXPIHHPGAZ-UHFFFAOYSA-N 1 0 447.587 3.000 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000033010209 556658168 /nfs/dbraw/zinc/65/81/68/556658168.db2.gz LEMTYOPGXIFGQW-UHFFFAOYSA-N 1 0 433.578 2.829 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248262062 556677743 /nfs/dbraw/zinc/67/77/43/556677743.db2.gz WNYSZEZUHUALTK-AVJFOWIRSA-N 1 0 442.519 2.931 50 0 IFAARO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3C[N@@H+]3CCC[C@@H]3CO)c2c1C ZINC000072313866 556694541 /nfs/dbraw/zinc/69/45/41/556694541.db2.gz WKNMYJDJDRXGTD-RBUKOAKNSA-N 1 0 445.633 2.566 50 0 IFAARO Cc1nc(CC[NH2+]Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)nc2c1CCCC2 ZINC000019111162 556699983 /nfs/dbraw/zinc/69/99/83/556699983.db2.gz PXSPOMHUVYNQAC-UHFFFAOYSA-N 1 0 426.952 2.999 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc2ncccn2n1 ZINC000019144612 556706739 /nfs/dbraw/zinc/70/67/39/556706739.db2.gz SFPZJOCIZLPZDT-LJQANCHMSA-N 1 0 433.556 2.697 50 0 IFAARO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1 ZINC000033027649 556707163 /nfs/dbraw/zinc/70/71/63/556707163.db2.gz ILOSQRYSGLLHDZ-UHFFFAOYSA-N 1 0 443.504 2.800 50 0 IFAARO C[C@H]1CCCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccccc3)c2)C1 ZINC000033033033 556713585 /nfs/dbraw/zinc/71/35/85/556713585.db2.gz MULHZBMWEQYNLK-SFHVURJKSA-N 1 0 442.585 2.769 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCC3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033323 556714071 /nfs/dbraw/zinc/71/40/71/556714071.db2.gz WXWRWGJHGPARMJ-UHFFFAOYSA-N 1 0 442.585 2.750 50 0 IFAARO CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033033935 556715187 /nfs/dbraw/zinc/71/51/87/556715187.db2.gz BFUQRGGBJLPZHO-HNNXBMFYSA-N 1 0 434.537 2.564 50 0 IFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)C1 ZINC000019226954 556717029 /nfs/dbraw/zinc/71/70/29/556717029.db2.gz NUQUDRQCOYTOHF-OAQYLSRUSA-N 1 0 425.577 2.549 50 0 IFAARO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000019229549 556717980 /nfs/dbraw/zinc/71/79/80/556717980.db2.gz LSPAPBFQSRHODV-UHFFFAOYSA-N 1 0 444.514 2.883 50 0 IFAARO CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3ccc(F)cc3)s2)CC1 ZINC000033039599 556731321 /nfs/dbraw/zinc/73/13/21/556731321.db2.gz LBSVGVZXTSEOAQ-UHFFFAOYSA-N 1 0 428.537 2.930 50 0 IFAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000072013566 556747493 /nfs/dbraw/zinc/74/74/93/556747493.db2.gz PVWOENMPGHRDFU-MVBJRAQVSA-N 1 0 443.632 2.906 50 0 IFAARO COc1cccc([C@@H](CNC(=O)Nc2cccc(-n3nnnc3SC)c2)[NH+](C)C)c1 ZINC000058086305 556757408 /nfs/dbraw/zinc/75/74/08/556757408.db2.gz BVDWZIZEMUNVPR-GOSISDBHSA-N 1 0 427.534 2.817 50 0 IFAARO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000058229454 556774065 /nfs/dbraw/zinc/77/40/65/556774065.db2.gz SGZZUVKLJNPPMB-QGZVFWFLSA-N 1 0 436.574 2.816 50 0 IFAARO CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000059332586 556797984 /nfs/dbraw/zinc/79/79/84/556797984.db2.gz WKDQTQJGMAYBJM-NRFANRHFSA-N 1 0 429.586 2.798 50 0 IFAARO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000060378112 556807335 /nfs/dbraw/zinc/80/73/35/556807335.db2.gz LASWNUKUMMVAQT-GOSISDBHSA-N 1 0 427.520 2.825 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)CC1 ZINC000067613142 556844311 /nfs/dbraw/zinc/84/43/11/556844311.db2.gz JXKFXXNXTHXPHN-UHFFFAOYSA-N 1 0 428.558 2.621 50 0 IFAARO C[C@H](CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)[NH+]1CCCC1 ZINC000033131513 556872203 /nfs/dbraw/zinc/87/22/03/556872203.db2.gz ADYBESCLRYLTOG-OAHLLOKOSA-N 1 0 446.038 2.682 50 0 IFAARO c1cc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739631 556878633 /nfs/dbraw/zinc/87/86/33/556878633.db2.gz MBPMZHIYLPYXSB-FQEVSTJZSA-N 1 0 435.528 2.734 50 0 IFAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004711975 556890386 /nfs/dbraw/zinc/89/03/86/556890386.db2.gz CHKIRRDVGFQXAJ-JOCHJYFZSA-N 1 0 435.634 2.509 50 0 IFAARO CCC[NH+]1CCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1 ZINC000019745510 556891993 /nfs/dbraw/zinc/89/19/93/556891993.db2.gz FFMKRDUDFFCVFW-OAQYLSRUSA-N 1 0 439.478 2.666 50 0 IFAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)C[C@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 ZINC000019770327 556912744 /nfs/dbraw/zinc/91/27/44/556912744.db2.gz BVQUWTHEHWDWBU-HXUWFJFHSA-N 1 0 426.582 2.597 50 0 IFAARO O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097111924 556990323 /nfs/dbraw/zinc/99/03/23/556990323.db2.gz ZJPOAHIZLJEGFT-IBGZPJMESA-N 1 0 439.478 2.673 50 0 IFAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048276796 557056444 /nfs/dbraw/zinc/05/64/44/557056444.db2.gz JNAVAZCIEKWDMZ-FQEVSTJZSA-N 1 0 428.537 2.700 50 0 IFAARO O=C(NCCCCC[NH+]1CCOCC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000023128917 557065734 /nfs/dbraw/zinc/06/57/34/557065734.db2.gz VQSQLKROSHCPCH-UHFFFAOYSA-N 1 0 443.588 2.699 50 0 IFAARO COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCCC2)cc1N1CCCCC1=O ZINC000048368965 557075874 /nfs/dbraw/zinc/07/58/74/557075874.db2.gz ANPHFLYVOKNECW-FXAWDEMLSA-N 1 0 430.549 2.835 50 0 IFAARO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000023257636 557079887 /nfs/dbraw/zinc/07/98/87/557079887.db2.gz DQZYWJUVKNMJKI-UHFFFAOYSA-N 1 0 446.599 2.950 50 0 IFAARO C[NH+]1CCN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5o4)CC3)cn2)CC1 ZINC000023318778 557083801 /nfs/dbraw/zinc/08/38/01/557083801.db2.gz CJXJSXQUVDSRSS-UHFFFAOYSA-N 1 0 434.544 2.507 50 0 IFAARO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000023421591 557091698 /nfs/dbraw/zinc/09/16/98/557091698.db2.gz RAMTYBZJBNACNE-UHFFFAOYSA-N 1 0 434.389 2.605 50 0 IFAARO C[NH+](C)Cc1ccccc1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000023444827 557092498 /nfs/dbraw/zinc/09/24/98/557092498.db2.gz DGYITOJIYWSLLV-UHFFFAOYSA-N 1 0 443.345 2.927 50 0 IFAARO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)C2=O)cc1 ZINC000023737946 557112355 /nfs/dbraw/zinc/11/23/55/557112355.db2.gz TZAKCOCVUXEYLM-BWKNWUBXSA-N 1 0 434.540 2.715 50 0 IFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000014732180 557161803 /nfs/dbraw/zinc/16/18/03/557161803.db2.gz KFSADBVHGYTDPQ-UHFFFAOYSA-N 1 0 426.517 2.553 50 0 IFAARO O=C(CN1CCC(C(=O)N2CCCC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000025754951 557224437 /nfs/dbraw/zinc/22/44/37/557224437.db2.gz ODTWTDNXTIEPQK-QFIPXVFZSA-N 1 0 447.023 2.928 50 0 IFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000583647572 557241203 /nfs/dbraw/zinc/24/12/03/557241203.db2.gz LIIMDHOYZVIGII-BJLQDIEVSA-N 1 0 427.545 2.534 50 0 IFAARO O=C1C[C@@H]([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000102405664 557301564 /nfs/dbraw/zinc/30/15/64/557301564.db2.gz INGHCKPFBGOOPN-OAQYLSRUSA-N 1 0 444.938 2.913 50 0 IFAARO CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)NC)c2)[NH+](C)C)cc1 ZINC000032733306 557314430 /nfs/dbraw/zinc/31/44/30/557314430.db2.gz GAESAFIXRSEJAE-YNEJIKTKSA-N 1 0 445.585 2.598 50 0 IFAARO COc1ccc(-c2csc(C3=C(N)N(CCN4CCOCC4)CC3=O)n2)cc1OC ZINC000102733246 557372023 /nfs/dbraw/zinc/37/20/23/557372023.db2.gz OXFJIYMRZCZUNO-UHFFFAOYSA-N 1 0 430.530 2.721 50 0 IFAARO O=C(CCNS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023873310 557377483 /nfs/dbraw/zinc/37/74/83/557377483.db2.gz GNJGVFUPEUNCSM-UHFFFAOYSA-N 1 0 437.565 2.853 50 0 IFAARO O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000012053988 557525604 /nfs/dbraw/zinc/52/56/04/557525604.db2.gz VYAAXJWTBYONOQ-HXUWFJFHSA-N 1 0 447.535 2.613 50 0 IFAARO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000107591363 557536460 /nfs/dbraw/zinc/53/64/60/557536460.db2.gz AYWWNOHXXVIZEQ-KXBFYZLASA-N 1 0 427.998 2.925 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1C ZINC000045944604 557553137 /nfs/dbraw/zinc/55/31/37/557553137.db2.gz BWNHJLBUUCYESX-OAQYLSRUSA-N 1 0 443.613 2.920 50 0 IFAARO COc1ccc([C@H](CN2C(=O)CN(Cc3cc(OC)cc(OC)c3)C2=O)[NH+](C)C)cc1 ZINC000225450765 557724208 /nfs/dbraw/zinc/72/42/08/557724208.db2.gz LGGMJXNIXUVFQH-NRFANRHFSA-N 1 0 427.501 2.780 50 0 IFAARO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000225759093 557773830 /nfs/dbraw/zinc/77/38/30/557773830.db2.gz FNNHEDDRSCHIDX-NRFANRHFSA-N 1 0 447.587 2.758 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H](C)O1 ZINC000229569309 557832832 /nfs/dbraw/zinc/83/28/32/557832832.db2.gz MEBYILFTARBJIG-OAGGEKHMSA-N 1 0 427.467 2.674 50 0 IFAARO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229892457 557833705 /nfs/dbraw/zinc/83/37/05/557833705.db2.gz ZBMSHHNCKGMYTQ-KCXPTXFHSA-N 1 0 425.847 2.910 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670350 557850188 /nfs/dbraw/zinc/85/01/88/557850188.db2.gz NRGAEGNALZRINI-JOCHJYFZSA-N 1 0 430.455 2.764 50 0 IFAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 ZINC000002433407 562927632 /nfs/dbraw/zinc/92/76/32/562927632.db2.gz SVULNGAEWAIQRI-HNNXBMFYSA-N 1 0 433.530 2.968 50 0 IFAARO CC[NH+](CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc21 ZINC000002942990 562930968 /nfs/dbraw/zinc/93/09/68/562930968.db2.gz MCEDGJBDKVSRCX-UHFFFAOYSA-N 1 0 438.528 2.865 50 0 IFAARO CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC[NH+](C)C)ccc1OC ZINC000003363227 562934833 /nfs/dbraw/zinc/93/48/33/562934833.db2.gz YZGGDDAZRZICLL-UHFFFAOYSA-N 1 0 433.574 2.588 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCCCC3)c(O)c2c1 ZINC000006181396 562946407 /nfs/dbraw/zinc/94/64/07/562946407.db2.gz ZMKJOGAJJFTPPZ-UHFFFAOYSA-N 1 0 448.589 2.577 50 0 IFAARO CCCC[N@H+](CC)CCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000008595960 562953732 /nfs/dbraw/zinc/95/37/32/562953732.db2.gz WTTXLVATGXFNEU-UHFFFAOYSA-N 1 0 429.496 2.819 50 0 IFAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c[nH]1 ZINC000009301133 562969126 /nfs/dbraw/zinc/96/91/26/562969126.db2.gz ZRWCENNUXJDNOF-UHFFFAOYSA-N 1 0 425.938 2.645 50 0 IFAARO CCC[NH+]1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC(C)C)cc3)NC(=O)N2)CC1 ZINC000020214453 563024149 /nfs/dbraw/zinc/02/41/49/563024149.db2.gz OVCQQKDTQZCFAS-JOCHJYFZSA-N 1 0 444.576 2.673 50 0 IFAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055341069 563142594 /nfs/dbraw/zinc/14/25/94/563142594.db2.gz YABZEWCYGYNPJJ-QFIPXVFZSA-N 1 0 427.568 2.922 50 0 IFAARO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000252476987 568620280 /nfs/dbraw/zinc/62/02/80/568620280.db2.gz GCGFHEPKAAPXBJ-GUDVDZBRSA-N 1 0 439.597 2.946 50 0 IFAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cc2ccccc2o1 ZINC000299761443 568755890 /nfs/dbraw/zinc/75/58/90/568755890.db2.gz LTYXHJTYRATBQZ-HXUWFJFHSA-N 1 0 425.529 2.512 50 0 IFAARO O=C(c1n[nH]c2c1CCC2)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000299767345 568756438 /nfs/dbraw/zinc/75/64/38/568756438.db2.gz QTKAZSRZKVQGOY-HXUWFJFHSA-N 1 0 439.604 2.618 50 0 IFAARO O=C1CO[C@@H](CNc2cc(C(F)(F)F)ccn2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299775428 568756792 /nfs/dbraw/zinc/75/67/92/568756792.db2.gz JIWMVWQDWWMPQS-SFHVURJKSA-N 1 0 426.483 2.862 50 0 IFAARO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000084706242 568800047 /nfs/dbraw/zinc/80/00/47/568800047.db2.gz XIPZRANJHIAQPA-SVMVAKDDSA-N 1 0 439.556 2.766 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@@H](C)O1 ZINC000084706247 568800083 /nfs/dbraw/zinc/80/00/83/568800083.db2.gz XIPZRANJHIAQPA-HMFYCAOWSA-N 1 0 439.556 2.766 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(C)c1C ZINC000015671274 568802326 /nfs/dbraw/zinc/80/23/26/568802326.db2.gz ZXDRCUGFAIHHBS-UHFFFAOYSA-N 1 0 445.589 2.522 50 0 IFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CCc3nnc4ccc(N5CCCC5)nn43)C2)cc1 ZINC000015678737 568805350 /nfs/dbraw/zinc/80/53/50/568805350.db2.gz RMZVLCGEOVQVQC-OAQYLSRUSA-N 1 0 447.587 2.604 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC[C@@H]4CCC[N@@H+]4CC)CC3)ccc21 ZINC000015784263 568827179 /nfs/dbraw/zinc/82/71/79/568827179.db2.gz KGELEVYYRWMHMO-FQEVSTJZSA-N 1 0 446.617 2.662 50 0 IFAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCC[NH+]1CCCCCC1 ZINC000015787133 568836823 /nfs/dbraw/zinc/83/68/23/568836823.db2.gz RURSEQUAQSSOOM-UHFFFAOYSA-N 1 0 448.567 2.594 50 0 IFAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000015864287 568849658 /nfs/dbraw/zinc/84/96/58/568849658.db2.gz ZUEBLAZZOUHHMU-UHFFFAOYSA-N 1 0 443.613 2.797 50 0 IFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000015957843 568860238 /nfs/dbraw/zinc/86/02/38/568860238.db2.gz KXZMMDGXIUQYNM-MSZDEVHKSA-N 1 0 439.471 2.560 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967977 568861249 /nfs/dbraw/zinc/86/12/49/568861249.db2.gz BDYLUWBKBGWIEL-UGCAPWQASA-N 1 0 449.576 2.711 50 0 IFAARO CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000025909921 568880999 /nfs/dbraw/zinc/88/09/99/568880999.db2.gz XXLNRXUKIIGSNG-GOSISDBHSA-N 1 0 441.475 2.656 50 0 IFAARO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000013008192 568899574 /nfs/dbraw/zinc/89/95/74/568899574.db2.gz HFUNYNKWXQZYOO-SANMLTNESA-N 1 0 446.551 2.794 50 0 IFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]1[C@H]1CCCN12 ZINC000248380892 568919250 /nfs/dbraw/zinc/91/92/50/568919250.db2.gz RMUNWQPYCXCXOC-QILISPFLSA-N 1 0 443.503 2.735 50 0 IFAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000248380893 568919336 /nfs/dbraw/zinc/91/93/36/568919336.db2.gz RMUNWQPYCXCXOC-YGWSKSRPSA-N 1 0 443.503 2.735 50 0 IFAARO CSc1nc2ncc(-c3ccnc(N4CC[NH+](Cc5ccccc5)CC4)n3)c(C)n2n1 ZINC000054202039 568925275 /nfs/dbraw/zinc/92/52/75/568925275.db2.gz JEMUYHNPZMZBJG-UHFFFAOYSA-N 1 0 432.557 2.934 50 0 IFAARO CCCCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000064799886 568961306 /nfs/dbraw/zinc/96/13/06/568961306.db2.gz IJIMLCOAKMJQDT-UHFFFAOYSA-N 1 0 439.560 2.763 50 0 IFAARO CCn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835888 568968831 /nfs/dbraw/zinc/96/88/31/568968831.db2.gz ILYCTGLQPOWAKT-UHFFFAOYSA-N 1 0 428.496 2.722 50 0 IFAARO CCn1c2c(C(=O)NCc3ccco3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835921 568969245 /nfs/dbraw/zinc/96/92/45/568969245.db2.gz UJTIIXUMGUGVFR-UHFFFAOYSA-N 1 0 431.496 2.597 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000036310025 568996451 /nfs/dbraw/zinc/99/64/51/568996451.db2.gz JBOYQRAGXJTKHU-HKUYNNGSSA-N 1 0 448.585 2.591 50 0 IFAARO CCC[NH+]1CCN(C(=O)CN2c3ccccc3N(C(=O)Nc3ccccc3)CC2=O)CC1 ZINC000064971360 569076130 /nfs/dbraw/zinc/07/61/30/569076130.db2.gz YMBHQTSDLUYSMR-UHFFFAOYSA-N 1 0 435.528 2.626 50 0 IFAARO Cn1cnc2c(C(=O)NCCC[NH+]3CCCCCC3)nn(-c3ccc(Cl)cc3)c2c1=O ZINC000064991920 569084362 /nfs/dbraw/zinc/08/43/62/569084362.db2.gz UNXFIFFBEMIQFG-UHFFFAOYSA-N 1 0 442.951 2.769 50 0 IFAARO O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000169760149 569094558 /nfs/dbraw/zinc/09/45/58/569094558.db2.gz ZWVYRSVBEFQCRU-UHFFFAOYSA-N 1 0 433.556 2.546 50 0 IFAARO CCC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065061995 569096930 /nfs/dbraw/zinc/09/69/30/569096930.db2.gz NKKUAGOJERTBCA-UHFFFAOYSA-N 1 0 434.027 2.747 50 0 IFAARO Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)cc1 ZINC000065074889 569099267 /nfs/dbraw/zinc/09/92/67/569099267.db2.gz KBMAHFLTBCEENT-UHFFFAOYSA-N 1 0 440.613 2.927 50 0 IFAARO CCc1nc(-c2cccnc2N2CCC[C@H](C(=O)N3CC[NH+](CC(C)C)CC3)C2)no1 ZINC000065227758 569117513 /nfs/dbraw/zinc/11/75/13/569117513.db2.gz GBJHUAKAJDNPTF-SFHVURJKSA-N 1 0 426.565 2.711 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)CC1 ZINC000065256163 569123132 /nfs/dbraw/zinc/12/31/32/569123132.db2.gz XQVQERBCFIERCF-OAQYLSRUSA-N 1 0 437.544 2.583 50 0 IFAARO O=C(c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1)N1CCN(c2ccccn2)CC1 ZINC000065256218 569123204 /nfs/dbraw/zinc/12/32/04/569123204.db2.gz QPAHSEJOMZLONM-JOCHJYFZSA-N 1 0 428.540 2.590 50 0 IFAARO Cn1ccnc1COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000065604807 569140042 /nfs/dbraw/zinc/14/00/42/569140042.db2.gz PYBYPTCGFQKWOP-FQEVSTJZSA-N 1 0 447.539 2.949 50 0 IFAARO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000170598371 569142292 /nfs/dbraw/zinc/14/22/92/569142292.db2.gz YTYHGMANRURMIF-IRXDYDNUSA-N 1 0 437.606 2.528 50 0 IFAARO O=C(CN(C1CC1)S(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000089834897 569165339 /nfs/dbraw/zinc/16/53/39/569165339.db2.gz NEQWFULYNYFQCZ-IBGZPJMESA-N 1 0 449.523 2.972 50 0 IFAARO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc(I)c1 ZINC000089834868 569165348 /nfs/dbraw/zinc/16/53/48/569165348.db2.gz BWAAWVZMZQJGFK-CABCVRRESA-N 1 0 442.322 2.718 50 0 IFAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1OC ZINC000017012252 569170482 /nfs/dbraw/zinc/17/04/82/569170482.db2.gz HXXOMEWCZQLDMZ-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO C[C@@H]1CN(c2ccc(NC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@H](C)O1 ZINC000252458402 569184413 /nfs/dbraw/zinc/18/44/13/569184413.db2.gz FLFBYGKGRXYZJP-FVJLSDCUSA-N 1 0 449.571 2.504 50 0 IFAARO C[C@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C ZINC000252477239 569185742 /nfs/dbraw/zinc/18/57/42/569185742.db2.gz KMMNOWGASBKASI-KGLIPLIRSA-N 1 0 448.917 2.884 50 0 IFAARO COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000252480153 569186140 /nfs/dbraw/zinc/18/61/40/569186140.db2.gz BWWUGNYDYVLQSE-IBGZPJMESA-N 1 0 438.576 2.545 50 0 IFAARO CN1CC[C@H]([NH2+]CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000252535851 569189902 /nfs/dbraw/zinc/18/99/02/569189902.db2.gz HANQKENKIZAUFV-GMAHTHKFSA-N 1 0 438.597 2.849 50 0 IFAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4nn(C)c5ccccc54)CC3)C2)CC1 ZINC000581819722 569211464 /nfs/dbraw/zinc/21/14/64/569211464.db2.gz FANRWGQETQWFIX-FQEVSTJZSA-N 1 0 439.604 2.753 50 0 IFAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820190 569211823 /nfs/dbraw/zinc/21/18/23/569211823.db2.gz XHYRVGUUVBWEFA-JOCHJYFZSA-N 1 0 429.605 2.879 50 0 IFAARO COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCC[NH+](C)C)cc1OC ZINC000006922782 569288201 /nfs/dbraw/zinc/28/82/01/569288201.db2.gz GKEKWGWHSGJYRW-HKWRFOASSA-N 1 0 425.529 2.851 50 0 IFAARO CCc1nc(C)c(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 ZINC000019939282 569332133 /nfs/dbraw/zinc/33/21/33/569332133.db2.gz JQJXRHPQSNITLB-FQEVSTJZSA-N 1 0 425.577 2.791 50 0 IFAARO COc1cc2[nH]c3c(ncn(CCN4CC[NH+](Cc5ccccc5)CC4)c3=O)c2cc1OC ZINC000020438346 569365517 /nfs/dbraw/zinc/36/55/17/569365517.db2.gz FBBFKFBNSQUNNI-UHFFFAOYSA-N 1 0 447.539 2.713 50 0 IFAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000095426524 569365993 /nfs/dbraw/zinc/36/59/93/569365993.db2.gz BMIQLVCFYJIUDX-ZWKOTPCHSA-N 1 0 428.360 2.607 50 0 IFAARO COc1cccc(NC(=O)CN(C2CC2)S(=O)(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000095431833 569366269 /nfs/dbraw/zinc/36/62/69/569366269.db2.gz WDPYJDUQMFLYPJ-QFIPXVFZSA-N 1 0 443.569 2.702 50 0 IFAARO O=C(CN(C1CC1)S(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000095431834 569366352 /nfs/dbraw/zinc/36/63/52/569366352.db2.gz CWSMNEYLLHLNEW-NRFANRHFSA-N 1 0 431.533 2.833 50 0 IFAARO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444035 569366990 /nfs/dbraw/zinc/36/69/90/569366990.db2.gz XEOMURKUNOTBDR-WZONZLPQSA-N 1 0 427.501 2.860 50 0 IFAARO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095459049 569369297 /nfs/dbraw/zinc/36/92/97/569369297.db2.gz NSTFAGXAIRZPRC-LJQANCHMSA-N 1 0 427.524 2.999 50 0 IFAARO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cn(C)cc(Br)c3=O)cc2)CC1 ZINC000095467896 569371184 /nfs/dbraw/zinc/37/11/84/569371184.db2.gz YKCJUJMWDSPLIQ-UHFFFAOYSA-N 1 0 433.350 2.931 50 0 IFAARO Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095479960 569373765 /nfs/dbraw/zinc/37/37/65/569373765.db2.gz PDJQBJVCCWSIJJ-UHFFFAOYSA-N 1 0 426.467 2.764 50 0 IFAARO O=C(c1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc2ccccc21)N1CCOCC1 ZINC000096009738 569379608 /nfs/dbraw/zinc/37/96/08/569379608.db2.gz PEDRTJGHUNPYHN-UHFFFAOYSA-N 1 0 446.551 2.908 50 0 IFAARO C[NH+](C)CCCNC(=O)Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000096116294 569383586 /nfs/dbraw/zinc/38/35/86/569383586.db2.gz CDNAUVZTWMCYCQ-UHFFFAOYSA-N 1 0 429.524 2.642 50 0 IFAARO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400181 569400343 /nfs/dbraw/zinc/40/03/43/569400343.db2.gz AOOLEIAQZGOAGI-OAHLLOKOSA-N 1 0 425.558 2.819 50 0 IFAARO O=C(CN1CCC(NC(=O)C2CC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058133397 569448345 /nfs/dbraw/zinc/44/83/45/569448345.db2.gz KVJOQRSIHOLMIZ-OAQYLSRUSA-N 1 0 432.996 2.584 50 0 IFAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@@H](C)O1 ZINC000031413564 569456388 /nfs/dbraw/zinc/45/63/88/569456388.db2.gz DXNUTDYWHJQKHE-DBXWQHBBSA-N 1 0 425.529 2.554 50 0 IFAARO Cc1ncc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c(-c2ccccc2)n1 ZINC000670455614 569458102 /nfs/dbraw/zinc/45/81/02/569458102.db2.gz SHTPSZHKLBANIM-PIFVYSLYSA-N 1 0 439.563 2.749 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3c(OC)cccc3OC)cc2)CC1 ZINC000004123077 569460087 /nfs/dbraw/zinc/46/00/87/569460087.db2.gz GOESJRRTCWJKNS-UHFFFAOYSA-N 1 0 428.558 2.973 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032398981 569461542 /nfs/dbraw/zinc/46/15/42/569461542.db2.gz JHUUHBHIXJWPJS-UHFFFAOYSA-N 1 0 429.586 2.895 50 0 IFAARO Cc1nc(N2CCCC2)cc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000038670703 569466485 /nfs/dbraw/zinc/46/64/85/569466485.db2.gz FNYKYRUAJDOJNH-UHFFFAOYSA-N 1 0 429.468 2.794 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc(C)c1C ZINC000008705852 569470442 /nfs/dbraw/zinc/47/04/42/569470442.db2.gz VTHKOEIIOUXIMO-NRFANRHFSA-N 1 0 445.585 2.787 50 0 IFAARO CCc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000008708915 569470754 /nfs/dbraw/zinc/47/07/54/569470754.db2.gz JBGDGPNNUPMDFE-UHFFFAOYSA-N 1 0 448.571 2.804 50 0 IFAARO CC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000008746813 569473120 /nfs/dbraw/zinc/47/31/20/569473120.db2.gz QALHZFZKIRFCHY-UHFFFAOYSA-N 1 0 444.601 2.869 50 0 IFAARO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008852764 569479507 /nfs/dbraw/zinc/47/95/07/569479507.db2.gz OAKBJDXFRRTURX-OAHLLOKOSA-N 1 0 429.542 2.875 50 0 IFAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O ZINC000008899277 569484055 /nfs/dbraw/zinc/48/40/55/569484055.db2.gz GKDVZWPALMHMSW-UHFFFAOYSA-N 1 0 431.949 2.536 50 0 IFAARO CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000040113344 569488977 /nfs/dbraw/zinc/48/89/77/569488977.db2.gz XFMXDEDALWGDNP-FQEVSTJZSA-N 1 0 448.633 2.912 50 0 IFAARO CCCC[N@H+](CC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450184 569506298 /nfs/dbraw/zinc/50/62/98/569506298.db2.gz KHFZNMCZSIQHCQ-UHFFFAOYSA-N 1 0 446.411 2.758 50 0 IFAARO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000009126571 569505000 /nfs/dbraw/zinc/50/50/00/569505000.db2.gz KCAGYINEGRRXAN-MRXNPFEDSA-N 1 0 425.428 2.955 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009218166 569512392 /nfs/dbraw/zinc/51/23/92/569512392.db2.gz DCBKPOFJRAWKQJ-KRWDZBQOSA-N 1 0 437.587 2.695 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)CC1 ZINC000009227241 569513418 /nfs/dbraw/zinc/51/34/18/569513418.db2.gz WYRNBUFFPJIKSV-UHFFFAOYSA-N 1 0 439.560 2.998 50 0 IFAARO Cc1cn2c3c(nc2n1-c1ccc(C)c(C)c1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000009243484 569514913 /nfs/dbraw/zinc/51/49/13/569514913.db2.gz NYYMMDAAQRNLNK-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccc(Br)cc1F ZINC000069923648 569523962 /nfs/dbraw/zinc/52/39/62/569523962.db2.gz YSJFECAFURWPTO-UHFFFAOYSA-N 1 0 433.318 2.699 50 0 IFAARO CN1CC[NH+](CCc2ccc(NC(=O)CCC(=O)N3CCc4sccc4C3)cc2)CC1 ZINC000069950301 569525299 /nfs/dbraw/zinc/52/52/99/569525299.db2.gz XPAPMYCPDKOWEV-UHFFFAOYSA-N 1 0 440.613 2.842 50 0 IFAARO COC(=O)c1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009430107 569533864 /nfs/dbraw/zinc/53/38/64/569533864.db2.gz BDJWLPHUBNYJOT-HXUWFJFHSA-N 1 0 436.464 2.695 50 0 IFAARO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1)NC[C@@H]1CCCO1 ZINC000009473078 569539014 /nfs/dbraw/zinc/53/90/14/569539014.db2.gz RXDDTLIIRLNBIG-SFHVURJKSA-N 1 0 444.601 2.660 50 0 IFAARO CC1CC[NH+](CCCNC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1 ZINC000009589829 569549983 /nfs/dbraw/zinc/54/99/83/569549983.db2.gz YIQDUWYLEHJGQX-UHFFFAOYSA-N 1 0 440.588 2.734 50 0 IFAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)cc1OC ZINC000009622092 569553491 /nfs/dbraw/zinc/55/34/91/569553491.db2.gz ZTSHRJWHRYGJAK-UHFFFAOYSA-N 1 0 429.517 2.889 50 0 IFAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009725946 569563891 /nfs/dbraw/zinc/56/38/91/569563891.db2.gz GOZHCWSXQBGLOC-UHFFFAOYSA-N 1 0 449.617 2.626 50 0 IFAARO COc1cccc([C@@H](C[NH2+]C[C@@H](O)CN2CCOCC2)c2c[nH]c3ccccc32)c1OC ZINC000009729827 569564339 /nfs/dbraw/zinc/56/43/39/569564339.db2.gz KAVXKBBNRLRKNZ-WIYYLYMNSA-N 1 0 439.556 2.600 50 0 IFAARO CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)c1 ZINC000009747397 569565833 /nfs/dbraw/zinc/56/58/33/569565833.db2.gz WOSHOVMMQWOIRK-UHFFFAOYSA-N 1 0 428.558 2.617 50 0 IFAARO COc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009747875 569565902 /nfs/dbraw/zinc/56/59/02/569565902.db2.gz BDSPPBYXWLZYJZ-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009789205 569568042 /nfs/dbraw/zinc/56/80/42/569568042.db2.gz SQTKFTOKFRMNTM-JOCHJYFZSA-N 1 0 445.585 2.619 50 0 IFAARO CC[NH+](CC)CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000009820853 569569440 /nfs/dbraw/zinc/56/94/40/569569440.db2.gz GCHJMFLJVMIRNV-UHFFFAOYSA-N 1 0 431.540 2.858 50 0 IFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1 ZINC000009860864 569571915 /nfs/dbraw/zinc/57/19/15/569571915.db2.gz FTKQBQCHAGUHSS-PMACEKPBSA-N 1 0 447.583 2.867 50 0 IFAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(OC)c2OC)N(CC[NH+](C)C)C1=O ZINC000010233191 569579522 /nfs/dbraw/zinc/57/95/22/569579522.db2.gz VDPLZFWUFCYWOH-FQEVSTJZSA-N 1 0 438.480 2.926 50 0 IFAARO NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010334250 569581089 /nfs/dbraw/zinc/58/10/89/569581089.db2.gz RZXVAFSFBIBKLE-QFIPXVFZSA-N 1 0 430.508 2.831 50 0 IFAARO CN(Cc1ccccc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000328596539 569583019 /nfs/dbraw/zinc/58/30/19/569583019.db2.gz AWTAEMKVSCVGRE-UHFFFAOYSA-N 1 0 446.555 3.363 50 0 IFAARO C[NH+](C)CCCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000078355155 569586641 /nfs/dbraw/zinc/58/66/41/569586641.db2.gz RRBRHBJGWXERAA-NRFANRHFSA-N 1 0 449.617 2.786 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000036256826 569588020 /nfs/dbraw/zinc/58/80/20/569588020.db2.gz XBALYMARXGXHFW-NFBKMPQASA-N 1 0 432.653 2.870 50 0 IFAARO CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC[NH2+]CC4)cn3)nc2n(C2CCCC2)c1=O ZINC000003938686 132268080 /nfs/dbraw/zinc/26/80/80/132268080.db2.gz AHJRHEGDXFFMBM-UHFFFAOYSA-N 1 0 447.543 2.966 50 0 fda IFAARO CC(C)C(=O)Nc1cccc(N2CC[NH+](CCCN3C(=O)[C@H]4CCCCN4C3=O)CC2)c1 ZINC000004396454 132271930 /nfs/dbraw/zinc/27/19/30/132271930.db2.gz IKCQRAAEOYJOJX-OAQYLSRUSA-N 1 0 441.576 2.610 50 0 IFAARO CNc1nc(OCC(F)(F)F)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000004573282 132272340 /nfs/dbraw/zinc/27/23/40/132272340.db2.gz LBPFBHWNKHUCPU-UHFFFAOYSA-N 1 0 426.487 2.945 50 0 IFAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3c1ccc(Cl)cc1 ZINC000008774827 132294092 /nfs/dbraw/zinc/29/40/92/132294092.db2.gz QYBDOHIVTXYVLI-UHFFFAOYSA-N 1 0 442.951 2.578 50 0 IFAARO CN(C)c1nc(OCC(F)(F)F)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008856781 132296424 /nfs/dbraw/zinc/29/64/24/132296424.db2.gz CCHGBYLCGJTQQN-UHFFFAOYSA-N 1 0 440.514 2.970 50 0 IFAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)cc1 ZINC000011790784 132340020 /nfs/dbraw/zinc/34/00/20/132340020.db2.gz HHLBYXRBGPNJAB-QHCPKHFHSA-N 1 0 425.529 2.678 50 0 IFAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000020452021 519609422 /nfs/dbraw/zinc/60/94/22/519609422.db2.gz HAPGGRKNINHRLV-UHFFFAOYSA-N 1 0 432.594 2.998 50 0 IFAARO CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1ccccc1 ZINC000022134703 519635430 /nfs/dbraw/zinc/63/54/30/519635430.db2.gz HIVQIKNKQDUTBM-UHFFFAOYSA-N 1 0 433.549 2.569 50 0 IFAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766924 519820263 /nfs/dbraw/zinc/82/02/63/519820263.db2.gz AQHSPADVOWVUIT-FQEVSTJZSA-N 1 0 429.952 2.880 50 0 IFAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000020776938 519826503 /nfs/dbraw/zinc/82/65/03/519826503.db2.gz QVHKVOHANPLPCO-BWKNWUBXSA-N 1 0 443.563 2.954 50 0 IFAARO CCOC[C@H](O)CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012702535 520159839 /nfs/dbraw/zinc/15/98/39/520159839.db2.gz LHXKKBNVOKKNRO-JOCHJYFZSA-N 1 0 426.557 2.900 50 0 IFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559099 520512628 /nfs/dbraw/zinc/51/26/28/520512628.db2.gz MYOHWRUVDAWMAA-HXUWFJFHSA-N 1 0 432.590 2.870 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000035991516 520513602 /nfs/dbraw/zinc/51/36/02/520513602.db2.gz YUTRRDXIUUWUNM-FQEVSTJZSA-N 1 0 434.968 2.881 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+](CC)CC)C3)ccc21 ZINC000021937905 520618700 /nfs/dbraw/zinc/61/87/00/520618700.db2.gz AAPHDWYZMBGBRH-FQEVSTJZSA-N 1 0 448.633 2.910 50 0 IFAARO CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1COC ZINC000012155851 520644122 /nfs/dbraw/zinc/64/41/22/520644122.db2.gz IEKOUMWJWFLGDV-UHFFFAOYSA-N 1 0 426.521 2.873 50 0 IFAARO CC[NH+](CC)CCNC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1 ZINC000021650365 520668218 /nfs/dbraw/zinc/66/82/18/520668218.db2.gz VFNMVNWANPCLIV-UHFFFAOYSA-N 1 0 440.592 2.814 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC ZINC000012038047 520685309 /nfs/dbraw/zinc/68/53/09/520685309.db2.gz UHJFLIKFTYISAB-UHFFFAOYSA-N 1 0 428.562 2.917 50 0 IFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC ZINC000020906231 520700092 /nfs/dbraw/zinc/70/00/92/520700092.db2.gz HBRGXOJXNGBYBE-INIZCTEOSA-N 1 0 439.516 2.828 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[C@H](C)[NH+]3CCCC3)n2C)c1 ZINC000035561126 520815106 /nfs/dbraw/zinc/81/51/06/520815106.db2.gz CGBJCRIALYTARE-KRWDZBQOSA-N 1 0 434.606 2.813 50 0 IFAARO CCOc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1ccc(Cl)cc1 ZINC000040744414 521361028 /nfs/dbraw/zinc/36/10/28/521361028.db2.gz MMAVQASRIQCPSF-UHFFFAOYSA-N 1 0 445.907 2.803 50 0 IFAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCCC3)CC2)c1C ZINC000035425979 521376995 /nfs/dbraw/zinc/37/69/95/521376995.db2.gz RWGDQEWBEZZNIM-UHFFFAOYSA-N 1 0 446.592 2.653 50 0 IFAARO CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035877177 521525057 /nfs/dbraw/zinc/52/50/57/521525057.db2.gz GRTDGWSJUICEMG-QFIPXVFZSA-N 1 0 446.551 2.751 50 0 IFAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805165 521639616 /nfs/dbraw/zinc/63/96/16/521639616.db2.gz NOXHOOQXZOITKA-YKSBVNFPSA-N 1 0 438.572 2.563 50 0 IFAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026827 521645778 /nfs/dbraw/zinc/64/57/78/521645778.db2.gz GSJJBGHWXIIDPF-QGZVFWFLSA-N 1 0 436.626 2.510 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000020985640 521683190 /nfs/dbraw/zinc/68/31/90/521683190.db2.gz WKZQOBLMWAWTJZ-UHFFFAOYSA-N 1 0 428.602 2.619 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2C)CC1 ZINC000012728519 521697958 /nfs/dbraw/zinc/69/79/58/521697958.db2.gz DVEFCAILRAQDFB-PMACEKPBSA-N 1 0 426.561 2.641 50 0 IFAARO CN(CCCC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)S(=O)(=O)c1cccs1 ZINC000022682981 522011153 /nfs/dbraw/zinc/01/11/53/522011153.db2.gz JQONYNGGCRYJFP-KRWDZBQOSA-N 1 0 427.567 2.707 50 0 IFAARO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc(Cl)c1OCC(N)=O ZINC000012880374 522124389 /nfs/dbraw/zinc/12/43/89/522124389.db2.gz YCDXXFGNSWDYBW-UHFFFAOYSA-N 1 0 431.920 2.739 50 0 IFAARO CN(CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012779915 522482110 /nfs/dbraw/zinc/48/21/10/522482110.db2.gz LCSXAHSXMRYPKH-KRWDZBQOSA-N 1 0 442.006 2.975 50 0 IFAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCN(C)CC3)c(=O)cc21 ZINC000012658512 522507018 /nfs/dbraw/zinc/50/70/18/522507018.db2.gz CQTWPVPJEWYXKP-IBGZPJMESA-N 1 0 439.556 2.698 50 0 IFAARO COc1cc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000021795860 522685204 /nfs/dbraw/zinc/68/52/04/522685204.db2.gz YAAGSNQKDFLBMJ-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO CCc1nn(CCCC(=O)NCC[NH+]2CCCCCC2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862490 522705107 /nfs/dbraw/zinc/70/51/07/522705107.db2.gz NQRDLDLSYLJYDQ-UHFFFAOYSA-N 1 0 427.549 2.885 50 0 IFAARO COCC(=O)N(CC[NH+]1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000035771159 522733591 /nfs/dbraw/zinc/73/35/91/522733591.db2.gz WKJVRGSZICUFSJ-UHFFFAOYSA-N 1 0 447.576 2.987 50 0 IFAARO C[N@H+](CCCNC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21)Cc1ccccc1 ZINC000012520114 522765171 /nfs/dbraw/zinc/76/51/71/522765171.db2.gz QOLIXUGJQOKELV-UHFFFAOYSA-N 1 0 442.523 2.747 50 0 IFAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012190289 522820304 /nfs/dbraw/zinc/82/03/04/522820304.db2.gz OTJLIYQDVVVOQG-GOSISDBHSA-N 1 0 445.564 2.887 50 0 IFAARO COC(=O)C1C(C[NH2+]CCc2ccc(OC)c(OC)c2)=NC(=O)N[C@H]1c1ccccc1C ZINC000012463039 522889127 /nfs/dbraw/zinc/88/91/27/522889127.db2.gz UYJQNANPEPPCGH-QFIPXVFZSA-N 1 0 439.512 2.626 50 0 IFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000012439631 523045322 /nfs/dbraw/zinc/04/53/22/523045322.db2.gz ZNHWEYPVNUKNFX-FQEVSTJZSA-N 1 0 436.535 2.887 50 0 IFAARO COc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929251 523221223 /nfs/dbraw/zinc/22/12/23/523221223.db2.gz SRUBHKPTOIJZBR-UHFFFAOYSA-N 1 0 445.527 2.834 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000263585423 523732200 /nfs/dbraw/zinc/73/22/00/523732200.db2.gz IJUXQFRPWFPVRR-NXYDZRKXSA-N 1 0 427.589 2.946 50 0 IFAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2 ZINC000014540045 523800279 /nfs/dbraw/zinc/80/02/79/523800279.db2.gz OAWUTYLKJFKPKS-KRWDZBQOSA-N 1 0 431.602 2.651 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000014956330 523811508 /nfs/dbraw/zinc/81/15/08/523811508.db2.gz CXIXPVWAVVYWLV-XMMPIXPASA-N 1 0 440.588 2.911 50 0 IFAARO CCc1cc2c(cc3c(=O)n(CC(=O)NCC[NH+]4CCCCCC4)nc(CC)n23)s1 ZINC000020862689 523844795 /nfs/dbraw/zinc/84/47/95/523844795.db2.gz OPFLGOWUWMYROO-UHFFFAOYSA-N 1 0 429.590 2.828 50 0 IFAARO C[NH+]1CCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000020985621 523896167 /nfs/dbraw/zinc/89/61/67/523896167.db2.gz AWZLTJVQOIHIDK-UHFFFAOYSA-N 1 0 428.602 2.619 50 0 IFAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)CC1 ZINC000022766413 523917904 /nfs/dbraw/zinc/91/79/04/523917904.db2.gz SBIJAKCZYZJJNU-KRWDZBQOSA-N 1 0 440.491 2.810 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000035363925 523946590 /nfs/dbraw/zinc/94/65/90/523946590.db2.gz KORZJRHCDXYWAD-GHKSEFQYSA-N 1 0 442.519 2.930 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1 ZINC000020451475 524039514 /nfs/dbraw/zinc/03/95/14/524039514.db2.gz WASWVGQVHMDEHR-UHFFFAOYSA-N 1 0 427.455 2.553 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C ZINC000020919317 524039876 /nfs/dbraw/zinc/03/98/76/524039876.db2.gz CIBXVBQCDJQJMS-GOSISDBHSA-N 1 0 441.576 2.566 50 0 IFAARO COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000020999364 524072303 /nfs/dbraw/zinc/07/23/03/524072303.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 1 0 449.542 2.640 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O ZINC000034811172 524103425 /nfs/dbraw/zinc/10/34/25/524103425.db2.gz FKFDHHAVBNTIKL-QGZVFWFLSA-N 1 0 427.524 2.673 50 0 IFAARO COc1ccccc1-n1c2c(cc(C(=O)NC3CC[NH+](C)CC3)c1=O)C(=O)CC(C)(C)C2 ZINC000012402466 524301572 /nfs/dbraw/zinc/30/15/72/524301572.db2.gz FFYADSCQUGZMMB-UHFFFAOYSA-N 1 0 437.540 2.825 50 0 IFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000021534205 524403381 /nfs/dbraw/zinc/40/33/81/524403381.db2.gz IDNDPNRFRDLCKP-UHFFFAOYSA-N 1 0 429.586 2.625 50 0 IFAARO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000013128452 524672926 /nfs/dbraw/zinc/67/29/26/524672926.db2.gz IIALHVOAKODKED-UYAOXDASSA-N 1 0 429.542 2.959 50 0 IFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)CCN2CCOCC2)c1 ZINC000012588006 524926288 /nfs/dbraw/zinc/92/62/88/524926288.db2.gz GXTSETJKSHPXDE-UHFFFAOYSA-N 1 0 445.604 2.885 50 0 IFAARO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000035361552 525053261 /nfs/dbraw/zinc/05/32/61/525053261.db2.gz CXRMBOXVDCGMIY-FQEVSTJZSA-N 1 0 426.586 2.976 50 0 IFAARO C[C@]1(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)NC(=O)NC1=O ZINC000012751958 525277782 /nfs/dbraw/zinc/27/77/82/525277782.db2.gz CSXGVNCSCLYUGJ-KSFYIVLOSA-N 1 0 442.541 2.537 50 0 IFAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795639 525354668 /nfs/dbraw/zinc/35/46/68/525354668.db2.gz MVWFESRPYJMWEO-NRFANRHFSA-N 1 0 444.963 2.700 50 0 IFAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795549 525355520 /nfs/dbraw/zinc/35/55/20/525355520.db2.gz MHXZYTYSSCZMKQ-FQEVSTJZSA-N 1 0 448.926 2.531 50 0 IFAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CC[NH+](C)C)C3=O ZINC000021856244 525644674 /nfs/dbraw/zinc/64/46/74/525644674.db2.gz UTWCCKSBFAMHJF-XMMPIXPASA-N 1 0 426.561 2.875 50 0 IFAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nc(N)n1 ZINC000012761697 526232548 /nfs/dbraw/zinc/23/25/48/526232548.db2.gz XJOKYWGKGNUMEG-HSZRJFAPSA-N 1 0 449.599 2.868 50 0 IFAARO Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000012274205 526257639 /nfs/dbraw/zinc/25/76/39/526257639.db2.gz YZJVBZCHRWZIOF-UHFFFAOYSA-N 1 0 437.573 2.762 50 0 IFAARO O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NCCCCC[NH+]1CCOCC1 ZINC000020600969 526663583 /nfs/dbraw/zinc/66/35/83/526663583.db2.gz WWLJZIPOIKQRGG-UHFFFAOYSA-N 1 0 439.560 2.887 50 0 IFAARO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)c12 ZINC000020945082 526688681 /nfs/dbraw/zinc/68/86/81/526688681.db2.gz KIONEZIFUGWTKW-LJQANCHMSA-N 1 0 434.544 2.923 50 0 IFAARO O=C(c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000012244990 526698109 /nfs/dbraw/zinc/69/81/09/526698109.db2.gz AFYKKDZGUYPEFE-JOCHJYFZSA-N 1 0 437.540 2.771 50 0 IFAARO O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000022789107 527311714 /nfs/dbraw/zinc/31/17/14/527311714.db2.gz MOVOUNAHPYLWFD-OAQYLSRUSA-N 1 0 438.597 2.789 50 0 IFAARO O=c1ccc2cc(S(=O)(=O)N3CCC[C@@H](C[N@@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000021113504 527488376 /nfs/dbraw/zinc/48/83/76/527488376.db2.gz AEYLJXKIZHVCCT-SFHVURJKSA-N 1 0 437.565 2.987 50 0 IFAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCCN3CC[NH+](C)CC3)c(C)c12 ZINC000020867289 527523441 /nfs/dbraw/zinc/52/34/41/527523441.db2.gz YSSKGBKDFRCNCT-UHFFFAOYSA-N 1 0 448.615 2.950 50 0 IFAARO Cn1nc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c2c1-c1ccccc1OC2 ZINC000020484889 527545431 /nfs/dbraw/zinc/54/54/31/527545431.db2.gz FHNFMVZTUTUHIN-UHFFFAOYSA-N 1 0 431.540 2.527 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938347 527668134 /nfs/dbraw/zinc/66/81/34/527668134.db2.gz VJGVGALHBXMITG-DEOSSOPVSA-N 1 0 447.583 2.940 50 0 IFAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)n1 ZINC000009620880 535520459 /nfs/dbraw/zinc/52/04/59/535520459.db2.gz CXRQHSRUDMNJGL-UHFFFAOYSA-N 1 0 437.569 2.980 50 0 IFAARO O=C(NCC[NH+]1CCCC1)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O ZINC000034811582 555909423 /nfs/dbraw/zinc/90/94/23/555909423.db2.gz VFZMZGHZKGNSPD-UHFFFAOYSA-N 1 0 436.343 2.672 50 0 IFAARO Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCC[NH+](C)C)ccc12 ZINC000034836017 555914224 /nfs/dbraw/zinc/91/42/24/555914224.db2.gz ROYXWDKFHKZSNV-UHFFFAOYSA-N 1 0 425.504 2.944 50 0 IFAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCC(=O)NC1CCCCC1 ZINC000004657470 556005330 /nfs/dbraw/zinc/00/53/30/556005330.db2.gz MKYVGUHZQZBZDU-UHFFFAOYSA-N 1 0 433.593 2.725 50 0 IFAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)ccc1Oc1nnnn1-c1ccccc1 ZINC000013728092 556294239 /nfs/dbraw/zinc/29/42/39/556294239.db2.gz UYNWJUJAIHXIFA-UHFFFAOYSA-N 1 0 436.516 2.955 50 0 IFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)C1 ZINC000004325453 556327570 /nfs/dbraw/zinc/32/75/70/556327570.db2.gz FYLZQLHJWXPYGZ-CQSZACIVSA-N 1 0 431.489 2.567 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1F ZINC000013942718 556340018 /nfs/dbraw/zinc/34/00/18/556340018.db2.gz WJXGYLTYBGAXIB-UHFFFAOYSA-N 1 0 449.870 2.552 50 0 IFAARO C[NH+](C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000032781241 556349195 /nfs/dbraw/zinc/34/91/95/556349195.db2.gz YVSLUSGZPKCILK-NRFANRHFSA-N 1 0 427.526 2.791 50 0 IFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1 ZINC000011767940 556349790 /nfs/dbraw/zinc/34/97/90/556349790.db2.gz LIRZYXDCLOCGRY-FQEVSTJZSA-N 1 0 447.583 2.786 50 0 IFAARO Cc1ncc2c(c1CNC(=O)C[NH+]1CCCCC1)CCN(C(=O)c1c(F)cccc1F)C2 ZINC000011787711 556354229 /nfs/dbraw/zinc/35/42/29/556354229.db2.gz KIKQYNBLZGKTLM-UHFFFAOYSA-N 1 0 442.510 2.969 50 0 IFAARO Cc1ccccc1[C@@]1(CC(=O)N(C)C2CC[NH+](C)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790974 556356110 /nfs/dbraw/zinc/35/61/10/556356110.db2.gz ZTDLIIASWWVGRF-AREMUKBSSA-N 1 0 448.567 2.530 50 0 IFAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011868019 556368568 /nfs/dbraw/zinc/36/85/68/556368568.db2.gz QPOFPGYRKAJJGI-SFHVURJKSA-N 1 0 447.539 2.875 50 0 IFAARO CC(C)Oc1ccc(CC[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)cc1 ZINC000011874375 556370774 /nfs/dbraw/zinc/37/07/74/556370774.db2.gz MLFXWGHUAYLBSJ-HSZRJFAPSA-N 1 0 428.573 2.878 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000011878585 556371378 /nfs/dbraw/zinc/37/13/78/556371378.db2.gz PLZYMSMVZVZVRX-UHFFFAOYSA-N 1 0 433.593 2.981 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccc(OC)c2OC)CC3)CC1 ZINC000011881964 556373209 /nfs/dbraw/zinc/37/32/09/556373209.db2.gz BGVQBVOUOYPWCF-LJQANCHMSA-N 1 0 445.560 2.607 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1COc2c(cccc2OC)C1 ZINC000011932867 556376488 /nfs/dbraw/zinc/37/64/88/556376488.db2.gz OSVWEVAFMBQPMS-OAQYLSRUSA-N 1 0 429.605 2.901 50 0 IFAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)ccc1O ZINC000011972801 556382752 /nfs/dbraw/zinc/38/27/52/556382752.db2.gz RUMDEUSQOQRWIQ-QGZVFWFLSA-N 1 0 435.528 2.850 50 0 IFAARO CCn1ncc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1C ZINC000012026778 556387732 /nfs/dbraw/zinc/38/77/32/556387732.db2.gz BEXYZZHLTKXICF-UHFFFAOYSA-N 1 0 430.549 2.640 50 0 IFAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000014531425 556420702 /nfs/dbraw/zinc/42/07/02/556420702.db2.gz XDXNXLZAKHOCQT-UHFFFAOYSA-N 1 0 444.919 2.704 50 0 IFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCN(c3ccccc3OC)CC1)C2 ZINC000014536749 556423773 /nfs/dbraw/zinc/42/37/73/556423773.db2.gz ZNKUXHWCPLDEGI-LJQANCHMSA-N 1 0 437.588 2.827 50 0 IFAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014537425 556424023 /nfs/dbraw/zinc/42/40/23/556424023.db2.gz QDLQBKZESMNKCO-CLJLJLNGSA-N 1 0 435.612 2.858 50 0 IFAARO CC(C)CNc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732273 556437096 /nfs/dbraw/zinc/43/70/96/556437096.db2.gz UGXNBVNMMOLQDX-KRWDZBQOSA-N 1 0 438.638 2.903 50 0 IFAARO O=C(NCCO)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014733726 556437891 /nfs/dbraw/zinc/43/78/91/556437891.db2.gz RECHKTDCQXNBIK-ZWKOTPCHSA-N 1 0 437.462 2.726 50 0 IFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014743963 556440034 /nfs/dbraw/zinc/44/00/34/556440034.db2.gz QTYUBUHMYUWNMM-UHFFFAOYSA-N 1 0 436.556 2.960 50 0 IFAARO Cc1c(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCC(C)C)cnn1C ZINC000014744274 556440055 /nfs/dbraw/zinc/44/00/55/556440055.db2.gz SUGLBTSYZWJIGU-UHFFFAOYSA-N 1 0 438.576 2.969 50 0 IFAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014744754 556440408 /nfs/dbraw/zinc/44/04/08/556440408.db2.gz ZUKPOGWLLULZGF-UHFFFAOYSA-N 1 0 437.540 2.880 50 0 IFAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014748131 556442296 /nfs/dbraw/zinc/44/22/96/556442296.db2.gz GXQAAITXRCZEHJ-UHFFFAOYSA-N 1 0 431.602 2.870 50 0 IFAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000014884877 556455191 /nfs/dbraw/zinc/45/51/91/556455191.db2.gz KQNNUVJIKMXBQR-HXUWFJFHSA-N 1 0 436.560 2.734 50 0 IFAARO COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@H]([NH+](C)C)C4)c3C)nc1-2 ZINC000014951578 556460623 /nfs/dbraw/zinc/46/06/23/556460623.db2.gz ZDWAFSVEEUPJOH-SFHVURJKSA-N 1 0 432.528 2.521 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)CCn2cccn2)CC1 ZINC000014952709 556461244 /nfs/dbraw/zinc/46/12/44/556461244.db2.gz AHFNTUYXYVQCKF-GOSISDBHSA-N 1 0 430.549 2.590 50 0 IFAARO COc1ccccc1/C=C/C[N@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000014957086 556462795 /nfs/dbraw/zinc/46/27/95/556462795.db2.gz RXMRKNVFMAVXRO-VMPITWQZSA-N 1 0 449.530 2.856 50 0 IFAARO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cnc(OC)nc4)C3)C2)c1OC ZINC000014962750 556464463 /nfs/dbraw/zinc/46/44/63/556464463.db2.gz JPIAISOPFMJOKY-HSZRJFAPSA-N 1 0 426.517 2.631 50 0 IFAARO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cnc(OC)nc4)C3)C2)c1OC ZINC000014962754 556464648 /nfs/dbraw/zinc/46/46/48/556464648.db2.gz JPIAISOPFMJOKY-QHCPKHFHSA-N 1 0 426.517 2.631 50 0 IFAARO O=c1c2c(ncn1CCN1CCOCC1)sc1c2CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000014985623 556472234 /nfs/dbraw/zinc/47/22/34/556472234.db2.gz GMXQRPLBINJBKE-QGZVFWFLSA-N 1 0 442.560 2.576 50 0 IFAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@@H]1CCCN(c2ncccn2)C1 ZINC000014985657 556472378 /nfs/dbraw/zinc/47/23/78/556472378.db2.gz PLSCSHGKHPIHCL-TZIWHRDSSA-N 1 0 441.551 2.882 50 0 IFAARO CC1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)CC1 ZINC000029358535 556473334 /nfs/dbraw/zinc/47/33/34/556473334.db2.gz RSPUHPTXOQBINE-UHFFFAOYSA-N 1 0 426.561 2.789 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc4c(c2)CCO4)CC3)CC1 ZINC000014991842 556475596 /nfs/dbraw/zinc/47/55/96/556475596.db2.gz GOPBNCURESFQAX-FQEVSTJZSA-N 1 0 427.545 2.524 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2c(=O)cc(C)n(CC[NH+]3CCCCC3)c2CC)CC1 ZINC000014995796 556477966 /nfs/dbraw/zinc/47/79/66/556477966.db2.gz NDGXPCHXQBKMSW-UHFFFAOYSA-N 1 0 446.592 2.556 50 0 IFAARO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1Cl ZINC000072289518 556483780 /nfs/dbraw/zinc/48/37/80/556483780.db2.gz MDQAGVIRVRKKJF-JHJVBQTASA-N 1 0 436.405 2.998 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C[NH+]2CCC(C(N)=O)CC2)c2c[nH]c3ccccc32)cc1 ZINC000013164345 556496468 /nfs/dbraw/zinc/49/64/68/556496468.db2.gz RQMUTTJICFBECV-OAQYLSRUSA-N 1 0 434.540 2.622 50 0 IFAARO COc1cc(C[C@H]2CC(C[NH2+]Cc3ccc4c(c3)OCO4)=NO2)c(OC)c2c1OCO2 ZINC000015085882 556502553 /nfs/dbraw/zinc/50/25/53/556502553.db2.gz ZAFCEKSELPGFSL-INIZCTEOSA-N 1 0 428.441 2.638 50 0 IFAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032899238 556523981 /nfs/dbraw/zinc/52/39/81/556523981.db2.gz UOWMCJOYSXIYAX-IRXDYDNUSA-N 1 0 449.548 2.856 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000033326806 556561674 /nfs/dbraw/zinc/56/16/74/556561674.db2.gz CZTQZBNMHXHGER-UHFFFAOYSA-N 1 0 446.939 2.638 50 0 IFAARO CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)C[C@H]1CCC[N@@H+]1CC ZINC000072308753 556567486 /nfs/dbraw/zinc/56/74/86/556567486.db2.gz JRYNNMNUFPUTRL-MRXNPFEDSA-N 1 0 439.578 2.603 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016021197 556574960 /nfs/dbraw/zinc/57/49/60/556574960.db2.gz CAJIAIMMSHCSFM-KEXUJGGDSA-N 1 0 425.435 2.541 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000032987076 556606968 /nfs/dbraw/zinc/60/69/68/556606968.db2.gz NYSIXZIKJCTTNU-UHFFFAOYSA-N 1 0 433.603 2.934 50 0 IFAARO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000016599140 556616760 /nfs/dbraw/zinc/61/67/60/556616760.db2.gz GDGOOZHEJUZVSN-HXUWFJFHSA-N 1 0 445.585 2.949 50 0 IFAARO Cc1c(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000039405441 556628739 /nfs/dbraw/zinc/62/87/39/556628739.db2.gz PZPFVQZOCFSIJC-HXUWFJFHSA-N 1 0 426.586 2.615 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000005073352 556631082 /nfs/dbraw/zinc/63/10/82/556631082.db2.gz HTESIISOJUWYFZ-UHFFFAOYSA-N 1 0 429.586 2.666 50 0 IFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cccc(NS(=O)(=O)CC)c2)CC1 ZINC000032921828 556642458 /nfs/dbraw/zinc/64/24/58/556642458.db2.gz ZYVBUYBDUUQHMZ-UHFFFAOYSA-N 1 0 444.601 2.516 50 0 IFAARO O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011753950 556651372 /nfs/dbraw/zinc/65/13/72/556651372.db2.gz XVJNSJNRIGVDLZ-NRFANRHFSA-N 1 0 437.540 2.872 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000248189743 556675602 /nfs/dbraw/zinc/67/56/02/556675602.db2.gz KBYNEFDHULKTTC-DUBGADTFSA-N 1 0 434.334 2.624 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000248189744 556675737 /nfs/dbraw/zinc/67/57/37/556675737.db2.gz KBYNEFDHULKTTC-SANUXOLBSA-N 1 0 434.334 2.624 50 0 IFAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 ZINC000011998607 556679687 /nfs/dbraw/zinc/67/96/87/556679687.db2.gz YTFPHWKTYMZTCX-IBGZPJMESA-N 1 0 445.541 2.549 50 0 IFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc2ncccn2n1 ZINC000019144616 556706775 /nfs/dbraw/zinc/70/67/75/556706775.db2.gz SFPZJOCIZLPZDT-IBGZPJMESA-N 1 0 433.556 2.697 50 0 IFAARO COc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c1 ZINC000033032802 556713222 /nfs/dbraw/zinc/71/32/22/556713222.db2.gz DZAFFRONYJHYMI-UHFFFAOYSA-N 1 0 446.345 2.532 50 0 IFAARO CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000033033957 556715178 /nfs/dbraw/zinc/71/51/78/556715178.db2.gz VUIMFHCRNLDWCK-KRWDZBQOSA-N 1 0 430.574 2.734 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033034314 556716329 /nfs/dbraw/zinc/71/63/29/556716329.db2.gz SLLGVUAVPCEKKZ-UHFFFAOYSA-N 1 0 444.601 2.900 50 0 IFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033034210 556716362 /nfs/dbraw/zinc/71/63/62/556716362.db2.gz FOYKCMCEQBCAKL-UHFFFAOYSA-N 1 0 430.574 2.654 50 0 IFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033034196 556716382 /nfs/dbraw/zinc/71/63/82/556716382.db2.gz XIIQSHSCDUCOGG-UHFFFAOYSA-N 1 0 430.574 2.654 50 0 IFAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000019228656 556717741 /nfs/dbraw/zinc/71/77/41/556717741.db2.gz KUWVUSIOSQWNCN-UHFFFAOYSA-N 1 0 445.523 2.820 50 0 IFAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680169 556735084 /nfs/dbraw/zinc/73/50/84/556735084.db2.gz CQJIGPOAHHTBDW-VXKWHMMOSA-N 1 0 428.621 2.545 50 0 IFAARO Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017863 556754278 /nfs/dbraw/zinc/75/42/78/556754278.db2.gz XCZHREQKUYQYLX-YLJYHZDGSA-N 1 0 436.585 2.839 50 0 IFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](O)c1ccccc1 ZINC000058146463 556761746 /nfs/dbraw/zinc/76/17/46/556761746.db2.gz XBGIHIPTYWXXSD-DNVCBOLYSA-N 1 0 439.965 2.776 50 0 IFAARO CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1)N1CCOCC1 ZINC000058265333 556776472 /nfs/dbraw/zinc/77/64/72/556776472.db2.gz BEFQYKLDDXKGGU-HXUWFJFHSA-N 1 0 435.588 2.836 50 0 IFAARO O=C(CCN1CCOCC1)Nc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000058289449 556777548 /nfs/dbraw/zinc/77/75/48/556777548.db2.gz YLVZGYXXFAYKBI-IBGZPJMESA-N 1 0 447.555 2.579 50 0 IFAARO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[NH+]2CCCC2)o1 ZINC000058307633 556779333 /nfs/dbraw/zinc/77/93/33/556779333.db2.gz VKUNGYINBAMXCC-IEBWSBKVSA-N 1 0 439.512 2.665 50 0 IFAARO O=C(CN1CCN(C(=O)c2ccco2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337684 556781613 /nfs/dbraw/zinc/78/16/13/556781613.db2.gz KUARUJPEENNVPB-HXUWFJFHSA-N 1 0 444.963 2.644 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000058505931 556789681 /nfs/dbraw/zinc/78/96/81/556789681.db2.gz WHNLKQQFOAPZBF-VQTJNVASSA-N 1 0 442.608 2.976 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000033061850 556817457 /nfs/dbraw/zinc/81/74/57/556817457.db2.gz CUEIZPORDVJSAM-UHFFFAOYSA-N 1 0 431.562 2.724 50 0 IFAARO CC[C@H](C)[N@H+](CCNC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O)Cc1cccs1 ZINC000033068502 556823487 /nfs/dbraw/zinc/82/34/87/556823487.db2.gz UGWIQWDMOWJOMJ-KRWDZBQOSA-N 1 0 442.585 2.662 50 0 IFAARO Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000022995637 556833495 /nfs/dbraw/zinc/83/34/95/556833495.db2.gz GMMLLNGKBKWWNH-UHFFFAOYSA-N 1 0 430.499 2.536 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065363033 556834927 /nfs/dbraw/zinc/83/49/27/556834927.db2.gz DLTHTUQHKLHRFA-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000067603884 556843605 /nfs/dbraw/zinc/84/36/05/556843605.db2.gz DIHPMDKXPYCLCR-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000033131257 556871596 /nfs/dbraw/zinc/87/15/96/556871596.db2.gz CDEKXCQTFQQLCR-UHFFFAOYSA-N 1 0 435.977 2.986 50 0 IFAARO CC[NH+](CC)CCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131423 556871941 /nfs/dbraw/zinc/87/19/41/556871941.db2.gz KAHJRRDXIZRNAX-UHFFFAOYSA-N 1 0 434.027 2.539 50 0 IFAARO O=C(CN1c2ccccc2CCCC1=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000033249596 556889550 /nfs/dbraw/zinc/88/95/50/556889550.db2.gz DDRIAWCKVYOLKG-UHFFFAOYSA-N 1 0 426.605 2.813 50 0 IFAARO c1cc2nonc2c(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790934 556914994 /nfs/dbraw/zinc/91/49/94/556914994.db2.gz JDLQKRVLWQNOBI-HXUWFJFHSA-N 1 0 435.528 2.734 50 0 IFAARO COc1ccc(CN2CCC([NH+]3CCN(CCO)CC3)CC2)cc1OCc1ccccc1 ZINC000019868434 556935238 /nfs/dbraw/zinc/93/52/38/556935238.db2.gz XHPFBWVICKABNV-UHFFFAOYSA-N 1 0 439.600 2.849 50 0 IFAARO CCC(CC)[C@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000097166142 556994819 /nfs/dbraw/zinc/99/48/19/556994819.db2.gz SAJHBPXTPYUFMX-AWEZNQCLSA-N 1 0 435.384 2.865 50 0 IFAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000020201163 556997577 /nfs/dbraw/zinc/99/75/77/556997577.db2.gz MZUBTKQYPAMZED-HWKANZROSA-N 1 0 449.530 2.856 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000023133142 557016820 /nfs/dbraw/zinc/01/68/20/557016820.db2.gz KSLLVJCLALXDNC-GOSISDBHSA-N 1 0 448.614 2.766 50 0 IFAARO O=C1C[C@H]([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020437419 557016905 /nfs/dbraw/zinc/01/69/05/557016905.db2.gz INGHCKPFBGOOPN-NRFANRHFSA-N 1 0 444.938 2.913 50 0 IFAARO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000072013567 557020568 /nfs/dbraw/zinc/02/05/68/557020568.db2.gz PVWOENMPGHRDFU-XIHFSLHRSA-N 1 0 443.632 2.906 50 0 IFAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCCC2)c1 ZINC000048264439 557050602 /nfs/dbraw/zinc/05/06/02/557050602.db2.gz YKTRSKKUDLTTGA-RXVVDRJESA-N 1 0 430.549 2.696 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2c3ccccc3n(C)c(=O)c2=O)cc1 ZINC000033272694 557052457 /nfs/dbraw/zinc/05/24/57/557052457.db2.gz UIUUWHWRONCXEC-LJQANCHMSA-N 1 0 448.567 2.743 50 0 IFAARO COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[NH+]1CCCC1 ZINC000048288360 557054071 /nfs/dbraw/zinc/05/40/71/557054071.db2.gz VVXYVOZPHQQLIO-FQEVSTJZSA-N 1 0 425.533 2.885 50 0 IFAARO COc1cccc(C[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)n2nnnc2C)c1 ZINC000048276820 557056752 /nfs/dbraw/zinc/05/67/52/557056752.db2.gz RRTGCLFYAYFQOV-NRFANRHFSA-N 1 0 440.573 2.570 50 0 IFAARO CCN(CC[NH+](CC)CC)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000023353621 557086703 /nfs/dbraw/zinc/08/67/03/557086703.db2.gz BDRAWSPWUHQZGT-HXUWFJFHSA-N 1 0 433.641 2.533 50 0 IFAARO CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C[NH2+]CC1(N2CCOCC2)CCCC1 ZINC000023362716 557088013 /nfs/dbraw/zinc/08/80/13/557088013.db2.gz FBQXARPMPFURKX-UHFFFAOYSA-N 1 0 442.560 2.792 50 0 IFAARO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1OC ZINC000049400800 557096198 /nfs/dbraw/zinc/09/61/98/557096198.db2.gz KTFANQXYGQHHOC-UHFFFAOYSA-N 1 0 448.523 2.766 50 0 IFAARO COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc(OC)c1 ZINC000049400794 557096300 /nfs/dbraw/zinc/09/63/00/557096300.db2.gz KROMYIFQOPGMKV-UHFFFAOYSA-N 1 0 448.523 2.766 50 0 IFAARO Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1F)C[N@H+](Cc1ccccc1)CC2 ZINC000049400865 557096617 /nfs/dbraw/zinc/09/66/17/557096617.db2.gz KCNCKSPIAMLWKN-UHFFFAOYSA-N 1 0 438.478 2.705 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCC[N@H+](C)C3CCCCC3)C2)c1C ZINC000085621268 557102828 /nfs/dbraw/zinc/10/28/28/557102828.db2.gz WNHLJMCMYYBITG-GOSISDBHSA-N 1 0 446.592 2.651 50 0 IFAARO Cc1nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015838322 557118638 /nfs/dbraw/zinc/11/86/38/557118638.db2.gz ZJORLTZWKVGZGZ-UHFFFAOYSA-N 1 0 433.512 2.844 50 0 IFAARO CC(C)Cn1c(N)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000023845987 557120172 /nfs/dbraw/zinc/12/01/72/557120172.db2.gz QHFIDKLWUVOXCX-HSZRJFAPSA-N 1 0 447.583 2.697 50 0 IFAARO Cc1nc(CSc2ccc(C(=O)N3CCCN(CC(=O)N(C)C)CC3)cc2)cs1 ZINC000024712096 557160048 /nfs/dbraw/zinc/16/00/48/557160048.db2.gz AHSPELSYGQFHLR-UHFFFAOYSA-N 1 0 432.615 2.980 50 0 IFAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000096300835 557194767 /nfs/dbraw/zinc/19/47/67/557194767.db2.gz ABICOVPZFGWHHQ-MRXNPFEDSA-N 1 0 436.249 2.722 50 0 IFAARO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000025306375 557203078 /nfs/dbraw/zinc/20/30/78/557203078.db2.gz SPEJKAUHWHEELZ-QFIPXVFZSA-N 1 0 430.520 2.950 50 0 IFAARO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000101331551 557274073 /nfs/dbraw/zinc/27/40/73/557274073.db2.gz NAUYEBGIYLJDLH-ZRZAMGCNSA-N 1 0 431.536 2.825 50 0 IFAARO COc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)cc1OC ZINC000101490521 557288254 /nfs/dbraw/zinc/28/82/54/557288254.db2.gz NNDKNWDCSBMBLK-MRXNPFEDSA-N 1 0 449.960 2.868 50 0 IFAARO Cn1nc(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c2ccccc2c1=O ZINC000014083867 557299674 /nfs/dbraw/zinc/29/96/74/557299674.db2.gz DQRJUDXEIOELRC-UHFFFAOYSA-N 1 0 426.520 2.974 50 0 IFAARO CCC[NH+]1CCN(C(=O)COCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033256920 557329394 /nfs/dbraw/zinc/32/93/94/557329394.db2.gz WSBNRQZXUYVWOG-UHFFFAOYSA-N 1 0 437.953 2.515 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 ZINC000024833921 557334042 /nfs/dbraw/zinc/33/40/42/557334042.db2.gz WUHSYHAIJUXOGS-QZTJIDSGSA-N 1 0 435.524 2.712 50 0 IFAARO Cc1ccc(CN2C[C@H](C(=O)NCCC[N@H+]3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 ZINC000105771239 557510391 /nfs/dbraw/zinc/51/03/91/557510391.db2.gz QIUQNOZTESHRCK-RPBOFIJWSA-N 1 0 448.611 2.839 50 0 IFAARO COc1ccc(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c(OC)c1OC ZINC000012031157 557524209 /nfs/dbraw/zinc/52/42/09/557524209.db2.gz DFYGTXJEPVAMHL-XMMPIXPASA-N 1 0 430.545 2.876 50 0 IFAARO Cc1cc(C(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000106922470 557533390 /nfs/dbraw/zinc/53/33/90/557533390.db2.gz JHOHVSDHIQXHKH-FGZHOGPDSA-N 1 0 443.613 2.854 50 0 IFAARO CN1CC[C@H]([NH2+]CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000225845725 557784689 /nfs/dbraw/zinc/78/46/89/557784689.db2.gz HANQKENKIZAUFV-JTHBVZDNSA-N 1 0 438.597 2.849 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@@H](C)O1 ZINC000228539586 557830629 /nfs/dbraw/zinc/83/06/29/557830629.db2.gz XIPZRANJHIAQPA-JBYIUTFZSA-N 1 0 439.556 2.766 50 0 IFAARO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCC[NH+]3CCCC3)c(C)o2)cc1OC ZINC000004079705 562941612 /nfs/dbraw/zinc/94/16/12/562941612.db2.gz HTZDZRCLILGQEB-WJOKGBTCSA-N 1 0 449.573 2.518 50 0 IFAARO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000004142215 562942278 /nfs/dbraw/zinc/94/22/78/562942278.db2.gz FPYOCDCVLMFZKN-UHFFFAOYSA-N 1 0 439.581 2.929 50 0 IFAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000008952763 562966321 /nfs/dbraw/zinc/96/63/21/562966321.db2.gz CDSUCECIBOHFJN-UZLBHIALSA-N 1 0 448.633 2.572 50 0 IFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009952664 562977814 /nfs/dbraw/zinc/97/78/14/562977814.db2.gz DHFLICDFCIPIQU-SFHVURJKSA-N 1 0 437.562 2.557 50 0 IFAARO Cn1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nc2sc3c(c2c1=O)CCC3 ZINC000012951060 562983668 /nfs/dbraw/zinc/98/36/68/562983668.db2.gz IQXVPCMPQCYJEL-INIZCTEOSA-N 1 0 442.610 2.995 50 0 IFAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1 ZINC000014977506 563017133 /nfs/dbraw/zinc/01/71/33/563017133.db2.gz SAYKQCUGAHFYRQ-XMMPIXPASA-N 1 0 435.568 2.552 50 0 IFAARO O[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000023338445 563027143 /nfs/dbraw/zinc/02/71/43/563027143.db2.gz CWCNWYUPYPWGJA-JWQCQUIFSA-N 1 0 435.547 2.769 50 0 IFAARO O[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983281 568623953 /nfs/dbraw/zinc/62/39/53/568623953.db2.gz KANNSZLAUQIRLT-XZOQPEGZSA-N 1 0 427.520 2.514 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 ZINC000106088838 568624722 /nfs/dbraw/zinc/62/47/22/568624722.db2.gz YAOHMCBUQAKYRN-SRGWNRLKSA-N 1 0 426.561 2.501 50 0 IFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC ZINC000015063604 568635234 /nfs/dbraw/zinc/63/52/34/568635234.db2.gz GEWMKPSQRACXPC-QHCPKHFHSA-N 1 0 427.549 2.590 50 0 IFAARO O=C(CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCCC1 ZINC000025217283 568648037 /nfs/dbraw/zinc/64/80/37/568648037.db2.gz DGNKQEKAEDZDKQ-OAQYLSRUSA-N 1 0 434.584 2.786 50 0 IFAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000261492562 568734700 /nfs/dbraw/zinc/73/47/00/568734700.db2.gz ZDSAULLVXYCKQB-UHFFFAOYSA-N 1 0 447.564 2.973 50 0 IFAARO O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1([NH+]2CCCC2)CCCC1 ZINC000299760905 568755690 /nfs/dbraw/zinc/75/56/90/568755690.db2.gz PZRCAOAYHWCKGH-NRFANRHFSA-N 1 0 440.588 2.760 50 0 IFAARO O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1([NH+]2CCCC2)CCCC1 ZINC000299760908 568755700 /nfs/dbraw/zinc/75/57/00/568755700.db2.gz PZRCAOAYHWCKGH-OAQYLSRUSA-N 1 0 440.588 2.760 50 0 IFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000299762099 568755884 /nfs/dbraw/zinc/75/58/84/568755884.db2.gz RHVQUPIUFCVEJG-WIYYLYMNSA-N 1 0 428.554 2.661 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000263585422 568759063 /nfs/dbraw/zinc/75/90/63/568759063.db2.gz IJUXQFRPWFPVRR-JVNMPXIPSA-N 1 0 427.589 2.946 50 0 IFAARO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826475 568783816 /nfs/dbraw/zinc/78/38/16/568783816.db2.gz HEKYEUMFTHYCLP-OAQYLSRUSA-N 1 0 434.584 2.614 50 0 IFAARO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)c(C)c12 ZINC000084005156 568789711 /nfs/dbraw/zinc/78/97/11/568789711.db2.gz VESRJDBCLVKZKO-LJQANCHMSA-N 1 0 427.593 2.782 50 0 IFAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000084243904 568796577 /nfs/dbraw/zinc/79/65/77/568796577.db2.gz RFXHZLVNRWXALW-ONTIZHBOSA-N 1 0 430.618 2.755 50 0 IFAARO Cc1[nH]c(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C(=O)N1CCCC1 ZINC000015733739 568816085 /nfs/dbraw/zinc/81/60/85/568816085.db2.gz FWOPFEPJTJSWLM-UHFFFAOYSA-N 1 0 444.601 2.810 50 0 IFAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)ccc21 ZINC000015784482 568829211 /nfs/dbraw/zinc/82/92/11/568829211.db2.gz FSYFWTYOIPAHKN-HXUWFJFHSA-N 1 0 446.617 2.571 50 0 IFAARO Cc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)c(=O)n1C ZINC000085878622 568838555 /nfs/dbraw/zinc/83/85/55/568838555.db2.gz MZQCAPWRKLKYLO-SIKLNZKXSA-N 1 0 436.556 2.940 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1N1CC[NH2+]CC1 ZINC000015828240 568841216 /nfs/dbraw/zinc/84/12/16/568841216.db2.gz OJTCCFRODYMOKL-UHFFFAOYSA-N 1 0 436.965 2.690 50 0 IFAARO Cc1ccc2nc(NC(=O)CSC(=S)N3CCN(CC[NH+](C)C)CC3)sc2c1 ZINC000043214978 568843142 /nfs/dbraw/zinc/84/31/42/568843142.db2.gz PORCZUNNPGBSEA-UHFFFAOYSA-N 1 0 437.660 2.741 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1C ZINC000015864259 568849773 /nfs/dbraw/zinc/84/97/73/568849773.db2.gz DRCYORHPAOARDP-NRFANRHFSA-N 1 0 443.613 2.838 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000015956611 568859943 /nfs/dbraw/zinc/85/99/43/568859943.db2.gz HZUZNQSIBXXFOD-FXKZBUDASA-N 1 0 427.570 2.720 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957076 568859971 /nfs/dbraw/zinc/85/99/71/568859971.db2.gz YRMOPAGMKRTMFB-JYEBCORGSA-N 1 0 447.535 2.889 50 0 IFAARO CSCC[C@H]1[NH2+][C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967976 568861329 /nfs/dbraw/zinc/86/13/29/568861329.db2.gz BDYLUWBKBGWIEL-HSGJQSDISA-N 1 0 449.576 2.711 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015969989 568861552 /nfs/dbraw/zinc/86/15/52/568861552.db2.gz WNYSZEZUHUALTK-CQAGSAPUSA-N 1 0 442.519 2.931 50 0 IFAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000239306064 568911132 /nfs/dbraw/zinc/91/11/32/568911132.db2.gz GJOLZHRPGPDNFT-HKUYNNGSSA-N 1 0 433.599 2.807 50 0 IFAARO Cc1cc(C(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000241124354 568912133 /nfs/dbraw/zinc/91/21/33/568912133.db2.gz JHOHVSDHIQXHKH-YADHBBJMSA-N 1 0 443.613 2.854 50 0 IFAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]CCO)cc21 ZINC000001889553 568917552 /nfs/dbraw/zinc/91/75/52/568917552.db2.gz XCWISVDRIBSOGX-LJQANCHMSA-N 1 0 426.513 2.746 50 0 IFAARO COc1ccc(OCCCN2CC[N@H+](CCCOc3ccc(OC)cc3)CC(O)C2)cc1 ZINC000089453808 568925324 /nfs/dbraw/zinc/92/53/24/568925324.db2.gz CYQNESVFJDMYPE-UHFFFAOYSA-N 1 0 444.572 2.920 50 0 IFAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)CC1 ZINC000016689909 568938362 /nfs/dbraw/zinc/93/83/62/568938362.db2.gz ITBORXPUSPDEFQ-UHFFFAOYSA-N 1 0 448.493 2.600 50 0 IFAARO C[NH+](C)CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611667 568941443 /nfs/dbraw/zinc/94/14/43/568941443.db2.gz OXDVCDMQIFOEOH-INIZCTEOSA-N 1 0 425.558 2.546 50 0 IFAARO COCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000006695500 568952393 /nfs/dbraw/zinc/95/23/93/568952393.db2.gz AVCPCZRXDYYXJQ-UHFFFAOYSA-N 1 0 429.590 2.807 50 0 IFAARO COc1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1 ZINC000064836055 568969200 /nfs/dbraw/zinc/96/92/00/568969200.db2.gz CMUOHNSZPWFTMV-UHFFFAOYSA-N 1 0 443.507 2.852 50 0 IFAARO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000064839367 568969597 /nfs/dbraw/zinc/96/95/97/568969597.db2.gz BOEYMSUZMRJNHY-HXUWFJFHSA-N 1 0 443.551 2.835 50 0 IFAARO CCc1nn(CC(=O)NCC[N@H+](C)C2CCCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000006749453 568972267 /nfs/dbraw/zinc/97/22/67/568972267.db2.gz OROYLFBIFCWAPC-UHFFFAOYSA-N 1 0 429.590 2.962 50 0 IFAARO COc1cc(NC(=O)N2CCC(CC(=O)NCC[NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000064846832 568972271 /nfs/dbraw/zinc/97/22/71/568972271.db2.gz AXTQHPPBAKNCNW-UHFFFAOYSA-N 1 0 448.564 2.558 50 0 IFAARO CCOC(=O)c1c(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1C ZINC000064863300 568975310 /nfs/dbraw/zinc/97/53/10/568975310.db2.gz OWZWKIPBNIAMSC-UHFFFAOYSA-N 1 0 433.574 2.762 50 0 IFAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)c(C)n1C ZINC000064923223 568986213 /nfs/dbraw/zinc/98/62/13/568986213.db2.gz OWGBQIZTVXLDQY-UHFFFAOYSA-N 1 0 447.601 2.927 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COC ZINC000036309974 568996389 /nfs/dbraw/zinc/99/63/89/568996389.db2.gz JQDYTOHLOJDEGP-QUCCMNQESA-N 1 0 432.586 2.891 50 0 IFAARO CCn1c2c(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966200 569001127 /nfs/dbraw/zinc/00/11/27/569001127.db2.gz XXERSKYYCRFZRT-UHFFFAOYSA-N 1 0 434.544 2.650 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCC[N@H+]1CCCC[C@H]1C)c2=O ZINC000064970746 569076347 /nfs/dbraw/zinc/07/63/47/569076347.db2.gz XRQZYIDYSCXCNU-QGZVFWFLSA-N 1 0 436.560 2.580 50 0 IFAARO CC(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21c2ccccc2N(C)C1=O ZINC000169712790 569082101 /nfs/dbraw/zinc/08/21/01/569082101.db2.gz LEKAGIYBNROEHO-IYCJUYGXSA-N 1 0 442.519 2.564 50 0 IFAARO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036390161 569096507 /nfs/dbraw/zinc/09/65/07/569096507.db2.gz QSWNRXUFUBCOEN-NHCUHLMSSA-N 1 0 433.508 2.848 50 0 IFAARO CCC[NH+]1CCN(C(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062206 569097030 /nfs/dbraw/zinc/09/70/30/569097030.db2.gz JXUPTVDDDNUDCZ-OAHLLOKOSA-N 1 0 448.054 2.993 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(Cl)cc2)cc1 ZINC000065074670 569098956 /nfs/dbraw/zinc/09/89/56/569098956.db2.gz CQLHTNMCWOTYMN-UHFFFAOYSA-N 1 0 447.004 2.963 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)CC1 ZINC000065153913 569112189 /nfs/dbraw/zinc/11/21/89/569112189.db2.gz XRCZKLAOJAKLDS-UHFFFAOYSA-N 1 0 430.556 2.881 50 0 IFAARO COc1cc(=O)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccc(C)cc1 ZINC000065197859 569114969 /nfs/dbraw/zinc/11/49/69/569114969.db2.gz JEVVNAZQKIBMCX-UHFFFAOYSA-N 1 0 432.524 2.944 50 0 IFAARO O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065202367 569115987 /nfs/dbraw/zinc/11/59/87/569115987.db2.gz VZBAMOBESQTRBC-UHFFFAOYSA-N 1 0 441.535 2.968 50 0 IFAARO O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065212006 569117170 /nfs/dbraw/zinc/11/71/70/569117170.db2.gz URRVRXZLXJOCQS-UHFFFAOYSA-N 1 0 433.556 2.654 50 0 IFAARO O=C(c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1)N1CCN(c2ccccn2)CC1 ZINC000065256057 569123157 /nfs/dbraw/zinc/12/31/57/569123157.db2.gz PWTYUQJKJAWEAA-JOCHJYFZSA-N 1 0 428.540 2.590 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256332 569123368 /nfs/dbraw/zinc/12/33/68/569123368.db2.gz GVZFWOSEHCEQBO-OAQYLSRUSA-N 1 0 437.544 2.583 50 0 IFAARO COc1cccc(Cn2c3cc(C(=O)NC4CC[NH+](C)CC4)ccc3n3nccc3c2=O)c1 ZINC000065270935 569127609 /nfs/dbraw/zinc/12/76/09/569127609.db2.gz GXWYHKMBBFVLFF-UHFFFAOYSA-N 1 0 445.523 2.530 50 0 IFAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311520 569133733 /nfs/dbraw/zinc/13/37/33/569133733.db2.gz PBKVRJBZQISVPL-UHFFFAOYSA-N 1 0 437.588 2.500 50 0 IFAARO CCOCCO[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000170608597 569144929 /nfs/dbraw/zinc/14/49/29/569144929.db2.gz XKNYOWAZJFBOPO-OAHLLOKOSA-N 1 0 428.371 2.577 50 0 IFAARO CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000170616782 569146704 /nfs/dbraw/zinc/14/67/04/569146704.db2.gz PXCWTDLZWXMPBO-QGZVFWFLSA-N 1 0 439.503 2.948 50 0 IFAARO CCC(=O)N1CCC[C@H](C(=O)OCCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000170617216 569147119 /nfs/dbraw/zinc/14/71/19/569147119.db2.gz CHQXKIUMEGESFI-SFHVURJKSA-N 1 0 425.570 2.511 50 0 IFAARO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000010025207 569151489 /nfs/dbraw/zinc/15/14/89/569151489.db2.gz PNDFZYAZNJWHEM-QFIPXVFZSA-N 1 0 425.554 2.879 50 0 IFAARO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000014247126 569158414 /nfs/dbraw/zinc/15/84/14/569158414.db2.gz XTPXRBZSYQDRCN-UHFFFAOYSA-N 1 0 426.487 2.931 50 0 IFAARO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cn1cnc2ccccc2c1=O ZINC000089702559 569161940 /nfs/dbraw/zinc/16/19/40/569161940.db2.gz DDGMLLXIXKJXSK-FQEVSTJZSA-N 1 0 442.523 2.987 50 0 IFAARO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000089895894 569166788 /nfs/dbraw/zinc/16/67/88/569166788.db2.gz FPRXXWSABVUMEK-GHTZIAJQSA-N 1 0 443.613 2.640 50 0 IFAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000017012302 569170435 /nfs/dbraw/zinc/17/04/35/569170435.db2.gz MGGFBPGIAUOQEM-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO COc1ccccc1-c1nc(N2CC[NH+](C)CC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037359281 569176983 /nfs/dbraw/zinc/17/69/83/569176983.db2.gz XNJBQRNBDIXBSS-UHFFFAOYSA-N 1 0 433.491 2.964 50 0 IFAARO COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+](C)C)CC(=O)N32)c1 ZINC000002157425 569187573 /nfs/dbraw/zinc/18/75/73/569187573.db2.gz QKRMGQWGVIDUHD-DHLKQENFSA-N 1 0 446.551 2.813 50 0 IFAARO COc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 ZINC000170649072 569189480 /nfs/dbraw/zinc/18/94/80/569189480.db2.gz LNZLVOYNVBVUTI-UHFFFAOYSA-N 1 0 437.540 2.982 50 0 IFAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000170676629 569195342 /nfs/dbraw/zinc/19/53/42/569195342.db2.gz CXYNONVFACWLAY-ZDUSSCGKSA-N 1 0 429.464 2.760 50 0 IFAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4nn(C)c5ccccc54)CC3)C2)CC1 ZINC000581819723 569211369 /nfs/dbraw/zinc/21/13/69/569211369.db2.gz FANRWGQETQWFIX-HXUWFJFHSA-N 1 0 439.604 2.753 50 0 IFAARO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819715 569211432 /nfs/dbraw/zinc/21/14/32/569211432.db2.gz DGUNLBGJGCZOLS-QHCPKHFHSA-N 1 0 434.584 2.987 50 0 IFAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820191 569211732 /nfs/dbraw/zinc/21/17/32/569211732.db2.gz XHYRVGUUVBWEFA-QFIPXVFZSA-N 1 0 429.605 2.879 50 0 IFAARO COc1ccccc1CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000253413714 569266182 /nfs/dbraw/zinc/26/61/82/569266182.db2.gz VNFOMMRINDCVPS-FDFHNCONSA-N 1 0 427.589 2.809 50 0 IFAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000013039928 569308012 /nfs/dbraw/zinc/30/80/12/569308012.db2.gz HKQWSTXFVOWWOD-CYBMUJFWSA-N 1 0 425.938 2.888 50 0 IFAARO C[NH+](C)CCn1cc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cn1 ZINC000078928001 569320223 /nfs/dbraw/zinc/32/02/23/569320223.db2.gz NPSZEOSHMLATFR-RUZDIDTESA-N 1 0 427.368 2.734 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000078964444 569320655 /nfs/dbraw/zinc/32/06/55/569320655.db2.gz ZNDUTHIETMUSTK-NRFANRHFSA-N 1 0 441.620 2.679 50 0 IFAARO O=C1CCc2cc(S(=O)(=O)NC3CC[NH+](CCOc4ccc(F)cc4)CC3)ccc2N1 ZINC000079062420 569324183 /nfs/dbraw/zinc/32/41/83/569324183.db2.gz FKOBHZRSXGRIBQ-UHFFFAOYSA-N 1 0 447.532 2.532 50 0 IFAARO COC(=O)[C@]1(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071260 569324536 /nfs/dbraw/zinc/32/45/36/569324536.db2.gz JTHAMERIJLCMFD-SANMLTNESA-N 1 0 449.551 2.680 50 0 IFAARO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)Cc3ccc(O)cc3)CC2)c(F)c1 ZINC000079099702 569325532 /nfs/dbraw/zinc/32/55/32/569325532.db2.gz HTXLSOHVOMAEKB-QGZVFWFLSA-N 1 0 427.520 2.946 50 0 IFAARO O=c1oc2cc(OC[C@H](O)CN3CC[NH+](Cc4ccccc4)CC3)ccc2c2c1CCC2 ZINC000019912351 569331921 /nfs/dbraw/zinc/33/19/21/569331921.db2.gz XARXGOHNADHJFA-HXUWFJFHSA-N 1 0 434.536 2.839 50 0 IFAARO CCOCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020136322 569335874 /nfs/dbraw/zinc/33/58/74/569335874.db2.gz BKXVJDBUMKXUBM-UHFFFAOYSA-N 1 0 441.576 2.557 50 0 IFAARO CN1C(=O)C[C@H](C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000095441797 569366710 /nfs/dbraw/zinc/36/67/10/569366710.db2.gz LQQQNNHDHNHXBN-FPOVZHCZSA-N 1 0 433.980 2.820 50 0 IFAARO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466516 569370923 /nfs/dbraw/zinc/37/09/23/569370923.db2.gz FXRJAIMDHMSBDZ-PZJWPPBQSA-N 1 0 427.570 2.640 50 0 IFAARO O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095478476 569373539 /nfs/dbraw/zinc/37/35/39/569373539.db2.gz UJEFBOAZDKUKRL-JOCHJYFZSA-N 1 0 434.540 2.525 50 0 IFAARO Cc1ccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000095481686 569374052 /nfs/dbraw/zinc/37/40/52/569374052.db2.gz BUVMYZLYFKMNPE-UHFFFAOYSA-N 1 0 431.558 2.873 50 0 IFAARO C[N@H+](CCCO)C1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CC1 ZINC000095976278 569377633 /nfs/dbraw/zinc/37/76/33/569377633.db2.gz OJJVFUQOPPFQQV-UHFFFAOYSA-N 1 0 443.519 2.762 50 0 IFAARO CC(C)COC(=O)N1CCCN([C@@H](C)C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC000095977352 569377792 /nfs/dbraw/zinc/37/77/92/569377792.db2.gz SYNNDJRAAMWDLH-NRFANRHFSA-N 1 0 440.629 2.976 50 0 IFAARO COc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095995539 569378607 /nfs/dbraw/zinc/37/86/07/569378607.db2.gz KCPRRVLWHNIZOH-DLBZAZTESA-N 1 0 441.594 2.599 50 0 IFAARO O=C(Nc1c[nH+]ccc1N1CCOCC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000096011101 569379736 /nfs/dbraw/zinc/37/97/36/569379736.db2.gz HSQYLAVLKUUAEM-AWEZNQCLSA-N 1 0 445.317 2.672 50 0 IFAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000096011737 569379896 /nfs/dbraw/zinc/37/98/96/569379896.db2.gz BGSKLVSNAOEQGL-XPWALMASSA-N 1 0 427.589 2.688 50 0 IFAARO COc1ccc(CCC(=O)NCc2nn(CC[NH+]3CCCC3)c(=O)c3ccccc23)cc1 ZINC000096024226 569380499 /nfs/dbraw/zinc/38/04/99/569380499.db2.gz PXKAPWMBQGHIFG-UHFFFAOYSA-N 1 0 434.540 2.750 50 0 IFAARO COc1ccc(C[NH+]2CCC(NC(=O)CCCc3nnc4ccccn43)CC2)cc1OC ZINC000096118167 569384406 /nfs/dbraw/zinc/38/44/06/569384406.db2.gz BPCFWKLLLCSZSC-UHFFFAOYSA-N 1 0 437.544 2.850 50 0 IFAARO C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000096256432 569387998 /nfs/dbraw/zinc/38/79/98/569387998.db2.gz KCGHMMOJZYXEQA-WZSLUPJVSA-N 1 0 445.541 2.829 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc21 ZINC000002942991 569426764 /nfs/dbraw/zinc/42/67/64/569426764.db2.gz BHMICYNVLYLXHX-INIZCTEOSA-N 1 0 436.512 2.617 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000057111347 569429625 /nfs/dbraw/zinc/42/96/25/569429625.db2.gz JKEKAYBVKOGFEB-QSXKMRPSSA-N 1 0 445.903 2.502 50 0 IFAARO CCn1nnnc1SCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057315402 569430920 /nfs/dbraw/zinc/43/09/20/569430920.db2.gz OSZAALDHZYTANF-UHFFFAOYSA-N 1 0 437.573 2.746 50 0 IFAARO Cc1ccc(CN2C[C@@H](C(=O)NCCC[N@H+]3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 ZINC000230154394 569439636 /nfs/dbraw/zinc/43/96/36/569439636.db2.gz QIUQNOZTESHRCK-DQEYMECFSA-N 1 0 448.611 2.839 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000058144049 569448769 /nfs/dbraw/zinc/44/87/69/569448769.db2.gz VDHBIFFCUGKQIW-HOZJOUCCSA-N 1 0 426.561 2.501 50 0 IFAARO COc1cc(N2C[C@H](C(=O)Nc3ccccc3C[NH+](C)C)CC2=O)cc(OC)c1OC ZINC000031231352 569455077 /nfs/dbraw/zinc/45/50/77/569455077.db2.gz PAIGPAPPAZBQAU-MRXNPFEDSA-N 1 0 427.501 2.766 50 0 IFAARO Cc1ncc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c(-c2ccccc2)n1 ZINC000670455615 569458142 /nfs/dbraw/zinc/45/81/42/569458142.db2.gz SHTPSZHKLBANIM-PYLWXJQRSA-N 1 0 439.563 2.749 50 0 IFAARO Cc1ccc(-c2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)[nH]n2)cc1 ZINC000670458625 569459954 /nfs/dbraw/zinc/45/99/54/569459954.db2.gz FDYNUICYLLLGJG-REXMIWGRSA-N 1 0 427.552 2.683 50 0 IFAARO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204796 569464525 /nfs/dbraw/zinc/46/45/25/569464525.db2.gz LFRBBDOFJDMYLL-OAQYLSRUSA-N 1 0 430.524 2.557 50 0 IFAARO Cc1c(C)n(-c2ccc(C)cc2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000008708349 569470683 /nfs/dbraw/zinc/47/06/83/569470683.db2.gz IVFXVTAERCHNSK-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000008724372 569472020 /nfs/dbraw/zinc/47/20/20/569472020.db2.gz PKOCWSZDPQNWOM-QFIPXVFZSA-N 1 0 443.569 2.584 50 0 IFAARO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000040017879 569482651 /nfs/dbraw/zinc/48/26/51/569482651.db2.gz OYBAKLFFMGJPGL-QGZVFWFLSA-N 1 0 427.570 2.566 50 0 IFAARO COc1cc(CC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc(OC)c1OC ZINC000040081455 569486616 /nfs/dbraw/zinc/48/66/16/569486616.db2.gz PNCZHLLDQZLJAI-NRFANRHFSA-N 1 0 441.572 2.750 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H](C)O1 ZINC000040086630 569486757 /nfs/dbraw/zinc/48/67/57/569486757.db2.gz MEBYILFTARBJIG-BZUAXINKSA-N 1 0 427.467 2.674 50 0 IFAARO CCc1c(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)cnn1-c1ccc(OC)nn1 ZINC000040089150 569487029 /nfs/dbraw/zinc/48/70/29/569487029.db2.gz MCYLWHYGYXFRHC-UHFFFAOYSA-N 1 0 426.546 2.643 50 0 IFAARO CCc1nn(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000008964953 569491238 /nfs/dbraw/zinc/49/12/38/569491238.db2.gz LGNUUMAGOHBFER-UHFFFAOYSA-N 1 0 433.512 2.585 50 0 IFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(OC)c(OC)c2)N(CC[NH+](C)C)C1=O ZINC000009302725 569520905 /nfs/dbraw/zinc/52/09/05/569520905.db2.gz ZUBLKCODVOFPPL-OAQYLSRUSA-N 1 0 438.480 2.926 50 0 IFAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)CC1 ZINC000009424834 569533127 /nfs/dbraw/zinc/53/31/27/569533127.db2.gz SMYBYHQQJHPMKL-UHFFFAOYSA-N 1 0 431.489 2.567 50 0 IFAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCC(C(=O)OCC)CC1 ZINC000009428420 569533574 /nfs/dbraw/zinc/53/35/74/569533574.db2.gz GZVZYOMJIFBCAG-UHFFFAOYSA-N 1 0 445.516 2.957 50 0 IFAARO CCOC(=O)c1sc2c(c1C)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CC[NH+](C)C ZINC000009435760 569534887 /nfs/dbraw/zinc/53/48/87/569534887.db2.gz QPHOFCDRWTXORL-UHFFFAOYSA-N 1 0 435.933 2.914 50 0 IFAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009528403 569544694 /nfs/dbraw/zinc/54/46/94/569544694.db2.gz ZUAMXSYPLBZUQP-FQEVSTJZSA-N 1 0 435.615 2.832 50 0 IFAARO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000009594585 569550593 /nfs/dbraw/zinc/55/05/93/569550593.db2.gz JAOAWJZFGORPHN-UHFFFAOYSA-N 1 0 447.576 2.967 50 0 IFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C[C@H]3Oc4ccccc4NC3=O)CC2)c1 ZINC000009833589 569570425 /nfs/dbraw/zinc/57/04/25/569570425.db2.gz WEKXPFOQYUFSOH-HSZRJFAPSA-N 1 0 436.556 2.722 50 0 IFAARO Cn1nc(C2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)n(-c2ccccc2)c1=O ZINC000077100648 569585419 /nfs/dbraw/zinc/58/54/19/569585419.db2.gz KZCZJAQWSFSVQU-UHFFFAOYSA-N 1 0 431.540 2.730 50 0 IFAARO Cn1cc([C@@H](CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)[NH+](C)C)c2ccccc21 ZINC000077171699 569585829 /nfs/dbraw/zinc/58/58/29/569585829.db2.gz MNAPXXTXTFOQJH-JOCHJYFZSA-N 1 0 447.539 2.663 50 0 IFAARO C[NH+](C)CCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000002293775 132251449 /nfs/dbraw/zinc/25/14/49/132251449.db2.gz BEPMRQJETDVBMK-UHFFFAOYSA-N 1 0 427.578 2.714 50 0 IFAARO CC(C)C(=O)Nc1cccc(N2CC[NH+](CCCN3C(=O)[C@@H]4CCCCN4C3=O)CC2)c1 ZINC000008399026 132281515 /nfs/dbraw/zinc/28/15/15/132281515.db2.gz IKCQRAAEOYJOJX-NRFANRHFSA-N 1 0 441.576 2.610 50 0 IFAARO CCCCOc1ccccc1N1CC[NH+](CCCN2CC(=O)N3CCCC[C@H]3C2=O)CC1 ZINC000008399030 132281527 /nfs/dbraw/zinc/28/15/27/132281527.db2.gz DVRNXWWEJYCBOC-QFIPXVFZSA-N 1 0 442.604 2.601 50 0 IFAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009060060 132301562 /nfs/dbraw/zinc/30/15/62/132301562.db2.gz PCFACPKRLGURBI-NRFANRHFSA-N 1 0 447.587 2.988 50 0 IFAARO Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000009429845 132316928 /nfs/dbraw/zinc/31/69/28/132316928.db2.gz NOBTYRDASGWFRV-UHFFFAOYSA-N 1 0 437.573 2.762 50 0 IFAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000009620970 132323821 /nfs/dbraw/zinc/32/38/21/132323821.db2.gz NXAMOAQDZOWJIY-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]C[C@@H]3COCCO3)CC2)cc1 ZINC000011790783 132339978 /nfs/dbraw/zinc/33/99/78/132339978.db2.gz HHLBYXRBGPNJAB-HSZRJFAPSA-N 1 0 425.529 2.678 50 0 IFAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000022107992 518737326 /nfs/dbraw/zinc/73/73/26/518737326.db2.gz UYZGSJBOIMVUTH-UHFFFAOYSA-N 1 0 440.573 2.838 50 0 IFAARO CC(C)[NH+](CCn1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O)C(C)C ZINC000012622534 519651280 /nfs/dbraw/zinc/65/12/80/519651280.db2.gz OXBWCWIAMZOJSU-UHFFFAOYSA-N 1 0 430.574 2.756 50 0 IFAARO CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2C1=O ZINC000012612594 519653277 /nfs/dbraw/zinc/65/32/77/519653277.db2.gz ASSIVLRMIMQTBT-UHFFFAOYSA-N 1 0 435.528 2.728 50 0 IFAARO CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)CC1 ZINC000022913868 519670242 /nfs/dbraw/zinc/67/02/42/519670242.db2.gz RDFIFFDQLWHNHH-QHCPKHFHSA-N 1 0 429.584 2.957 50 0 IFAARO CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000035421958 519762271 /nfs/dbraw/zinc/76/22/71/519762271.db2.gz IJVXMBOHGDEKPN-UHFFFAOYSA-N 1 0 440.382 2.528 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 ZINC000020489116 519857946 /nfs/dbraw/zinc/85/79/46/519857946.db2.gz WBGNLGZHFAIADJ-UHFFFAOYSA-N 1 0 445.633 2.640 50 0 IFAARO CCC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538898 519857998 /nfs/dbraw/zinc/85/79/98/519857998.db2.gz UQPZLHNNEGCFEJ-UHFFFAOYSA-N 1 0 442.633 2.565 50 0 IFAARO CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3cccc(OC)c3)s2)CC1 ZINC000021535387 519861038 /nfs/dbraw/zinc/86/10/38/519861038.db2.gz MLJFBGSABAZNFC-UHFFFAOYSA-N 1 0 440.573 2.799 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991002 520514836 /nfs/dbraw/zinc/51/48/36/520514836.db2.gz VNQDDYLVBBHPQG-GOSISDBHSA-N 1 0 441.359 2.754 50 0 IFAARO CCOC(=O)CCC[N@H+](CCCOC)CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1 ZINC000035843549 520637962 /nfs/dbraw/zinc/63/79/62/520637962.db2.gz SNEPSJSCTZSMCY-JOCHJYFZSA-N 1 0 438.590 2.951 50 0 IFAARO CC[NH+](CC)CCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937422 520670621 /nfs/dbraw/zinc/67/06/21/520670621.db2.gz JJHWBLFQCNNVOM-UHFFFAOYSA-N 1 0 434.606 2.664 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[NH+](CC)CC)C3)ccc21 ZINC000021937943 520678758 /nfs/dbraw/zinc/67/87/58/520678758.db2.gz FXZQKDZJJVMQLR-LJQANCHMSA-N 1 0 434.606 2.520 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C ZINC000012127601 520685600 /nfs/dbraw/zinc/68/56/00/520685600.db2.gz QWGBPJHJVOJJQB-UHFFFAOYSA-N 1 0 434.544 2.817 50 0 IFAARO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)CC)c1 ZINC000058183230 520755086 /nfs/dbraw/zinc/75/50/86/520755086.db2.gz PPMVFEMMWLYHKG-QHCPKHFHSA-N 1 0 443.613 2.921 50 0 IFAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCC(=O)N1CCCCC1 ZINC000012520566 520785603 /nfs/dbraw/zinc/78/56/03/520785603.db2.gz SFGIOOYSTWYZJN-QFIPXVFZSA-N 1 0 448.527 2.923 50 0 IFAARO CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)C[NH2+]CCc1ccccc1 ZINC000012528930 521387199 /nfs/dbraw/zinc/38/71/99/521387199.db2.gz VSIAQFFIETVQAM-UHFFFAOYSA-N 1 0 448.541 2.807 50 0 IFAARO CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000020467804 521496796 /nfs/dbraw/zinc/49/67/96/521496796.db2.gz FHXCGQSEVAZWFP-UHFFFAOYSA-N 1 0 430.530 2.856 50 0 IFAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000012925578 521569302 /nfs/dbraw/zinc/56/93/02/521569302.db2.gz KQMFSHFSHBZWTF-UHFFFAOYSA-N 1 0 447.523 2.707 50 0 IFAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 ZINC000012918898 521570987 /nfs/dbraw/zinc/57/09/87/521570987.db2.gz GNJOZJJTJQDRFV-UHFFFAOYSA-N 1 0 435.634 2.921 50 0 IFAARO CCC(CC)[C@@H](CNC(=O)Cn1c(=S)[nH]nc1-c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000012764572 521603138 /nfs/dbraw/zinc/60/31/38/521603138.db2.gz JTKAAHWOJNTCTN-LJQANCHMSA-N 1 0 447.605 2.869 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538882 521680115 /nfs/dbraw/zinc/68/01/15/521680115.db2.gz ZRLIVWBWMYOTEP-UHFFFAOYSA-N 1 0 442.633 2.565 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3Cl)o2)CC1 ZINC000020514714 521681615 /nfs/dbraw/zinc/68/16/15/521681615.db2.gz HJNIJTOQLROGPR-LJAQVGFWSA-N 1 0 437.993 2.998 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000012746147 522069401 /nfs/dbraw/zinc/06/94/01/522069401.db2.gz ZLMOVGIPZNKOKB-GOSISDBHSA-N 1 0 439.578 2.707 50 0 IFAARO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012750599 522372667 /nfs/dbraw/zinc/37/26/67/522372667.db2.gz PFKNGVKVHKVLES-QHCPKHFHSA-N 1 0 447.620 2.755 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1C ZINC000040744535 522450568 /nfs/dbraw/zinc/45/05/68/522450568.db2.gz YAESVMYEIRRPRG-UHFFFAOYSA-N 1 0 445.907 2.721 50 0 IFAARO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012091998 522463925 /nfs/dbraw/zinc/46/39/25/522463925.db2.gz ZHBNVPYDFRFDCD-GOSISDBHSA-N 1 0 435.590 2.885 50 0 IFAARO COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012706943 522464583 /nfs/dbraw/zinc/46/45/83/522464583.db2.gz CAAQCHRDIVXRPM-INIZCTEOSA-N 1 0 426.966 2.772 50 0 IFAARO COC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012836917 522695217 /nfs/dbraw/zinc/69/52/17/522695217.db2.gz QLQANPYXJIXHLC-DEOSSOPVSA-N 1 0 435.568 2.646 50 0 IFAARO COC(=O)CC(=O)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000034697694 522921117 /nfs/dbraw/zinc/92/11/17/522921117.db2.gz HSMCYPGVCAFSLR-REWPJTCUSA-N 1 0 439.531 2.753 50 0 IFAARO CCn1c(C(=O)NCC[N@H+](C)C2CCCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561306 523116372 /nfs/dbraw/zinc/11/63/72/523116372.db2.gz BXYAUHVNWKLYAB-UHFFFAOYSA-N 1 0 434.606 2.906 50 0 IFAARO COCC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000035840687 523758138 /nfs/dbraw/zinc/75/81/38/523758138.db2.gz QLEWFDMMXUTFMH-VWLOTQADSA-N 1 0 443.632 2.975 50 0 IFAARO CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2cccc(C(=O)NCCOC)c2)n1 ZINC000036038483 523795725 /nfs/dbraw/zinc/79/57/25/523795725.db2.gz YCOWPOBTJPHNOM-UHFFFAOYSA-N 1 0 443.617 2.849 50 0 IFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CCCc1ccccc1)CC2 ZINC000014530302 523804285 /nfs/dbraw/zinc/80/42/85/523804285.db2.gz MWIHIJCQQKMMEV-UHFFFAOYSA-N 1 0 436.556 2.960 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccc2-n2cccn2)CC1 ZINC000012755653 523812914 /nfs/dbraw/zinc/81/29/14/523812914.db2.gz PHCSUPWJKGBPPR-OAQYLSRUSA-N 1 0 426.561 2.852 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000012300835 523813196 /nfs/dbraw/zinc/81/31/96/523813196.db2.gz BXIBTQLGEJAVOX-QFIPXVFZSA-N 1 0 434.577 2.612 50 0 IFAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000012282451 523839777 /nfs/dbraw/zinc/83/97/77/523839777.db2.gz FOUDMGDPYKSYQY-GOSISDBHSA-N 1 0 428.577 2.565 50 0 IFAARO CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022916649 524006599 /nfs/dbraw/zinc/00/65/99/524006599.db2.gz SQILLQOPDSGXSC-QFIPXVFZSA-N 1 0 442.556 2.552 50 0 IFAARO COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012304377 524008283 /nfs/dbraw/zinc/00/82/83/524008283.db2.gz PYXXSYLPQHYICC-QHCPKHFHSA-N 1 0 438.572 2.932 50 0 IFAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCCSc2nnnn2C)cc1 ZINC000040744715 525070865 /nfs/dbraw/zinc/07/08/65/525070865.db2.gz JSLFXMIKBLLIPU-UHFFFAOYSA-N 1 0 426.546 2.808 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000012597502 525135184 /nfs/dbraw/zinc/13/51/84/525135184.db2.gz WTAAKNYQSGDSDQ-JOCHJYFZSA-N 1 0 438.572 2.622 50 0 IFAARO COc1ccc([C@@H]2NC3=NCN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000012323981 525267300 /nfs/dbraw/zinc/26/73/00/525267300.db2.gz RTAJDJBXXLJCGB-JOCHJYFZSA-N 1 0 449.559 2.548 50 0 IFAARO Cc1ccccc1[C@@]1(CC(=O)N(C)C2CC[NH+](C)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247721 525396943 /nfs/dbraw/zinc/39/69/43/525396943.db2.gz AOAPGZIYAHZHRA-AREMUKBSSA-N 1 0 448.567 2.530 50 0 IFAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CC[NH+](C)C)C3=O ZINC000021856248 525643001 /nfs/dbraw/zinc/64/30/01/525643001.db2.gz UTWCCKSBFAMHJF-DEOSSOPVSA-N 1 0 426.561 2.875 50 0 IFAARO Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2=O ZINC000022462427 526140375 /nfs/dbraw/zinc/14/03/75/526140375.db2.gz KUMROPAFERLPQU-UHFFFAOYSA-N 1 0 427.545 2.523 50 0 IFAARO O=C(c1cc2n(n1)CCN(Cc1ccc(F)cc1)C2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000034830727 526643570 /nfs/dbraw/zinc/64/35/70/526643570.db2.gz YLFSMLWVPPJNEO-UHFFFAOYSA-N 1 0 439.535 2.769 50 0 IFAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4cccc(OCCO)c4)CC3)O2)cs1 ZINC000014879528 526649136 /nfs/dbraw/zinc/64/91/36/526649136.db2.gz JLBAFJTVMLMLDP-FQEVSTJZSA-N 1 0 445.585 2.766 50 0 IFAARO O=C(c1ccc(N2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)cc1)N1CCOCC1 ZINC000012246994 526698117 /nfs/dbraw/zinc/69/81/17/526698117.db2.gz QGCAHFFKGYZLNU-JOCHJYFZSA-N 1 0 437.540 2.557 50 0 IFAARO O=C(NCc1ccccc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020541082 526733912 /nfs/dbraw/zinc/73/39/12/526733912.db2.gz HWNJYVTUMNCCIU-QFIPXVFZSA-N 1 0 436.556 2.907 50 0 IFAARO O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012314006 526945659 /nfs/dbraw/zinc/94/56/59/526945659.db2.gz RQXOKBKZZRFBOP-OAQYLSRUSA-N 1 0 442.581 2.689 50 0 IFAARO O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)NCC[NH+]1CCCC1 ZINC000020565257 527236029 /nfs/dbraw/zinc/23/60/29/527236029.db2.gz PPLXCZUOTSCMDS-UHFFFAOYSA-N 1 0 425.558 2.980 50 0 IFAARO O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000020902646 527351043 /nfs/dbraw/zinc/35/10/43/527351043.db2.gz VYHNQMDBDNLQAC-UHFFFAOYSA-N 1 0 432.499 2.958 50 0 IFAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCCCC1)C2 ZINC000023250374 527540447 /nfs/dbraw/zinc/54/04/47/527540447.db2.gz FLXZMIMCNITNMR-FQEVSTJZSA-N 1 0 443.636 2.528 50 0 IFAARO O[C@@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022916628 527658281 /nfs/dbraw/zinc/65/82/81/527658281.db2.gz OPLJEWIACRGGDY-HXUWFJFHSA-N 1 0 448.947 2.643 50 0 IFAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(OCC)ccc3OCC)CC2)n1 ZINC000009620928 535520311 /nfs/dbraw/zinc/52/03/11/535520311.db2.gz BMVLVLWZLZJZLI-UHFFFAOYSA-N 1 0 449.577 2.525 50 0 IFAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCC2)CC1 ZINC000009469167 535748361 /nfs/dbraw/zinc/74/83/61/535748361.db2.gz VQXFLMPBLOQASM-UHFFFAOYSA-N 1 0 434.606 2.742 50 0 IFAARO CC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677099 555795359 /nfs/dbraw/zinc/79/53/59/555795359.db2.gz PSLRNECIFNXIPL-QGZVFWFLSA-N 1 0 440.466 2.512 50 0 IFAARO CC(C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682314 555816428 /nfs/dbraw/zinc/81/64/28/555816428.db2.gz WGIYNCYLCDMSNZ-NRFANRHFSA-N 1 0 448.514 2.910 50 0 IFAARO COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000034716971 555866741 /nfs/dbraw/zinc/86/67/41/555866741.db2.gz JVIYVYIAMHCSRU-UHFFFAOYSA-N 1 0 446.511 2.527 50 0 IFAARO COCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)C1CCC1 ZINC000034831285 555912325 /nfs/dbraw/zinc/91/23/25/555912325.db2.gz IZRNZCPFIDFOFQ-UHFFFAOYSA-N 1 0 443.567 2.847 50 0 IFAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013736629 556297767 /nfs/dbraw/zinc/29/77/67/556297767.db2.gz WHRKAAPIRFHDPM-UHFFFAOYSA-N 1 0 427.545 2.833 50 0 IFAARO COc1ccc([C@H]2CCCN2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000032751541 556313335 /nfs/dbraw/zinc/31/33/35/556313335.db2.gz LBTXISGRIIOHPD-JOCHJYFZSA-N 1 0 445.604 2.992 50 0 IFAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CCN1CCCCO1 ZINC000011662000 556343609 /nfs/dbraw/zinc/34/36/09/556343609.db2.gz PBZFEWBBSRIHIT-UHFFFAOYSA-N 1 0 433.593 2.800 50 0 IFAARO Cc1nc(CC(C)C)cc(C(=O)N2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)n1 ZINC000011663146 556344294 /nfs/dbraw/zinc/34/42/94/556344294.db2.gz USGGSLGRVVDJRE-UHFFFAOYSA-N 1 0 427.593 2.579 50 0 IFAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCN1CCOC1=O)N1CCCCCCC1 ZINC000011663607 556344767 /nfs/dbraw/zinc/34/47/67/556344767.db2.gz NGQDZTKTALRJCM-UHFFFAOYSA-N 1 0 433.940 2.936 50 0 IFAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[C@H]2NC(=O)NC2=O)C2CCCC2)CC1 ZINC000011759212 556349194 /nfs/dbraw/zinc/34/91/94/556349194.db2.gz ZOJYVCSVUQBUQY-JOCHJYFZSA-N 1 0 440.588 2.619 50 0 IFAARO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 ZINC000011813626 556357176 /nfs/dbraw/zinc/35/71/76/556357176.db2.gz VLRRUWPEHSIUNS-OAHLLOKOSA-N 1 0 448.974 2.648 50 0 IFAARO COc1cc(CNCc2csc(C(C)C)n2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000011840439 556364816 /nfs/dbraw/zinc/36/48/16/556364816.db2.gz DTAQBCWFHQZFJZ-HXUWFJFHSA-N 1 0 449.617 2.761 50 0 IFAARO COc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000011881933 556373317 /nfs/dbraw/zinc/37/33/17/556373317.db2.gz NEQGEYPRCYACMP-SFHVURJKSA-N 1 0 435.528 2.601 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1COc2c(cccc2OC)C1 ZINC000011932866 556376425 /nfs/dbraw/zinc/37/64/25/556376425.db2.gz OSVWEVAFMBQPMS-NRFANRHFSA-N 1 0 429.605 2.901 50 0 IFAARO Cn1cnnc1Sc1ccc(CN2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)o1 ZINC000012028332 556388109 /nfs/dbraw/zinc/38/81/09/556388109.db2.gz ZHRJFYWMTYGPAM-QFIPXVFZSA-N 1 0 443.573 2.723 50 0 IFAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)c3ccccc13)CC2 ZINC000012055347 556393783 /nfs/dbraw/zinc/39/37/83/556393783.db2.gz BOUNXXUMSUYNMK-QGZVFWFLSA-N 1 0 437.544 2.712 50 0 IFAARO O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012076776 556398048 /nfs/dbraw/zinc/39/80/48/556398048.db2.gz GWZBBQCBAQCWRK-HSZRJFAPSA-N 1 0 427.589 2.823 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000012184499 556402753 /nfs/dbraw/zinc/40/27/53/556402753.db2.gz XKKFLCRQWFCMTM-JOCHJYFZSA-N 1 0 434.544 2.867 50 0 IFAARO Cc1cc(C)n(CC[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)n1 ZINC000012433584 556404579 /nfs/dbraw/zinc/40/45/79/556404579.db2.gz NKPUJYLKZOBHJW-CALCHBBNSA-N 1 0 444.967 2.840 50 0 IFAARO CC(C)[C@@H](C)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000032825564 556410907 /nfs/dbraw/zinc/41/09/07/556410907.db2.gz UVDSHMDKLUTVHW-MRXNPFEDSA-N 1 0 427.998 2.682 50 0 IFAARO Cc1ccc(CN2CCc3c(cc(C(=O)N4CCN(C5CC[NH+](C)CC5)CC4)n3C)C2)cc1 ZINC000065210935 556419769 /nfs/dbraw/zinc/41/97/69/556419769.db2.gz VJPNLFCDAZDFIE-UHFFFAOYSA-N 1 0 449.643 2.744 50 0 IFAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000014534423 556422639 /nfs/dbraw/zinc/42/26/39/556422639.db2.gz NZLZKUFKGDDHFX-HXUWFJFHSA-N 1 0 444.535 2.994 50 0 IFAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000014541993 556426136 /nfs/dbraw/zinc/42/61/36/556426136.db2.gz COCQXLWIPXLPHT-MRXNPFEDSA-N 1 0 436.622 2.799 50 0 IFAARO O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014638857 556430777 /nfs/dbraw/zinc/43/07/77/556430777.db2.gz IEYICBVRRVOFHF-UHFFFAOYSA-N 1 0 435.874 2.672 50 0 IFAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000022936137 556438137 /nfs/dbraw/zinc/43/81/37/556438137.db2.gz NHPSRPYYFPAIQY-UHFFFAOYSA-N 1 0 437.544 2.830 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC000014740533 556438471 /nfs/dbraw/zinc/43/84/71/556438471.db2.gz GMNJWSUANSTHJD-GOSISDBHSA-N 1 0 432.515 2.937 50 0 IFAARO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 ZINC000072272384 556444325 /nfs/dbraw/zinc/44/43/25/556444325.db2.gz NKXVENNNKSJCTG-YADHBBJMSA-N 1 0 425.529 2.527 50 0 IFAARO COc1ccc(OC)c2c1CN(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C[C@@H]2O ZINC000032862693 556448007 /nfs/dbraw/zinc/44/80/07/556448007.db2.gz AQQUMMDCDSLRRS-FQEVSTJZSA-N 1 0 425.529 2.927 50 0 IFAARO CC(C)c1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)n1Cc1ccco1 ZINC000032865345 556450409 /nfs/dbraw/zinc/45/04/09/556450409.db2.gz XBSBHGGHLFLBMP-UHFFFAOYSA-N 1 0 426.546 2.879 50 0 IFAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4cccc(OCCO)c4)CC3)O2)cs1 ZINC000014879529 556452812 /nfs/dbraw/zinc/45/28/12/556452812.db2.gz JLBAFJTVMLMLDP-HXUWFJFHSA-N 1 0 445.585 2.766 50 0 IFAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H](c2ccncc2)N2CCOCC2)c1 ZINC000014882456 556454491 /nfs/dbraw/zinc/45/44/91/556454491.db2.gz LTEFRYWIEIWAPK-ISKFKSNPSA-N 1 0 438.572 2.634 50 0 IFAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 ZINC000014886619 556455448 /nfs/dbraw/zinc/45/54/48/556455448.db2.gz BHIFCPUZTMPTHW-UHFFFAOYSA-N 1 0 439.585 2.938 50 0 IFAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc4nsnc4c3)CC2)O1)C1CCOCC1 ZINC000014888906 556456123 /nfs/dbraw/zinc/45/61/23/556456123.db2.gz GFJATGMDYYYFLA-GOSISDBHSA-N 1 0 430.574 2.748 50 0 IFAARO Cc1cc(NC(=O)[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)no1 ZINC000028622522 556457259 /nfs/dbraw/zinc/45/72/59/556457259.db2.gz UKWUMNASWUHINJ-GOSISDBHSA-N 1 0 425.489 2.507 50 0 IFAARO CC(C)CCOc1ccc(CN(CC(C)(C)[NH+](C)C)C(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000072277482 556458632 /nfs/dbraw/zinc/45/86/32/556458632.db2.gz OSUKETGBVJNFJE-UHFFFAOYSA-N 1 0 446.592 2.674 50 0 IFAARO CC(C)[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000072281863 556462818 /nfs/dbraw/zinc/46/28/18/556462818.db2.gz DPJOVLJXDKVDAV-LJQANCHMSA-N 1 0 438.601 2.998 50 0 IFAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccn2-c2nccs2)CC1)[C@@H]1CCOC1 ZINC000014964979 556465408 /nfs/dbraw/zinc/46/54/08/556465408.db2.gz GQPUGGDKAYTBLB-MRXNPFEDSA-N 1 0 426.546 2.942 50 0 IFAARO O=C(CN1CCCC1=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015062285 556490670 /nfs/dbraw/zinc/49/06/70/556490670.db2.gz SESJKFBIOSIQFX-OAQYLSRUSA-N 1 0 431.552 2.668 50 0 IFAARO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030515665 556496292 /nfs/dbraw/zinc/49/62/92/556496292.db2.gz BDIVVWIXKHSHRW-INIZCTEOSA-N 1 0 425.455 2.681 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000015071655 556496330 /nfs/dbraw/zinc/49/63/30/556496330.db2.gz INTGLUMDXARNKU-UHFFFAOYSA-N 1 0 444.528 2.829 50 0 IFAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032899244 556524194 /nfs/dbraw/zinc/52/41/94/556524194.db2.gz UOWBTIDFDKETCX-IRXDYDNUSA-N 1 0 449.548 2.856 50 0 IFAARO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000072304579 556548792 /nfs/dbraw/zinc/54/87/92/556548792.db2.gz WWAIIBUIIFMDAN-LJQANCHMSA-N 1 0 441.601 2.976 50 0 IFAARO Cc1cc(C(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000072308748 556567450 /nfs/dbraw/zinc/56/74/50/556567450.db2.gz JHOHVSDHIQXHKH-VXKWHMMOSA-N 1 0 443.613 2.854 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000016009951 556573698 /nfs/dbraw/zinc/57/36/98/556573698.db2.gz DAOJFFLKJUBXET-JVGYHMDPSA-N 1 0 425.485 2.504 50 0 IFAARO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016012693 556574133 /nfs/dbraw/zinc/57/41/33/556574133.db2.gz XOGZYNOJUMSNDZ-KGYLXKDPSA-N 1 0 439.899 2.930 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016024546 556575956 /nfs/dbraw/zinc/57/59/56/556575956.db2.gz YGUKFBBBTVXVDY-KZDUYQQSSA-N 1 0 434.334 2.624 50 0 IFAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016024789 556576219 /nfs/dbraw/zinc/57/62/19/556576219.db2.gz VRZPEEWGOMJIFO-KTIHBUSBSA-N 1 0 437.927 2.959 50 0 IFAARO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCC(=O)NC1CCCCC1 ZINC000016362073 556602892 /nfs/dbraw/zinc/60/28/92/556602892.db2.gz TUCZGMUHPRAFNO-UHFFFAOYSA-N 1 0 429.355 2.757 50 0 IFAARO O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC[NH+]1CCCC1 ZINC000032987554 556607697 /nfs/dbraw/zinc/60/76/97/556607697.db2.gz JGDXLRWZVNPYLG-UHFFFAOYSA-N 1 0 437.953 2.563 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000409413038 556640085 /nfs/dbraw/zinc/64/00/85/556640085.db2.gz AHHVMYRUENLJJI-GHTZIAJQSA-N 1 0 428.581 2.780 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)NC(=O)CC2 ZINC000409414896 556641338 /nfs/dbraw/zinc/64/13/38/556641338.db2.gz YGKIFUWOYFGDLE-SIKLNZKXSA-N 1 0 429.561 2.690 50 0 IFAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1NS(C)(=O)=O ZINC000060167972 556651142 /nfs/dbraw/zinc/65/11/42/556651142.db2.gz RAEIZTZBTFXUJG-UHFFFAOYSA-N 1 0 425.501 2.849 50 0 IFAARO O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011753949 556651496 /nfs/dbraw/zinc/65/14/96/556651496.db2.gz XVJNSJNRIGVDLZ-OAQYLSRUSA-N 1 0 437.540 2.872 50 0 IFAARO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc(OC)c1 ZINC000011783090 556655205 /nfs/dbraw/zinc/65/52/05/556655205.db2.gz VLAHTJLOEFFASB-HNNXBMFYSA-N 1 0 439.516 2.746 50 0 IFAARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)c1 ZINC000011898702 556669236 /nfs/dbraw/zinc/66/92/36/556669236.db2.gz ZZCKKWDGYJXISB-FQEVSTJZSA-N 1 0 428.533 2.714 50 0 IFAARO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000032931759 556676621 /nfs/dbraw/zinc/67/66/21/556676621.db2.gz QSWNRXUFUBCOEN-SFTDATJTSA-N 1 0 433.508 2.848 50 0 IFAARO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027948 556708370 /nfs/dbraw/zinc/70/83/70/556708370.db2.gz BIJDEWSGBKTBGH-UHFFFAOYSA-N 1 0 425.514 2.661 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033802 556714779 /nfs/dbraw/zinc/71/47/79/556714779.db2.gz PTVJAIVEXLTEBS-UHFFFAOYSA-N 1 0 444.601 2.960 50 0 IFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033034182 556715636 /nfs/dbraw/zinc/71/56/36/556715636.db2.gz WCZWBMVTDXUMHT-UHFFFAOYSA-N 1 0 436.965 2.690 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000055269587 556739358 /nfs/dbraw/zinc/73/93/58/556739358.db2.gz WNTGMBJFUSSLCN-UHFFFAOYSA-N 1 0 440.500 2.651 50 0 IFAARO Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048204 556744056 /nfs/dbraw/zinc/74/40/56/556744056.db2.gz HZKLIARAGPYWMM-UHFFFAOYSA-N 1 0 436.585 2.714 50 0 IFAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000058165843 556766431 /nfs/dbraw/zinc/76/64/31/556766431.db2.gz IMPWJSFGGOWPSI-SFHVURJKSA-N 1 0 430.593 2.952 50 0 IFAARO CCN1CC[NH+](CCCCNC(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 ZINC000058168958 556767423 /nfs/dbraw/zinc/76/74/23/556767423.db2.gz SNTMIHHYYDMFNF-UHFFFAOYSA-N 1 0 425.577 2.878 50 0 IFAARO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058297376 556778316 /nfs/dbraw/zinc/77/83/16/556778316.db2.gz RBXXQENBRJEKMT-UHFFFAOYSA-N 1 0 435.521 2.892 50 0 IFAARO O=C(CN1CCN(C(=O)c2ccco2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337688 556781578 /nfs/dbraw/zinc/78/15/78/556781578.db2.gz KUARUJPEENNVPB-FQEVSTJZSA-N 1 0 444.963 2.644 50 0 IFAARO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1OC ZINC000064799768 556827050 /nfs/dbraw/zinc/82/70/50/556827050.db2.gz AWLRENUEZBWHES-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000065362897 556834627 /nfs/dbraw/zinc/83/46/27/556834627.db2.gz PEPHNXLDWZJYHO-UHFFFAOYSA-N 1 0 433.553 2.734 50 0 IFAARO CCOc1ccccc1N(Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000067613115 556844448 /nfs/dbraw/zinc/84/44/48/556844448.db2.gz VDRIBJCRYSNMMQ-UHFFFAOYSA-N 1 0 445.585 2.876 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131488 556871855 /nfs/dbraw/zinc/87/18/55/556871855.db2.gz DFBCTHZHMCGZCB-OAHLLOKOSA-N 1 0 446.038 2.682 50 0 IFAARO c1cc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2nonc12 ZINC000019739629 556878594 /nfs/dbraw/zinc/87/85/94/556878594.db2.gz MBPMZHIYLPYXSB-HXUWFJFHSA-N 1 0 435.528 2.734 50 0 IFAARO CSc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1C(=O)N1CCCC1 ZINC000071375526 556880389 /nfs/dbraw/zinc/88/03/89/556880389.db2.gz XVCQAKDPKNSNFP-UHFFFAOYSA-N 1 0 425.620 2.655 50 0 IFAARO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCC[NH+]1CCCC1 ZINC000033254685 556891040 /nfs/dbraw/zinc/89/10/40/556891040.db2.gz YUHHEFRSFMFPBT-UHFFFAOYSA-N 1 0 427.998 2.733 50 0 IFAARO CC[NH+](CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)C1 ZINC000019744849 556891592 /nfs/dbraw/zinc/89/15/92/556891592.db2.gz XWXMTZKWLSMLGZ-IBGZPJMESA-N 1 0 440.654 2.942 50 0 IFAARO O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033256931 556895496 /nfs/dbraw/zinc/89/54/96/556895496.db2.gz XBTUUOZTHBMRGQ-UHFFFAOYSA-N 1 0 443.573 2.784 50 0 IFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000033260380 556897058 /nfs/dbraw/zinc/89/70/58/556897058.db2.gz XYLIAUQZCKFIIZ-UHFFFAOYSA-N 1 0 435.576 2.856 50 0 IFAARO c1cc2nonc2c(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790935 556914772 /nfs/dbraw/zinc/91/47/72/556914772.db2.gz JDLQKRVLWQNOBI-FQEVSTJZSA-N 1 0 435.528 2.734 50 0 IFAARO CC[NH+]1CCN(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)CC1 ZINC000019835737 556928132 /nfs/dbraw/zinc/92/81/32/556928132.db2.gz QYGBFBQFKJRWHE-OAQYLSRUSA-N 1 0 425.577 2.648 50 0 IFAARO CCOc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000019848157 556930137 /nfs/dbraw/zinc/93/01/37/556930137.db2.gz DREGDJAZILKIPW-IBGZPJMESA-N 1 0 440.496 2.735 50 0 IFAARO O=C(C[S@](=O)Cc1ccco1)NC/C=C\COc1ncccc1C[NH+]1CCCCC1 ZINC000072482077 556973710 /nfs/dbraw/zinc/97/37/10/556973710.db2.gz ZPCZPXJIAUUKEH-FCRIZLRQSA-N 1 0 431.558 2.661 50 0 IFAARO O=C(C[S@@](=O)Cc1ccco1)NC/C=C\COc1ncccc1C[NH+]1CCCCC1 ZINC000072482076 556973760 /nfs/dbraw/zinc/97/37/60/556973760.db2.gz ZPCZPXJIAUUKEH-FQRQDQBPSA-N 1 0 431.558 2.661 50 0 IFAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020193450 556996881 /nfs/dbraw/zinc/99/68/81/556996881.db2.gz AOOASYRDZJCKBR-KBPBESRZSA-N 1 0 433.505 2.800 50 0 IFAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](CCO)CC2)cc1 ZINC000023086426 556997418 /nfs/dbraw/zinc/99/74/18/556997418.db2.gz PIMABWDQPYUYNV-SANMLTNESA-N 1 0 447.579 2.918 50 0 IFAARO Cc1cc(O)c([C@H](c2ccccc2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000023086377 556997424 /nfs/dbraw/zinc/99/74/24/556997424.db2.gz GQTWTMTZTVKJJK-VWLOTQADSA-N 1 0 433.552 2.610 50 0 IFAARO O=C(NCCCCC[NH+]1CCOCC1)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000020202416 556997870 /nfs/dbraw/zinc/99/78/70/556997870.db2.gz LJAMKVRUDFGGSD-UHFFFAOYSA-N 1 0 425.455 2.578 50 0 IFAARO Cc1ccsc1C[N@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000020212244 556998970 /nfs/dbraw/zinc/99/89/70/556998970.db2.gz SGXBYWKLYOFCPC-UHFFFAOYSA-N 1 0 427.549 2.747 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2nc(N3CC[NH+](Cc4ccccc4)CC3)cnc2c1 ZINC000096919016 557002740 /nfs/dbraw/zinc/00/27/40/557002740.db2.gz AOZQJTPFPPVERA-UHFFFAOYSA-N 1 0 439.585 2.983 50 0 IFAARO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC([NH+](C)C)CC1 ZINC000072027694 557022312 /nfs/dbraw/zinc/02/23/12/557022312.db2.gz ZUYJGIHWJZGSGZ-KRWDZBQOSA-N 1 0 442.423 2.853 50 0 IFAARO COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)c1 ZINC000017245973 557044465 /nfs/dbraw/zinc/04/44/65/557044465.db2.gz VJRBGMHGVRWFSM-UHFFFAOYSA-N 1 0 429.517 2.745 50 0 IFAARO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 ZINC000022919871 557047076 /nfs/dbraw/zinc/04/70/76/557047076.db2.gz QAVHRIWBHXVUSU-JOCHJYFZSA-N 1 0 425.577 2.722 50 0 IFAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000022936736 557052870 /nfs/dbraw/zinc/05/28/70/557052870.db2.gz NOXHOOQXZOITKA-GBXCKJPGSA-N 1 0 438.572 2.563 50 0 IFAARO COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000022942532 557053885 /nfs/dbraw/zinc/05/38/85/557053885.db2.gz SNOQWYOFPQTNTG-UHFFFAOYSA-N 1 0 427.314 2.847 50 0 IFAARO CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275434 557054375 /nfs/dbraw/zinc/05/43/75/557054375.db2.gz XAZVEAHXBGYLSS-KRWDZBQOSA-N 1 0 430.574 2.734 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N[C@@H](C)CC)c2)cc1 ZINC000033275428 557054387 /nfs/dbraw/zinc/05/43/87/557054387.db2.gz HQIJPGUYMOTOLD-KRWDZBQOSA-N 1 0 444.601 2.988 50 0 IFAARO Cc1oc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCC1 ZINC000048299805 557061615 /nfs/dbraw/zinc/06/16/15/557061615.db2.gz YRWRVHIQORSLCK-UHFFFAOYSA-N 1 0 431.558 2.551 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(OC)c1C ZINC000023129888 557066863 /nfs/dbraw/zinc/06/68/63/557066863.db2.gz LUSQVUYVRGBYQA-UHFFFAOYSA-N 1 0 449.555 2.521 50 0 IFAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1(N3CCOCC3)CCCCCC1)C2 ZINC000023250376 557078630 /nfs/dbraw/zinc/07/86/30/557078630.db2.gz FLXZMIMCNITNMR-HXUWFJFHSA-N 1 0 443.636 2.528 50 0 IFAARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cn2)CC1 ZINC000023318589 557083728 /nfs/dbraw/zinc/08/37/28/557083728.db2.gz DXTUHDOASUTLFR-UHFFFAOYSA-N 1 0 441.539 2.556 50 0 IFAARO CCc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400868 557096657 /nfs/dbraw/zinc/09/66/57/557096657.db2.gz AVLONBUMLWGTNS-UHFFFAOYSA-N 1 0 430.552 2.989 50 0 IFAARO OC1(C[NH+]2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c43)CC2)CCOCC1 ZINC000095577747 557158307 /nfs/dbraw/zinc/15/83/07/557158307.db2.gz WLLOFQROROXOMO-GOSISDBHSA-N 1 0 432.517 2.628 50 0 investigational IFAARO COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[NH+]3CCCCCC3)C2=O)cc1OC ZINC000097993236 557187514 /nfs/dbraw/zinc/18/75/14/557187514.db2.gz CCSYLHAFTJVFBH-XMHGGMMESA-N 1 0 447.557 2.732 50 0 IFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000025072183 557194295 /nfs/dbraw/zinc/19/42/95/557194295.db2.gz IUCZCLXUNSWHFA-QFIPXVFZSA-N 1 0 445.560 2.891 50 0 IFAARO COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604406313 557239902 /nfs/dbraw/zinc/23/99/02/557239902.db2.gz HEZKRMDSPADQAJ-GOSISDBHSA-N 1 0 441.484 2.540 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000583647593 557241234 /nfs/dbraw/zinc/24/12/34/557241234.db2.gz NEUDBCYODBUKHN-VWPQPMDRSA-N 1 0 431.577 2.758 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583647595 557241319 /nfs/dbraw/zinc/24/13/19/557241319.db2.gz NIKKGYQHKSLTQW-VXKWHMMOSA-N 1 0 429.609 2.823 50 0 IFAARO Cc1cc(C)nc(N2CCC([NH2+][C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 ZINC000100205798 557247568 /nfs/dbraw/zinc/24/75/68/557247568.db2.gz ZGFHWTSDBWACSU-GOSISDBHSA-N 1 0 431.899 2.776 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](c3cccs3)[NH+](C)C)C2)s1 ZINC000027679744 557271295 /nfs/dbraw/zinc/27/12/95/557271295.db2.gz IREXXJYXJUZGEI-HOTGVXAUSA-N 1 0 441.644 2.938 50 0 IFAARO O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014021421 557284463 /nfs/dbraw/zinc/28/44/63/557284463.db2.gz XVKFLJFHQVCVOB-UHFFFAOYSA-N 1 0 447.583 2.747 50 0 IFAARO O=C(NCCn1ncc2c1ncnc2N1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000011665921 557293870 /nfs/dbraw/zinc/29/38/70/557293870.db2.gz AVRIJQXVPNLROC-UHFFFAOYSA-N 1 0 437.523 2.598 50 0 IFAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000014101083 557303283 /nfs/dbraw/zinc/30/32/83/557303283.db2.gz LPSZKBYNYGOFDV-UHFFFAOYSA-N 1 0 432.546 2.596 50 0 IFAARO COc1cccc(-c2nnn(CC(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)n2)c1 ZINC000014116530 557305980 /nfs/dbraw/zinc/30/59/80/557305980.db2.gz QKVZMKXAISJNMO-UHFFFAOYSA-N 1 0 442.523 2.846 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000103581365 557316789 /nfs/dbraw/zinc/31/67/89/557316789.db2.gz HUSYJKPYFMYEPF-FPTDNZKUSA-N 1 0 430.455 2.763 50 0 IFAARO COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc(OC)c1OC ZINC000011667744 557323517 /nfs/dbraw/zinc/32/35/17/557323517.db2.gz YWJJTROVALECIW-UHFFFAOYSA-N 1 0 433.530 2.892 50 0 IFAARO C[N@H+](CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000033254512 557327736 /nfs/dbraw/zinc/32/77/36/557327736.db2.gz SNJYDOMKRRVUAU-UHFFFAOYSA-N 1 0 429.586 2.726 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1 ZINC000023907616 557379046 /nfs/dbraw/zinc/37/90/46/557379046.db2.gz VCJAOUSUQJPNED-SFHVURJKSA-N 1 0 433.555 2.852 50 0 IFAARO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318315 557469838 /nfs/dbraw/zinc/46/98/38/557469838.db2.gz PSLCRODNKQRPPA-JOCHJYFZSA-N 1 0 426.561 2.726 50 0 IFAARO Cc1cc([C@H]([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000108165352 557541686 /nfs/dbraw/zinc/54/16/86/557541686.db2.gz OQTSXKXUHFJUBJ-BBTUJRGHSA-N 1 0 442.647 2.846 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1 ZINC000045944587 557553172 /nfs/dbraw/zinc/55/31/72/557553172.db2.gz DIAFDBDTDXCRJG-FQEVSTJZSA-N 1 0 429.586 2.611 50 0 IFAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000225767907 557774998 /nfs/dbraw/zinc/77/49/98/557774998.db2.gz SWQLGKBVXBXXBE-PZJWPPBQSA-N 1 0 446.592 2.682 50 0 IFAARO COc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002655642 562929508 /nfs/dbraw/zinc/92/95/08/562929508.db2.gz FYCHBOBKOLFOKO-UHFFFAOYSA-N 1 0 443.569 2.614 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004004903 562940718 /nfs/dbraw/zinc/94/07/18/562940718.db2.gz WNVMTNHPFYTUMJ-UHFFFAOYSA-N 1 0 434.540 2.538 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC[NH+](C)C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004143993 562942313 /nfs/dbraw/zinc/94/23/13/562942313.db2.gz DYMRSCPTKMATHW-TVHGACNRSA-N 1 0 443.588 2.696 50 0 IFAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)CC1 ZINC000008789177 562964163 /nfs/dbraw/zinc/96/41/63/562964163.db2.gz TVZBMYDJHZPXMZ-NYVOZVTQSA-N 1 0 444.620 2.617 50 0 IFAARO CCOC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)cn1C ZINC000009290308 562969031 /nfs/dbraw/zinc/96/90/31/562969031.db2.gz LVDDIHMLZWOFCO-UHFFFAOYSA-N 1 0 433.574 2.701 50 0 IFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000009405571 562970164 /nfs/dbraw/zinc/97/01/64/562970164.db2.gz CCUMQWKSMZFGTK-MRXNPFEDSA-N 1 0 430.574 2.759 50 0 IFAARO C[NH+](C)CCCn1c(=O)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c1CCCC2 ZINC000009747903 562976582 /nfs/dbraw/zinc/97/65/82/562976582.db2.gz FTNPKXUQCITUHR-UHFFFAOYSA-N 1 0 444.557 2.533 50 0 IFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009952660 562977770 /nfs/dbraw/zinc/97/77/70/562977770.db2.gz DHFLICDFCIPIQU-GOSISDBHSA-N 1 0 437.562 2.557 50 0 IFAARO COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000013010616 562984054 /nfs/dbraw/zinc/98/40/54/562984054.db2.gz PFQBFNZJYJLJEQ-NRFANRHFSA-N 1 0 425.529 2.777 50 0 IFAARO O=C(CCN1CCCCC1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055283886 563142475 /nfs/dbraw/zinc/14/24/75/563142475.db2.gz ZJMOEOFSDPZQNV-OAQYLSRUSA-N 1 0 432.996 2.856 50 0 IFAARO O=C1CO[C@@H](CNc2ccc(C(F)(F)F)cn2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299794713 568757690 /nfs/dbraw/zinc/75/76/90/568757690.db2.gz MQDBSEBJBOGVQE-SFHVURJKSA-N 1 0 426.483 2.862 50 0 IFAARO COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3CO2)cc1 ZINC000263616113 568776943 /nfs/dbraw/zinc/77/69/43/568776943.db2.gz HDNHYUQFCQUUNY-NRFANRHFSA-N 1 0 425.533 2.649 50 0 IFAARO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826480 568783839 /nfs/dbraw/zinc/78/38/39/568783839.db2.gz HEKYEUMFTHYCLP-NRFANRHFSA-N 1 0 434.584 2.614 50 0 IFAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000015727778 568812936 /nfs/dbraw/zinc/81/29/36/568812936.db2.gz FSKZZUDILBOELF-FQEVSTJZSA-N 1 0 449.555 2.928 50 0 IFAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000015727779 568812959 /nfs/dbraw/zinc/81/29/59/568812959.db2.gz FSKZZUDILBOELF-HXUWFJFHSA-N 1 0 449.555 2.928 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)C1 ZINC000015786806 568836274 /nfs/dbraw/zinc/83/62/74/568836274.db2.gz YOJNXUCIKZRFIE-CQSZACIVSA-N 1 0 440.953 2.549 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000015956613 568859905 /nfs/dbraw/zinc/85/99/05/568859905.db2.gz HZUZNQSIBXXFOD-DDOIHHOZSA-N 1 0 427.570 2.720 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(c3cc(C)cc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000015958447 568860317 /nfs/dbraw/zinc/86/03/17/568860317.db2.gz KIYSKRKTROCGKB-DDOIHHOZSA-N 1 0 427.570 2.720 50 0 IFAARO CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCc2cccnc2)CC[NH+](C)CC1 ZINC000575443904 568869776 /nfs/dbraw/zinc/86/97/76/568869776.db2.gz VIBNDQNNHKODLX-UHFFFAOYSA-N 1 0 433.556 2.735 50 0 IFAARO C[NH+](C)CCCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524729305 568903802 /nfs/dbraw/zinc/90/38/02/568903802.db2.gz NHUAPGXQVNKSBQ-MRXNPFEDSA-N 1 0 438.480 2.817 50 0 IFAARO C[NH+](C)CCCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524729304 568903830 /nfs/dbraw/zinc/90/38/30/568903830.db2.gz NHUAPGXQVNKSBQ-INIZCTEOSA-N 1 0 438.480 2.817 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000524729537 568904006 /nfs/dbraw/zinc/90/40/06/568904006.db2.gz XSQJJYSUMVENMR-BHDDXSALSA-N 1 0 429.609 2.823 50 0 IFAARO CC(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(c4ccccc4N(C)C3=O)[C@H]2C1=O ZINC000245235479 568913115 /nfs/dbraw/zinc/91/31/15/568913115.db2.gz LEKAGIYBNROEHO-BLJFENDVSA-N 1 0 442.519 2.564 50 0 IFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000245329485 568915285 /nfs/dbraw/zinc/91/52/85/568915285.db2.gz ZNMFUECAVDMKNF-BOCITWAFSA-N 1 0 441.462 2.993 50 0 IFAARO Cc1ccccc1C(=O)N1CCN(c2nc(CN(C)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000035926489 568931694 /nfs/dbraw/zinc/93/16/94/568931694.db2.gz DWLMCKQLUFHSHX-UHFFFAOYSA-N 1 0 431.540 2.673 50 0 IFAARO COc1ccc(CCN2C[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2=O)cc1OC ZINC000064761492 568952655 /nfs/dbraw/zinc/95/26/55/568952655.db2.gz USYDCMVDFBXZIP-FQEVSTJZSA-N 1 0 443.588 2.572 50 0 IFAARO COc1ccc(OC[C@H](O)C[N@H+](CCN2CCOCC2)Cc2cc(C)ccc2C)cc1 ZINC000036103813 568952954 /nfs/dbraw/zinc/95/29/54/568952954.db2.gz CRSSPSQGDJADSR-HSZRJFAPSA-N 1 0 428.573 2.886 50 0 IFAARO COc1ccc(OC[C@@H](O)C[N@H+](CCN2CCOCC2)Cc2cc(C)ccc2C)cc1 ZINC000036103812 568952971 /nfs/dbraw/zinc/95/29/71/568952971.db2.gz CRSSPSQGDJADSR-QHCPKHFHSA-N 1 0 428.573 2.886 50 0 IFAARO O[C@H](CN1CCOCC1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147111 568962497 /nfs/dbraw/zinc/96/24/97/568962497.db2.gz KANNSZLAUQIRLT-DHIUTWEWSA-N 1 0 427.520 2.514 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036255034 568984985 /nfs/dbraw/zinc/98/49/85/568984985.db2.gz YENBAAVCRADHQO-QHCPKHFHSA-N 1 0 444.595 2.744 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000169677967 568990428 /nfs/dbraw/zinc/99/04/28/568990428.db2.gz TVRUQGFOAVEIQZ-INZIPBBXSA-N 1 0 449.573 2.516 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000169677968 568990511 /nfs/dbraw/zinc/99/05/11/568990511.db2.gz TVRUQGFOAVEIQZ-MYGHRHJXSA-N 1 0 449.573 2.516 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000169680137 568990779 /nfs/dbraw/zinc/99/07/79/568990779.db2.gz JBOYQRAGXJTKHU-IEBWSBKVSA-N 1 0 448.585 2.591 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681113 568991475 /nfs/dbraw/zinc/99/14/75/568991475.db2.gz YCADSHSGDOTHDT-UHFFFAOYSA-N 1 0 429.524 2.913 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681172 568991763 /nfs/dbraw/zinc/99/17/63/568991763.db2.gz ZRIGCVQNWJWQJA-UHFFFAOYSA-N 1 0 435.503 2.908 50 0 IFAARO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309092 568995941 /nfs/dbraw/zinc/99/59/41/568995941.db2.gz YEMPDFJQTXLDKH-UGKGYDQZSA-N 1 0 444.597 2.972 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000036310027 568996418 /nfs/dbraw/zinc/99/64/18/568996418.db2.gz JBOYQRAGXJTKHU-MJGOQNOKSA-N 1 0 448.585 2.591 50 0 IFAARO CC[C@H](C(=O)NCCC[NH+]1CCCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971053 569076462 /nfs/dbraw/zinc/07/64/62/569076462.db2.gz AQEIRCYDNPVDIE-HXUWFJFHSA-N 1 0 436.560 2.752 50 0 IFAARO CC[NH+](CC)CCNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062163 569097072 /nfs/dbraw/zinc/09/70/72/569097072.db2.gz XJGZJDFGWQIRSD-CQSZACIVSA-N 1 0 436.043 2.896 50 0 IFAARO CC(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCC2)cc1 ZINC000065074863 569099308 /nfs/dbraw/zinc/09/93/08/569099308.db2.gz KAVOQXRJJVXHKE-UHFFFAOYSA-N 1 0 432.634 2.942 50 0 IFAARO CCn1cc(CC[NH+]2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c2cccnc21 ZINC000065165003 569112938 /nfs/dbraw/zinc/11/29/38/569112938.db2.gz DARFXACDFGVDPA-UHFFFAOYSA-N 1 0 426.561 2.676 50 0 IFAARO Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)cc21 ZINC000065270668 569127586 /nfs/dbraw/zinc/12/75/86/569127586.db2.gz LSODQTORCGAKCQ-UHFFFAOYSA-N 1 0 447.514 2.967 50 0 IFAARO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000065270860 569127588 /nfs/dbraw/zinc/12/75/88/569127588.db2.gz HNUUOIAAZCSMLM-UHFFFAOYSA-N 1 0 429.524 2.865 50 0 IFAARO Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)cc21 ZINC000065270666 569127613 /nfs/dbraw/zinc/12/76/13/569127613.db2.gz SQRVADPSMAMVBW-UHFFFAOYSA-N 1 0 447.514 2.967 50 0 IFAARO C[NH+]1CCC(NC(=O)c2ccc3c(c2)n(Cc2ccc(F)cc2)c(=O)c2ccnn23)CC1 ZINC000065270961 569127778 /nfs/dbraw/zinc/12/77/78/569127778.db2.gz SABOOFYCTTULDE-UHFFFAOYSA-N 1 0 433.487 2.661 50 0 IFAARO CC1CC[NH+](CCCNC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000065272849 569129179 /nfs/dbraw/zinc/12/91/79/569129179.db2.gz RTBZIVNODQQLME-SFHVURJKSA-N 1 0 433.618 2.564 50 0 IFAARO C[NH+]1CCN(CCCNC(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273155 569129419 /nfs/dbraw/zinc/12/94/19/569129419.db2.gz FPBKHTWNHYFUBP-IBGZPJMESA-N 1 0 446.661 2.623 50 0 IFAARO Cc1scc2nc(C(=O)NCCN3CCC([NH+]4CCCCC4)CC3)nc(N(C)C)c12 ZINC000065283500 569130133 /nfs/dbraw/zinc/13/01/33/569130133.db2.gz ZBDGUKGJNGDFNL-UHFFFAOYSA-N 1 0 430.622 2.746 50 0 IFAARO Cc1nc(Nc2cc(C)ccn2)sc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000065306254 569133308 /nfs/dbraw/zinc/13/33/08/569133308.db2.gz OOTNYRWZHBFAEM-UHFFFAOYSA-N 1 0 442.589 2.845 50 0 IFAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(C(F)(F)F)cn43)C2)CC1 ZINC000065313014 569135183 /nfs/dbraw/zinc/13/51/83/569135183.db2.gz GFWGELBBQYDJKV-MRXNPFEDSA-N 1 0 438.498 2.909 50 0 IFAARO CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@@H+]1Cc1ccccc1 ZINC000170595194 569141411 /nfs/dbraw/zinc/14/14/11/569141411.db2.gz AJNYFPKKAZQJMR-MRXNPFEDSA-N 1 0 434.334 2.895 50 0 IFAARO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)CC1 ZINC000170607476 569144157 /nfs/dbraw/zinc/14/41/57/569144157.db2.gz RBRBAVSTWXFCTG-UHFFFAOYSA-N 1 0 437.629 2.635 50 0 IFAARO COc1cc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)c(C)cc1C ZINC000017010304 569170259 /nfs/dbraw/zinc/17/02/59/569170259.db2.gz LKAWQPRANPPDME-UHFFFAOYSA-N 1 0 445.589 2.522 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1C ZINC000017011281 569170445 /nfs/dbraw/zinc/17/04/45/569170445.db2.gz LPZVBEOSXDICOT-UHFFFAOYSA-N 1 0 445.589 2.603 50 0 IFAARO Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)[nH+]1 ZINC000017012811 569170633 /nfs/dbraw/zinc/17/06/33/569170633.db2.gz LZEJIXCDJHQJHK-UHFFFAOYSA-N 1 0 449.580 2.933 50 0 IFAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012717 569170675 /nfs/dbraw/zinc/17/06/75/569170675.db2.gz AKPJLKSGKQCSFI-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000252500168 569188101 /nfs/dbraw/zinc/18/81/01/569188101.db2.gz SOFMGXJUXZLLPU-INIZCTEOSA-N 1 0 432.392 2.517 50 0 IFAARO Cc1ncnc(C)c1C(=O)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252510678 569188630 /nfs/dbraw/zinc/18/86/30/569188630.db2.gz ZOAZAXVTZXRIRY-UHFFFAOYSA-N 1 0 448.493 2.934 50 0 IFAARO C[NH+](C)CCNC(=O)CCNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037426221 569195808 /nfs/dbraw/zinc/19/58/08/569195808.db2.gz KQMHUZTUAZBIEC-UHFFFAOYSA-N 1 0 429.468 2.703 50 0 IFAARO Cc1s/c(=N\C(=O)c2ccccc2F)n(Cc2ccc(C(=O)NCC[NH+](C)C)o2)c1C ZINC000037428426 569196007 /nfs/dbraw/zinc/19/60/07/569196007.db2.gz RUKQQCJQVINFTF-LVWGJNHUSA-N 1 0 444.532 2.979 50 0 IFAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1 ZINC000581819726 569211393 /nfs/dbraw/zinc/21/13/93/569211393.db2.gz FJEGDQSDASDUDS-HSZRJFAPSA-N 1 0 428.621 2.978 50 0 IFAARO O=C(C1CCOCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819796 569211596 /nfs/dbraw/zinc/21/15/96/569211596.db2.gz LORBMVAGJHDTIN-HSZRJFAPSA-N 1 0 427.589 2.775 50 0 IFAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2)CC1 ZINC000581819869 569211821 /nfs/dbraw/zinc/21/18/21/569211821.db2.gz PGMQXUWLJQLYGF-HXUWFJFHSA-N 1 0 439.597 2.554 50 0 IFAARO O=C(NC1CCCCC1)[C@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@H]1[NH2+]C1CCCCC1 ZINC000107988107 569258772 /nfs/dbraw/zinc/25/87/72/569258772.db2.gz AJSNGWPXOSLKIO-UXHICEINSA-N 1 0 431.577 2.613 50 0 IFAARO COc1ccccc1CCN1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000253413713 569266165 /nfs/dbraw/zinc/26/61/65/569266165.db2.gz VNFOMMRINDCVPS-BHDDXSALSA-N 1 0 427.589 2.809 50 0 IFAARO CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3CCC[NH+](C)C)C1 ZINC000002328240 569274451 /nfs/dbraw/zinc/27/44/51/569274451.db2.gz GHUIIRLVNBZCDQ-UHFFFAOYSA-N 1 0 432.977 2.807 50 0 IFAARO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000328591373 569316974 /nfs/dbraw/zinc/31/69/74/569316974.db2.gz SBLXZLCCKZFAIE-UHFFFAOYSA-N 1 0 433.618 2.738 50 0 IFAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCCN(C(=O)N(CC)CC)C1 ZINC000078947406 569320322 /nfs/dbraw/zinc/32/03/22/569320322.db2.gz GNHSWJLIBDRYNL-IBGZPJMESA-N 1 0 445.608 2.949 50 0 IFAARO NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000079096530 569325316 /nfs/dbraw/zinc/32/53/16/569325316.db2.gz RSWRWSWCZYCVMS-UHFFFAOYSA-N 1 0 428.489 2.876 50 0 IFAARO COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(C[NH+]3CCCCC3)n1C)CC2 ZINC000079191632 569328054 /nfs/dbraw/zinc/32/80/54/569328054.db2.gz AYUHDJITWBONDA-UHFFFAOYSA-N 1 0 427.545 2.652 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000095100962 569358132 /nfs/dbraw/zinc/35/81/32/569358132.db2.gz SXLVYXORHYMBFQ-HSZRJFAPSA-N 1 0 434.540 2.676 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417520 569365022 /nfs/dbraw/zinc/36/50/22/569365022.db2.gz KEVUAKOVBPWMON-LJQANCHMSA-N 1 0 439.535 2.603 50 0 IFAARO O=S(=O)(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc2cccnc21 ZINC000095433129 569366398 /nfs/dbraw/zinc/36/63/98/569366398.db2.gz MCIMAEJUAXZTTF-OAQYLSRUSA-N 1 0 425.554 2.959 50 0 IFAARO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCN1C1CC[NH+](C)CC1 ZINC000095455954 569368732 /nfs/dbraw/zinc/36/87/32/569368732.db2.gz QQVXLYFBMORURZ-MRXNPFEDSA-N 1 0 446.393 2.875 50 0 IFAARO CC(C)[C@H](C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)N1CCCC1=O ZINC000095460265 569369585 /nfs/dbraw/zinc/36/95/85/569369585.db2.gz GMDLLBWOFMZYRL-MZLICYQSSA-N 1 0 429.605 2.959 50 0 IFAARO C[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482553 569374454 /nfs/dbraw/zinc/37/44/54/569374454.db2.gz NLORHLNCSFNJRJ-SFHVURJKSA-N 1 0 445.585 2.631 50 0 IFAARO COc1cc(C[N@@H+]2CC=C(c3ccccc3F)C2)ccc1OCC(=O)N1CCOCC1 ZINC000095940819 569375344 /nfs/dbraw/zinc/37/53/44/569375344.db2.gz YBEZPYHLGYEOGZ-UHFFFAOYSA-N 1 0 426.488 2.971 50 0 IFAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096007009 569379462 /nfs/dbraw/zinc/37/94/62/569379462.db2.gz UGIBKTXPGLZFFC-XMMPIXPASA-N 1 0 435.568 2.812 50 0 IFAARO O=C(Nc1c[nH+]ccc1N1CCOCC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000096011100 569379791 /nfs/dbraw/zinc/37/97/91/569379791.db2.gz HSQYLAVLKUUAEM-CQSZACIVSA-N 1 0 445.317 2.672 50 0 IFAARO O=C(COc1ccc(Cl)cc1)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12 ZINC000096024221 569380513 /nfs/dbraw/zinc/38/05/13/569380513.db2.gz KXCQARZMEZYLEC-UHFFFAOYSA-N 1 0 440.931 2.841 50 0 IFAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000096299589 569392081 /nfs/dbraw/zinc/39/20/81/569392081.db2.gz CCJUYJPNWLJZOB-IBSUQTTCSA-N 1 0 435.499 2.817 50 0 IFAARO CC[C@H]([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000057994624 569444344 /nfs/dbraw/zinc/44/43/44/569444344.db2.gz YWPGLKTWHOVNHS-FCSDKFEESA-N 1 0 433.618 2.577 50 0 IFAARO CN1c2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC[NH+](C)CC3)cc2C(C)(C)C1=O ZINC000015731723 569447844 /nfs/dbraw/zinc/44/78/44/569447844.db2.gz QMGQBHKZFDVUTA-UHFFFAOYSA-N 1 0 442.585 2.621 50 0 IFAARO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)CC2)c1 ZINC000031234801 569455027 /nfs/dbraw/zinc/45/50/27/569455027.db2.gz DYFJBTJOEWPTLV-DEOSSOPVSA-N 1 0 448.611 2.715 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc(C)c1C ZINC000008705853 569470450 /nfs/dbraw/zinc/47/04/50/569470450.db2.gz VTHKOEIIOUXIMO-OAQYLSRUSA-N 1 0 445.585 2.787 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccc(C)cc12 ZINC000008876787 569481113 /nfs/dbraw/zinc/48/11/13/569481113.db2.gz YSPQCOHYEDVYBI-ATCYZTLESA-N 1 0 429.904 2.802 50 0 IFAARO COC(=O)c1ccc2c(c1)nc(CC(=O)NCC[NH+](C)C)n2Cc1ccc(Cl)cc1 ZINC000039932784 569482088 /nfs/dbraw/zinc/48/20/88/569482088.db2.gz DGTLDEIJXASOFW-UHFFFAOYSA-N 1 0 428.920 2.745 50 0 IFAARO Cc1c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040092011 569487512 /nfs/dbraw/zinc/48/75/12/569487512.db2.gz ZBUIFJOOAUCWLB-KRWDZBQOSA-N 1 0 437.466 2.921 50 0 IFAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000040151637 569493304 /nfs/dbraw/zinc/49/33/04/569493304.db2.gz OSXYTLAPUKLSKI-UHFFFAOYSA-N 1 0 426.492 2.573 50 0 IFAARO COc1cccc(N2CC[NH+](C3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000244975254 569496731 /nfs/dbraw/zinc/49/67/31/569496731.db2.gz IIGMXHOLBDQBJK-XMMPIXPASA-N 1 0 437.540 2.648 50 0 IFAARO CC[NH+](CC)CCN1CCN(C(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356018 569499858 /nfs/dbraw/zinc/49/98/58/569499858.db2.gz VZGPZYCXMDZRJP-UHFFFAOYSA-N 1 0 433.553 2.634 50 0 IFAARO Cc1c(C)n(-c2cccc(C)c2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000009124379 569504288 /nfs/dbraw/zinc/50/42/88/569504288.db2.gz GKXNSIDXOCVNGE-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO CCCn1c2ccccc2c2cnn(CC(=O)N(CC[NH+](C)C)Cc3ccco3)c(=O)c21 ZINC000009153442 569508075 /nfs/dbraw/zinc/50/80/75/569508075.db2.gz JGZZYKBNHYVHFZ-UHFFFAOYSA-N 1 0 435.528 2.945 50 0 IFAARO O=C(CCNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009185697 569510180 /nfs/dbraw/zinc/51/01/80/569510180.db2.gz WQPGBRHZTIBSQE-UHFFFAOYSA-N 1 0 443.551 2.860 50 0 IFAARO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000009257121 569516825 /nfs/dbraw/zinc/51/68/25/569516825.db2.gz IIALHVOAKODKED-QUCCMNQESA-N 1 0 429.542 2.959 50 0 IFAARO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000009257119 569516837 /nfs/dbraw/zinc/51/68/37/569516837.db2.gz IIALHVOAKODKED-ICSRJNTNSA-N 1 0 429.542 2.959 50 0 IFAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)c1ccccc1O2 ZINC000009494139 569540856 /nfs/dbraw/zinc/54/08/56/569540856.db2.gz RBTDROBTCLRASB-FQEVSTJZSA-N 1 0 432.524 2.960 50 0 IFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccccc3OC)nc1=O)CCC2 ZINC000009745436 569565674 /nfs/dbraw/zinc/56/56/74/569565674.db2.gz MGFALKDHGUOGJW-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO Cc1cn2c(nc3c2c(=O)n(Cc2cccc4ccccc42)c(=O)n3C)n1CCC[NH+](C)C ZINC000010103740 569577888 /nfs/dbraw/zinc/57/78/88/569577888.db2.gz SRWYDMDDXFAHQG-UHFFFAOYSA-N 1 0 444.539 2.611 50 0 IFAARO Cc1cn2c3c(nc2n1-c1ccc(C)cc1C)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000010271836 569580072 /nfs/dbraw/zinc/58/00/72/569580072.db2.gz NSRJFYBYBOCRGC-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO COc1ccc(CC(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1OC ZINC000077100902 569585499 /nfs/dbraw/zinc/58/54/99/569585499.db2.gz BXTBBPUXRSYYGH-UHFFFAOYSA-N 1 0 447.539 2.997 50 0 IFAARO CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000003553024 132266016 /nfs/dbraw/zinc/26/60/16/132266016.db2.gz YLXJOFDLKOXOKC-UHFFFAOYSA-N 1 0 436.965 2.594 50 0 IFAARO Cc1nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(N2CCOCC2)c1C ZINC000006802077 132279127 /nfs/dbraw/zinc/27/91/27/132279127.db2.gz WODSLARPZXUUSQ-UHFFFAOYSA-N 1 0 429.590 2.514 50 0 IFAARO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936249 132280000 /nfs/dbraw/zinc/28/00/00/132280000.db2.gz QTEXHRBSNBCQPH-GOSISDBHSA-N 1 0 427.597 2.617 50 0 IFAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008994582 132300236 /nfs/dbraw/zinc/30/02/36/132300236.db2.gz YDAKGAFTAHSFTI-UHFFFAOYSA-N 1 0 443.500 2.503 50 0 IFAARO CC1CC[NH+](CCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009211126 132309005 /nfs/dbraw/zinc/30/90/05/132309005.db2.gz TUIBRTRLXAMDLS-LJQANCHMSA-N 1 0 439.608 2.617 50 0 IFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698014 132339263 /nfs/dbraw/zinc/33/92/63/132339263.db2.gz NSPLRUMOWOSLPL-UHFFFAOYSA-N 1 0 430.921 2.780 50 0 IFAARO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020566589 518704676 /nfs/dbraw/zinc/70/46/76/518704676.db2.gz ZTJBMVGUEXXISD-RLWLMLJZSA-N 1 0 446.551 2.797 50 0 IFAARO CC(C)OCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000012710562 519763414 /nfs/dbraw/zinc/76/34/14/519763414.db2.gz IXNLYLCNPHYHSQ-DEOSSOPVSA-N 1 0 437.584 2.940 50 0 IFAARO CCC[NH+]1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1 ZINC000020415745 519856128 /nfs/dbraw/zinc/85/61/28/519856128.db2.gz DGYAQKKUEHNWER-UHFFFAOYSA-N 1 0 443.551 2.954 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000035528947 519857726 /nfs/dbraw/zinc/85/77/26/519857726.db2.gz AAFYDSOBZDJGFE-UHFFFAOYSA-N 1 0 429.609 2.855 50 0 IFAARO CCCC(=O)N1CCC([C@]2(Cc3ccccc3C)NC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000012281113 519863109 /nfs/dbraw/zinc/86/31/09/519863109.db2.gz GBKXYNAHKHQBDR-VWLOTQADSA-N 1 0 442.604 2.819 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991258 520514885 /nfs/dbraw/zinc/51/48/85/520514885.db2.gz SXPAPQMLJDQAAB-QFIPXVFZSA-N 1 0 428.577 2.961 50 0 IFAARO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097636 520579237 /nfs/dbraw/zinc/57/92/37/520579237.db2.gz ZVDAOHKVZPXAGE-QFIPXVFZSA-N 1 0 428.529 2.873 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cccc(CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000035459339 520685089 /nfs/dbraw/zinc/68/50/89/520685089.db2.gz MLCOLPJUDLETCQ-QHCPKHFHSA-N 1 0 448.567 2.910 50 0 IFAARO CCCC[NH2+][C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012549166 520696473 /nfs/dbraw/zinc/69/64/73/520696473.db2.gz UQGGUKNWJRSDIW-NRFANRHFSA-N 1 0 431.558 2.777 50 0 IFAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000012761839 520977096 /nfs/dbraw/zinc/97/70/96/520977096.db2.gz MQXZMAMUULHEDG-JOCHJYFZSA-N 1 0 427.637 2.953 50 0 IFAARO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000012919139 521036819 /nfs/dbraw/zinc/03/68/19/521036819.db2.gz YTOFBJOXVUHVJU-OAHLLOKOSA-N 1 0 442.632 2.729 50 0 IFAARO CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020566941 521524748 /nfs/dbraw/zinc/52/47/48/521524748.db2.gz GRTDGWSJUICEMG-JOCHJYFZSA-N 1 0 446.551 2.751 50 0 IFAARO CCC[NH+](CCC)CCNC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000020847737 521646593 /nfs/dbraw/zinc/64/65/93/521646593.db2.gz JSLIDBUJZYIGEO-UHFFFAOYSA-N 1 0 431.924 2.943 50 0 IFAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(CNCc3c(F)cccc3F)cc2OC)CC1 ZINC000020993804 521685372 /nfs/dbraw/zinc/68/53/72/521685372.db2.gz FEAVHRADHHWUNP-LJQANCHMSA-N 1 0 449.542 2.640 50 0 IFAARO CC[NH+]1CCN(C[C@H](O)COc2ccc(CNCc3c(F)cccc3F)cc2OC)CC1 ZINC000020993808 521686771 /nfs/dbraw/zinc/68/67/71/521686771.db2.gz FEAVHRADHHWUNP-IBGZPJMESA-N 1 0 449.542 2.640 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000012746141 522011549 /nfs/dbraw/zinc/01/15/49/522011549.db2.gz ZLMOVGIPZNKOKB-SFHVURJKSA-N 1 0 439.578 2.707 50 0 IFAARO COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000022416445 522023577 /nfs/dbraw/zinc/02/35/77/522023577.db2.gz YKWAXNXZWVFNFZ-UHFFFAOYSA-N 1 0 435.322 2.865 50 0 IFAARO COc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012595724 522082720 /nfs/dbraw/zinc/08/27/20/522082720.db2.gz FTCIROMCYUYWME-KRWDZBQOSA-N 1 0 429.561 2.784 50 0 IFAARO COc1cc(C(=O)N[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCCC2)cc(OC)c1OC ZINC000021200303 522127411 /nfs/dbraw/zinc/12/74/11/522127411.db2.gz MPIXSNKPEDIXKW-INIZCTEOSA-N 1 0 435.565 2.602 50 0 IFAARO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012750604 522375537 /nfs/dbraw/zinc/37/55/37/522375537.db2.gz PFKNGVKVHKVLES-HSZRJFAPSA-N 1 0 447.620 2.755 50 0 IFAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O ZINC000012162602 522396523 /nfs/dbraw/zinc/39/65/23/522396523.db2.gz IOYHZNFMDKPNCH-GOSISDBHSA-N 1 0 449.555 2.861 50 0 IFAARO COc1cc(NC(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022766973 522695115 /nfs/dbraw/zinc/69/51/15/522695115.db2.gz QPOXRPGSORPGBN-QGZVFWFLSA-N 1 0 434.562 2.884 50 0 IFAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccn3-c3ccc(Cl)cn3)CC2)O1 ZINC000012212804 522763795 /nfs/dbraw/zinc/76/37/95/522763795.db2.gz ZAGIVMAYQIGDCZ-IBGZPJMESA-N 1 0 432.952 2.802 50 0 IFAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccn3-c3ccc(Cl)cn3)CC2)O1 ZINC000012212806 522765744 /nfs/dbraw/zinc/76/57/44/522765744.db2.gz ZAGIVMAYQIGDCZ-LJQANCHMSA-N 1 0 432.952 2.802 50 0 IFAARO COc1cc2nc(CSCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[nH]c(=O)c2cc1OC ZINC000012390120 523066702 /nfs/dbraw/zinc/06/67/02/523066702.db2.gz IGASZWZMUJKXED-UHFFFAOYSA-N 1 0 448.589 2.599 50 0 IFAARO CCn1c(C[NH2+][C@H](C)c2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012540724 523197218 /nfs/dbraw/zinc/19/72/18/523197218.db2.gz MZPLRDHLAVUYLY-OAHLLOKOSA-N 1 0 434.587 2.989 50 0 IFAARO CCn1c2ccccc2n(CC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)c(=O)c1=O ZINC000021944051 523279138 /nfs/dbraw/zinc/27/91/38/523279138.db2.gz KCFGHMXIKIXCMH-UHFFFAOYSA-N 1 0 448.567 2.520 50 0 IFAARO CCn1nc(C)c(CN2CCOc3ccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)cc3C2)c1C ZINC000091506133 523642767 /nfs/dbraw/zinc/64/27/67/523642767.db2.gz OTDYTUYLOYZDMK-FQEVSTJZSA-N 1 0 425.577 2.612 50 0 IFAARO COc1ccc(C(=O)NCc2nnc(SCC[NH+](C)C)n2-c2cccc(OC)c2)cc1 ZINC000012148750 523717031 /nfs/dbraw/zinc/71/70/31/523717031.db2.gz SIKXWOHBVQWCPD-UHFFFAOYSA-N 1 0 441.557 2.868 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(nc2OC)CCC3)CC1 ZINC000012718951 523812407 /nfs/dbraw/zinc/81/24/07/523812407.db2.gz LARCDFOEYBRIFW-FQEVSTJZSA-N 1 0 431.577 2.559 50 0 IFAARO Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c2ccccc2c1=O ZINC000012537347 523925304 /nfs/dbraw/zinc/92/53/04/523925304.db2.gz QSSIAPREFWKCBD-UHFFFAOYSA-N 1 0 445.445 2.956 50 0 IFAARO CCc1ccc(N2CC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000035429161 523965272 /nfs/dbraw/zinc/96/52/72/523965272.db2.gz WSSDOHTYDOIQMR-DEOSSOPVSA-N 1 0 434.584 2.930 50 0 IFAARO CCc1ccc(OCCOC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022916654 524007152 /nfs/dbraw/zinc/00/71/52/524007152.db2.gz SQILLQOPDSGXSC-JOCHJYFZSA-N 1 0 442.556 2.552 50 0 IFAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(C)cc2)cc1 ZINC000021534218 524010794 /nfs/dbraw/zinc/01/07/94/524010794.db2.gz HBGXVZHJLLGBQM-UHFFFAOYSA-N 1 0 429.586 2.570 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@]32c3cccc(C)c3NC2=O)cc1 ZINC000035363891 524020289 /nfs/dbraw/zinc/02/02/89/524020289.db2.gz SWVRIMJCONVLAH-UVPKRVSESA-N 1 0 433.508 2.580 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C ZINC000020912940 524039761 /nfs/dbraw/zinc/03/97/61/524039761.db2.gz RKTYCODTUIGACX-GOSISDBHSA-N 1 0 434.544 2.848 50 0 IFAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C ZINC000020455285 524476452 /nfs/dbraw/zinc/47/64/52/524476452.db2.gz ZQVSBWUEWMCMKV-UHFFFAOYSA-N 1 0 433.556 2.691 50 0 IFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCCN2CCOCC2)c1 ZINC000012570436 524926848 /nfs/dbraw/zinc/92/68/48/524926848.db2.gz WHXTXDLDWMZZOQ-UHFFFAOYSA-N 1 0 445.604 2.933 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795645 525180395 /nfs/dbraw/zinc/18/03/95/525180395.db2.gz MVWFESRPYJMWEO-OAQYLSRUSA-N 1 0 444.963 2.700 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795631 525180410 /nfs/dbraw/zinc/18/04/10/525180410.db2.gz KVINUJBPMQBAMM-JOCHJYFZSA-N 1 0 438.572 2.664 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[C@H](C)[NH+]3CCCC3)s2)cc1 ZINC000032987498 525261359 /nfs/dbraw/zinc/26/13/59/525261359.db2.gz NEGSUUPTQIGUTN-INIZCTEOSA-N 1 0 431.562 2.606 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000012809513 525517995 /nfs/dbraw/zinc/51/79/95/525517995.db2.gz PIOANVXAHAEHFE-JOCHJYFZSA-N 1 0 429.586 2.815 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023627202 525523203 /nfs/dbraw/zinc/52/32/03/525523203.db2.gz LUMLKGKXZRLLBP-QFIPXVFZSA-N 1 0 427.570 2.758 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020517958 525557827 /nfs/dbraw/zinc/55/78/27/525557827.db2.gz MMUQSQNTUYTBPE-DLRJPAPCSA-N 1 0 433.961 2.756 50 0 IFAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022796649 525759808 /nfs/dbraw/zinc/75/98/08/525759808.db2.gz PVAWDZYQGMWHAN-HXUWFJFHSA-N 1 0 432.927 2.831 50 0 IFAARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1 ZINC000012283340 525954815 /nfs/dbraw/zinc/95/48/15/525954815.db2.gz AWRQAAITSNCDNS-QGZVFWFLSA-N 1 0 435.528 2.845 50 0 IFAARO COc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1 ZINC000012283343 525955295 /nfs/dbraw/zinc/95/52/95/525955295.db2.gz AWRQAAITSNCDNS-KRWDZBQOSA-N 1 0 435.528 2.845 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021933970 526307650 /nfs/dbraw/zinc/30/76/50/526307650.db2.gz NCVJBQNZEWWIAN-UHFFFAOYSA-N 1 0 429.952 2.798 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc3ccccc31)CC2)c1cccnc1 ZINC000020598547 526465335 /nfs/dbraw/zinc/46/53/35/526465335.db2.gz RDAUNYSFQZVSAY-UHFFFAOYSA-N 1 0 426.524 2.857 50 0 IFAARO O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012471412 526864910 /nfs/dbraw/zinc/86/49/10/526864910.db2.gz WDTXDAJEVKRZIN-UHFFFAOYSA-N 1 0 439.507 2.999 50 0 IFAARO O=C(c1noc2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)cc21)N1CCCC1 ZINC000035461568 526930216 /nfs/dbraw/zinc/93/02/16/526930216.db2.gz LSWRKKOIJHNVKE-UHFFFAOYSA-N 1 0 446.573 2.703 50 0 IFAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012338183 526984037 /nfs/dbraw/zinc/98/40/37/526984037.db2.gz FPJBRDGHMNCPMH-UHFFFAOYSA-N 1 0 444.539 2.555 50 0 IFAARO Cn1c(=O)cc(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)n(C)c1=O ZINC000022916897 527028704 /nfs/dbraw/zinc/02/87/04/527028704.db2.gz IKISKVHLAFMVNZ-UHFFFAOYSA-N 1 0 444.988 2.784 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(SCCN2CCOCC2)nc1 ZINC000021663566 527530468 /nfs/dbraw/zinc/53/04/68/527530468.db2.gz IVIRLTKLKXGAHY-UHFFFAOYSA-N 1 0 440.613 2.900 50 0 IFAARO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000071889510 555725283 /nfs/dbraw/zinc/72/52/83/555725283.db2.gz DGVXQTULXUMZTO-UHFFFAOYSA-N 1 0 435.503 2.746 50 0 IFAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000002419211 555777444 /nfs/dbraw/zinc/77/74/44/555777444.db2.gz GXQFJILSFNVXPG-MRXNPFEDSA-N 1 0 433.302 2.931 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)c1csc(CN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000034682449 555816402 /nfs/dbraw/zinc/81/64/02/555816402.db2.gz HMSXEMDFDJMOAZ-UHFFFAOYSA-N 1 0 431.581 2.820 50 0 IFAARO CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000009076159 556245020 /nfs/dbraw/zinc/24/50/20/556245020.db2.gz PJSMLXNHQZCQEP-QFIPXVFZSA-N 1 0 435.524 2.749 50 0 IFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1 ZINC000009194367 556254571 /nfs/dbraw/zinc/25/45/71/556254571.db2.gz POIBNAXVESVWBM-UHFFFAOYSA-N 1 0 445.907 2.803 50 0 IFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1 ZINC000009194420 556254580 /nfs/dbraw/zinc/25/45/80/556254580.db2.gz SVKVRSPPWGRJGZ-UHFFFAOYSA-N 1 0 445.907 2.803 50 0 IFAARO COc1ccc(-c2cc3ccc(OCC(=O)NCC[NH+](C)C)cc3oc2=O)cc1OC ZINC000013719106 556288655 /nfs/dbraw/zinc/28/86/55/556288655.db2.gz SPTXNHLQCNNBDB-UHFFFAOYSA-N 1 0 426.469 2.534 50 0 IFAARO C[NH+](C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013719837 556288987 /nfs/dbraw/zinc/28/89/87/556288987.db2.gz GAERXPPJDBKCHH-UHFFFAOYSA-N 1 0 433.486 2.902 50 0 IFAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736215 556297863 /nfs/dbraw/zinc/29/78/63/556297863.db2.gz GAZMZZFXSPJMGF-UHFFFAOYSA-N 1 0 438.532 2.665 50 0 IFAARO COc1cc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000009678755 556305882 /nfs/dbraw/zinc/30/58/82/556305882.db2.gz NVZGKEUBGLWHMZ-UHFFFAOYSA-N 1 0 442.556 2.946 50 0 IFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761331 556331633 /nfs/dbraw/zinc/33/16/33/556331633.db2.gz IJWMSYXUGFWSMN-SJLPKXTDSA-N 1 0 441.553 2.826 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1 ZINC000011767930 556349753 /nfs/dbraw/zinc/34/97/53/556349753.db2.gz LIRZYXDCLOCGRY-HXUWFJFHSA-N 1 0 447.583 2.786 50 0 IFAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000011786989 556353808 /nfs/dbraw/zinc/35/38/08/556353808.db2.gz JVQXWUFRTKCKGY-OAQYLSRUSA-N 1 0 436.560 2.734 50 0 IFAARO O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011820347 556362412 /nfs/dbraw/zinc/36/24/12/556362412.db2.gz WORYKARJQBKPCQ-NRFANRHFSA-N 1 0 449.599 2.922 50 0 IFAARO Cc1cc(C)n(C[C@H](C)N2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)n1 ZINC000011820459 556362526 /nfs/dbraw/zinc/36/25/26/556362526.db2.gz UTUPLQGFCDYWJN-NRFANRHFSA-N 1 0 438.620 2.776 50 0 IFAARO C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]32)NC(=S)N1 ZINC000011966021 556381804 /nfs/dbraw/zinc/38/18/04/556381804.db2.gz RVZQUQBVFJDXBU-YJMBLLCNSA-N 1 0 428.646 2.947 50 0 IFAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](CCCc1ccccc1)CC2 ZINC000012037373 556390179 /nfs/dbraw/zinc/39/01/79/556390179.db2.gz XXLLUHHJKUKYQG-UHFFFAOYSA-N 1 0 435.547 2.810 50 0 IFAARO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000012039026 556390455 /nfs/dbraw/zinc/39/04/55/556390455.db2.gz CRXCOSTXDODVHR-JOCHJYFZSA-N 1 0 448.527 2.587 50 0 IFAARO O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012076778 556397932 /nfs/dbraw/zinc/39/79/32/556397932.db2.gz GWZBBQCBAQCWRK-QHCPKHFHSA-N 1 0 427.589 2.823 50 0 IFAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+]([C@@H](C)CSC)CC2)C1=O ZINC000014533467 556421837 /nfs/dbraw/zinc/42/18/37/556421837.db2.gz IEWGNLBPVDGSHI-SFHVURJKSA-N 1 0 449.617 2.734 50 0 IFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](CCCSC)CC2 ZINC000014533565 556422031 /nfs/dbraw/zinc/42/20/31/556422031.db2.gz FRTCHRKJESQSRP-UHFFFAOYSA-N 1 0 435.590 2.694 50 0 IFAARO COc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014536536 556423740 /nfs/dbraw/zinc/42/37/40/556423740.db2.gz GOOVECYYJXLHJB-IBGZPJMESA-N 1 0 426.561 2.667 50 0 IFAARO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(OC)c1 ZINC000032848061 556430546 /nfs/dbraw/zinc/43/05/46/556430546.db2.gz KYRPFYYSDMHLJK-OAQYLSRUSA-N 1 0 431.558 2.941 50 0 IFAARO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1C(F)(F)F ZINC000013010314 556435701 /nfs/dbraw/zinc/43/57/01/556435701.db2.gz QVLLOXMHRPEQQV-UHFFFAOYSA-N 1 0 426.439 2.813 50 0 IFAARO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](C2CCCC2)C1 ZINC000014744268 556440061 /nfs/dbraw/zinc/44/00/61/556440061.db2.gz YEZIKEHPHUKPLC-QFIPXVFZSA-N 1 0 431.577 2.536 50 0 IFAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]cn3)C[N@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443731 /nfs/dbraw/zinc/44/37/31/556443731.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 1 0 433.556 2.989 50 0 IFAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+]([C@H](C)CCn2cccn2)CC3)cc1 ZINC000014753955 556444483 /nfs/dbraw/zinc/44/44/83/556444483.db2.gz GBTOIEHPTOSXOB-LJQANCHMSA-N 1 0 439.560 2.642 50 0 IFAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000014884604 556454683 /nfs/dbraw/zinc/45/46/83/556454683.db2.gz ARXPSUKZKSTLHD-UHFFFAOYSA-N 1 0 433.556 2.691 50 0 IFAARO COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000014948839 556460289 /nfs/dbraw/zinc/46/02/89/556460289.db2.gz CKWYFLHMJBGWJF-GOSISDBHSA-N 1 0 431.577 2.889 50 0 IFAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000014961456 556464238 /nfs/dbraw/zinc/46/42/38/556464238.db2.gz SYFFXSMEESGNKJ-UHFFFAOYSA-N 1 0 435.547 2.994 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000014978417 556469652 /nfs/dbraw/zinc/46/96/52/556469652.db2.gz WKBKZFFMNSTCKU-GOSISDBHSA-N 1 0 429.561 2.689 50 0 IFAARO COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H]([NH+](C)C)C4)c3C)ncc1CC2 ZINC000014987786 556473296 /nfs/dbraw/zinc/47/32/96/556473296.db2.gz CXPYOCGUVKOHIF-GOSISDBHSA-N 1 0 432.528 2.521 50 0 IFAARO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@@H+](Cc2ccccc2OC)CC3)c1 ZINC000014989814 556474374 /nfs/dbraw/zinc/47/43/74/556474374.db2.gz MQLFKJANWXOHEU-KRWDZBQOSA-N 1 0 435.528 2.845 50 0 IFAARO O=C(c1cn([C@@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990943 556475086 /nfs/dbraw/zinc/47/50/86/556475086.db2.gz KDXYJWDBCVIYHJ-HSZRJFAPSA-N 1 0 436.604 2.858 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc4c(c2)CCO4)CC3)CC1 ZINC000014991844 556475530 /nfs/dbraw/zinc/47/55/30/556475530.db2.gz GOPBNCURESFQAX-HXUWFJFHSA-N 1 0 427.545 2.524 50 0 IFAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000072286674 556478671 /nfs/dbraw/zinc/47/86/71/556478671.db2.gz GUJXRCHJXAGPQO-WWOZWPLTSA-N 1 0 428.602 2.893 50 0 IFAARO COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2=O)cc1OC ZINC000013130958 556480077 /nfs/dbraw/zinc/48/00/77/556480077.db2.gz NBHBYWWKRXIEAH-SFTDATJTSA-N 1 0 439.556 2.514 50 0 IFAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000015004569 556481246 /nfs/dbraw/zinc/48/12/46/556481246.db2.gz GCAMTECWBGQFFQ-JOCHJYFZSA-N 1 0 437.540 2.771 50 0 IFAARO COc1cccc(-n2c(CNC(=O)[C@@H]3CCOC(C)(C)C3)nnc2SCC[NH+](C)C)c1 ZINC000015006064 556481655 /nfs/dbraw/zinc/48/16/55/556481655.db2.gz WSIWNHZUZFLPLP-MRXNPFEDSA-N 1 0 447.605 2.751 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000029766049 556481859 /nfs/dbraw/zinc/48/18/59/556481859.db2.gz USQCXTDLIRKUAK-QGZVFWFLSA-N 1 0 448.614 2.539 50 0 IFAARO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Cl ZINC000072289517 556483855 /nfs/dbraw/zinc/48/38/55/556483855.db2.gz MDQAGVIRVRKKJF-RWMBFGLXSA-N 1 0 436.405 2.998 50 0 IFAARO COc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCC(C)CC3)c2C(F)(F)F)nn1 ZINC000030565003 556498125 /nfs/dbraw/zinc/49/81/25/556498125.db2.gz ZCELVHDBSWFGLU-UHFFFAOYSA-N 1 0 426.443 2.542 50 0 IFAARO O=C(c1ccc[n+]([O-])c1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015075130 556498910 /nfs/dbraw/zinc/49/89/10/556498910.db2.gz CSSBTQQLLXYEIB-QFIPXVFZSA-N 1 0 427.520 2.993 50 0 IFAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000032899236 556528273 /nfs/dbraw/zinc/52/82/73/556528273.db2.gz UOWMCJOYSXIYAX-IAGOWNOFSA-N 1 0 449.548 2.856 50 0 IFAARO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000072304580 556548821 /nfs/dbraw/zinc/54/88/21/556548821.db2.gz WWAIIBUIIFMDAN-IBGZPJMESA-N 1 0 441.601 2.976 50 0 IFAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000033326817 556561697 /nfs/dbraw/zinc/56/16/97/556561697.db2.gz VFFACCADLYIZEZ-UHFFFAOYSA-N 1 0 446.939 2.638 50 0 IFAARO CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)C[C@@H]1CCC[N@@H+]1CC ZINC000072308754 556567323 /nfs/dbraw/zinc/56/73/23/556567323.db2.gz JRYNNMNUFPUTRL-INIZCTEOSA-N 1 0 439.578 2.603 50 0 IFAARO Cc1cc(C(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000072308747 556567507 /nfs/dbraw/zinc/56/75/07/556567507.db2.gz JHOHVSDHIQXHKH-FCHUYYIVSA-N 1 0 443.613 2.854 50 0 IFAARO COc1ccc(-n2ncc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2C(F)(F)F)nn1 ZINC000032909267 556573092 /nfs/dbraw/zinc/57/30/92/556573092.db2.gz UZUXWTSYSSMWLA-OAHLLOKOSA-N 1 0 434.422 2.722 50 0 IFAARO COc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2C(F)(F)F)nn1 ZINC000032909268 556573098 /nfs/dbraw/zinc/57/30/98/556573098.db2.gz UZUXWTSYSSMWLA-HNNXBMFYSA-N 1 0 434.422 2.722 50 0 IFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016012342 556574296 /nfs/dbraw/zinc/57/42/96/556574296.db2.gz MKVIUFCNDICNIX-MSZDEVHKSA-N 1 0 429.520 2.982 50 0 IFAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021944 556575463 /nfs/dbraw/zinc/57/54/63/556575463.db2.gz UZPHEAGMUZZUDX-RGKFVRLKSA-N 1 0 437.927 2.959 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022264 556575612 /nfs/dbraw/zinc/57/56/12/556575612.db2.gz QKWYHISIVFQWLP-MFCZKXCZSA-N 1 0 434.334 2.626 50 0 IFAARO COc1cc(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000032974271 556596531 /nfs/dbraw/zinc/59/65/31/556596531.db2.gz SKMJIVYPIPDHJR-UHFFFAOYSA-N 1 0 447.576 2.557 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C(C)C)c1 ZINC000032986428 556606083 /nfs/dbraw/zinc/60/60/83/556606083.db2.gz NEBZSJIUDGVDKL-REWPJTCUSA-N 1 0 439.556 2.849 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000032987007 556606741 /nfs/dbraw/zinc/60/67/41/556606741.db2.gz QABDQIGNEPYCAI-UHFFFAOYSA-N 1 0 449.602 2.634 50 0 IFAARO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000097938300 556634256 /nfs/dbraw/zinc/63/42/56/556634256.db2.gz ROUPTFBKBHNDTI-UHFFFAOYSA-N 1 0 436.556 2.886 50 0 IFAARO COc1cccc(-c2ccc(=O)n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000040287025 556634731 /nfs/dbraw/zinc/63/47/31/556634731.db2.gz BIURMVWYGBCROT-UHFFFAOYSA-N 1 0 432.524 2.700 50 0 IFAARO Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCC[NH+]3CCCCC3)c2=O)cc1 ZINC000097938432 556634755 /nfs/dbraw/zinc/63/47/55/556634755.db2.gz FGAZLKUUNHBNON-UHFFFAOYSA-N 1 0 425.533 2.711 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000409414600 556639776 /nfs/dbraw/zinc/63/97/76/556639776.db2.gz NEUDBCYODBUKHN-TUNNFDKTSA-N 1 0 431.577 2.758 50 0 IFAARO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720797 556646864 /nfs/dbraw/zinc/64/68/64/556646864.db2.gz CXESVZYXAVQJMI-UHFFFAOYSA-N 1 0 427.545 2.833 50 0 IFAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C[C@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722015 556648056 /nfs/dbraw/zinc/64/80/56/556648056.db2.gz MBHLQFCSGCUVLA-LOSJGSFVSA-N 1 0 447.535 2.813 50 0 IFAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C ZINC000011880827 556668278 /nfs/dbraw/zinc/66/82/78/556668278.db2.gz VCLQAWRPGWRFJO-IBGZPJMESA-N 1 0 427.549 2.941 50 0 IFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 ZINC000032931453 556675460 /nfs/dbraw/zinc/67/54/60/556675460.db2.gz RHJPCVMXCZWSIB-LJQANCHMSA-N 1 0 441.597 2.895 50 0 IFAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 ZINC000011998611 556679632 /nfs/dbraw/zinc/67/96/32/556679632.db2.gz YTFPHWKTYMZTCX-LJQANCHMSA-N 1 0 445.541 2.549 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)[NH2+][C@@]12C(=O)Nc1c2cccc1C ZINC000248328309 556679961 /nfs/dbraw/zinc/67/99/61/556679961.db2.gz BQDLWEHAVJYOKK-ORIGJIQFSA-N 1 0 429.904 2.802 50 0 IFAARO COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)c1 ZINC000045966742 556688841 /nfs/dbraw/zinc/68/88/41/556688841.db2.gz VLNNXRYJHSUNPN-LJQANCHMSA-N 1 0 439.556 2.772 50 0 IFAARO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1 ZINC000045966728 556688857 /nfs/dbraw/zinc/68/88/57/556688857.db2.gz FWJBRDWVNKAZKQ-IBGZPJMESA-N 1 0 436.556 2.713 50 0 IFAARO COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)c1 ZINC000045966740 556688862 /nfs/dbraw/zinc/68/88/62/556688862.db2.gz VLNNXRYJHSUNPN-IBGZPJMESA-N 1 0 439.556 2.772 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCC3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033349 556714095 /nfs/dbraw/zinc/71/40/95/556714095.db2.gz YORJYKRJGTVKHM-UHFFFAOYSA-N 1 0 442.585 2.750 50 0 IFAARO CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000033034034 556715198 /nfs/dbraw/zinc/71/51/98/556715198.db2.gz XFWAOJQTXNEJGT-QGZVFWFLSA-N 1 0 430.574 2.734 50 0 IFAARO CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1 ZINC000033034009 556715224 /nfs/dbraw/zinc/71/52/24/556715224.db2.gz GNRPVCHAJGPVMV-QGZVFWFLSA-N 1 0 430.574 2.734 50 0 IFAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000033034179 556715602 /nfs/dbraw/zinc/71/56/02/556715602.db2.gz WOEDFRBIZBPVHK-UHFFFAOYSA-N 1 0 436.965 2.609 50 0 IFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033034208 556716338 /nfs/dbraw/zinc/71/63/38/556716338.db2.gz GJXDDJPDSTXXBA-UHFFFAOYSA-N 1 0 430.574 2.654 50 0 IFAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)CC1 ZINC000055245136 556738697 /nfs/dbraw/zinc/73/86/97/556738697.db2.gz ZCIMBUORWUHLGO-IBGZPJMESA-N 1 0 431.540 2.658 50 0 IFAARO CC[N@H+](CCCNC(=O)CN(C)c1nnc(N2CCCCC2=O)s1)Cc1ccccc1 ZINC000033048546 556745293 /nfs/dbraw/zinc/74/52/93/556745293.db2.gz BGJQSQVKVPRNTP-UHFFFAOYSA-N 1 0 444.605 2.520 50 0 IFAARO COc1cccc(C[C@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n2nnnc2C)c1 ZINC000058004735 556752264 /nfs/dbraw/zinc/75/22/64/556752264.db2.gz QCXHJXQNGSKBND-HSZRJFAPSA-N 1 0 440.592 2.889 50 0 IFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000061997583 556763763 /nfs/dbraw/zinc/76/37/63/556763763.db2.gz DOWVCTKRIAKAPM-PBQROFAYSA-N 1 0 431.492 2.743 50 0 IFAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000061997747 556764124 /nfs/dbraw/zinc/76/41/24/556764124.db2.gz DUCDUPOOEQNADY-PBQROFAYSA-N 1 0 431.492 2.743 50 0 IFAARO O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058167929 556767078 /nfs/dbraw/zinc/76/70/78/556767078.db2.gz OOFROAOSUPSVCJ-NZQKXSOJSA-N 1 0 433.556 2.635 50 0 IFAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000058170350 556768036 /nfs/dbraw/zinc/76/80/36/556768036.db2.gz WWGWTZRJEKKJSU-JOCHJYFZSA-N 1 0 435.616 2.973 50 0 IFAARO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[NH+]2CCCC2)o1 ZINC000058307641 556779358 /nfs/dbraw/zinc/77/93/58/556779358.db2.gz VKUNGYINBAMXCC-HKUYNNGSSA-N 1 0 439.512 2.665 50 0 IFAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000058897656 556792820 /nfs/dbraw/zinc/79/28/20/556792820.db2.gz QGRDJUPDTWBDNS-UHFFFAOYSA-N 1 0 431.558 2.770 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064814536 556827553 /nfs/dbraw/zinc/82/75/53/556827553.db2.gz JPXJTRSOYGYLKW-UHFFFAOYSA-N 1 0 437.516 2.564 50 0 IFAARO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000067612889 556844424 /nfs/dbraw/zinc/84/44/24/556844424.db2.gz QTUTZBBPZAWZJM-UHFFFAOYSA-N 1 0 428.493 2.574 50 0 IFAARO O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128871 556866134 /nfs/dbraw/zinc/86/61/34/556866134.db2.gz XPOKVIWPFOMMMP-HXUWFJFHSA-N 1 0 425.552 2.766 50 0 IFAARO CC[NH+]1CCN(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)CC1 ZINC000019835739 556928128 /nfs/dbraw/zinc/92/81/28/556928128.db2.gz QYGBFBQFKJRWHE-NRFANRHFSA-N 1 0 425.577 2.648 50 0 IFAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1cccnc1 ZINC000019872459 556935487 /nfs/dbraw/zinc/93/54/87/556935487.db2.gz MLKDZVOLWNDBFM-UHFFFAOYSA-N 1 0 436.350 2.854 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019888807 556938482 /nfs/dbraw/zinc/93/84/82/556938482.db2.gz ZBWUZBMGAZTKSW-UHFFFAOYSA-N 1 0 429.586 2.666 50 0 IFAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)[nH+]1 ZINC000072434286 556972347 /nfs/dbraw/zinc/97/23/47/556972347.db2.gz PNPDMFZDJPUDRM-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO CCc1ccc(N2CCC([NH2+]C3CN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 ZINC000097095485 556984109 /nfs/dbraw/zinc/98/41/09/556984109.db2.gz VEDCBQPQIXSFSP-UHFFFAOYSA-N 1 0 429.586 2.889 50 0 IFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000020109695 556984760 /nfs/dbraw/zinc/98/47/60/556984760.db2.gz PZNRZTRXERHAJQ-VQTJNVASSA-N 1 0 432.948 2.988 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283425 557005416 /nfs/dbraw/zinc/00/54/16/557005416.db2.gz JOJGFLLLLDLUJC-JOCHJYFZSA-N 1 0 426.561 2.808 50 0 IFAARO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC([NH+](C)C)CC1 ZINC000072027693 557022215 /nfs/dbraw/zinc/02/22/15/557022215.db2.gz ZUYJGIHWJZGSGZ-QGZVFWFLSA-N 1 0 442.423 2.853 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[NH+]3CCCCCC3)n2C)c1 ZINC000046023085 557022960 /nfs/dbraw/zinc/02/29/60/557022960.db2.gz XVFNGJCLIDOIKE-UHFFFAOYSA-N 1 0 434.606 2.815 50 0 IFAARO Cc1cc(=O)oc2cc(OCC(=O)NCC3([NH+]4CCN(C)CC4)CCCCC3)ccc12 ZINC000022933420 557051268 /nfs/dbraw/zinc/05/12/68/557051268.db2.gz DAHIMCZUUHEKPL-UHFFFAOYSA-N 1 0 427.545 2.547 50 0 IFAARO Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCC[NH+](C)C)cc3)n2)cc1 ZINC000033273536 557051766 /nfs/dbraw/zinc/05/17/66/557051766.db2.gz WGDOLDHTYNRPRB-UHFFFAOYSA-N 1 0 435.528 2.651 50 0 IFAARO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[NH+]1CCCC1 ZINC000048288358 557054039 /nfs/dbraw/zinc/05/40/39/557054039.db2.gz VVXYVOZPHQQLIO-HXUWFJFHSA-N 1 0 425.533 2.885 50 0 IFAARO CCOc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017308076 557054348 /nfs/dbraw/zinc/05/43/48/557054348.db2.gz OARUMALAMKTLNK-UHFFFAOYSA-N 1 0 445.589 2.685 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033275455 557054400 /nfs/dbraw/zinc/05/44/00/557054400.db2.gz JBMCVRHXIAURHV-UHFFFAOYSA-N 1 0 444.601 2.962 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)c1ccccc1 ZINC000048302623 557064065 /nfs/dbraw/zinc/06/40/65/557064065.db2.gz MNXXLNRTUYOERM-JOCHJYFZSA-N 1 0 432.524 2.823 50 0 IFAARO O=c1cnc2ccccc2n1CCS(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000048312863 557067296 /nfs/dbraw/zinc/06/72/96/557067296.db2.gz QLJIFRKIFDTLBH-UHFFFAOYSA-N 1 0 440.569 2.502 50 0 IFAARO CCc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnn1-c1ccc(OC)nn1 ZINC000048353774 557072363 /nfs/dbraw/zinc/07/23/63/557072363.db2.gz VDDFXJWLJFAUBO-UHFFFAOYSA-N 1 0 426.565 2.962 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000048375023 557076407 /nfs/dbraw/zinc/07/64/07/557076407.db2.gz MNYWZSXBBHNLQT-QZTJIDSGSA-N 1 0 426.561 2.645 50 0 IFAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC000023340447 557085992 /nfs/dbraw/zinc/08/59/92/557085992.db2.gz GDPUNTVXAXEYBQ-UHFFFAOYSA-N 1 0 442.629 2.611 50 0 IFAARO Cc1nc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc(N2CCCC2)[nH+]1 ZINC000049025927 557087952 /nfs/dbraw/zinc/08/79/52/557087952.db2.gz NUTOHWZQLGTTRD-UHFFFAOYSA-N 1 0 435.507 2.877 50 0 IFAARO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000023421613 557091757 /nfs/dbraw/zinc/09/17/57/557091757.db2.gz WAWQHKUBVNXNJB-UHFFFAOYSA-N 1 0 434.389 2.605 50 0 IFAARO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1ccccc1 ZINC000023700552 557107598 /nfs/dbraw/zinc/10/75/98/557107598.db2.gz NKVZUMGQCPARKU-UHFFFAOYSA-N 1 0 435.977 2.695 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000409414611 557110062 /nfs/dbraw/zinc/11/00/62/557110062.db2.gz NIKKGYQHKSLTQW-FCHUYYIVSA-N 1 0 429.609 2.823 50 0 IFAARO O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004790204 557120551 /nfs/dbraw/zinc/12/05/51/557120551.db2.gz FGTYHTILNSWBDG-UHFFFAOYSA-N 1 0 440.569 2.702 50 0 IFAARO O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024602098 557152830 /nfs/dbraw/zinc/15/28/30/557152830.db2.gz OUHBJMWOJLWDJY-UHFFFAOYSA-N 1 0 430.487 2.977 50 0 IFAARO COC(=O)c1ccc2c(c1)[nH]c(=O)n(C[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c2=O ZINC000024939744 557181516 /nfs/dbraw/zinc/18/15/16/557181516.db2.gz IVDJRYFRYKOPCI-OAQYLSRUSA-N 1 0 437.496 2.712 50 0 IFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583647594 557241299 /nfs/dbraw/zinc/24/12/99/557241299.db2.gz NIKKGYQHKSLTQW-FGZHOGPDSA-N 1 0 429.609 2.823 50 0 IFAARO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027336244 557260525 /nfs/dbraw/zinc/26/05/25/557260525.db2.gz PAHPPURGXCMPJB-OAHLLOKOSA-N 1 0 436.438 2.849 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000101490858 557288243 /nfs/dbraw/zinc/28/82/43/557288243.db2.gz VCSIXMQSIXAOHY-HXUWFJFHSA-N 1 0 437.496 2.774 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000101542071 557291135 /nfs/dbraw/zinc/29/11/35/557291135.db2.gz YWXSBLWPYAOGPT-NRFANRHFSA-N 1 0 440.569 2.737 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000103581356 557316684 /nfs/dbraw/zinc/31/66/84/557316684.db2.gz HUSYJKPYFMYEPF-PEBXRYMYSA-N 1 0 430.455 2.763 50 0 IFAARO COc1cc(NC(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc(OC)c1OC ZINC000011697847 557394947 /nfs/dbraw/zinc/39/49/47/557394947.db2.gz JMLKFYQLWNUGSV-UHFFFAOYSA-N 1 0 439.476 2.875 50 0 IFAARO COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000036684926 557519588 /nfs/dbraw/zinc/51/95/88/557519588.db2.gz MSDFYVJPJVDZKI-QFIPXVFZSA-N 1 0 445.585 2.707 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1C ZINC000045974471 557556388 /nfs/dbraw/zinc/55/63/88/557556388.db2.gz AYZCJADRPTUTPT-FQEVSTJZSA-N 1 0 429.586 2.530 50 0 IFAARO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229892464 557833660 /nfs/dbraw/zinc/83/36/60/557833660.db2.gz ZBMSHHNCKGMYTQ-FBAVSBLXSA-N 1 0 425.847 2.910 50 0 IFAARO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1CC[NH2+]C(C)C ZINC000003826691 557851651 /nfs/dbraw/zinc/85/16/51/557851651.db2.gz LNHWXBUNXOXMRL-VWLOTQADSA-N 1 0 433.508 2.620 50 0 in-man IFAARO O=C(C[S@@](=O)Cc1ccco1)NC/C=C\COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000004654795 562943479 /nfs/dbraw/zinc/94/34/79/562943479.db2.gz KMZQAVXSMUKBPD-FQRQDQBPSA-N 1 0 431.558 2.661 50 0 in-man IFAARO CN(CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009691296 562975552 /nfs/dbraw/zinc/97/55/52/562975552.db2.gz AXZDBYBAGOKSGK-HXUWFJFHSA-N 1 0 435.977 2.914 50 0 IFAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3nc(C)cs3)nc1=O)CCC2 ZINC000009746212 562976506 /nfs/dbraw/zinc/97/65/06/562976506.db2.gz ZHPIFILCQGUSQS-UHFFFAOYSA-N 1 0 435.619 2.960 50 0 IFAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000012982596 562983748 /nfs/dbraw/zinc/98/37/48/562983748.db2.gz PWHNMFSJULETFA-FQEVSTJZSA-N 1 0 433.574 2.908 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCC[NH+]1CCCCCC1)nc2C ZINC000015943113 563019987 /nfs/dbraw/zinc/01/99/87/563019987.db2.gz DSBKCNFPYZQEFA-IBGZPJMESA-N 1 0 436.560 2.752 50 0 IFAARO Cc1ccc(-c2noc(CCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000020155653 563023878 /nfs/dbraw/zinc/02/38/78/563023878.db2.gz ROVVYVHPFBDPLO-UHFFFAOYSA-N 1 0 433.556 2.912 50 0 IFAARO O=C(CCc1ccccc1)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000015064047 568635197 /nfs/dbraw/zinc/63/51/97/568635197.db2.gz QGTIWFRODBMMGO-QHCPKHFHSA-N 1 0 427.589 2.617 50 0 IFAARO Cn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000253612899 568644124 /nfs/dbraw/zinc/64/41/24/568644124.db2.gz IODXUQAOGVHRQO-NRFANRHFSA-N 1 0 445.567 2.770 50 0 IFAARO CCCCCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000005865470 568738167 /nfs/dbraw/zinc/73/81/67/568738167.db2.gz LCUFANHWUZZHKB-UHFFFAOYSA-N 1 0 428.581 2.832 50 0 IFAARO COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCC[NH+](C)C)c2-c2ccco2)n1 ZINC000299762392 568755973 /nfs/dbraw/zinc/75/59/73/568755973.db2.gz VUOPKWGOMHGKIE-UHFFFAOYSA-N 1 0 432.484 2.889 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC ZINC000299783351 568757206 /nfs/dbraw/zinc/75/72/06/568757206.db2.gz ZRNGVOOQQAICKJ-OAHLLOKOSA-N 1 0 426.546 2.751 50 0 IFAARO COc1cccc(-c2cc3n(n2)[C@H](NCCC[N@@H+]2CCc4ccccc4C2)CNC3=O)c1 ZINC000263615646 568776212 /nfs/dbraw/zinc/77/62/12/568776212.db2.gz DKHDZFBTKLPXKU-DEOSSOPVSA-N 1 0 431.540 2.839 50 0 IFAARO O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000084535865 568798652 /nfs/dbraw/zinc/79/86/52/568798652.db2.gz ALVCIIDTNGGTRL-PKOBYXMFSA-N 1 0 426.542 2.730 50 0 IFAARO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000015679031 568805345 /nfs/dbraw/zinc/80/53/45/568805345.db2.gz LQMJMOQQFLPNNH-LJQANCHMSA-N 1 0 427.549 2.954 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000583652910 568837664 /nfs/dbraw/zinc/83/76/64/568837664.db2.gz XQNNTLJCYWXRQB-MZKRTTBSSA-N 1 0 443.588 2.788 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000583652909 568837731 /nfs/dbraw/zinc/83/77/31/568837731.db2.gz XQNNTLJCYWXRQB-JTAQYXEDSA-N 1 0 443.588 2.788 50 0 IFAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000006143177 568845587 /nfs/dbraw/zinc/84/55/87/568845587.db2.gz APXUUQCRCDOSDQ-UHFFFAOYSA-N 1 0 431.558 2.842 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]21 ZINC000015957835 568860278 /nfs/dbraw/zinc/86/02/78/568860278.db2.gz DDJZRHFVVWKTGI-GHCZAOPSSA-N 1 0 435.549 2.982 50 0 IFAARO COc1ccc(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CC[NH+](C)CC2)cc1 ZINC000575443894 568869853 /nfs/dbraw/zinc/86/98/53/568869853.db2.gz SVQKJTIAIWFROT-UHFFFAOYSA-N 1 0 431.544 2.905 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1csc2ccccc21 ZINC000575622432 568883227 /nfs/dbraw/zinc/88/32/27/568883227.db2.gz YSYBZFJYBWBCSQ-KRWDZBQOSA-N 1 0 425.510 2.665 50 0 IFAARO C[N@@H+]1CCN(CCCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@@H](c2ccccc2)C1 ZINC000229785258 568887021 /nfs/dbraw/zinc/88/70/21/568887021.db2.gz ODUWBHODAFGELK-HXUWFJFHSA-N 1 0 442.995 2.839 50 0 IFAARO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000013008194 568899564 /nfs/dbraw/zinc/89/95/64/568899564.db2.gz HFUNYNKWXQZYOO-AREMUKBSSA-N 1 0 446.551 2.794 50 0 IFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000013012955 568901236 /nfs/dbraw/zinc/90/12/36/568901236.db2.gz KXJMCMDAQWRQKX-DEOSSOPVSA-N 1 0 440.519 2.751 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000524729538 568903794 /nfs/dbraw/zinc/90/37/94/568903794.db2.gz XSQJJYSUMVENMR-FDFHNCONSA-N 1 0 429.609 2.823 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000245245548 568913307 /nfs/dbraw/zinc/91/33/07/568913307.db2.gz DAOJFFLKJUBXET-FCQWJQKHSA-N 1 0 425.485 2.504 50 0 IFAARO CN(CC(=O)NCC[NH+](C)C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704339 568944585 /nfs/dbraw/zinc/94/45/85/568944585.db2.gz VMPFBIQKPSOSEI-UHFFFAOYSA-N 1 0 429.594 2.782 50 0 IFAARO COc1ccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000064836039 568969175 /nfs/dbraw/zinc/96/91/75/568969175.db2.gz RHIMPPUUXWFBAO-UHFFFAOYSA-N 1 0 443.507 2.852 50 0 IFAARO Cn1c2c(C(=O)NCc3ccc(F)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836031 568969238 /nfs/dbraw/zinc/96/92/38/568969238.db2.gz PLRNYUFHEVXNNU-UHFFFAOYSA-N 1 0 445.498 2.660 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036254963 568984841 /nfs/dbraw/zinc/98/48/41/568984841.db2.gz MXVWPLYGKGKYQY-HSZRJFAPSA-N 1 0 444.595 2.744 50 0 IFAARO COCCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678672 568989933 /nfs/dbraw/zinc/98/99/33/568989933.db2.gz WKZUHOYJWDCEEH-UPVQGACJSA-N 1 0 441.547 2.850 50 0 IFAARO CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)cc21 ZINC000064952239 568996927 /nfs/dbraw/zinc/99/69/27/568996927.db2.gz ABNLBZSKQGVVPC-UHFFFAOYSA-N 1 0 425.620 2.936 50 0 IFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341766 569079037 /nfs/dbraw/zinc/07/90/37/569079037.db2.gz WXHJZPJJBHFRAQ-OAQYLSRUSA-N 1 0 438.503 2.870 50 0 IFAARO Cc1ccc(-n2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998343 569085135 /nfs/dbraw/zinc/08/51/35/569085135.db2.gz DCRSGJCQEJCJSV-UHFFFAOYSA-N 1 0 434.544 2.518 50 0 IFAARO CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)CC1 ZINC000065023716 569089486 /nfs/dbraw/zinc/08/94/86/569089486.db2.gz BTLHSQZJJBJSAK-QFIPXVFZSA-N 1 0 436.604 2.504 50 0 IFAARO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[NH+]2CCCCC2)cc1 ZINC000013112705 569092621 /nfs/dbraw/zinc/09/26/21/569092621.db2.gz KZGOWISMUYBLAA-JOCHJYFZSA-N 1 0 445.585 2.903 50 0 IFAARO C[NH+]1CCN(CCNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)CC1 ZINC000065061179 569096434 /nfs/dbraw/zinc/09/64/34/569096434.db2.gz XOPLPWDPNXLWNJ-UHFFFAOYSA-N 1 0 425.964 2.951 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)cc1 ZINC000065074662 569099007 /nfs/dbraw/zinc/09/90/07/569099007.db2.gz DOCAOVCHTGKTTF-UHFFFAOYSA-N 1 0 448.539 2.588 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2C)cc1 ZINC000065074870 569099284 /nfs/dbraw/zinc/09/92/84/569099284.db2.gz SIRZRSLHOKPYDF-UHFFFAOYSA-N 1 0 440.613 2.872 50 0 IFAARO Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cccc(F)c2)c1 ZINC000065074895 569099324 /nfs/dbraw/zinc/09/93/24/569099324.db2.gz ATFMDDGLRZKXES-UHFFFAOYSA-N 1 0 444.576 2.757 50 0 IFAARO Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NCC[C@H](C)[NH+]3CCCCCC3)n2)cc1 ZINC000065117391 569107626 /nfs/dbraw/zinc/10/76/26/569107626.db2.gz BKXKRKLWYUBKEZ-SFHVURJKSA-N 1 0 448.589 2.779 50 0 IFAARO O=C(NCCC[NH+]1CCCCCC1)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1 ZINC000065111842 569107785 /nfs/dbraw/zinc/10/77/85/569107785.db2.gz GPQZALXTNHKTJJ-UHFFFAOYSA-N 1 0 433.896 2.675 50 0 IFAARO CC[N@H+](CCCNC(=O)c1nc(Cn2c3cc(C)ccc3oc2=O)no1)Cc1ccccc1 ZINC000065111759 569107796 /nfs/dbraw/zinc/10/77/96/569107796.db2.gz IXRVNRQRHQGHAU-UHFFFAOYSA-N 1 0 449.511 2.976 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)OCO3)C[N@H+](Cc1ccccc1)CC2 ZINC000065153572 569111999 /nfs/dbraw/zinc/11/19/99/569111999.db2.gz DSFSEDQFGPJCEE-UHFFFAOYSA-N 1 0 446.507 2.731 50 0 IFAARO O=C(NCc1cnn(-c2ccc(C(=O)N3CC[NH+](C4CCCC4)CC3)cc2)c1)C1CCC1 ZINC000065213289 569116862 /nfs/dbraw/zinc/11/68/62/569116862.db2.gz TZCVRAPDBCEYNG-UHFFFAOYSA-N 1 0 435.572 2.989 50 0 IFAARO COc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)o2)cc1 ZINC000065229797 569118244 /nfs/dbraw/zinc/11/82/44/569118244.db2.gz USDFERPWYYCRRQ-KRWDZBQOSA-N 1 0 427.549 2.952 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259842 569124828 /nfs/dbraw/zinc/12/48/28/569124828.db2.gz HPMDXGAAGUPMJB-OAQYLSRUSA-N 1 0 448.633 2.645 50 0 IFAARO O=C(C[C@@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCCn1ccnc1 ZINC000524729924 569125904 /nfs/dbraw/zinc/12/59/04/569125904.db2.gz OLPZCFZKMKIMLP-MRXNPFEDSA-N 1 0 447.447 2.762 50 0 IFAARO C[NH+]1CCC(NC(=O)CCn2c3nn(Cc4ccccc4)cc3c(C(F)F)cc2=O)CC1 ZINC000036621310 569126087 /nfs/dbraw/zinc/12/60/87/569126087.db2.gz SFPAJQZWRRNIJJ-UHFFFAOYSA-N 1 0 443.498 2.784 50 0 IFAARO CSCC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732289 569126785 /nfs/dbraw/zinc/12/67/85/569126785.db2.gz HBXRLONHYIOHGZ-KRWDZBQOSA-N 1 0 432.590 2.822 50 0 IFAARO O=C(Cn1cnc2c1nc(Cl)nc2N1CCCCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524732260 569126822 /nfs/dbraw/zinc/12/68/22/569126822.db2.gz YUDSSZHGDFLSOG-DLBZAZTESA-N 1 0 445.999 2.851 50 0 IFAARO COc1cccc([C@@H](CNC(=O)[C@@](N)(c2cccc(OC)c2)C(F)(F)F)[NH+](C)C)c1 ZINC000170607845 569144468 /nfs/dbraw/zinc/14/44/68/569144468.db2.gz XQEUTWSQYUMDLX-QUCCMNQESA-N 1 0 425.451 2.839 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000010217828 569153369 /nfs/dbraw/zinc/15/33/69/569153369.db2.gz RDCRFRAVTVFIAV-FXAWDEMLSA-N 1 0 449.548 2.773 50 0 IFAARO O=C(OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1COC(=O)C1CCOCC1)C1CCOCC1 ZINC000089834852 569165369 /nfs/dbraw/zinc/16/53/69/569165369.db2.gz YVRXWIBPAUYXMU-ZRZAMGCNSA-N 1 0 445.556 2.674 50 0 IFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)C2)cc1 ZINC000009211342 569175201 /nfs/dbraw/zinc/17/52/01/569175201.db2.gz LORHSSFMCXPPBY-IBGZPJMESA-N 1 0 429.524 2.825 50 0 IFAARO Cc1cn([C@@H](C)C(=O)NCC[NH+](C)C)/c(=N/C(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000037427974 569195872 /nfs/dbraw/zinc/19/58/72/569195872.db2.gz UEJVJBZEQNMNAQ-ZBIUUBHZSA-N 1 0 428.480 2.857 50 0 IFAARO C[NH+](C)CCNC(=O)[C@@H](c1ccccc1)n1ccs/c1=N\C(=O)c1ccccc1F ZINC000037436678 569196113 /nfs/dbraw/zinc/19/61/13/569196113.db2.gz PABQXQRKIVXREL-IPQBESIJSA-N 1 0 426.517 2.697 50 0 IFAARO Cc1cs/c(=N\C(=O)c2ccc(F)cc2)n1Cc1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000037437608 569196280 /nfs/dbraw/zinc/19/62/80/569196280.db2.gz OKSVPGSHMNCZCF-FLFQWRMESA-N 1 0 430.505 2.671 50 0 IFAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCC2(CC1)OCCO2 ZINC000002215988 569203540 /nfs/dbraw/zinc/20/35/40/569203540.db2.gz NJQSBEZOWSMZHZ-UHFFFAOYSA-N 1 0 431.489 2.521 50 0 IFAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1 ZINC000581819727 569211466 /nfs/dbraw/zinc/21/14/66/569211466.db2.gz FJEGDQSDASDUDS-QHCPKHFHSA-N 1 0 428.621 2.978 50 0 IFAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000581820156 569211793 /nfs/dbraw/zinc/21/17/93/569211793.db2.gz VOPLVWGVFNSJAA-OAQYLSRUSA-N 1 0 430.593 2.518 50 0 IFAARO CCOC(=O)c1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000253412407 569265851 /nfs/dbraw/zinc/26/58/51/569265851.db2.gz QXTHXPYIMNKLNG-QKNQBKEWSA-N 1 0 427.545 2.597 50 0 IFAARO CCN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CC[NH+](C)C)C1 ZINC000002434908 569303633 /nfs/dbraw/zinc/30/36/33/569303633.db2.gz QSCMYERFZPSJJZ-UHFFFAOYSA-N 1 0 432.977 2.807 50 0 IFAARO O=C(CSc1nnnn1-c1cccc(Cl)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012980160 569305877 /nfs/dbraw/zinc/30/58/77/569305877.db2.gz BGKMWDXXVUXLJG-KRWDZBQOSA-N 1 0 428.949 2.799 50 0 IFAARO CCCCn1c(N)c(N(CCC(C)C)C(=O)C[NH2+][C@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000013096345 569309594 /nfs/dbraw/zinc/30/95/94/569309594.db2.gz XWHJQMWOBHQEAL-QGZVFWFLSA-N 1 0 429.565 2.649 50 0 IFAARO C[NH+](C)CCn1cc(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cn1 ZINC000078927999 569320231 /nfs/dbraw/zinc/32/02/31/569320231.db2.gz NPSZEOSHMLATFR-VWLOTQADSA-N 1 0 427.368 2.734 50 0 IFAARO COC(=O)[C@]1(NC(=O)C2=Cc3cccc(OC)c3OC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071327 569324560 /nfs/dbraw/zinc/32/45/60/569324560.db2.gz GGAJSSZRQFSCPT-VWLOTQADSA-N 1 0 436.508 2.795 50 0 IFAARO COC(=O)[C@@]1(NC(=O)C2=Cc3cccc(OC)c3OC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071319 569324611 /nfs/dbraw/zinc/32/46/11/569324611.db2.gz GGAJSSZRQFSCPT-RUZDIDTESA-N 1 0 436.508 2.795 50 0 IFAARO CCOC(=O)c1ccc(NC(=S)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020153927 569353538 /nfs/dbraw/zinc/35/35/38/569353538.db2.gz YEIQGWPQENEAGF-UHFFFAOYSA-N 1 0 426.586 2.968 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214045 569356491 /nfs/dbraw/zinc/35/64/91/569356491.db2.gz UGVYJNRRDPDBTH-MGPUTAFESA-N 1 0 434.968 2.927 50 0 IFAARO O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020355024 569361247 /nfs/dbraw/zinc/36/12/47/569361247.db2.gz OKKWYZJOVRUQNB-UHFFFAOYSA-N 1 0 445.567 2.859 50 0 IFAARO Cc1ccc([C@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cccs2)cc1 ZINC000095347357 569361549 /nfs/dbraw/zinc/36/15/49/569361549.db2.gz PMDSZJCWIVUGQQ-DEOSSOPVSA-N 1 0 440.613 2.502 50 0 IFAARO Cc1ccc([C@@H]([NH2+]CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cccs2)cc1 ZINC000095347358 569361558 /nfs/dbraw/zinc/36/15/58/569361558.db2.gz PMDSZJCWIVUGQQ-XMMPIXPASA-N 1 0 440.613 2.502 50 0 IFAARO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000095430479 569366155 /nfs/dbraw/zinc/36/61/55/569366155.db2.gz NCSHHLFIFHJFRV-WIYYLYMNSA-N 1 0 430.593 2.952 50 0 IFAARO C[NH+](C)CCOc1cc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000095448404 569367600 /nfs/dbraw/zinc/36/76/00/569367600.db2.gz ICJFSNROCMZAIY-QGZVFWFLSA-N 1 0 447.333 2.776 50 0 IFAARO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 ZINC000095456450 569368845 /nfs/dbraw/zinc/36/88/45/569368845.db2.gz LDBZECHJLWZJSG-OAQYLSRUSA-N 1 0 443.569 2.584 50 0 IFAARO C[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482554 569374430 /nfs/dbraw/zinc/37/44/30/569374430.db2.gz NLORHLNCSFNJRJ-GOSISDBHSA-N 1 0 445.585 2.631 50 0 IFAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096007010 569379523 /nfs/dbraw/zinc/37/95/23/569379523.db2.gz UGIBKTXPGLZFFC-DEOSSOPVSA-N 1 0 435.568 2.812 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096343938 569396896 /nfs/dbraw/zinc/39/68/96/569396896.db2.gz IJLNOAFZQBDOTE-QGZVFWFLSA-N 1 0 435.503 2.836 50 0 IFAARO O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000096385837 569398320 /nfs/dbraw/zinc/39/83/20/569398320.db2.gz ITULYSKFSXCFFG-UHFFFAOYSA-N 1 0 445.498 2.501 50 0 IFAARO Cc1cc(C)c2c(n1)nc(C(=O)N1CC[NH+](CC(C)C)CC1)nc2N1CCSCC1 ZINC000096396814 569399233 /nfs/dbraw/zinc/39/92/33/569399233.db2.gz FMFVAFXYHICGCK-UHFFFAOYSA-N 1 0 428.606 2.609 50 0 IFAARO O=C(C[C@@H]1CSc2ccccc2NC1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000096592601 569401920 /nfs/dbraw/zinc/40/19/20/569401920.db2.gz JWGGCGVEMUYLCG-HXUWFJFHSA-N 1 0 438.597 2.671 50 0 IFAARO CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000056939979 569427762 /nfs/dbraw/zinc/42/77/62/569427762.db2.gz IPOHOZZWDRZKLG-UHFFFAOYSA-N 1 0 436.487 2.871 50 0 IFAARO C[N@H+](CCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)Cc1ccccc1 ZINC000003046182 569438724 /nfs/dbraw/zinc/43/87/24/569438724.db2.gz ICQQRPNXZZLVJF-QHCPKHFHSA-N 1 0 431.540 2.652 50 0 IFAARO CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000003455833 569451788 /nfs/dbraw/zinc/45/17/88/569451788.db2.gz DKUISOPCFWNMRO-UHFFFAOYSA-N 1 0 446.411 2.551 50 0 IFAARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000003543033 569453682 /nfs/dbraw/zinc/45/36/82/569453682.db2.gz YLRGYKRQDVEQGK-CQSZACIVSA-N 1 0 425.514 2.874 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000031339747 569456068 /nfs/dbraw/zinc/45/60/68/569456068.db2.gz LZMIDOVCSOEZPP-HXUWFJFHSA-N 1 0 447.626 2.632 50 0 IFAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@@H](C)O1 ZINC000031413558 569456404 /nfs/dbraw/zinc/45/64/04/569456404.db2.gz DXNUTDYWHJQKHE-OPYAIIAOSA-N 1 0 425.529 2.554 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-n2cnnn2)ccc1Br ZINC000032102230 569460154 /nfs/dbraw/zinc/46/01/54/569460154.db2.gz XAYUJDWPOZTQHY-UHFFFAOYSA-N 1 0 441.333 2.819 50 0 IFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)C(c2ccccc2)c2ccccc2)[nH+]1 ZINC000038488295 569462990 /nfs/dbraw/zinc/46/29/90/569462990.db2.gz PSDAMMCJPZWAPN-UHFFFAOYSA-N 1 0 431.540 2.982 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000067287274 569467269 /nfs/dbraw/zinc/46/72/69/569467269.db2.gz DZRATKYHBLYJOL-JOCHJYFZSA-N 1 0 444.551 2.947 50 0 IFAARO CC[NH+](CC)CCn1c(C)c(C)n2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000008706152 569470471 /nfs/dbraw/zinc/47/04/71/569470471.db2.gz IPWDDGRLHWHVLL-SDNWHVSQSA-N 1 0 448.571 2.821 50 0 IFAARO Cc1c(C)n(-c2ccccc2C)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000008710232 569470866 /nfs/dbraw/zinc/47/08/66/569470866.db2.gz SLZDHBONBMJJCV-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000040017880 569482645 /nfs/dbraw/zinc/48/26/45/569482645.db2.gz OYBAKLFFMGJPGL-KRWDZBQOSA-N 1 0 427.570 2.566 50 0 IFAARO COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)[NH+]2CCCC2)cc1 ZINC000008895475 569483793 /nfs/dbraw/zinc/48/37/93/569483793.db2.gz PVALIBQTMCQQLG-JOCHJYFZSA-N 1 0 443.569 2.802 50 0 IFAARO Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040092533 569487495 /nfs/dbraw/zinc/48/74/95/569487495.db2.gz FAVCPRIUODZUHU-SFHVURJKSA-N 1 0 438.498 2.596 50 0 IFAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000040107640 569488483 /nfs/dbraw/zinc/48/84/83/569488483.db2.gz IVOAYJFCCJUYAW-UHFFFAOYSA-N 1 0 445.585 2.659 50 0 IFAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCn1nnc2ccccc2c1=O ZINC000040142754 569491893 /nfs/dbraw/zinc/49/18/93/569491893.db2.gz VILMOHKJCUXQEX-JOCHJYFZSA-N 1 0 433.556 2.771 50 0 IFAARO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc(C(C)C)nc21 ZINC000040146758 569492354 /nfs/dbraw/zinc/49/23/54/569492354.db2.gz BDONJYRNUMUOSU-IRXDYDNUSA-N 1 0 443.592 2.716 50 0 IFAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008990320 569495009 /nfs/dbraw/zinc/49/50/09/569495009.db2.gz RHULORXCTPLGBP-UHFFFAOYSA-N 1 0 448.571 2.638 50 0 IFAARO CCCC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450362 569506285 /nfs/dbraw/zinc/50/62/85/569506285.db2.gz LYYRJTOLFQCRPY-UHFFFAOYSA-N 1 0 446.411 2.758 50 0 IFAARO C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000069569927 569507390 /nfs/dbraw/zinc/50/73/90/569507390.db2.gz KCGHMMOJZYXEQA-KYLIDDIDSA-N 1 0 445.541 2.829 50 0 IFAARO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000009216837 569512198 /nfs/dbraw/zinc/51/21/98/569512198.db2.gz YTVYEGLKIAZKSM-SFHVURJKSA-N 1 0 447.557 2.640 50 0 IFAARO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069818574 569520041 /nfs/dbraw/zinc/52/00/41/569520041.db2.gz WPUIZMLQUSQRQV-UHFFFAOYSA-N 1 0 435.503 2.746 50 0 IFAARO CC(C)[C@H](CNC(=O)COc1cccc(S(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000070040832 569529395 /nfs/dbraw/zinc/52/93/95/569529395.db2.gz GJXSNTLWYOVUEP-QFIPXVFZSA-N 1 0 430.570 2.668 50 0 IFAARO CCCCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714056 569562706 /nfs/dbraw/zinc/56/27/06/569562706.db2.gz VVGRWADFOYIBSL-UHFFFAOYSA-N 1 0 438.576 2.553 50 0 IFAARO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000009723400 569563602 /nfs/dbraw/zinc/56/36/02/569563602.db2.gz TYCUCMYWALTASJ-QZTJIDSGSA-N 1 0 445.608 2.707 50 0 IFAARO COc1cccc([C@H](C[NH2+]C[C@H](O)CN2CCOCC2)c2c[nH]c3ccccc32)c1OC ZINC000009729825 569564351 /nfs/dbraw/zinc/56/43/51/569564351.db2.gz KAVXKBBNRLRKNZ-RXVVDRJESA-N 1 0 439.556 2.600 50 0 IFAARO CCN(CC)c1ccc2nnc(CCC(=O)NC[C@@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2n1 ZINC000009742726 569565414 /nfs/dbraw/zinc/56/54/14/569565414.db2.gz QZZCIOVTBQOSGL-NRFANRHFSA-N 1 0 449.603 2.850 50 0 IFAARO CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000009745827 569565715 /nfs/dbraw/zinc/56/57/15/569565715.db2.gz SOQBFXKVXLXKRG-UHFFFAOYSA-N 1 0 428.558 2.617 50 0 IFAARO CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009747349 569565846 /nfs/dbraw/zinc/56/58/46/569565846.db2.gz PKCMQYOQBOTVOC-UHFFFAOYSA-N 1 0 428.558 2.617 50 0 IFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009788837 569568029 /nfs/dbraw/zinc/56/80/29/569568029.db2.gz CXWDIMCDEPUUQU-HXUWFJFHSA-N 1 0 439.537 2.762 50 0 IFAARO Cc1nn(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(=O)c2cc3sccc3n21 ZINC000009848505 569571260 /nfs/dbraw/zinc/57/12/60/569571260.db2.gz QYJMINGJINWJIX-UHFFFAOYSA-N 1 0 435.553 2.584 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)C1 ZINC000009860829 569571903 /nfs/dbraw/zinc/57/19/03/569571903.db2.gz UDOGNDZKYGLRSR-IBGZPJMESA-N 1 0 433.556 2.621 50 0 IFAARO O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009860812 569571946 /nfs/dbraw/zinc/57/19/46/569571946.db2.gz OQBGKXYDNSVNGP-UHFFFAOYSA-N 1 0 445.567 2.859 50 0 IFAARO CCOc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000009971457 569576252 /nfs/dbraw/zinc/57/62/52/569576252.db2.gz DREGDJAZILKIPW-LJQANCHMSA-N 1 0 440.496 2.735 50 0 IFAARO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)C(c1ccccc1)c1ccccc1 ZINC000009980783 569576501 /nfs/dbraw/zinc/57/65/01/569576501.db2.gz MUBYQNPVZPSVMP-QHCPKHFHSA-N 1 0 435.568 2.805 50 0 IFAARO Cc1c(C)n(-c2cc(C)ccc2C)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000010271885 569580085 /nfs/dbraw/zinc/58/00/85/569580085.db2.gz BKUKTBCNFWZOGB-UHFFFAOYSA-N 1 0 448.571 2.858 50 0 IFAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000077104327 569585655 /nfs/dbraw/zinc/58/56/55/569585655.db2.gz DOFIQPLQXQTQSH-UHFFFAOYSA-N 1 0 440.569 2.809 50 0 IFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2OC)C3)CC1 ZINC000008608705 132287838 /nfs/dbraw/zinc/28/78/38/132287838.db2.gz DQADECKTPQQHHY-UHFFFAOYSA-N 1 0 441.576 2.593 50 0 IFAARO Cc1ccc2[nH]c3c(cnn(CC(=O)Nc4ccccc4N4CC[NH+](C)CC4)c3=O)c2c1 ZINC000009225972 132309916 /nfs/dbraw/zinc/30/99/16/132309916.db2.gz MSIBZQWOCQCDLD-UHFFFAOYSA-N 1 0 430.512 2.577 50 0 IFAARO CCCC[N@H+](CCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21)Cc1ccco1 ZINC000009227708 132309935 /nfs/dbraw/zinc/30/99/35/132309935.db2.gz BPMOPAAEXRZRRI-UHFFFAOYSA-N 1 0 441.532 2.993 50 0 IFAARO Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000009672634 132325192 /nfs/dbraw/zinc/32/51/92/132325192.db2.gz YBPYEVYCSUSTEO-UHFFFAOYSA-N 1 0 437.573 2.762 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3CCC4(CC3)OCCO4)cc12 ZINC000013138605 132345768 /nfs/dbraw/zinc/34/57/68/132345768.db2.gz CSXAEIRJUAUVCL-UHFFFAOYSA-N 1 0 441.601 2.831 50 0 IFAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012125487 518444403 /nfs/dbraw/zinc/44/44/03/518444403.db2.gz UXCWHQAMHRECCJ-DYTRJAOYSA-N 1 0 445.567 2.977 50 0 IFAARO CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000021650491 519702078 /nfs/dbraw/zinc/70/20/78/519702078.db2.gz OMLQCCOFDLIOHO-UHFFFAOYSA-N 1 0 438.576 2.568 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1 ZINC000020436001 519858244 /nfs/dbraw/zinc/85/82/44/519858244.db2.gz AIMXXWILLNYYIA-UHFFFAOYSA-N 1 0 447.626 2.850 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991232 520513582 /nfs/dbraw/zinc/51/35/82/520513582.db2.gz MWFLAMAJZBUEEP-GOSISDBHSA-N 1 0 441.359 2.754 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020565961 520562787 /nfs/dbraw/zinc/56/27/87/520562787.db2.gz QKWYHISIVFQWLP-ZKNHNOBHSA-N 1 0 434.334 2.626 50 0 IFAARO CCOC(=O)C1CC[NH+]([C@H](c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097640 520582363 /nfs/dbraw/zinc/58/23/63/520582363.db2.gz ZVDAOHKVZPXAGE-JOCHJYFZSA-N 1 0 428.529 2.873 50 0 IFAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000012473644 520711376 /nfs/dbraw/zinc/71/13/76/520711376.db2.gz CVBOLAANOZWAIG-UHFFFAOYSA-N 1 0 442.000 2.844 50 0 IFAARO CCOc1cc(C[NH2+]Cc2cccn2-c2nnc(N3CCN(C)CC3)s2)ccc1OC ZINC000021531673 520724430 /nfs/dbraw/zinc/72/44/30/520724430.db2.gz NPLVOWLLWOICRN-UHFFFAOYSA-N 1 0 442.589 2.778 50 0 IFAARO CC1=C(C(=O)N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)OCCO1 ZINC000012707651 520793040 /nfs/dbraw/zinc/79/30/40/520793040.db2.gz FRUFXPVAZYVYKU-QFIPXVFZSA-N 1 0 441.572 2.674 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)CN(c1ccccc1C)S(C)(=O)=O)Cc1ccccc1 ZINC000023197336 520862536 /nfs/dbraw/zinc/86/25/36/520862536.db2.gz BHTVAOCHTYJDMW-NRFANRHFSA-N 1 0 431.602 2.830 50 0 IFAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCCC3)C2)c1C ZINC000035422147 521378467 /nfs/dbraw/zinc/37/84/67/521378467.db2.gz YCPFZFGJMOGRTM-IBGZPJMESA-N 1 0 446.592 2.653 50 0 IFAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000020777221 521486607 /nfs/dbraw/zinc/48/66/07/521486607.db2.gz GQHMQOKSUZWVTB-UHFFFAOYSA-N 1 0 437.519 2.847 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1c2ccccc2N(C(=O)Nc2ccc(C)cc2)CC1=O ZINC000021943370 521654753 /nfs/dbraw/zinc/65/47/53/521654753.db2.gz RMUVUVISQJRAJE-FQEVSTJZSA-N 1 0 449.555 2.981 50 0 IFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCc1ccncc1)C2 ZINC000014541727 521664521 /nfs/dbraw/zinc/66/45/21/521664521.db2.gz FDSQEAQYUAENEX-LJQANCHMSA-N 1 0 427.618 2.957 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000020514896 521681020 /nfs/dbraw/zinc/68/10/20/521681020.db2.gz VBFVEIDAHYOPEI-GDLZYMKVSA-N 1 0 437.993 2.998 50 0 IFAARO CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nn2)CC1 ZINC000033261541 521698668 /nfs/dbraw/zinc/69/86/68/521698668.db2.gz NGVKZOUNQQIESQ-IBGZPJMESA-N 1 0 442.995 2.805 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)c(C)c2)CC1 ZINC000012522697 521699396 /nfs/dbraw/zinc/69/93/96/521699396.db2.gz BHQYIXHFEWSUKV-KRWDZBQOSA-N 1 0 448.564 2.582 50 0 IFAARO CCN1C[C@@H](CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1=O ZINC000012448651 521727504 /nfs/dbraw/zinc/72/75/04/521727504.db2.gz QJOFVWNBQKAJSK-LJQANCHMSA-N 1 0 436.556 2.723 50 0 IFAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000021664312 521747227 /nfs/dbraw/zinc/74/72/27/521747227.db2.gz DRGFMKDVHBGRLF-UHFFFAOYSA-N 1 0 444.601 2.845 50 0 IFAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCN(Cc1ccco1)C(=O)c1cnccn1 ZINC000035819388 521750759 /nfs/dbraw/zinc/75/07/59/521750759.db2.gz LGQIMLHABCMBHS-UHFFFAOYSA-N 1 0 435.528 2.693 50 0 IFAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000015958655 521798271 /nfs/dbraw/zinc/79/82/71/521798271.db2.gz NIYSKYYDTNLVOT-ZHSNQQFMSA-N 1 0 427.570 2.665 50 0 IFAARO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)cc1 ZINC000012386053 521928747 /nfs/dbraw/zinc/92/87/47/521928747.db2.gz KSKWVTMVPCJMDW-UHFFFAOYSA-N 1 0 427.501 2.507 50 0 IFAARO COCCn1ccc2nc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c1=O ZINC000021917088 522134003 /nfs/dbraw/zinc/13/40/03/522134003.db2.gz YKCXMIVXHMPKQN-UHFFFAOYSA-N 1 0 434.540 2.746 50 0 IFAARO COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012706950 522465570 /nfs/dbraw/zinc/46/55/70/522465570.db2.gz CAAQCHRDIVXRPM-MRXNPFEDSA-N 1 0 426.966 2.772 50 0 IFAARO CCc1nn(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000020862559 522702588 /nfs/dbraw/zinc/70/25/88/522702588.db2.gz VUDJGDDUSGRZKI-IYBDPMFKSA-N 1 0 429.590 2.757 50 0 IFAARO COCC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CN1CCOCC1 ZINC000035840685 523756681 /nfs/dbraw/zinc/75/66/81/523756681.db2.gz QLEWFDMMXUTFMH-RUZDIDTESA-N 1 0 443.632 2.975 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2cc(OC)ccc2OC)CC1 ZINC000012300838 523812093 /nfs/dbraw/zinc/81/20/93/523812093.db2.gz BXIBTQLGEJAVOX-JOCHJYFZSA-N 1 0 434.577 2.612 50 0 IFAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000012282449 523814889 /nfs/dbraw/zinc/81/48/89/523814889.db2.gz FOUDMGDPYKSYQY-SFHVURJKSA-N 1 0 428.577 2.565 50 0 IFAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CN1C(C)C ZINC000020600510 523913278 /nfs/dbraw/zinc/91/32/78/523913278.db2.gz OWACGOURLLOLAO-VWNXMTODSA-N 1 0 425.573 2.969 50 0 IFAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)CC1 ZINC000022766416 523919505 /nfs/dbraw/zinc/91/95/05/523919505.db2.gz SBIJAKCZYZJJNU-QGZVFWFLSA-N 1 0 440.491 2.810 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)Cc2ccccn2)CC1 ZINC000012307071 523926015 /nfs/dbraw/zinc/92/60/15/523926015.db2.gz UCTRXWNHHRDFMK-SFHVURJKSA-N 1 0 427.545 2.941 50 0 IFAARO CCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 ZINC000020598355 523928857 /nfs/dbraw/zinc/92/88/57/523928857.db2.gz DUESPPRGAXAUDZ-UHFFFAOYSA-N 1 0 425.508 2.532 50 0 IFAARO COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012588144 524008895 /nfs/dbraw/zinc/00/88/95/524008895.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 1 0 440.544 2.890 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000022698408 524012765 /nfs/dbraw/zinc/01/27/65/524012765.db2.gz AGBVBZCPKIYGRN-UHFFFAOYSA-N 1 0 429.590 2.849 50 0 IFAARO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000012750056 524035520 /nfs/dbraw/zinc/03/55/20/524035520.db2.gz ZDHHYWBDIWYEFN-UHFFFAOYSA-N 1 0 425.570 2.607 50 0 IFAARO Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000012274206 524148103 /nfs/dbraw/zinc/14/81/03/524148103.db2.gz RBXHWXTXPSWMMA-QGZVFWFLSA-N 1 0 437.573 2.842 50 0 IFAARO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000022796391 524278109 /nfs/dbraw/zinc/27/81/09/524278109.db2.gz WHDXLUCHGACONT-NRFANRHFSA-N 1 0 426.536 2.794 50 0 IFAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000021534417 524382263 /nfs/dbraw/zinc/38/22/63/524382263.db2.gz RCIZHEOAJLXVQF-UHFFFAOYSA-N 1 0 429.586 2.625 50 0 IFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000021534193 524402982 /nfs/dbraw/zinc/40/29/82/524402982.db2.gz RHXQUCABYIGBCL-UHFFFAOYSA-N 1 0 443.613 2.933 50 0 IFAARO COc1ccc(NC(=[NH2+])Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)c(OC)c1 ZINC000020503053 524450872 /nfs/dbraw/zinc/45/08/72/524450872.db2.gz JGPGFOKSIBZZIO-UHFFFAOYSA-N 1 0 433.519 2.698 50 0 IFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)s1 ZINC000020600674 524475927 /nfs/dbraw/zinc/47/59/27/524475927.db2.gz JCWJBFIFIDTAIE-KRWDZBQOSA-N 1 0 425.558 2.963 50 0 IFAARO Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3C[NH+](C)C)CC2)c1C ZINC000012765368 524591732 /nfs/dbraw/zinc/59/17/32/524591732.db2.gz LYRZZDMUBNGYHB-UHFFFAOYSA-N 1 0 437.588 2.831 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000012592005 525135492 /nfs/dbraw/zinc/13/54/92/525135492.db2.gz MVDPTALXYSNHHJ-QFIPXVFZSA-N 1 0 440.588 2.823 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CC[NH+](C)CC2)cc1 ZINC000022795617 525179485 /nfs/dbraw/zinc/17/94/85/525179485.db2.gz GQHSCVDSTBNXDM-OAQYLSRUSA-N 1 0 444.963 2.700 50 0 IFAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795624 525354237 /nfs/dbraw/zinc/35/42/37/525354237.db2.gz KVINUJBPMQBAMM-QFIPXVFZSA-N 1 0 438.572 2.664 50 0 IFAARO COc1ccc([C@]2(CC(=O)N3CC[NH+](C(C)C)CC3)CC(=O)N(CCC(C)C)C2=O)cc1 ZINC000020450732 525446560 /nfs/dbraw/zinc/44/65/60/525446560.db2.gz ZRFPHHLMJQLGQJ-VWLOTQADSA-N 1 0 443.588 2.681 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)cc1 ZINC000021534361 525510808 /nfs/dbraw/zinc/51/08/08/525510808.db2.gz MFPVXERCCIEWAH-UHFFFAOYSA-N 1 0 435.977 2.661 50 0 IFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000035872078 525551697 /nfs/dbraw/zinc/55/16/97/525551697.db2.gz AXDSFLYXYQDUEG-ISKFKSNPSA-N 1 0 439.531 2.556 50 0 IFAARO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020517960 525599512 /nfs/dbraw/zinc/59/95/12/525599512.db2.gz MMUQSQNTUYTBPE-VWXURSGXSA-N 1 0 433.961 2.756 50 0 IFAARO Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)no2)cc1C ZINC000036001628 525727356 /nfs/dbraw/zinc/72/73/56/525727356.db2.gz WCLWQSOKJZCJQZ-NRFANRHFSA-N 1 0 434.540 2.977 50 0 IFAARO COc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1c(F)cccc1Cl ZINC000040744448 526018044 /nfs/dbraw/zinc/01/80/44/526018044.db2.gz HQFNBEHYJKSUGF-UHFFFAOYSA-N 1 0 449.870 2.552 50 0 IFAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nc(N)n1 ZINC000012761691 526232478 /nfs/dbraw/zinc/23/24/78/526232478.db2.gz XJOKYWGKGNUMEG-QHCPKHFHSA-N 1 0 449.599 2.868 50 0 IFAARO Cc1nn(CCCC(=O)N2CC[NH+](C3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020866267 526278992 /nfs/dbraw/zinc/27/89/92/526278992.db2.gz GPWTWNQWUVNETE-UHFFFAOYSA-N 1 0 425.533 2.808 50 0 IFAARO O[C@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022916633 526283313 /nfs/dbraw/zinc/28/33/13/526283313.db2.gz OPLJEWIACRGGDY-FQEVSTJZSA-N 1 0 448.947 2.643 50 0 IFAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1 ZINC000012242903 526320038 /nfs/dbraw/zinc/32/00/38/526320038.db2.gz LGXYNFBWPNGUNI-UHFFFAOYSA-N 1 0 440.563 2.646 50 0 IFAARO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011933362 526496432 /nfs/dbraw/zinc/49/64/32/526496432.db2.gz RSDNVJPXOIQMOT-IBGZPJMESA-N 1 0 448.567 2.866 50 0 IFAARO O=C(c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000034830784 526644095 /nfs/dbraw/zinc/64/40/95/526644095.db2.gz KFQCRLNKBWIIDS-UHFFFAOYSA-N 1 0 439.535 2.769 50 0 IFAARO O=C(CCn1c(=O)c2cccn2c2cccnc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020512609 526666975 /nfs/dbraw/zinc/66/69/75/526666975.db2.gz XKGSPECRWQHNGM-UHFFFAOYSA-N 1 0 429.524 2.820 50 0 IFAARO O=S(=O)(NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000022875295 527227090 /nfs/dbraw/zinc/22/70/90/527227090.db2.gz NNZWRXTZFOMDNZ-XMMPIXPASA-N 1 0 436.581 2.919 50 0 IFAARO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000012796032 527448630 /nfs/dbraw/zinc/44/86/30/527448630.db2.gz YICQHEXMTRZNPP-UHFFFAOYSA-N 1 0 436.541 2.508 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021934013 527662050 /nfs/dbraw/zinc/66/20/50/527662050.db2.gz VOYUXOBIAGDRSC-UHFFFAOYSA-N 1 0 429.952 2.798 50 0 IFAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000002198527 555757191 /nfs/dbraw/zinc/75/71/91/555757191.db2.gz PNVIMXXNKKGLES-HXUWFJFHSA-N 1 0 438.480 2.926 50 0 IFAARO CN(C)c1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1CN(C(=O)c1ccco1)CC2 ZINC000034676789 555794587 /nfs/dbraw/zinc/79/45/87/555794587.db2.gz YGKWUKJQIFDXQN-UHFFFAOYSA-N 1 0 438.576 2.789 50 0 IFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)NC1CC1 ZINC000034708054 555822416 /nfs/dbraw/zinc/82/24/16/555822416.db2.gz DMMKQBOZBSEHCD-QHCPKHFHSA-N 1 0 428.529 2.878 50 0 IFAARO COc1cccc(C(=O)N2[C@H](C(=O)NC3CC[NH+](C)CC3)COC23CCC(C)CC3)c1 ZINC000034921155 555931480 /nfs/dbraw/zinc/93/14/80/555931480.db2.gz LOBOSVPKVFAUQT-LBVATQBMSA-N 1 0 429.561 2.653 50 0 IFAARO Cn1c2nc(SCC[NH+]3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000004103115 555962502 /nfs/dbraw/zinc/96/25/02/555962502.db2.gz FKZHXROWVQMDAU-UHFFFAOYSA-N 1 0 427.574 2.634 50 0 IFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccccc1Cl ZINC000009194377 556254433 /nfs/dbraw/zinc/25/44/33/556254433.db2.gz QKJORNYYIOTCCP-UHFFFAOYSA-N 1 0 445.907 2.803 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1c(F)cccc1Cl ZINC000009194475 556254477 /nfs/dbraw/zinc/25/44/77/556254477.db2.gz PJZCJNITGPAPGB-UHFFFAOYSA-N 1 0 449.870 2.552 50 0 IFAARO O=C(CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000032776707 556326899 /nfs/dbraw/zinc/32/68/99/556326899.db2.gz ODRWFKFATDFJFX-UHFFFAOYSA-N 1 0 447.505 2.961 50 0 IFAARO CCc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(OC)nn1 ZINC000032763156 556331561 /nfs/dbraw/zinc/33/15/61/556331561.db2.gz QKGXAMXUQVUVTB-QGZVFWFLSA-N 1 0 426.546 2.862 50 0 IFAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)cc1 ZINC000011782825 556351428 /nfs/dbraw/zinc/35/14/28/556351428.db2.gz PEOBRYCMRMMGBF-UXHICEINSA-N 1 0 428.529 2.614 50 0 IFAARO Cc1ccccc1[C@]1(CC(=O)N(C)C2CC[NH+](C)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790973 556355667 /nfs/dbraw/zinc/35/56/67/556355667.db2.gz ZTDLIIASWWVGRF-SANMLTNESA-N 1 0 448.567 2.530 50 0 IFAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000011841529 556365396 /nfs/dbraw/zinc/36/53/96/556365396.db2.gz VEISISKXBNQIDG-JXMROGBWSA-N 1 0 431.540 2.587 50 0 IFAARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000011881932 556373237 /nfs/dbraw/zinc/37/32/37/556373237.db2.gz NEQGEYPRCYACMP-GOSISDBHSA-N 1 0 435.528 2.601 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](CC(c1ccccc1)c1ccccc1)CC2)[C@@H]1CCOC1 ZINC000012035518 556389571 /nfs/dbraw/zinc/38/95/71/556389571.db2.gz XIYDTSXJSWISKU-JOCHJYFZSA-N 1 0 445.567 2.621 50 0 IFAARO COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCC[NH+]4CCCC4)c3C)ncc1CC2 ZINC000012037308 556390237 /nfs/dbraw/zinc/39/02/37/556390237.db2.gz DXWWZJBVLPBYOF-UHFFFAOYSA-N 1 0 432.528 2.571 50 0 IFAARO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000014247753 556407390 /nfs/dbraw/zinc/40/73/90/556407390.db2.gz WZHYIHLVTGQEFG-QFIPXVFZSA-N 1 0 445.585 2.709 50 0 IFAARO CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)C1=O ZINC000014249705 556408278 /nfs/dbraw/zinc/40/82/78/556408278.db2.gz DZZLPKAADXQUOX-RUZDIDTESA-N 1 0 434.540 2.756 50 0 IFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2 ZINC000014531904 556420645 /nfs/dbraw/zinc/42/06/45/556420645.db2.gz SOWPEYVPLLWVHE-SFHVURJKSA-N 1 0 434.606 2.511 50 0 IFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000014532706 556421324 /nfs/dbraw/zinc/42/13/24/556421324.db2.gz AADCOIJCIPBZIY-UHFFFAOYSA-N 1 0 426.492 2.666 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014538450 556424410 /nfs/dbraw/zinc/42/44/10/556424410.db2.gz MSGAGFZVUVTAMY-KRWDZBQOSA-N 1 0 432.515 2.937 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014541631 556425936 /nfs/dbraw/zinc/42/59/36/556425936.db2.gz RGBRGQCEYAJHNM-UHFFFAOYSA-N 1 0 436.556 2.960 50 0 IFAARO CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CCc2ccc(OC)cc2)c(C)n1 ZINC000014542349 556426146 /nfs/dbraw/zinc/42/61/46/556426146.db2.gz ZJMQXGATALZNSI-UHFFFAOYSA-N 1 0 439.560 2.691 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014731787 556436800 /nfs/dbraw/zinc/43/68/00/556436800.db2.gz WDOLOQIRLKHUQK-UHFFFAOYSA-N 1 0 432.590 2.613 50 0 IFAARO O=C1C[N@@H+](C2Cc3ccccc3C2)C[C@@H](OCc2ccccn2)CN1CC1CCOCC1 ZINC000014745749 556441136 /nfs/dbraw/zinc/44/11/36/556441136.db2.gz PORQEKLWYSNXIV-RUZDIDTESA-N 1 0 435.568 2.705 50 0 IFAARO Cc1cc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)no1 ZINC000028006439 556441541 /nfs/dbraw/zinc/44/15/41/556441541.db2.gz ZWBIKJMEBOWPNJ-UHFFFAOYSA-N 1 0 437.953 2.699 50 0 IFAARO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccc(O)c3)CC2)C1=O ZINC000014751517 556443698 /nfs/dbraw/zinc/44/36/98/556443698.db2.gz KFWTZKDEZUYQSG-UHFFFAOYSA-N 1 0 437.540 2.880 50 0 IFAARO COC(=O)c1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)cc1 ZINC000065237082 556447580 /nfs/dbraw/zinc/44/75/80/556447580.db2.gz YUVGYAVJNHYFOW-UHFFFAOYSA-N 1 0 441.557 2.672 50 0 IFAARO COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000014948835 556460271 /nfs/dbraw/zinc/46/02/71/556460271.db2.gz CKWYFLHMJBGWJF-SFHVURJKSA-N 1 0 431.577 2.889 50 0 IFAARO CC(C)[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000072281864 556463169 /nfs/dbraw/zinc/46/31/69/556463169.db2.gz DPJOVLJXDKVDAV-IBGZPJMESA-N 1 0 438.601 2.998 50 0 IFAARO COCc1c(C(=O)NCC[C@@H]2CCC[N@@H+]2C)cnn1-c1nccc(-c2cccs2)n1 ZINC000014982341 556471336 /nfs/dbraw/zinc/47/13/36/556471336.db2.gz YDCRZRKRFJAGNR-HNNXBMFYSA-N 1 0 426.546 2.751 50 0 IFAARO COCc1c(C(=O)NCC[C@H]2CCC[N@@H+]2C)cnn1-c1nccc(-c2cccs2)n1 ZINC000014982343 556471768 /nfs/dbraw/zinc/47/17/68/556471768.db2.gz YDCRZRKRFJAGNR-OAHLLOKOSA-N 1 0 426.546 2.751 50 0 IFAARO O=C(NCCCO)c1cn(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)nn1 ZINC000014991696 556475369 /nfs/dbraw/zinc/47/53/69/556475369.db2.gz CFCZWAGRKXSUQT-UHFFFAOYSA-N 1 0 431.540 2.799 50 0 IFAARO Cc1ccc2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)c(=O)n(CCOc3ccccc3)c2c1 ZINC000014995692 556477527 /nfs/dbraw/zinc/47/75/27/556477527.db2.gz BLQWRUZINVGJPU-HXUWFJFHSA-N 1 0 426.538 2.666 50 0 IFAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCCc1nc(-c3ccccc3)n[nH]1)C2 ZINC000015006173 556481564 /nfs/dbraw/zinc/48/15/64/556481564.db2.gz BTCXWBBBPAQBMW-KRWDZBQOSA-N 1 0 435.528 2.812 50 0 IFAARO O=C(CN1CCCC1=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015062283 556490592 /nfs/dbraw/zinc/49/05/92/556490592.db2.gz SESJKFBIOSIQFX-NRFANRHFSA-N 1 0 431.552 2.668 50 0 IFAARO O[C@@H](COCc1ccco1)C[NH+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000013149394 556491048 /nfs/dbraw/zinc/49/10/48/556491048.db2.gz UCWAFPKSDIPGHA-NHCUHLMSSA-N 1 0 433.476 2.969 50 0 IFAARO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000015070258 556495269 /nfs/dbraw/zinc/49/52/69/556495269.db2.gz SSFOGFHGCHOPNK-HSZRJFAPSA-N 1 0 447.620 2.754 50 0 IFAARO CCOC(=O)N1CCC(N2C(=O)CC[C@@H]2CC[NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000015072610 556497001 /nfs/dbraw/zinc/49/70/01/556497001.db2.gz IRTPUQADVICOIQ-LJQANCHMSA-N 1 0 431.533 2.565 50 0 IFAARO O=C(c1ccc[n+]([O-])c1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015075131 556498843 /nfs/dbraw/zinc/49/88/43/556498843.db2.gz CSSBTQQLLXYEIB-JOCHJYFZSA-N 1 0 427.520 2.993 50 0 IFAARO O=C(NCCC[N@H+](CCN1CCOCC1)Cc1cccs1)[C@H]1COc2ccccc2C1 ZINC000022937984 556511470 /nfs/dbraw/zinc/51/14/70/556511470.db2.gz YMZNFPCGHZTFOI-OAQYLSRUSA-N 1 0 443.613 2.640 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1ccc(C)c2C ZINC000013572736 556523173 /nfs/dbraw/zinc/52/31/73/556523173.db2.gz XFGCKMHBTHYXGS-GDQYCQOFSA-N 1 0 447.535 2.771 50 0 IFAARO COc1ccc([C@@H](CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)[NH+](C)C)cc1 ZINC000015534283 556533567 /nfs/dbraw/zinc/53/35/67/556533567.db2.gz MSJBJXJXTFSQON-MRXNPFEDSA-N 1 0 426.542 2.754 50 0 IFAARO CC(C)N1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032513772 556540507 /nfs/dbraw/zinc/54/05/07/556540507.db2.gz QODSCNRCCFGWAX-FPOVZHCZSA-N 1 0 445.510 2.993 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)Cc2ccc3nc(NC(=O)CC)sc3c2)CC1 ZINC000032959688 556549682 /nfs/dbraw/zinc/54/96/82/556549682.db2.gz IIFZYIKNSSDVDC-UHFFFAOYSA-N 1 0 431.606 2.721 50 0 IFAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000033326775 556561647 /nfs/dbraw/zinc/56/16/47/556561647.db2.gz XWGRIVFCRNABQT-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000016024751 556576235 /nfs/dbraw/zinc/57/62/35/556576235.db2.gz OGPXOPVGYZCTOV-LMMUWCHVSA-N 1 0 447.535 2.772 50 0 IFAARO C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)CC1 ZINC000032984015 556603230 /nfs/dbraw/zinc/60/32/30/556603230.db2.gz FTRPHJLPHSYLBS-STZFKDTASA-N 1 0 440.931 2.689 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000032987478 556607677 /nfs/dbraw/zinc/60/76/77/556607677.db2.gz QZCHKBGDRXPZSM-UHFFFAOYSA-N 1 0 431.562 2.608 50 0 IFAARO CC(C)[NH+](CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(C)C ZINC000016600103 556616848 /nfs/dbraw/zinc/61/68/48/556616848.db2.gz IVBLSLJMSGPKET-UHFFFAOYSA-N 1 0 435.634 2.811 50 0 IFAARO CCc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)ncn23)s1 ZINC000005131632 556639130 /nfs/dbraw/zinc/63/91/30/556639130.db2.gz DBXRBZHNQFLVLG-IYBDPMFKSA-N 1 0 429.590 2.757 50 0 IFAARO CCNS(=O)(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017098194 556662748 /nfs/dbraw/zinc/66/27/48/556662748.db2.gz JUOJCXDXQIHLKJ-UHFFFAOYSA-N 1 0 432.615 2.936 50 0 IFAARO O=C1C[C@@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccc(I)cc1 ZINC000018250375 556688197 /nfs/dbraw/zinc/68/81/97/556688197.db2.gz ONDGIEGGDLKIIM-MRXNPFEDSA-N 1 0 438.240 2.895 50 0 IFAARO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000251834627 556688987 /nfs/dbraw/zinc/68/89/87/556688987.db2.gz PVWOENMPGHRDFU-URZWWHBSSA-N 1 0 443.632 2.906 50 0 IFAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1)N1CCCCCC1 ZINC000033033012 556713549 /nfs/dbraw/zinc/71/35/49/556713549.db2.gz UKRXNOISXIMBAD-UHFFFAOYSA-N 1 0 442.585 2.913 50 0 IFAARO CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033807 556714753 /nfs/dbraw/zinc/71/47/53/556714753.db2.gz RBUGQPFFJGOVQR-UHFFFAOYSA-N 1 0 444.601 2.988 50 0 IFAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000033034168 556715585 /nfs/dbraw/zinc/71/55/85/556715585.db2.gz OPPGBIXFWZMWSG-UHFFFAOYSA-N 1 0 444.601 2.944 50 0 IFAARO Cc1cccn2c(CN3CC[NH+](C4CCCCC4)CC3)c(C(=O)N3CCOCC3)nc12 ZINC000019226536 556716917 /nfs/dbraw/zinc/71/69/17/556716917.db2.gz GEKQOQZFIHWZIX-UHFFFAOYSA-N 1 0 425.577 2.565 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccoc1 ZINC000019300048 556734961 /nfs/dbraw/zinc/73/49/61/556734961.db2.gz RNBRKYWJKVJLTB-UHFFFAOYSA-N 1 0 449.433 2.801 50 0 IFAARO O=C(CCCN1CCCC1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055211467 556738040 /nfs/dbraw/zinc/73/80/40/556738040.db2.gz JNYQXCBPKUYCRU-OAQYLSRUSA-N 1 0 432.996 2.856 50 0 IFAARO Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048193 556743676 /nfs/dbraw/zinc/74/36/76/556743676.db2.gz MTVINNSAPRVBMX-UHFFFAOYSA-N 1 0 425.514 2.775 50 0 IFAARO COc1cccc(C[C@@H](C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n2nnnc2C)c1 ZINC000058004733 556752273 /nfs/dbraw/zinc/75/22/73/556752273.db2.gz QCXHJXQNGSKBND-QHCPKHFHSA-N 1 0 440.592 2.889 50 0 IFAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000058112623 556759046 /nfs/dbraw/zinc/75/90/46/556759046.db2.gz CTXFFYRYAOPPJP-UHFFFAOYSA-N 1 0 430.549 2.650 50 0 IFAARO COc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(OC)c1 ZINC000058179480 556769893 /nfs/dbraw/zinc/76/98/93/556769893.db2.gz IREJJZPKVKCBCH-FQEVSTJZSA-N 1 0 438.572 2.702 50 0 IFAARO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000058230635 556774372 /nfs/dbraw/zinc/77/43/72/556774372.db2.gz QZVQJJPWXURJGL-QGZVFWFLSA-N 1 0 427.998 2.922 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000058343763 556782107 /nfs/dbraw/zinc/78/21/07/556782107.db2.gz XZICKAOIGWICNT-LJQANCHMSA-N 1 0 426.521 2.581 50 0 IFAARO COCC[N@H+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000058364971 556783169 /nfs/dbraw/zinc/78/31/69/556783169.db2.gz HPZRNOPZUDJKHI-CYBMUJFWSA-N 1 0 425.776 2.834 50 0 IFAARO O=C(CCc1nc(-c2ccncc2)no1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000059580131 556802481 /nfs/dbraw/zinc/80/24/81/556802481.db2.gz PMCASFJGLGPLSX-UHFFFAOYSA-N 1 0 434.544 2.783 50 0 IFAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c(OC)c1 ZINC000064800109 556827257 /nfs/dbraw/zinc/82/72/57/556827257.db2.gz JDELLHMRDLYPKA-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064800361 556827321 /nfs/dbraw/zinc/82/73/21/556827321.db2.gz LXDOSYHPQPODFB-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000065363153 556834734 /nfs/dbraw/zinc/83/47/34/556834734.db2.gz RUFQYECRSZIOTN-SFHVURJKSA-N 1 0 430.574 2.540 50 0 IFAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000065363047 556834850 /nfs/dbraw/zinc/83/48/50/556834850.db2.gz OZCBJBKSIDZGKB-UHFFFAOYSA-N 1 0 429.468 2.747 50 0 IFAARO CCN(c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1)S(=O)(=O)CC ZINC000065364409 556835702 /nfs/dbraw/zinc/83/57/02/556835702.db2.gz KSFXJUBOZKDQOV-UHFFFAOYSA-N 1 0 430.574 2.867 50 0 IFAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1Cl ZINC000067604517 556843557 /nfs/dbraw/zinc/84/35/57/556843557.db2.gz GTZYBPCTQOPPMT-UHFFFAOYSA-N 1 0 446.939 2.638 50 0 IFAARO Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc(N2CCOCC2)[nH+]1 ZINC000067614019 556844376 /nfs/dbraw/zinc/84/43/76/556844376.db2.gz NLYVWTODKXPFAO-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO CN(c1ccc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1)S(C)(=O)=O ZINC000067621909 556844796 /nfs/dbraw/zinc/84/47/96/556844796.db2.gz IMBDMZMNZZHHRU-UHFFFAOYSA-N 1 0 436.965 2.740 50 0 IFAARO C[NH+](C)Cc1cccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 ZINC000033089440 556857811 /nfs/dbraw/zinc/85/78/11/556857811.db2.gz NTFZVRDGZGYQCX-UHFFFAOYSA-N 1 0 428.577 2.891 50 0 IFAARO COc1ccc(COC[C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000019834665 556927643 /nfs/dbraw/zinc/92/76/43/556927643.db2.gz ZOBLCRBLGSJMDH-GOSISDBHSA-N 1 0 425.451 2.809 50 0 IFAARO CCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000019836862 556928317 /nfs/dbraw/zinc/92/83/17/556928317.db2.gz VWNRHUDMRTVMLS-UHFFFAOYSA-N 1 0 433.556 2.637 50 0 IFAARO CCC(CC)[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000097166141 556994787 /nfs/dbraw/zinc/99/47/87/556994787.db2.gz SAJHBPXTPYUFMX-CQSZACIVSA-N 1 0 435.384 2.865 50 0 IFAARO CCCCOc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017270650 557048530 /nfs/dbraw/zinc/04/85/30/557048530.db2.gz DAQYWYKHOWYTFL-UHFFFAOYSA-N 1 0 439.560 2.763 50 0 IFAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)c(C)c1C ZINC000022926070 557048773 /nfs/dbraw/zinc/04/87/73/557048773.db2.gz WMMAPHGIJNMKCG-QHCPKHFHSA-N 1 0 428.573 2.752 50 0 IFAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)c1 ZINC000048264435 557050541 /nfs/dbraw/zinc/05/05/41/557050541.db2.gz YKTRSKKUDLTTGA-NQIIRXRSSA-N 1 0 430.549 2.696 50 0 IFAARO CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)cc1 ZINC000017306562 557052325 /nfs/dbraw/zinc/05/23/25/557052325.db2.gz QETKRGXCRGEKKM-UHFFFAOYSA-N 1 0 441.528 2.904 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275414 557054505 /nfs/dbraw/zinc/05/45/05/557054505.db2.gz WPAXYORHKAZRRC-UHFFFAOYSA-N 1 0 430.574 2.654 50 0 IFAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000048332448 557070208 /nfs/dbraw/zinc/07/02/08/557070208.db2.gz DFJYNYQDTAMFLZ-UHFFFAOYSA-N 1 0 439.965 2.922 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000048375021 557076377 /nfs/dbraw/zinc/07/63/77/557076377.db2.gz MNYWZSXBBHNLQT-HDICACEKSA-N 1 0 426.561 2.645 50 0 IFAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000048375022 557076404 /nfs/dbraw/zinc/07/64/04/557076404.db2.gz MNYWZSXBBHNLQT-ROUUACIJSA-N 1 0 426.561 2.645 50 0 IFAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375081 557088616 /nfs/dbraw/zinc/08/86/16/557088616.db2.gz KYGROXJYROIEMT-IBGZPJMESA-N 1 0 443.617 2.720 50 0 IFAARO Cc1cccc(C[N@@H+]2CCc3nc(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3C2)c1 ZINC000049400941 557096665 /nfs/dbraw/zinc/09/66/65/557096665.db2.gz KFTNYUMOJDAUJI-UHFFFAOYSA-N 1 0 446.507 2.786 50 0 IFAARO COc1ccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400893 557096693 /nfs/dbraw/zinc/09/66/93/557096693.db2.gz IOZZBKVOHKDJOZ-GOSISDBHSA-N 1 0 446.551 2.996 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Cl ZINC000023546802 557097538 /nfs/dbraw/zinc/09/75/38/557097538.db2.gz CBDRYUGCZJDUTP-FQEVSTJZSA-N 1 0 442.947 2.933 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)C2)c1C ZINC000085621231 557102525 /nfs/dbraw/zinc/10/25/25/557102525.db2.gz LTLSDQAXBXRRSI-LJQANCHMSA-N 1 0 446.592 2.653 50 0 IFAARO O=C(CCC1CCN(C(=O)c2csnn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023232077 557119589 /nfs/dbraw/zinc/11/95/89/557119589.db2.gz HHQCRUZCPDPQCK-IBGZPJMESA-N 1 0 427.574 2.561 50 0 IFAARO Cc1ccc(Nc2nc(N3CC[NH2+]CC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000214082279 557124037 /nfs/dbraw/zinc/12/40/37/557124037.db2.gz CLQAYJYITKYDET-UHFFFAOYSA-N 1 0 430.560 2.660 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791845 557125396 /nfs/dbraw/zinc/12/53/96/557125396.db2.gz MZDHPJAHNFASNQ-IBGZPJMESA-N 1 0 448.567 2.927 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000024954798 557182411 /nfs/dbraw/zinc/18/24/11/557182411.db2.gz QYYCGFMITJNPFQ-FQEVSTJZSA-N 1 0 429.586 2.959 50 0 IFAARO O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000024374292 557189850 /nfs/dbraw/zinc/18/98/50/557189850.db2.gz SLSZUOCEWPRWSD-UHFFFAOYSA-N 1 0 430.448 2.896 50 0 IFAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000024928099 557231570 /nfs/dbraw/zinc/23/15/70/557231570.db2.gz IXVHSSLEVQYOIY-UHFFFAOYSA-N 1 0 431.558 2.802 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000583648146 557241156 /nfs/dbraw/zinc/24/11/56/557241156.db2.gz IBJUFGNQYYAZML-VABKMULXSA-N 1 0 427.589 2.775 50 0 IFAARO O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027606095 557267531 /nfs/dbraw/zinc/26/75/31/557267531.db2.gz KFSCRHHTEZWABG-LBPRGKRZSA-N 1 0 426.336 2.787 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](c3cccs3)[NH+](C)C)C2)s1 ZINC000027679733 557271264 /nfs/dbraw/zinc/27/12/64/557271264.db2.gz IREXXJYXJUZGEI-CVEARBPZSA-N 1 0 441.644 2.938 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2C)CC1 ZINC000102120164 557312376 /nfs/dbraw/zinc/31/23/76/557312376.db2.gz DVEFCAILRAQDFB-BGYRXZFFSA-N 1 0 426.561 2.641 50 0 IFAARO CCc1ccc([C@@H](CNC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)[NH+](C)C)cc1 ZINC000032734921 557314338 /nfs/dbraw/zinc/31/43/38/557314338.db2.gz VHTMCXBOQWZGPO-MRXNPFEDSA-N 1 0 448.449 2.982 50 0 IFAARO CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)NC)c2)[NH+](C)C)cc1 ZINC000032733308 557314466 /nfs/dbraw/zinc/31/44/66/557314466.db2.gz GAESAFIXRSEJAE-HKFHZZIHSA-N 1 0 445.585 2.598 50 0 IFAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000023721825 557372139 /nfs/dbraw/zinc/37/21/39/557372139.db2.gz HFEBWQUZAONHQX-KRWDZBQOSA-N 1 0 437.587 2.607 50 0 IFAARO CCC(=O)N1CCc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000004969149 557418925 /nfs/dbraw/zinc/41/89/25/557418925.db2.gz JIBJXOCSABIMFG-UHFFFAOYSA-N 1 0 427.570 2.929 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000104874184 557462669 /nfs/dbraw/zinc/46/26/69/557462669.db2.gz XFGCKMHBTHYXGS-FGCYHADGSA-N 1 0 447.535 2.771 50 0 IFAARO C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000106637485 557531090 /nfs/dbraw/zinc/53/10/90/557531090.db2.gz KCGHMMOJZYXEQA-NZHPJOHYSA-N 1 0 445.541 2.829 50 0 IFAARO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000106928624 557533612 /nfs/dbraw/zinc/53/36/12/557533612.db2.gz XIPZRANJHIAQPA-KGVIQGDOSA-N 1 0 439.556 2.766 50 0 IFAARO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1 ZINC000045944311 557553193 /nfs/dbraw/zinc/55/31/93/557553193.db2.gz XMOMVJIIXSKRLG-UHFFFAOYSA-N 1 0 443.613 2.865 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000045944583 557553223 /nfs/dbraw/zinc/55/32/23/557553223.db2.gz DIAFDBDTDXCRJG-HXUWFJFHSA-N 1 0 429.586 2.611 50 0 IFAARO CN(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632425 557754543 /nfs/dbraw/zinc/75/45/43/557754543.db2.gz CDEBJPITIWHFOU-IRLDBZIGSA-N 1 0 446.592 2.691 50 0 IFAARO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@H](C)O1 ZINC000229656570 557832862 /nfs/dbraw/zinc/83/28/62/557832862.db2.gz ZPSQBQIRCKGMAU-VNHYZAJKSA-N 1 0 435.359 2.851 50 0 IFAARO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1S(=O)(=O)N(C)C ZINC000009792653 562976951 /nfs/dbraw/zinc/97/69/51/562976951.db2.gz LHPVJMLOYYXWRC-UHFFFAOYSA-N 1 0 437.606 2.864 50 0 IFAARO COc1ccc(F)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1 ZINC000011976809 562980116 /nfs/dbraw/zinc/98/01/16/562980116.db2.gz UFQAZDRZKASSBP-IBGZPJMESA-N 1 0 430.524 2.820 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCC[NH+]1CCCCCC1)nc2C ZINC000015943115 563019975 /nfs/dbraw/zinc/01/99/75/563019975.db2.gz DSBKCNFPYZQEFA-LJQANCHMSA-N 1 0 436.560 2.752 50 0 IFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000017012285 563021215 /nfs/dbraw/zinc/02/12/15/563021215.db2.gz ONKMWGBGOKTMJA-UHFFFAOYSA-N 1 0 436.604 2.797 50 0 IFAARO COc1ccc(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)cc1Cl ZINC000019360109 563022568 /nfs/dbraw/zinc/02/25/68/563022568.db2.gz UXESFSIBJIJWNX-UHFFFAOYSA-N 1 0 427.014 2.774 50 0 IFAARO CCn1c2ccccc2c2sc(C(=O)NCCCN3CC[NH+](CC)CC3)cc2c1=O ZINC000020286323 563024355 /nfs/dbraw/zinc/02/43/55/563024355.db2.gz RONLMBSAVQKFDD-UHFFFAOYSA-N 1 0 426.586 2.994 50 0 IFAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000023373517 568613723 /nfs/dbraw/zinc/61/37/23/568613723.db2.gz MMJNFGBDIGEEEV-NRFANRHFSA-N 1 0 430.593 2.903 50 0 IFAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cc2ccccc2o1 ZINC000299761440 568755740 /nfs/dbraw/zinc/75/57/40/568755740.db2.gz LTYXHJTYRATBQZ-FQEVSTJZSA-N 1 0 425.529 2.512 50 0 IFAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299762055 568755875 /nfs/dbraw/zinc/75/58/75/568755875.db2.gz RALZBRCSGHYPSD-BKMJKUGQSA-N 1 0 448.567 2.611 50 0 IFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000299762088 568756017 /nfs/dbraw/zinc/75/60/17/568756017.db2.gz RHVQUPIUFCVEJG-GHTZIAJQSA-N 1 0 428.554 2.661 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000263585424 568759148 /nfs/dbraw/zinc/75/91/48/568759148.db2.gz IJUXQFRPWFPVRR-YCSHWKNNSA-N 1 0 427.589 2.946 50 0 IFAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015773225 568823162 /nfs/dbraw/zinc/82/31/62/568823162.db2.gz IMEJIQOJNJEAOH-HSZRJFAPSA-N 1 0 440.975 2.946 50 0 IFAARO CCOc1ccc(CN2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)cc1OCC ZINC000015779448 568824979 /nfs/dbraw/zinc/82/49/79/568824979.db2.gz QXWAMSOEPQAJQP-UHFFFAOYSA-N 1 0 425.577 2.974 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCC[N@@H+]4CC)CC3)ccc21 ZINC000015784260 568827087 /nfs/dbraw/zinc/82/70/87/568827087.db2.gz KGELEVYYRWMHMO-HXUWFJFHSA-N 1 0 446.617 2.662 50 0 IFAARO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000085698084 568834697 /nfs/dbraw/zinc/83/46/97/568834697.db2.gz UXHVCLKVBRMGPJ-UHFFFAOYSA-N 1 0 440.588 2.675 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1C ZINC000015862682 568849036 /nfs/dbraw/zinc/84/90/36/568849036.db2.gz HDLLQNCCXJTQGH-UHFFFAOYSA-N 1 0 447.576 2.764 50 0 IFAARO Cc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c1 ZINC000015864160 568849560 /nfs/dbraw/zinc/84/95/60/568849560.db2.gz HZFJMJUKXXSBAC-UHFFFAOYSA-N 1 0 430.346 2.832 50 0 IFAARO CSCC[C@H]1[NH2+][C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015958446 568860285 /nfs/dbraw/zinc/86/02/85/568860285.db2.gz KIYSKRKTROCGKB-ZHSNQQFMSA-N 1 0 427.570 2.720 50 0 IFAARO CSCC[C@H]1[NH2+][C@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967979 568861204 /nfs/dbraw/zinc/86/12/04/568861204.db2.gz BDYLUWBKBGWIEL-NAZDKBRTSA-N 1 0 449.576 2.711 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015970189 568861545 /nfs/dbraw/zinc/86/15/45/568861545.db2.gz KORZJRHCDXYWAD-GGVOQYFPSA-N 1 0 442.519 2.930 50 0 IFAARO CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 ZINC000575621715 568883084 /nfs/dbraw/zinc/88/30/84/568883084.db2.gz RQMUBFYHAAUVMO-GOSISDBHSA-N 1 0 441.509 2.667 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1csc2ccccc21 ZINC000575622434 568883223 /nfs/dbraw/zinc/88/32/23/568883223.db2.gz YSYBZFJYBWBCSQ-QGZVFWFLSA-N 1 0 425.510 2.665 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000245247207 568913440 /nfs/dbraw/zinc/91/34/40/568913440.db2.gz RPEYWJZYNISSLF-AYMMHLMVSA-N 1 0 425.485 2.504 50 0 IFAARO CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1CC ZINC000245263600 568914274 /nfs/dbraw/zinc/91/42/74/568914274.db2.gz AYRZSPSDYXEGOS-WMZOPIPTSA-N 1 0 429.517 2.893 50 0 IFAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)CC1 ZINC000016689904 568938332 /nfs/dbraw/zinc/93/83/32/568938332.db2.gz RETSGXKKSJNOFR-UHFFFAOYSA-N 1 0 436.604 2.878 50 0 IFAARO C[NH+](C)CCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611675 568941465 /nfs/dbraw/zinc/94/14/65/568941465.db2.gz XLVIVHJGOOQJQC-KRWDZBQOSA-N 1 0 439.585 2.936 50 0 IFAARO O[C@H](CN1CCOCC1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147108 568962414 /nfs/dbraw/zinc/96/24/14/568962414.db2.gz KANNSZLAUQIRLT-PKTZIBPZSA-N 1 0 427.520 2.514 50 0 IFAARO CCc1nn(CC(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000006749449 568972284 /nfs/dbraw/zinc/97/22/84/568972284.db2.gz DGVCMMBOEKPBDG-UHFFFAOYSA-N 1 0 429.590 2.964 50 0 IFAARO COCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000006765322 568978844 /nfs/dbraw/zinc/97/88/44/568978844.db2.gz RRFROECXGKVZAT-UHFFFAOYSA-N 1 0 429.590 2.807 50 0 IFAARO CCOc1ccc(Nc2nc(-c3cnc(N4CC[NH+](CC)CC4)nc3C)cc(=O)[nH]2)cc1 ZINC000036235715 568979339 /nfs/dbraw/zinc/97/93/39/568979339.db2.gz GBECACIXCLELFP-UHFFFAOYSA-N 1 0 435.532 2.820 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCC[NH+]1CCCCC1)c2=O ZINC000064971246 569076489 /nfs/dbraw/zinc/07/64/89/569076489.db2.gz HHFNOXTZDDPKKZ-IBGZPJMESA-N 1 0 436.560 2.752 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCC[NH+]1CCCCC1)c2=O ZINC000064971247 569076521 /nfs/dbraw/zinc/07/65/21/569076521.db2.gz HHFNOXTZDDPKKZ-LJQANCHMSA-N 1 0 436.560 2.752 50 0 IFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341765 569078994 /nfs/dbraw/zinc/07/89/94/569078994.db2.gz WXHJZPJJBHFRAQ-NRFANRHFSA-N 1 0 438.503 2.870 50 0 IFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036345603 569080680 /nfs/dbraw/zinc/08/06/80/569080680.db2.gz HUDRZXSLCISMFN-NRFANRHFSA-N 1 0 438.503 2.870 50 0 IFAARO CCOc1ccc(CNC(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 ZINC000065154702 569112374 /nfs/dbraw/zinc/11/23/74/569112374.db2.gz LGUFSJCJVIOUCJ-UHFFFAOYSA-N 1 0 438.576 2.842 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000065172571 569113323 /nfs/dbraw/zinc/11/33/23/569113323.db2.gz HMWZYVWHSCSNER-UHFFFAOYSA-N 1 0 431.540 2.908 50 0 IFAARO O=C(c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1)N1CCN(c2ccccn2)CC1 ZINC000065256217 569123196 /nfs/dbraw/zinc/12/31/96/569123196.db2.gz QPAHSEJOMZLONM-QFIPXVFZSA-N 1 0 428.540 2.590 50 0 IFAARO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2)N1CCOCC1 ZINC000065272775 569129078 /nfs/dbraw/zinc/12/90/78/569129078.db2.gz JGVOFQTVGXHEMN-GOSISDBHSA-N 1 0 445.629 2.802 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000065291986 569130569 /nfs/dbraw/zinc/13/05/69/569130569.db2.gz DHDHMFQRDMIDAN-UHFFFAOYSA-N 1 0 428.552 2.653 50 0 IFAARO Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC000036708066 569134744 /nfs/dbraw/zinc/13/47/44/569134744.db2.gz HFLIOXXYHIYZRV-UHFFFAOYSA-N 1 0 438.557 2.895 50 0 IFAARO CN(C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000170614866 569146504 /nfs/dbraw/zinc/14/65/04/569146504.db2.gz SPDPEHAPCFEVIT-UHFFFAOYSA-N 1 0 425.501 2.988 50 0 IFAARO CCC(=O)N1CCC[C@@H](C(=O)OCCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000170617217 569147196 /nfs/dbraw/zinc/14/71/96/569147196.db2.gz CHQXKIUMEGESFI-GOSISDBHSA-N 1 0 425.570 2.511 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000010217832 569153379 /nfs/dbraw/zinc/15/33/79/569153379.db2.gz RDCRFRAVTVFIAV-PXNSSMCTSA-N 1 0 449.548 2.773 50 0 IFAARO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCc1cccc(O)c1 ZINC000089702546 569161788 /nfs/dbraw/zinc/16/17/88/569161788.db2.gz OOSDVTCAMVIAIH-OAQYLSRUSA-N 1 0 447.539 2.642 50 0 IFAARO O=C(OC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1COC(=O)C1CCOCC1)C1CCOCC1 ZINC000089834853 569165368 /nfs/dbraw/zinc/16/53/68/569165368.db2.gz YVRXWIBPAUYXMU-GOTSBHOMSA-N 1 0 445.556 2.674 50 0 IFAARO COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974480 569168508 /nfs/dbraw/zinc/16/85/08/569168508.db2.gz WOBUPCFFDSJFKU-UHFFFAOYSA-N 1 0 427.501 2.643 50 0 IFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000017012300 569170447 /nfs/dbraw/zinc/17/04/47/569170447.db2.gz NVCDNLODJTWQLC-UHFFFAOYSA-N 1 0 448.493 2.518 50 0 IFAARO Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)[nH+]1 ZINC000017012841 569170600 /nfs/dbraw/zinc/17/06/00/569170600.db2.gz DKCPNGOAJWZEPW-UHFFFAOYSA-N 1 0 437.569 2.614 50 0 IFAARO CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCCc2ccccc21 ZINC000252443951 569183774 /nfs/dbraw/zinc/18/37/74/569183774.db2.gz BYPPENLLCHBPQV-SQJMNOBHSA-N 1 0 434.540 2.970 50 0 IFAARO C[NH+](C)CCNC(=O)c1ccccc1Cn1ccs/c1=N\C(=O)c1ccccc1F ZINC000037428359 569195974 /nfs/dbraw/zinc/19/59/74/569195974.db2.gz WPQWRNLCZNLWRL-LVWGJNHUSA-N 1 0 426.517 2.770 50 0 IFAARO Cc1s/c(=N\C(=O)c2ccco2)n(Cc2ccccc2C(=O)NCC[NH+](C)C)c1C ZINC000037428018 569195999 /nfs/dbraw/zinc/19/59/99/569195999.db2.gz RYIPPNMVORRICA-GYHWCHFESA-N 1 0 426.542 2.840 50 0 IFAARO CCn1nccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820150 569211762 /nfs/dbraw/zinc/21/17/62/569211762.db2.gz VCRBNMJTQNPYQW-QFIPXVFZSA-N 1 0 437.588 2.879 50 0 IFAARO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H](C)[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000253531065 569283797 /nfs/dbraw/zinc/28/37/97/569283797.db2.gz WFTCTBMYTZPMNR-JENIJYKNSA-N 1 0 433.597 2.975 50 0 IFAARO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C ZINC000078823052 569319417 /nfs/dbraw/zinc/31/94/17/569319417.db2.gz WMRKITDPKYBVPR-IBGZPJMESA-N 1 0 433.512 2.965 50 0 IFAARO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]C(CC)(CC)CC ZINC000078969947 569321012 /nfs/dbraw/zinc/32/10/12/569321012.db2.gz GKBRAXIDHRVMAH-UHFFFAOYSA-N 1 0 441.594 2.603 50 0 IFAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)c4cc[nH+]cc43)cc2)C1 ZINC000079055360 569323629 /nfs/dbraw/zinc/32/36/29/569323629.db2.gz WOSSBBBOFWDVRX-IAGOWNOFSA-N 1 0 428.558 2.845 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000079105484 569325756 /nfs/dbraw/zinc/32/57/56/569325756.db2.gz AUVVUMQGCRUKOC-NRFANRHFSA-N 1 0 441.594 2.599 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+]([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214048 569356527 /nfs/dbraw/zinc/35/65/27/569356527.db2.gz UGVYJNRRDPDBTH-FOIQADDNSA-N 1 0 434.968 2.927 50 0 IFAARO CCC[NH+](CCC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2F)oc1C ZINC000020242104 569358166 /nfs/dbraw/zinc/35/81/66/569358166.db2.gz CVDQTPATMTYQAB-UHFFFAOYSA-N 1 0 439.553 2.942 50 0 IFAARO O=C(NCC[NH+]1CCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000020377515 569362310 /nfs/dbraw/zinc/36/23/10/569362310.db2.gz YNDHVQRDONDAOD-UHFFFAOYSA-N 1 0 444.601 2.532 50 0 IFAARO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444036 569367010 /nfs/dbraw/zinc/36/70/10/569367010.db2.gz XEOMURKUNOTBDR-MBSDFSHPSA-N 1 0 427.501 2.860 50 0 IFAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2)C1 ZINC000095456112 569368699 /nfs/dbraw/zinc/36/86/99/569368699.db2.gz ALBLZTDCLVJBTB-HTAPYJJXSA-N 1 0 449.555 2.991 50 0 IFAARO COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000095945441 569375964 /nfs/dbraw/zinc/37/59/64/569375964.db2.gz ZSWVYSLTRKUOJU-VEXUSMLFSA-N 1 0 441.597 2.568 50 0 IFAARO Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095983426 569378082 /nfs/dbraw/zinc/37/80/82/569378082.db2.gz LMBCUWQKTSFVEG-UHFFFAOYSA-N 1 0 445.585 2.883 50 0 IFAARO O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)NCC[NH+]1CCCC1 ZINC000096322337 569394581 /nfs/dbraw/zinc/39/45/81/569394581.db2.gz GCSFZADYMBFYSU-UHFFFAOYSA-N 1 0 437.935 2.842 50 0 IFAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000225575889 569404843 /nfs/dbraw/zinc/40/48/43/569404843.db2.gz NNLPDYJCGQAQFJ-OAHLLOKOSA-N 1 0 431.480 2.857 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002726405 569418565 /nfs/dbraw/zinc/41/85/65/569418565.db2.gz ZFRWGAOGRGYXBT-UHFFFAOYSA-N 1 0 447.626 2.930 50 0 IFAARO O=C(C[NH2+]CC1CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003288924 569444210 /nfs/dbraw/zinc/44/42/10/569444210.db2.gz RFJCLRJEHBSYFE-UHFFFAOYSA-N 1 0 429.586 2.843 50 0 IFAARO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000058162610 569449382 /nfs/dbraw/zinc/44/93/82/569449382.db2.gz XEWYNQYWHJLPIH-GOSISDBHSA-N 1 0 427.636 2.695 50 0 IFAARO CCn1c2ccccc2n(CC(=O)N[C@H](C)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1=O ZINC000032019909 569458951 /nfs/dbraw/zinc/45/89/51/569458951.db2.gz BARMMLVRPIPWOH-OAQYLSRUSA-N 1 0 449.599 2.848 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000008791390 569476192 /nfs/dbraw/zinc/47/61/92/569476192.db2.gz WNYSZEZUHUALTK-IMIIHFCZSA-N 1 0 442.519 2.931 50 0 IFAARO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c(C)nc(SC)nc3C)cn2)CC1 ZINC000040151640 569493269 /nfs/dbraw/zinc/49/32/69/569493269.db2.gz BXLLMLGJKVMMBD-UHFFFAOYSA-N 1 0 428.606 2.601 50 0 IFAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3CN12 ZINC000009034141 569497270 /nfs/dbraw/zinc/49/72/70/569497270.db2.gz ASTXNFAFYIFOLM-DEOSSOPVSA-N 1 0 428.536 2.928 50 0 IFAARO Cc1c(C)n(-c2ccc(C)c(C)c2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000009243069 569514777 /nfs/dbraw/zinc/51/47/77/569514777.db2.gz YRKKGWYPBYWTNI-UHFFFAOYSA-N 1 0 448.571 2.858 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000009441520 569535349 /nfs/dbraw/zinc/53/53/49/569535349.db2.gz WFRODUWNSJYNMX-UHFFFAOYSA-N 1 0 430.574 2.584 50 0 IFAARO COCC[NH+](CCOC)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000009550250 569546666 /nfs/dbraw/zinc/54/66/66/569546666.db2.gz PMIOMZKXGWRFAW-OAQYLSRUSA-N 1 0 433.545 2.766 50 0 IFAARO O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009585429 569549578 /nfs/dbraw/zinc/54/95/78/569549578.db2.gz VVXWODHUSXXMIP-UHFFFAOYSA-N 1 0 440.632 2.882 50 0 IFAARO O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)NCC[NH+]1CCCC1 ZINC000009744024 569565557 /nfs/dbraw/zinc/56/55/57/569565557.db2.gz XQAPLLWZUYCMOJ-UHFFFAOYSA-N 1 0 427.940 2.534 50 0 IFAARO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000009810827 569569070 /nfs/dbraw/zinc/56/90/70/569569070.db2.gz SLYRAZPWXHEAIH-QGZVFWFLSA-N 1 0 430.574 2.880 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)C1 ZINC000009860828 569571921 /nfs/dbraw/zinc/57/19/21/569571921.db2.gz UDOGNDZKYGLRSR-LJQANCHMSA-N 1 0 433.556 2.621 50 0 IFAARO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000009949542 569574244 /nfs/dbraw/zinc/57/42/44/569574244.db2.gz KNQIJHJGMGDGQA-HKUYNNGSSA-N 1 0 445.608 2.849 50 0 IFAARO CC(C)[NH+](CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(C)C ZINC000071796249 569581501 /nfs/dbraw/zinc/58/15/01/569581501.db2.gz HMGOABNWNKWIRC-UHFFFAOYSA-N 1 0 447.388 2.936 50 0 IFAARO Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000071853565 569582510 /nfs/dbraw/zinc/58/25/10/569582510.db2.gz SIESHGJJUREBPE-HXUWFJFHSA-N 1 0 439.482 2.655 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCn3nc(-c4cccs4)oc3=O)cc2)CC1 ZINC000009379200 132314651 /nfs/dbraw/zinc/31/46/51/132314651.db2.gz ICEWIIINANBSLB-UHFFFAOYSA-N 1 0 427.530 2.736 50 0 IFAARO O=C(Cn1ncc2c1-c1ccccc1OC2)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009831054 132329447 /nfs/dbraw/zinc/32/94/47/132329447.db2.gz ASUQWIMQKUIKNZ-UHFFFAOYSA-N 1 0 449.530 2.910 50 0 IFAARO Cc1cccn2cc(C[NH2+]C3CCN(c4ccc(C(=O)N5CCC[C@@H](O)C5)cc4)CC3)nc12 ZINC000011784495 132339712 /nfs/dbraw/zinc/33/97/12/132339712.db2.gz MHXQHRIURFMTAM-XMMPIXPASA-N 1 0 447.583 2.998 50 0 IFAARO O=C([C@@H]1CCOC1)N1CCOc2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011791211 132340023 /nfs/dbraw/zinc/34/00/23/132340023.db2.gz YNXVNGPHRKKLIP-HXUWFJFHSA-N 1 0 439.531 2.905 50 0 IFAARO CC(=O)N1CCC([NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1 ZINC000012449472 519511600 /nfs/dbraw/zinc/51/16/00/519511600.db2.gz PRZAVCRZURZZEN-UHFFFAOYSA-N 1 0 436.556 2.866 50 0 IFAARO CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1=O ZINC000012192918 519662499 /nfs/dbraw/zinc/66/24/99/519662499.db2.gz IUOVEBZPIUZRJP-GOSISDBHSA-N 1 0 430.593 2.811 50 0 IFAARO CC(=O)Nc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CCN(C)CC2)c1 ZINC000012219046 519703842 /nfs/dbraw/zinc/70/38/42/519703842.db2.gz VREJSRJTGVXURC-KRWDZBQOSA-N 1 0 426.536 2.893 50 0 IFAARO CCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4CC)c3)CC2)CC1 ZINC000021156335 519855593 /nfs/dbraw/zinc/85/55/93/519855593.db2.gz ZRBAUICRKUWVKF-UHFFFAOYSA-N 1 0 446.617 2.616 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)CC1 ZINC000020919523 519858165 /nfs/dbraw/zinc/85/81/65/519858165.db2.gz CXANACPDSKEOCM-UHFFFAOYSA-N 1 0 446.617 2.768 50 0 IFAARO CCC[NH+]1CCN(CCCNc2nc3c(cnn3C)c(Nc3ccc(OC)cc3)n2)CC1 ZINC000021928755 519858248 /nfs/dbraw/zinc/85/82/48/519858248.db2.gz HNLDLHIWMRXNNF-UHFFFAOYSA-N 1 0 438.580 2.945 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(F)cc3)o2)CC1 ZINC000020515077 519858321 /nfs/dbraw/zinc/85/83/21/519858321.db2.gz KECRBCHCNZREEV-PMERELPUSA-N 1 0 435.565 2.874 50 0 IFAARO CCOC[C@@H](O)CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012702529 520100211 /nfs/dbraw/zinc/10/02/11/520100211.db2.gz LHXKKBNVOKKNRO-QFIPXVFZSA-N 1 0 426.557 2.900 50 0 IFAARO CCCC[NH+](CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(=O)OCC)CC2 ZINC000020531917 520494451 /nfs/dbraw/zinc/49/44/51/520494451.db2.gz ZGLVVAITOJRXHZ-UHFFFAOYSA-N 1 0 437.581 2.869 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557867 520513883 /nfs/dbraw/zinc/51/38/83/520513883.db2.gz WEEDSTHUSILZQA-JOCHJYFZSA-N 1 0 444.551 2.947 50 0 IFAARO CCOC(=O)C1CC[NH+](C2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)CC1 ZINC000012464995 520573741 /nfs/dbraw/zinc/57/37/41/520573741.db2.gz SDXDDKOSRIZUQN-UHFFFAOYSA-N 1 0 428.533 2.985 50 0 IFAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1cccc(Cl)c1 ZINC000040744506 520714313 /nfs/dbraw/zinc/71/43/13/520714313.db2.gz XCRTZFCSBYOYLG-UHFFFAOYSA-N 1 0 445.907 2.803 50 0 IFAARO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1F ZINC000020953576 521203435 /nfs/dbraw/zinc/20/34/35/521203435.db2.gz AIIREQXMBCJDRJ-GOSISDBHSA-N 1 0 427.567 2.553 50 0 IFAARO CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c1N ZINC000021651829 521576346 /nfs/dbraw/zinc/57/63/46/521576346.db2.gz AIPBVRVNDRDKLB-UHFFFAOYSA-N 1 0 425.533 2.722 50 0 IFAARO CCOC(=O)c1n[nH]cc1CN(CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012446830 521595449 /nfs/dbraw/zinc/59/54/49/521595449.db2.gz YYFAJEMJOXGGMM-UHFFFAOYSA-N 1 0 444.576 2.956 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C ZINC000012129879 521656904 /nfs/dbraw/zinc/65/69/04/521656904.db2.gz IVFNOSMQLKUSJY-IBGZPJMESA-N 1 0 446.555 2.959 50 0 IFAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4ccc(OC)cc4)ccc3n2C)CC1 ZINC000022804389 521690086 /nfs/dbraw/zinc/69/00/86/521690086.db2.gz YAYZPBZZNRNIFY-UHFFFAOYSA-N 1 0 437.544 2.737 50 0 IFAARO C[NH+](C)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1-c1ccco1 ZINC000015003555 521787249 /nfs/dbraw/zinc/78/72/49/521787249.db2.gz DIIQSFBAYDGZIC-UHFFFAOYSA-N 1 0 428.496 2.979 50 0 IFAARO COc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C ZINC000020599979 522195196 /nfs/dbraw/zinc/19/51/96/522195196.db2.gz VELXEMVVGMZOGT-UHFFFAOYSA-N 1 0 448.571 2.606 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(C)cc1 ZINC000040744382 522450541 /nfs/dbraw/zinc/45/05/41/522450541.db2.gz GPJQVTNLGRJFPY-UHFFFAOYSA-N 1 0 445.907 2.721 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@H](C)c2ccccc2)CC3)cc1 ZINC000012279628 523704649 /nfs/dbraw/zinc/70/46/49/523704649.db2.gz ZSOZCULSQJMEMD-IBGZPJMESA-N 1 0 433.556 2.921 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2-n2cccn2)CC1 ZINC000012755648 523811569 /nfs/dbraw/zinc/81/15/69/523811569.db2.gz PHCSUPWJKGBPPR-NRFANRHFSA-N 1 0 426.561 2.852 50 0 IFAARO C[NH+]1CCN(CCCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000021153409 523898037 /nfs/dbraw/zinc/89/80/37/523898037.db2.gz OHNKGDAOBXHUEV-UHFFFAOYSA-N 1 0 433.578 2.829 50 0 IFAARO C[NH+]1CCN(CCNC(=O)CSCc2nc3cccnc3n2C2CCCCC2)CC1 ZINC000021109315 523901333 /nfs/dbraw/zinc/90/13/33/523901333.db2.gz FFMYNWUNZIYEMT-UHFFFAOYSA-N 1 0 430.622 2.533 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)Cc2ccccn2)CC1 ZINC000012307072 523926681 /nfs/dbraw/zinc/92/66/81/523926681.db2.gz UCTRXWNHHRDFMK-GOSISDBHSA-N 1 0 427.545 2.941 50 0 IFAARO COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012439840 524007920 /nfs/dbraw/zinc/00/79/20/524007920.db2.gz WWHBQZQJNUGFEG-NRFANRHFSA-N 1 0 440.544 2.890 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C ZINC000020919323 524040049 /nfs/dbraw/zinc/04/00/49/524040049.db2.gz CIBXVBQCDJQJMS-SFHVURJKSA-N 1 0 441.576 2.566 50 0 IFAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012932753 524074105 /nfs/dbraw/zinc/07/41/05/524074105.db2.gz QBQWLJSBSYVPKU-KRWDZBQOSA-N 1 0 431.558 2.987 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1c2cccc1C ZINC000035877661 524238265 /nfs/dbraw/zinc/23/82/65/524238265.db2.gz BQDLWEHAVJYOKK-DLZCWGNESA-N 1 0 429.904 2.802 50 0 IFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)cc1 ZINC000020583715 524470742 /nfs/dbraw/zinc/47/07/42/524470742.db2.gz XDDNXIJGBYLZLP-QGZVFWFLSA-N 1 0 444.582 2.607 50 0 IFAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)s1 ZINC000020783734 524475531 /nfs/dbraw/zinc/47/55/31/524475531.db2.gz ZBDMGXIDEOIVCZ-UHFFFAOYSA-N 1 0 427.549 2.747 50 0 IFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)s1 ZINC000020600673 524475743 /nfs/dbraw/zinc/47/57/43/524475743.db2.gz JCWJBFIFIDTAIE-QGZVFWFLSA-N 1 0 425.558 2.963 50 0 IFAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([N@@H+]2CCCN(C=O)CC2)C4)cc1 ZINC000012510399 524773881 /nfs/dbraw/zinc/77/38/81/524773881.db2.gz ZRKCPQQDOWEMJQ-IBGZPJMESA-N 1 0 436.581 2.836 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCn2cnnn2)CC1 ZINC000012432381 525136769 /nfs/dbraw/zinc/13/67/69/525136769.db2.gz XPMQNGRPWNXKDR-UHFFFAOYSA-N 1 0 433.560 2.708 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795658 525180463 /nfs/dbraw/zinc/18/04/63/525180463.db2.gz AJTFUVBLMBKUMQ-OAQYLSRUSA-N 1 0 444.963 2.700 50 0 IFAARO COc1ccc([C@@]2(CC(=O)N3CC[NH+](C(C)C)CC3)CC(=O)N(CCC(C)C)C2=O)cc1 ZINC000020450730 525285288 /nfs/dbraw/zinc/28/52/88/525285288.db2.gz ZRFPHHLMJQLGQJ-RUZDIDTESA-N 1 0 443.588 2.681 50 0 IFAARO CSCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012204332 525368352 /nfs/dbraw/zinc/36/83/52/525368352.db2.gz YUCKIFPAYPGTDR-UHFFFAOYSA-N 1 0 427.998 2.754 50 0 IFAARO Cc1ccccc1[C@@]1(CC(=O)N2CC[NH+](C(C)C)CC2)CC(=O)N(Cc2cccnc2)C1=O ZINC000020995441 525398623 /nfs/dbraw/zinc/39/86/23/525398623.db2.gz HAFQGBNMPHSBNS-AREMUKBSSA-N 1 0 448.567 2.530 50 0 IFAARO Cc1ccccc1[C@]1(CC(=O)N(C)C2CC[NH+](C)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000012247720 525449326 /nfs/dbraw/zinc/44/93/26/525449326.db2.gz AOAPGZIYAHZHRA-SANMLTNESA-N 1 0 448.567 2.530 50 0 IFAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022796656 525954057 /nfs/dbraw/zinc/95/40/57/525954057.db2.gz PVAWDZYQGMWHAN-FQEVSTJZSA-N 1 0 432.927 2.831 50 0 IFAARO Cc1nn(CCCC(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020866307 526279597 /nfs/dbraw/zinc/27/95/97/526279597.db2.gz NKQOUNDAOWRTIJ-UHFFFAOYSA-N 1 0 425.533 2.808 50 0 IFAARO O=C(CC[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000012094319 526554203 /nfs/dbraw/zinc/55/42/03/526554203.db2.gz WVZGCZOGPAQJRX-QFIPXVFZSA-N 1 0 441.620 2.625 50 0 IFAARO O=C(CCc1ccncc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998182 526624458 /nfs/dbraw/zinc/62/44/58/526624458.db2.gz SLNTUKQJIPQHSZ-QFIPXVFZSA-N 1 0 436.556 2.552 50 0 IFAARO O=C(c1cc2n(n1)CCN(Cc1ccccc1F)C2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000034830746 526643497 /nfs/dbraw/zinc/64/34/97/526643497.db2.gz PGNWYMIDZNWDFB-UHFFFAOYSA-N 1 0 439.535 2.769 50 0 IFAARO O=C(NCc1ccccc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020541079 526733203 /nfs/dbraw/zinc/73/32/03/526733203.db2.gz HWNJYVTUMNCCIU-JOCHJYFZSA-N 1 0 436.556 2.907 50 0 IFAARO O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022088960 526772795 /nfs/dbraw/zinc/77/27/95/526772795.db2.gz ZZZULWZPGTUTHJ-UHFFFAOYSA-N 1 0 449.039 2.609 50 0 IFAARO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000022619376 526857423 /nfs/dbraw/zinc/85/74/23/526857423.db2.gz BOCNKJBTDFRUFA-GOSISDBHSA-N 1 0 429.904 2.752 50 0 IFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036044930 527045728 /nfs/dbraw/zinc/04/57/28/527045728.db2.gz FGBQNOJFUILOMV-CTNGQTDRSA-N 1 0 445.560 2.617 50 0 IFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000016012725 527092224 /nfs/dbraw/zinc/09/22/24/527092224.db2.gz ZNMFUECAVDMKNF-MSZDEVHKSA-N 1 0 441.462 2.993 50 0 IFAARO O=C(Cc1ccsc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020992624 527316133 /nfs/dbraw/zinc/31/61/33/527316133.db2.gz XNERPYSWOUIXNM-FQEVSTJZSA-N 1 0 427.570 2.828 50 0 IFAARO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012786335 527406012 /nfs/dbraw/zinc/40/60/12/527406012.db2.gz OURIQTAGGQUIFQ-UHFFFAOYSA-N 1 0 437.550 2.930 50 0 IFAARO COc1ccc(Cl)cc1N1CCN(Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000034668210 555792390 /nfs/dbraw/zinc/79/23/90/555792390.db2.gz KIEPXKRDSGOGQM-UHFFFAOYSA-N 1 0 430.980 2.962 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O ZINC000034811173 555908739 /nfs/dbraw/zinc/90/87/39/555908739.db2.gz FKFDHHAVBNTIKL-KRWDZBQOSA-N 1 0 427.524 2.673 50 0 IFAARO CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)NCCCN3CC[NH+](C)CC3)cc21 ZINC000034836228 555914206 /nfs/dbraw/zinc/91/42/06/555914206.db2.gz LFQQAIMBQAHDFU-UHFFFAOYSA-N 1 0 442.604 2.667 50 0 IFAARO CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCN(CC[NH+](C)C)CC3)cc21 ZINC000034836231 555914265 /nfs/dbraw/zinc/91/42/65/555914265.db2.gz MUTSIXBKQYKSHM-UHFFFAOYSA-N 1 0 442.604 2.620 50 0 IFAARO O[C@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)COc1ccc(OC(F)(F)F)cc1 ZINC000003467472 555936016 /nfs/dbraw/zinc/93/60/16/555936016.db2.gz OSOCSYOUEXJNHU-LLVKDONJSA-N 1 0 440.344 2.835 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009194435 556254528 /nfs/dbraw/zinc/25/45/28/556254528.db2.gz SEXDYYIFYQXHMC-UHFFFAOYSA-N 1 0 449.870 2.552 50 0 IFAARO CCc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(OC)nn1 ZINC000032763157 556331489 /nfs/dbraw/zinc/33/14/89/556331489.db2.gz QKGXAMXUQVUVTB-KRWDZBQOSA-N 1 0 426.546 2.862 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014022232 556357159 /nfs/dbraw/zinc/35/71/59/556357159.db2.gz FUUSMKYSZXZWCT-QFIPXVFZSA-N 1 0 445.560 2.760 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014111377 556369825 /nfs/dbraw/zinc/36/98/25/556369825.db2.gz DWLKGHNZUKMITA-INIZCTEOSA-N 1 0 447.523 2.707 50 0 IFAARO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)n2)c(OC)c1OC ZINC000011879946 556372193 /nfs/dbraw/zinc/37/21/93/556372193.db2.gz CGHURMJGVGMYCM-KRWDZBQOSA-N 1 0 446.548 2.839 50 0 IFAARO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)N(Cc2c(F)cccc2F)C1 ZINC000011881271 556372851 /nfs/dbraw/zinc/37/28/51/556372851.db2.gz WZSAOPHIASBDLU-UZLBHIALSA-N 1 0 449.571 2.598 50 0 IFAARO CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000014171443 556382003 /nfs/dbraw/zinc/38/20/03/556382003.db2.gz PUFXZEXDLXHGRR-UHFFFAOYSA-N 1 0 434.587 2.771 50 0 IFAARO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)ccc1O ZINC000011972810 556382888 /nfs/dbraw/zinc/38/28/88/556382888.db2.gz RUMDEUSQOQRWIQ-KRWDZBQOSA-N 1 0 435.528 2.850 50 0 IFAARO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nnc(CNC(=O)CCc4cccnc4)n3CC1)=CC2 ZINC000011997535 556384695 /nfs/dbraw/zinc/38/46/95/556384695.db2.gz IGSASIIGJXPTLE-SFTDATJTSA-N 1 0 434.588 2.773 50 0 IFAARO COc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)o1 ZINC000012025341 556387820 /nfs/dbraw/zinc/38/78/20/556387820.db2.gz GXIIRRFMVLVFSZ-UHFFFAOYSA-N 1 0 429.517 2.605 50 0 IFAARO Cn1cnnc1Sc1ccc(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)o1 ZINC000012028329 556388212 /nfs/dbraw/zinc/38/82/12/556388212.db2.gz ZHRJFYWMTYGPAM-JOCHJYFZSA-N 1 0 443.573 2.723 50 0 IFAARO CC(C)CC[C@]1(C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000012035060 556389561 /nfs/dbraw/zinc/38/95/61/556389561.db2.gz BNXIJKJZHNSJKR-VFOTVIGXSA-N 1 0 444.620 2.726 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccccn1 ZINC000012048494 556391878 /nfs/dbraw/zinc/39/18/78/556391878.db2.gz WFSXTNPFACDAOQ-UHFFFAOYSA-N 1 0 446.433 2.560 50 0 IFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000012074672 556397219 /nfs/dbraw/zinc/39/72/19/556397219.db2.gz JFCSXBKGDJWQCP-FQEVSTJZSA-N 1 0 448.567 2.818 50 0 IFAARO O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022931738 556404545 /nfs/dbraw/zinc/40/45/45/556404545.db2.gz UDWXTWUOHYMSMC-UHFFFAOYSA-N 1 0 448.611 2.520 50 0 IFAARO CC(C)[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000012947103 556417786 /nfs/dbraw/zinc/41/77/86/556417786.db2.gz IGDFYCLNRVYFRT-UHFFFAOYSA-N 1 0 427.998 2.730 50 0 IFAARO Cn1ccnc1CN1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[C@H](C[NH+]2CCCC2)C1 ZINC000014543641 556426467 /nfs/dbraw/zinc/42/64/67/556426467.db2.gz HTHTVFGMOXOIML-IFMALSPDSA-N 1 0 448.615 2.794 50 0 IFAARO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)cc1 ZINC000012992541 556428899 /nfs/dbraw/zinc/42/88/99/556428899.db2.gz AAHLDPIRXYHARN-UHFFFAOYSA-N 1 0 449.617 2.671 50 0 IFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1sccc1C)CC2 ZINC000014733842 556437835 /nfs/dbraw/zinc/43/78/35/556437835.db2.gz KKRCMERNAMYSCW-UHFFFAOYSA-N 1 0 428.558 2.897 50 0 IFAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCOC)o1 ZINC000014741339 556438752 /nfs/dbraw/zinc/43/87/52/556438752.db2.gz BWCRHNMEFAQCNU-UHFFFAOYSA-N 1 0 426.517 2.682 50 0 IFAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H](c2ccncc2)N2CCOCC2)c1 ZINC000014882457 556454485 /nfs/dbraw/zinc/45/44/85/556454485.db2.gz LTEFRYWIEIWAPK-UPVQGACJSA-N 1 0 438.572 2.634 50 0 IFAARO COc1ccc(CC[C@H](C)[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000014976622 556469250 /nfs/dbraw/zinc/46/92/50/556469250.db2.gz FGAORUZLVMDWQM-IBGZPJMESA-N 1 0 448.571 2.534 50 0 IFAARO CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000014994619 556477079 /nfs/dbraw/zinc/47/70/79/556477079.db2.gz RZLBKDOCTSUOEQ-LJQANCHMSA-N 1 0 449.555 2.991 50 0 IFAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)c1 ZINC000015003525 556480859 /nfs/dbraw/zinc/48/08/59/556480859.db2.gz ZAIQXDPEGUBARO-VQTJNVASSA-N 1 0 428.529 2.614 50 0 IFAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)c1 ZINC000015003528 556480945 /nfs/dbraw/zinc/48/09/45/556480945.db2.gz ZAIQXDPEGUBARO-WOJBJXKFSA-N 1 0 428.529 2.614 50 0 IFAARO COc1cccc(OC[C@H](O)CN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)c1 ZINC000015007733 556482259 /nfs/dbraw/zinc/48/22/59/556482259.db2.gz UOJSKHSLEPVZDC-VQTJNVASSA-N 1 0 446.519 2.624 50 0 IFAARO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000072289516 556483842 /nfs/dbraw/zinc/48/38/42/556483842.db2.gz MDQAGVIRVRKKJF-FRRDWIJNSA-N 1 0 436.405 2.998 50 0 IFAARO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000060100862 556515840 /nfs/dbraw/zinc/51/58/40/556515840.db2.gz YJSAVJANJHJBAN-UHFFFAOYSA-N 1 0 432.450 2.814 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000015671252 556542251 /nfs/dbraw/zinc/54/22/51/556542251.db2.gz VLRGNBVBCDSIBY-UHFFFAOYSA-N 1 0 429.590 2.821 50 0 IFAARO COc1ccccc1CNC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000016021107 556575033 /nfs/dbraw/zinc/57/50/33/556575033.db2.gz MDUCHHWJBXGZKD-MTNXOHHFSA-N 1 0 435.568 2.949 50 0 IFAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016024793 556576271 /nfs/dbraw/zinc/57/62/71/556576271.db2.gz VRZPEEWGOMJIFO-PWSZPPJVSA-N 1 0 437.927 2.959 50 0 IFAARO NC(=O)c1cc([C@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589457 556578164 /nfs/dbraw/zinc/57/81/64/556578164.db2.gz MUDKZNGUXRBVIH-TZIWHRDSSA-N 1 0 434.492 2.828 50 0 IFAARO COc1cc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc2c1OCO2 ZINC000036385685 556597898 /nfs/dbraw/zinc/59/78/98/556597898.db2.gz VZALLNNMEHYRSD-UHFFFAOYSA-N 1 0 429.561 2.723 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000032916458 556615377 /nfs/dbraw/zinc/61/53/77/556615377.db2.gz HZIVWSGYTQNZEV-UHFFFAOYSA-N 1 0 427.998 2.733 50 0 IFAARO CCOc1c(Br)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000016688092 556626118 /nfs/dbraw/zinc/62/61/18/556626118.db2.gz XIBHSABFDMGCBD-UHFFFAOYSA-N 1 0 443.363 2.836 50 0 IFAARO CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCC[NH+]2CCCCC2)c2ccccc21 ZINC000005087007 556631965 /nfs/dbraw/zinc/63/19/65/556631965.db2.gz AYVSJVAROLYJEY-UHFFFAOYSA-N 1 0 426.561 2.685 50 0 IFAARO CCc1cc2c(cc3c(=O)n(CC(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)ncn23)s1 ZINC000005131634 556639157 /nfs/dbraw/zinc/63/91/57/556639157.db2.gz DBXRBZHNQFLVLG-HOTGVXAUSA-N 1 0 429.590 2.757 50 0 IFAARO COc1cc(CNCCC[NH2+]CCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720886 556647168 /nfs/dbraw/zinc/64/71/68/556647168.db2.gz ZQNXUHRFEKZLSI-UHFFFAOYSA-N 1 0 435.952 2.736 50 0 IFAARO COc1c(Br)cc(C[NH2+]CCSc2nnnn2C)cc1Br ZINC000040721838 556647614 /nfs/dbraw/zinc/64/76/14/556647614.db2.gz NDOXXQZLRQZIJZ-UHFFFAOYSA-N 1 0 437.161 2.626 50 0 IFAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc(OC)c1 ZINC000011783089 556655319 /nfs/dbraw/zinc/65/53/19/556655319.db2.gz VLAHTJLOEFFASB-OAHLLOKOSA-N 1 0 439.516 2.746 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000100777838 556669546 /nfs/dbraw/zinc/66/95/46/556669546.db2.gz WNYSZEZUHUALTK-ZUVQJFRASA-N 1 0 442.519 2.931 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248262064 556677634 /nfs/dbraw/zinc/67/76/34/556677634.db2.gz WNYSZEZUHUALTK-BOCITWAFSA-N 1 0 442.519 2.931 50 0 IFAARO CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(OC)c2)cc1 ZINC000045966706 556688849 /nfs/dbraw/zinc/68/88/49/556688849.db2.gz DJJFHPFDWMHJKW-UHFFFAOYSA-N 1 0 425.529 2.558 50 0 IFAARO CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966865 556689012 /nfs/dbraw/zinc/68/90/12/556689012.db2.gz PBSZZLISACPONL-UHFFFAOYSA-N 1 0 429.483 2.785 50 0 IFAARO COCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2)s1 ZINC000033027606 556707109 /nfs/dbraw/zinc/70/71/09/556707109.db2.gz XRNPMZWRVUWRJL-OAHLLOKOSA-N 1 0 431.562 2.789 50 0 IFAARO O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000033032568 556712848 /nfs/dbraw/zinc/71/28/48/556712848.db2.gz WMEAJLZZJMZYLK-UHFFFAOYSA-N 1 0 434.309 2.662 50 0 IFAARO COc1cc(CN2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc(OC)c1 ZINC000019221221 556715404 /nfs/dbraw/zinc/71/54/04/556715404.db2.gz BAKPTZCAFIXNEW-JOCHJYFZSA-N 1 0 445.604 2.675 50 0 IFAARO Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000072328164 556724635 /nfs/dbraw/zinc/72/46/35/556724635.db2.gz BGTXMDCWCOPCPA-UHFFFAOYSA-N 1 0 431.558 2.727 50 0 IFAARO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000170676634 556733214 /nfs/dbraw/zinc/73/32/14/556733214.db2.gz CXYNONVFACWLAY-CYBMUJFWSA-N 1 0 429.464 2.760 50 0 IFAARO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680171 556734915 /nfs/dbraw/zinc/73/49/15/556734915.db2.gz CQJIGPOAHHTBDW-YADHBBJMSA-N 1 0 428.621 2.545 50 0 IFAARO O=C(CCN1CCCO1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055243795 556738674 /nfs/dbraw/zinc/73/86/74/556738674.db2.gz RVBLTJPUUQGWFS-HXUWFJFHSA-N 1 0 440.510 2.846 50 0 IFAARO COc1ccc(OC)c(CNC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)c1 ZINC000033048264 556744258 /nfs/dbraw/zinc/74/42/58/556744258.db2.gz MEQCQDCCVVYZQF-UHFFFAOYSA-N 1 0 441.557 2.699 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCCc3nc(-c4cccs4)no3)cn2)CC1 ZINC000058101558 556758317 /nfs/dbraw/zinc/75/83/17/556758317.db2.gz JFHMLEJPWMHGMT-UHFFFAOYSA-N 1 0 440.573 2.974 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC000058144330 556761423 /nfs/dbraw/zinc/76/14/23/556761423.db2.gz YAOHMCBUQAKYRN-HOZJOUCCSA-N 1 0 426.561 2.501 50 0 IFAARO C[NH+](C)C[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](O)c1ccccc1 ZINC000058146474 556761649 /nfs/dbraw/zinc/76/16/49/556761649.db2.gz XBGIHIPTYWXXSD-HNAYVOBHSA-N 1 0 439.965 2.776 50 0 IFAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2C1 ZINC000062007130 556765418 /nfs/dbraw/zinc/76/54/18/556765418.db2.gz QWYQKMVARUYIMF-UHFFFAOYSA-N 1 0 448.523 2.944 50 0 IFAARO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)cc1S(=O)(=O)NC1CC1 ZINC000058244237 556774718 /nfs/dbraw/zinc/77/47/18/556774718.db2.gz GVEXJPOPASXNNS-GOSISDBHSA-N 1 0 435.590 2.663 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000058343764 556782091 /nfs/dbraw/zinc/78/20/91/556782091.db2.gz XZICKAOIGWICNT-IBGZPJMESA-N 1 0 426.521 2.581 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC000058776137 556792034 /nfs/dbraw/zinc/79/20/34/556792034.db2.gz CCQHXWVAFZIXCO-QFIPXVFZSA-N 1 0 436.600 2.836 50 0 IFAARO C[N@H+](Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCCCC1 ZINC000059888568 556805309 /nfs/dbraw/zinc/80/53/09/556805309.db2.gz PTFIVVAPEULCPI-UHFFFAOYSA-N 1 0 442.585 2.565 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)s2)cc1 ZINC000033061871 556817550 /nfs/dbraw/zinc/81/75/50/556817550.db2.gz OUIWPOWTFYMRIA-INIZCTEOSA-N 1 0 445.589 2.970 50 0 IFAARO Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799880 556827263 /nfs/dbraw/zinc/82/72/63/556827263.db2.gz MNRCEVQYDJUPIO-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)CC1 ZINC000019635486 556834776 /nfs/dbraw/zinc/83/47/76/556834776.db2.gz DTMGVDWBNKLNRX-QFIPXVFZSA-N 1 0 425.573 2.853 50 0 IFAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000065363844 556835176 /nfs/dbraw/zinc/83/51/76/556835176.db2.gz IEPHSSXNGYQPBH-UHFFFAOYSA-N 1 0 442.585 2.784 50 0 IFAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccccc2F)CC1)c1ccccc1F ZINC000019640908 556837332 /nfs/dbraw/zinc/83/73/32/556837332.db2.gz ZPULREDYDZIQSZ-UHFFFAOYSA-N 1 0 444.526 2.522 50 0 IFAARO CN(Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067338799 556842462 /nfs/dbraw/zinc/84/24/62/556842462.db2.gz GIMAIVRSKUMWFS-UHFFFAOYSA-N 1 0 435.977 2.985 50 0 IFAARO O=C(NCC[NH+]1CCCCCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131484 556871897 /nfs/dbraw/zinc/87/18/97/556871897.db2.gz GHORYFXYXGISKV-UHFFFAOYSA-N 1 0 446.038 2.683 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131489 556871998 /nfs/dbraw/zinc/87/19/98/556871998.db2.gz DFBCTHZHMCGZCB-HNNXBMFYSA-N 1 0 446.038 2.682 50 0 IFAARO Cc1ccc(CN2C[C@@H](C(=O)NCCC[N@H+]3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 ZINC000033135400 556872459 /nfs/dbraw/zinc/87/24/59/556872459.db2.gz QIUQNOZTESHRCK-LOSJGSFVSA-N 1 0 448.611 2.839 50 0 IFAARO CC[NH+](CC)CCNC(=O)C1CCN(c2ccc3nnc(-c4cccc(C)c4)n3n2)CC1 ZINC000033260225 556896970 /nfs/dbraw/zinc/89/69/70/556896970.db2.gz BNIFBKVPOYFDRH-UHFFFAOYSA-N 1 0 435.576 2.774 50 0 IFAARO CC(C)[NH+]1CCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000019835834 556928095 /nfs/dbraw/zinc/92/80/95/556928095.db2.gz PPILBUQESKRWQN-DEOSSOPVSA-N 1 0 429.536 2.708 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cc(C)cc(C)c2)CC3)cc1 ZINC000019836378 556928458 /nfs/dbraw/zinc/92/84/58/556928458.db2.gz SHQPQFNVBGFRFP-UHFFFAOYSA-N 1 0 433.556 2.934 50 0 IFAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)CC1 ZINC000019841592 556929772 /nfs/dbraw/zinc/92/97/72/556929772.db2.gz MOLRVHFTZQILKH-JOCHJYFZSA-N 1 0 425.573 2.853 50 0 IFAARO [NH3+]C1(C(=O)N2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CCCCC1 ZINC000097019873 556979207 /nfs/dbraw/zinc/97/92/07/556979207.db2.gz RWSZVYKSPBQFQJ-UHFFFAOYSA-N 1 0 428.537 2.907 50 0 IFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000020109694 556984817 /nfs/dbraw/zinc/98/48/17/556984817.db2.gz PZNRZTRXERHAJQ-WOJBJXKFSA-N 1 0 432.948 2.988 50 0 IFAARO C=Cc1ccc(N2CCC3(CN(CCCN4CC[NH+](C(C)C)CC4)C(=O)O3)CC2)nc1 ZINC000077297950 556998700 /nfs/dbraw/zinc/99/87/00/556998700.db2.gz RJJRMDYAPNOCNU-UHFFFAOYSA-N 1 0 427.593 2.932 50 0 IFAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCCC2)c1 ZINC000048264437 557050477 /nfs/dbraw/zinc/05/04/77/557050477.db2.gz YKTRSKKUDLTTGA-WIYYLYMNSA-N 1 0 430.549 2.696 50 0 IFAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCCC2)c1 ZINC000048264442 557050498 /nfs/dbraw/zinc/05/04/98/557050498.db2.gz YKTRSKKUDLTTGA-GHTZIAJQSA-N 1 0 430.549 2.696 50 0 IFAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(Cl)c2)ccc1N1CC[NH2+]CC1 ZINC000033275457 557054262 /nfs/dbraw/zinc/05/42/62/557054262.db2.gz WUUWSYLBXWLWQW-UHFFFAOYSA-N 1 0 436.965 2.609 50 0 IFAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000048309481 557059950 /nfs/dbraw/zinc/05/99/50/557059950.db2.gz AEWJBIXXIZVCOE-SFHVURJKSA-N 1 0 441.503 2.540 50 0 IFAARO CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1=O ZINC000048361823 557073253 /nfs/dbraw/zinc/07/32/53/557073253.db2.gz RZABDNFLVJVIAW-HDICACEKSA-N 1 0 428.577 2.891 50 0 IFAARO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H](C)[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000048361662 557073633 /nfs/dbraw/zinc/07/36/33/557073633.db2.gz WFTCTBMYTZPMNR-AOIWGVFYSA-N 1 0 433.597 2.563 50 0 IFAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1 ZINC000024833931 557166026 /nfs/dbraw/zinc/16/60/26/557166026.db2.gz WUHSYHAIJUXOGS-ROUUACIJSA-N 1 0 435.524 2.712 50 0 IFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000011559935 557182567 /nfs/dbraw/zinc/18/25/67/557182567.db2.gz DXMHZMVPUSPECR-UHFFFAOYSA-N 1 0 429.546 2.539 50 0 IFAARO O=C(COc1ccccc1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCCC1 ZINC000025262320 557201817 /nfs/dbraw/zinc/20/18/17/557201817.db2.gz QNVFYIIRTVSKAC-QHCPKHFHSA-N 1 0 441.547 2.990 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc(F)c1 ZINC000018016931 557214071 /nfs/dbraw/zinc/21/40/71/557214071.db2.gz ZZBZGHZSQCIWOL-OAQYLSRUSA-N 1 0 445.516 2.930 50 0 IFAARO O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100041738 557238601 /nfs/dbraw/zinc/23/86/01/557238601.db2.gz NPPXRFMWYOCJIN-GOSISDBHSA-N 1 0 427.888 2.518 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C(C)C)c1 ZINC000027676162 557271219 /nfs/dbraw/zinc/27/12/19/557271219.db2.gz FUTDVGCLRMYCNB-UYAOXDASSA-N 1 0 433.574 2.939 50 0 IFAARO CC(C)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 ZINC000014129412 557308209 /nfs/dbraw/zinc/30/82/09/557308209.db2.gz UGNVCKCGURHLAP-UHFFFAOYSA-N 1 0 431.558 2.557 50 0 IFAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000023721823 557372166 /nfs/dbraw/zinc/37/21/66/557372166.db2.gz HFEBWQUZAONHQX-QGZVFWFLSA-N 1 0 437.587 2.607 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000106020373 557512815 /nfs/dbraw/zinc/51/28/15/557512815.db2.gz DAOJFFLKJUBXET-BREDGVMVSA-N 1 0 425.485 2.504 50 0 IFAARO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000013128794 557521358 /nfs/dbraw/zinc/52/13/58/557521358.db2.gz SOWFAYDYJAUDDB-NQIIRXRSSA-N 1 0 434.540 2.622 50 0 IFAARO C[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000106637482 557531016 /nfs/dbraw/zinc/53/10/16/557531016.db2.gz KCGHMMOJZYXEQA-QFAYOBOISA-N 1 0 445.541 2.829 50 0 IFAARO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3C[N@@H+]3CCC[C@H]3CO)c2c1C ZINC000106924729 557533635 /nfs/dbraw/zinc/53/36/35/557533635.db2.gz WKNMYJDJDRXGTD-OALUTQOASA-N 1 0 445.633 2.566 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)c1 ZINC000045974459 557556285 /nfs/dbraw/zinc/55/62/85/557556285.db2.gz AUTZJVBCYYMHCS-FQEVSTJZSA-N 1 0 429.586 2.530 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1C ZINC000045974469 557556335 /nfs/dbraw/zinc/55/63/35/557556335.db2.gz AYZCJADRPTUTPT-HXUWFJFHSA-N 1 0 429.586 2.530 50 0 IFAARO COc1ccc([C@@H](CN2C(=O)CN(Cc3cc(OC)cc(OC)c3)C2=O)[NH+](C)C)cc1 ZINC000225450799 557724096 /nfs/dbraw/zinc/72/40/96/557724096.db2.gz LGGMJXNIXUVFQH-OAQYLSRUSA-N 1 0 427.501 2.780 50 0 IFAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000225767931 557774944 /nfs/dbraw/zinc/77/49/44/557774944.db2.gz SWQLGKBVXBXXBE-TZIWHRDSSA-N 1 0 446.592 2.682 50 0 IFAARO CN1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@H]1c1ccccc1 ZINC000225845703 557784618 /nfs/dbraw/zinc/78/46/18/557784618.db2.gz HANQKENKIZAUFV-FYYLOGMGSA-N 1 0 438.597 2.849 50 0 IFAARO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000229980119 557834666 /nfs/dbraw/zinc/83/46/66/557834666.db2.gz KNQIJHJGMGDGQA-PKOBYXMFSA-N 1 0 445.608 2.849 50 0 IFAARO CC(C)[NH+](CCNS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)C ZINC000240333505 557845269 /nfs/dbraw/zinc/84/52/69/557845269.db2.gz FDRGRBVDYWWUNQ-HXUWFJFHSA-N 1 0 425.595 2.683 50 0 IFAARO CC[NH+](CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21 ZINC000002943092 562930940 /nfs/dbraw/zinc/93/09/40/562930940.db2.gz FZKTYBCULIQNKK-UHFFFAOYSA-N 1 0 438.528 2.865 50 0 IFAARO C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000003310137 562934052 /nfs/dbraw/zinc/93/40/52/562934052.db2.gz XHNFEZPKWCWRQW-LLVKDONJSA-N 1 0 441.903 2.578 50 0 IFAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004111159 562942019 /nfs/dbraw/zinc/94/20/19/562942019.db2.gz IMUYRHYEPBBRIX-QFIPXVFZSA-N 1 0 435.634 2.509 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC[NH+](C)C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004143994 562942342 /nfs/dbraw/zinc/94/23/42/562942342.db2.gz DYMRSCPTKMATHW-DRQCUQGNSA-N 1 0 443.588 2.696 50 0 IFAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2nc(C)cs2)c2c1CCCC2 ZINC000009747104 562976513 /nfs/dbraw/zinc/97/65/13/562976513.db2.gz KSFOEWUVSNWPQV-UHFFFAOYSA-N 1 0 435.619 2.960 50 0 IFAARO CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000023374875 568613612 /nfs/dbraw/zinc/61/36/12/568613612.db2.gz CACBTUJUOPDWNL-QHCPKHFHSA-N 1 0 429.584 2.957 50 0 IFAARO Cn1nnnc1SCCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000261492231 568734838 /nfs/dbraw/zinc/73/48/38/568734838.db2.gz WHNBYELVBIRQLT-UHFFFAOYSA-N 1 0 438.536 2.928 50 0 IFAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]Cc3ccc(C(=O)OC)cc3)CC2)c1 ZINC000299788126 568757682 /nfs/dbraw/zinc/75/76/82/568757682.db2.gz VKMGZSLYSMIVPC-UHFFFAOYSA-N 1 0 431.558 2.993 50 0 IFAARO C[C@H]1C[C@H](CCNC(=O)c2ccccc2CN2C(=O)CNC2=O)C[N@@H+]1Cc1ccccc1 ZINC000084686445 568799786 /nfs/dbraw/zinc/79/97/86/568799786.db2.gz ZJZMXILVFRBZTR-ICSRJNTNSA-N 1 0 434.540 2.769 50 0 IFAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000084760880 568801054 /nfs/dbraw/zinc/80/10/54/568801054.db2.gz FSRWKVMOAWPLPH-IBGZPJMESA-N 1 0 445.589 2.894 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccc(OC)c1 ZINC000012821407 568831520 /nfs/dbraw/zinc/83/15/20/568831520.db2.gz ZOSKAXSTYZCHMJ-LJQANCHMSA-N 1 0 439.965 2.809 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]21 ZINC000015957155 568859878 /nfs/dbraw/zinc/85/98/78/568859878.db2.gz WZHLIHJBDWMWBH-YDLHNXBPSA-N 1 0 435.549 2.982 50 0 IFAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000015958652 568860301 /nfs/dbraw/zinc/86/03/01/568860301.db2.gz NIYSKYYDTNLVOT-DDOIHHOZSA-N 1 0 427.570 2.665 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000015968854 568861492 /nfs/dbraw/zinc/86/14/92/568861492.db2.gz SWVRIMJCONVLAH-GBWYYYKWSA-N 1 0 433.508 2.580 50 0 IFAARO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cnc2cc[nH]cc-2c1=O ZINC000390832771 568909439 /nfs/dbraw/zinc/90/94/39/568909439.db2.gz LINQICIJEJNNTK-UHFFFAOYSA-N 1 0 426.904 2.850 50 0 IFAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000239306065 568911071 /nfs/dbraw/zinc/91/10/71/568911071.db2.gz GJOLZHRPGPDNFT-MJGOQNOKSA-N 1 0 433.599 2.807 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000245326441 568915089 /nfs/dbraw/zinc/91/50/89/568915089.db2.gz KBYNEFDHULKTTC-HKMBFBJRSA-N 1 0 434.334 2.624 50 0 IFAARO O=C(Nc1ccccc1)N1CCN(c2nc(CN3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926798 568931665 /nfs/dbraw/zinc/93/16/65/568931665.db2.gz BNRITWCWAIAOFD-UHFFFAOYSA-N 1 0 444.539 2.682 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000064746478 568949813 /nfs/dbraw/zinc/94/98/13/568949813.db2.gz NRJOOKGVKYKXMO-UHFFFAOYSA-N 1 0 447.539 2.968 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2c(C)onc2-c2ccc(Br)s2)CC1 ZINC000064820217 568966976 /nfs/dbraw/zinc/96/69/76/568966976.db2.gz NIERHOLZDQBCDO-UHFFFAOYSA-N 1 0 427.368 2.841 50 0 IFAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839378 568969806 /nfs/dbraw/zinc/96/98/06/568969806.db2.gz QFHLALFCCFYILV-IBGZPJMESA-N 1 0 431.540 2.915 50 0 IFAARO O[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679134 568990162 /nfs/dbraw/zinc/99/01/62/568990162.db2.gz KANNSZLAUQIRLT-GOTSBHOMSA-N 1 0 427.520 2.514 50 0 IFAARO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1 ZINC000036309579 568996462 /nfs/dbraw/zinc/99/64/62/568996462.db2.gz ALHDRLXCNNNHDW-NQIIRXRSSA-N 1 0 448.560 2.864 50 0 IFAARO CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000064958075 568999322 /nfs/dbraw/zinc/99/93/22/568999322.db2.gz FETADDHMKAVFRQ-LJQANCHMSA-N 1 0 445.589 2.538 50 0 IFAARO CC[NH+]1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)nn2)CC1 ZINC000065009302 569087911 /nfs/dbraw/zinc/08/79/11/569087911.db2.gz HGGZKSUTOKUBOJ-UHFFFAOYSA-N 1 0 429.590 2.769 50 0 IFAARO CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)CC1 ZINC000065023715 569089494 /nfs/dbraw/zinc/08/94/94/569089494.db2.gz BTLHSQZJJBJSAK-JOCHJYFZSA-N 1 0 436.604 2.504 50 0 IFAARO Cc1ccccc1CNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000065074705 569098987 /nfs/dbraw/zinc/09/89/87/569098987.db2.gz BULXLVMTRJCJJV-UHFFFAOYSA-N 1 0 447.004 2.963 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)NCc1cccc(OC)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153570 569111971 /nfs/dbraw/zinc/11/19/71/569111971.db2.gz OAFMKVKQABWXQS-UHFFFAOYSA-N 1 0 446.551 2.689 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000524731969 569126816 /nfs/dbraw/zinc/12/68/16/569126816.db2.gz RBJPGCBXVMWHJB-SIKLNZKXSA-N 1 0 426.561 2.526 50 0 IFAARO COc1ccc(C[NH+]2CCC(NC(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1 ZINC000524733966 569128021 /nfs/dbraw/zinc/12/80/21/569128021.db2.gz JGJDZMVDILOSDX-UHFFFAOYSA-N 1 0 426.565 2.803 50 0 IFAARO CCOc1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3nc2N2CC[NH+](CC)CC2)cc1 ZINC000065306599 569133436 /nfs/dbraw/zinc/13/34/36/569133436.db2.gz GCJLIBQOMZDRCH-UHFFFAOYSA-N 1 0 436.512 2.713 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314183 569135451 /nfs/dbraw/zinc/13/54/51/569135451.db2.gz HUPUXZXVIJUHPN-QFIPXVFZSA-N 1 0 437.588 2.500 50 0 IFAARO CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000170616783 569146781 /nfs/dbraw/zinc/14/67/81/569146781.db2.gz PXCWTDLZWXMPBO-KRWDZBQOSA-N 1 0 439.503 2.948 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000010217820 569153405 /nfs/dbraw/zinc/15/34/05/569153405.db2.gz RDCRFRAVTVFIAV-YLJYHZDGSA-N 1 0 449.548 2.773 50 0 IFAARO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cn1cnc2ccccc2c1=O ZINC000089702558 569161889 /nfs/dbraw/zinc/16/18/89/569161889.db2.gz DDGMLLXIXKJXSK-HXUWFJFHSA-N 1 0 442.523 2.987 50 0 IFAARO O=C(CN(C1CC1)S(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000089834898 569165259 /nfs/dbraw/zinc/16/52/59/569165259.db2.gz NEQWFULYNYFQCZ-LJQANCHMSA-N 1 0 449.523 2.972 50 0 IFAARO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000017026485 569171116 /nfs/dbraw/zinc/17/11/16/569171116.db2.gz UTZWYLCDYHBLCD-UHFFFAOYSA-N 1 0 445.589 2.603 50 0 IFAARO COc1ccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4cccc(OC)c4)c3c2N)cc1 ZINC000037360501 569181458 /nfs/dbraw/zinc/18/14/58/569181458.db2.gz UTHZADDSQPKPPD-UHFFFAOYSA-N 1 0 445.527 2.834 50 0 IFAARO COc1ccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037360476 569181474 /nfs/dbraw/zinc/18/14/74/569181474.db2.gz VBNORWQPIWGOBA-UHFFFAOYSA-N 1 0 433.491 2.964 50 0 IFAARO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+](C)C)CC(=O)N23)c1 ZINC000002157423 569187568 /nfs/dbraw/zinc/18/75/68/569187568.db2.gz QKRMGQWGVIDUHD-WIOPSUGQSA-N 1 0 446.551 2.813 50 0 IFAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)CC1 ZINC000581819785 569211602 /nfs/dbraw/zinc/21/16/02/569211602.db2.gz KTGDRHRRYYRDOF-OAQYLSRUSA-N 1 0 435.634 2.663 50 0 IFAARO O=C(NC1CCCCC1)[C@@H]1C(=O)C(=O)N(C2CCCCC2)C(=O)[C@@H]1[NH2+]C1CCCCC1 ZINC000107988095 569258775 /nfs/dbraw/zinc/25/87/75/569258775.db2.gz AJSNGWPXOSLKIO-VQTJNVASSA-N 1 0 431.577 2.613 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000253386480 569264096 /nfs/dbraw/zinc/26/40/96/569264096.db2.gz WWVKMMNZJNDWBR-RULACWDSSA-N 1 0 445.903 2.502 50 0 IFAARO Cc1cc(N2CCC(CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)cc[nH+]1 ZINC000253407136 569265497 /nfs/dbraw/zinc/26/54/97/569265497.db2.gz VPUODUFWHOAFLU-UHFFFAOYSA-N 1 0 449.555 2.878 50 0 IFAARO CCCCn1c(N)c(N(CCC(C)C)C(=O)C[NH2+][C@@H](C)c2ccccc2)c(=O)[nH]c1=O ZINC000013096344 569309582 /nfs/dbraw/zinc/30/95/82/569309582.db2.gz XWHJQMWOBHQEAL-KRWDZBQOSA-N 1 0 429.565 2.649 50 0 IFAARO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC(=O)NCc2ccco2)[C@H]2CCCC[C@H]12 ZINC000078725984 569318689 /nfs/dbraw/zinc/31/86/89/569318689.db2.gz OYBLANNHSRRSGN-UFHDJZAFSA-N 1 0 432.565 2.789 50 0 IFAARO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000078808643 569319198 /nfs/dbraw/zinc/31/91/98/569319198.db2.gz RUZLCAZGCJAGQW-UHFFFAOYSA-N 1 0 428.577 2.735 50 0 IFAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)c4cc[nH+]cc43)cc2)C1 ZINC000079055357 569323636 /nfs/dbraw/zinc/32/36/36/569323636.db2.gz WOSSBBBOFWDVRX-IRXDYDNUSA-N 1 0 428.558 2.845 50 0 IFAARO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cc1 ZINC000079066773 569324257 /nfs/dbraw/zinc/32/42/57/569324257.db2.gz TVHPXHHSXHPMDB-OAQYLSRUSA-N 1 0 425.529 2.823 50 0 IFAARO COC(=O)[C@@]1(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071265 569324519 /nfs/dbraw/zinc/32/45/19/569324519.db2.gz JTHAMERIJLCMFD-AREMUKBSSA-N 1 0 449.551 2.680 50 0 IFAARO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000079096481 569325380 /nfs/dbraw/zinc/32/53/80/569325380.db2.gz PYDPXGHPUAXYGQ-GOSISDBHSA-N 1 0 433.599 2.927 50 0 IFAARO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000020074036 569333809 /nfs/dbraw/zinc/33/38/09/569333809.db2.gz JLWKYXGVUIJLQK-UHFFFAOYSA-N 1 0 431.318 2.858 50 0 IFAARO C[NH+](C)C(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000095348939 569361684 /nfs/dbraw/zinc/36/16/84/569361684.db2.gz HEKSOOURNXAGQZ-UHFFFAOYSA-N 1 0 435.512 2.563 50 0 IFAARO COc1cc2c(cc1OC)-c1cc(N3CC[NH+](Cc4ccccc4)CC3)nc(=O)n1CC2 ZINC000020358195 569361829 /nfs/dbraw/zinc/36/18/29/569361829.db2.gz IRDMNGACOBQWBV-UHFFFAOYSA-N 1 0 432.524 2.806 50 0 IFAARO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000095430481 569366074 /nfs/dbraw/zinc/36/60/74/569366074.db2.gz NCSHHLFIFHJFRV-NQIIRXRSSA-N 1 0 430.593 2.952 50 0 IFAARO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095440472 569366532 /nfs/dbraw/zinc/36/65/32/569366532.db2.gz JMTUGGAQWNWTJQ-TXEJJXNPSA-N 1 0 441.903 2.578 50 0 IFAARO CN1C(=O)C[C@@H](C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000095441794 569366775 /nfs/dbraw/zinc/36/67/75/569366775.db2.gz LQQQNNHDHNHXBN-TZIWHRDSSA-N 1 0 433.980 2.820 50 0 IFAARO CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC[NH+](Cc2ccncc2)CC1 ZINC000095446723 569367401 /nfs/dbraw/zinc/36/74/01/569367401.db2.gz JUGBJMQOJZXNGD-UHFFFAOYSA-N 1 0 441.601 2.656 50 0 IFAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2)C1 ZINC000095456111 569368665 /nfs/dbraw/zinc/36/86/65/569368665.db2.gz ALBLZTDCLVJBTB-VGOFRKELSA-N 1 0 449.555 2.991 50 0 IFAARO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 ZINC000095457534 569369047 /nfs/dbraw/zinc/36/90/47/569369047.db2.gz BTSVRBPAWHSOSE-UHFFFAOYSA-N 1 0 429.652 2.996 50 0 IFAARO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466515 569370953 /nfs/dbraw/zinc/37/09/53/569370953.db2.gz FXRJAIMDHMSBDZ-TZIWHRDSSA-N 1 0 427.570 2.640 50 0 IFAARO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095478475 569373517 /nfs/dbraw/zinc/37/35/17/569373517.db2.gz UJEFBOAZDKUKRL-QFIPXVFZSA-N 1 0 434.540 2.525 50 0 IFAARO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)c2ccccc12 ZINC000095954749 569376798 /nfs/dbraw/zinc/37/67/98/569376798.db2.gz LNPTYLQTSDYCBK-UHFFFAOYSA-N 1 0 434.558 2.792 50 0 IFAARO O=C(NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000056965558 569428643 /nfs/dbraw/zinc/42/86/43/569428643.db2.gz YTMZIBISHFBNFD-UHFFFAOYSA-N 1 0 447.568 2.640 50 0 IFAARO COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000230251643 569440570 /nfs/dbraw/zinc/44/05/70/569440570.db2.gz ZSWVYSLTRKUOJU-WUMKDDEVSA-N 1 0 441.597 2.568 50 0 IFAARO CC[C@@H]([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000057994633 569444365 /nfs/dbraw/zinc/44/43/65/569444365.db2.gz YWPGLKTWHOVNHS-RXXSEBCPSA-N 1 0 433.618 2.577 50 0 IFAARO Cn1c(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)ccc1-c1ccccc1 ZINC000670457517 569458883 /nfs/dbraw/zinc/45/88/83/569458883.db2.gz QDCKBTNSKAVFMP-PIFVYSLYSA-N 1 0 426.564 2.990 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008345457 569462606 /nfs/dbraw/zinc/46/26/06/569462606.db2.gz FGPXMRDIQXNIPQ-NRFANRHFSA-N 1 0 429.586 2.841 50 0 IFAARO COc1cccc(-c2cc3c(N4CCC(C(N)=O)([NH+]5CCCCC5)CC4)nccn3n2)c1 ZINC000067284840 569466816 /nfs/dbraw/zinc/46/68/16/569466816.db2.gz WMCOLBOHHVCAND-UHFFFAOYSA-N 1 0 434.544 2.715 50 0 IFAARO Cc1cn2c3c(nc2n1-c1cc(C)cc(C)c1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000008706546 569470482 /nfs/dbraw/zinc/47/04/82/569470482.db2.gz UOYZYAUHESYCPP-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO Cc1cn2c3c(nc2n1-c1cc(C)ccc1C)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000008709842 569470777 /nfs/dbraw/zinc/47/07/77/569470777.db2.gz XZAQAXZZTGIGIG-UHFFFAOYSA-N 1 0 434.544 2.550 50 0 IFAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)nc(-c3cccc(Cl)c3)nc2n(C)c1=O ZINC000008898699 569483982 /nfs/dbraw/zinc/48/39/82/569483982.db2.gz ZIQOJIAZZJIBJB-UHFFFAOYSA-N 1 0 431.949 2.536 50 0 IFAARO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@H](C)O1 ZINC000040086628 569486719 /nfs/dbraw/zinc/48/67/19/569486719.db2.gz MEBYILFTARBJIG-OWCLPIDISA-N 1 0 427.467 2.674 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000040108518 569488554 /nfs/dbraw/zinc/48/85/54/569488554.db2.gz NXLLZXYJLGXTAX-WOJBJXKFSA-N 1 0 426.561 2.810 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC2)cc1C ZINC000040157525 569494329 /nfs/dbraw/zinc/49/43/29/569494329.db2.gz DJPXCWZIFMPQSB-GOSISDBHSA-N 1 0 435.634 2.942 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276369 569518456 /nfs/dbraw/zinc/51/84/56/569518456.db2.gz PWPBOUGOPBHFPP-IBGZPJMESA-N 1 0 446.617 2.807 50 0 IFAARO Cc1cc(C)c(OC[C@H](O)C[N@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000009595103 569550678 /nfs/dbraw/zinc/55/06/78/569550678.db2.gz CQQPPAXBZHIFBR-XZOQPEGZSA-N 1 0 426.557 2.662 50 0 IFAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCO3 ZINC000009604059 569551877 /nfs/dbraw/zinc/55/18/77/569551877.db2.gz DFVFNXFYXFCMDL-GOSISDBHSA-N 1 0 427.482 2.760 50 0 IFAARO CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)s2)on1 ZINC000009689019 569560888 /nfs/dbraw/zinc/56/08/88/569560888.db2.gz ITQUYRPVZWBNNB-CQSZACIVSA-N 1 0 441.575 2.980 50 0 IFAARO COc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)c1 ZINC000009747872 569565910 /nfs/dbraw/zinc/56/59/10/569565910.db2.gz XESNGIJQHRSXHP-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009788836 569568004 /nfs/dbraw/zinc/56/80/04/569568004.db2.gz CXWDIMCDEPUUQU-FQEVSTJZSA-N 1 0 439.537 2.762 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009835246 569570647 /nfs/dbraw/zinc/57/06/47/569570647.db2.gz ZMZPBVITCMGDLY-HXUWFJFHSA-N 1 0 431.558 2.634 50 0 IFAARO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000009949537 569574267 /nfs/dbraw/zinc/57/42/67/569574267.db2.gz KNQIJHJGMGDGQA-MJGOQNOKSA-N 1 0 445.608 2.849 50 0 IFAARO CC[NH+](CC)CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000010233415 569579545 /nfs/dbraw/zinc/57/95/45/569579545.db2.gz ZELTVGZTYORULU-JLHYYAGUSA-N 1 0 434.544 2.513 50 0 IFAARO CC[NH+](CC)CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1Cl)c3=O ZINC000010233410 569579558 /nfs/dbraw/zinc/57/95/58/569579558.db2.gz VNRAQYIVJXFYBH-UHFFFAOYSA-N 1 0 442.951 2.501 50 0 IFAARO Cc1cn2c3c(nc2n1[C@@H](C)c1ccccc1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000010233504 569579614 /nfs/dbraw/zinc/57/96/14/569579614.db2.gz WOSZVOMHHGUYBL-SFHVURJKSA-N 1 0 434.544 2.553 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1 ZINC000009860865 193911390 /nfs/dbraw/zinc/91/13/90/193911390.db2.gz FTKQBQCHAGUHSS-WOJBJXKFSA-N 1 0 447.583 2.867 50 0 IFAARO Cc1cc(C)cc(N2CCCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000008708336 132291132 /nfs/dbraw/zinc/29/11/32/132291132.db2.gz AQIKDVNNABDRFJ-UHFFFAOYSA-N 1 0 436.560 2.541 50 0 IFAARO Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1C ZINC000009156964 132307138 /nfs/dbraw/zinc/30/71/38/132307138.db2.gz NNVFRJHMZZEJHA-UHFFFAOYSA-N 1 0 436.560 2.541 50 0 IFAARO C[NH+](C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000009183514 132307485 /nfs/dbraw/zinc/30/74/85/132307485.db2.gz BOFYKUOKUBGXQT-UHFFFAOYSA-N 1 0 442.589 2.901 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211121 132309009 /nfs/dbraw/zinc/30/90/09/132309009.db2.gz XNQCNWHHNTUFFF-LJQANCHMSA-N 1 0 439.608 2.761 50 0 IFAARO CSc1nc2nc(C)c(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c(C)n2n1 ZINC000009469527 132318678 /nfs/dbraw/zinc/31/86/78/132318678.db2.gz BTMCMDFIEZTLCH-UHFFFAOYSA-N 1 0 439.589 2.786 50 0 IFAARO COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c1 ZINC000011697988 132339280 /nfs/dbraw/zinc/33/92/80/132339280.db2.gz CQYZRYOFDRGDRC-UHFFFAOYSA-N 1 0 435.488 2.987 50 0 IFAARO COCCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000016993424 132357161 /nfs/dbraw/zinc/35/71/61/132357161.db2.gz BLCAAXILAZMRER-XMMPIXPASA-N 1 0 434.540 2.815 50 0 IFAARO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000020776942 519826480 /nfs/dbraw/zinc/82/64/80/519826480.db2.gz QVHKVOHANPLPCO-PXDATVDWSA-N 1 0 443.563 2.954 50 0 IFAARO CC(C)c1ccc(C[NH+]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 ZINC000021391301 519836061 /nfs/dbraw/zinc/83/60/61/519836061.db2.gz PXMOYOPDBDDFNX-UHFFFAOYSA-N 1 0 444.601 2.548 50 0 IFAARO CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC(C)(C)[NH2+]1 ZINC000012755657 520282619 /nfs/dbraw/zinc/28/26/19/520282619.db2.gz HMTMYBZHYCCSKK-UHFFFAOYSA-N 1 0 425.570 2.652 50 0 IFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557906 520511339 /nfs/dbraw/zinc/51/13/39/520511339.db2.gz HVOPZDLMLSYOCR-QFIPXVFZSA-N 1 0 444.551 2.947 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991233 520514597 /nfs/dbraw/zinc/51/45/97/520514597.db2.gz MWFLAMAJZBUEEP-SFHVURJKSA-N 1 0 441.359 2.754 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000035991517 520515276 /nfs/dbraw/zinc/51/52/76/520515276.db2.gz YUTRRDXIUUWUNM-HXUWFJFHSA-N 1 0 434.968 2.881 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991125 520515444 /nfs/dbraw/zinc/51/54/44/520515444.db2.gz SHOGXOKTVAHWTE-NRFANRHFSA-N 1 0 428.577 2.745 50 0 IFAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000020725295 520524550 /nfs/dbraw/zinc/52/45/50/520524550.db2.gz SCSGPKJIYODYBP-QHCPKHFHSA-N 1 0 449.661 2.899 50 0 IFAARO CCCC[NH2+][C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012549164 520696025 /nfs/dbraw/zinc/69/60/25/520696025.db2.gz UQGGUKNWJRSDIW-OAQYLSRUSA-N 1 0 431.558 2.777 50 0 IFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 ZINC000012716201 520844499 /nfs/dbraw/zinc/84/44/99/520844499.db2.gz HFTXHZCDZWRPSH-HXUWFJFHSA-N 1 0 431.577 2.649 50 0 IFAARO CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1 ZINC000017270935 520892015 /nfs/dbraw/zinc/89/20/15/520892015.db2.gz ZGMXYACBRLKBBR-UHFFFAOYSA-N 1 0 433.578 2.541 50 0 IFAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1 ZINC000020598421 521487530 /nfs/dbraw/zinc/48/75/30/521487530.db2.gz LFXRZIHZVWOFAO-UHFFFAOYSA-N 1 0 449.555 2.716 50 0 IFAARO CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)c1N ZINC000021651849 521577763 /nfs/dbraw/zinc/57/77/63/521577763.db2.gz RSDVWRFKJLXCNY-UHFFFAOYSA-N 1 0 425.533 2.722 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1c2ccccc2N(C(=O)Nc2ccc(C)cc2)CC1=O ZINC000021943366 521634002 /nfs/dbraw/zinc/63/40/02/521634002.db2.gz RMUVUVISQJRAJE-HXUWFJFHSA-N 1 0 449.555 2.981 50 0 IFAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805169 521658798 /nfs/dbraw/zinc/65/87/98/521658798.db2.gz NOXHOOQXZOITKA-RDPSFJRHSA-N 1 0 438.572 2.563 50 0 IFAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)cc2)CC1 ZINC000020557185 521687611 /nfs/dbraw/zinc/68/76/11/521687611.db2.gz YDUSIAWECPREPH-UHFFFAOYSA-N 1 0 444.539 2.654 50 0 IFAARO CC[NH+]1CCN([C@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097979 521696061 /nfs/dbraw/zinc/69/60/61/521696061.db2.gz CEDGPVQZKHQAHO-JOCHJYFZSA-N 1 0 431.602 2.958 50 0 IFAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)n2C)c1 ZINC000035561182 521993874 /nfs/dbraw/zinc/99/38/74/521993874.db2.gz AUWLAYOJCOATBE-UHFFFAOYSA-N 1 0 442.585 2.681 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1cccc(C)c1 ZINC000040744534 522450300 /nfs/dbraw/zinc/45/03/00/522450300.db2.gz LLCKUMGQLHBOLD-UHFFFAOYSA-N 1 0 445.907 2.721 50 0 IFAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022807083 522518001 /nfs/dbraw/zinc/51/80/01/522518001.db2.gz RGTPWQGMYSKZFM-UHFFFAOYSA-N 1 0 428.964 2.945 50 0 IFAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CCOC1=O ZINC000012715361 522659783 /nfs/dbraw/zinc/65/97/83/522659783.db2.gz HBQSWTGTZSZMGT-UHFFFAOYSA-N 1 0 427.467 2.871 50 0 IFAARO COc1cc(NC(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022766976 522696054 /nfs/dbraw/zinc/69/60/54/522696054.db2.gz QPOXRPGSORPGBN-KRWDZBQOSA-N 1 0 434.562 2.884 50 0 IFAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012190290 522819929 /nfs/dbraw/zinc/81/99/29/522819929.db2.gz OTJLIYQDVVVOQG-SFHVURJKSA-N 1 0 445.564 2.887 50 0 IFAARO C[N@H+](CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000035562488 522864370 /nfs/dbraw/zinc/86/43/70/522864370.db2.gz QLIFSNBXWLSAHA-UHFFFAOYSA-N 1 0 440.953 2.691 50 0 IFAARO COCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012430423 522927669 /nfs/dbraw/zinc/92/76/69/522927669.db2.gz AWDAGSIOJYURLK-RUZDIDTESA-N 1 0 449.595 2.894 50 0 IFAARO COCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012430422 522927752 /nfs/dbraw/zinc/92/77/52/522927752.db2.gz AWDAGSIOJYURLK-VWLOTQADSA-N 1 0 449.595 2.894 50 0 IFAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000012439632 523116329 /nfs/dbraw/zinc/11/63/29/523116329.db2.gz ZNHWEYPVNUKNFX-HXUWFJFHSA-N 1 0 436.535 2.887 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[NH+]4CCCCC4)C3)ccc21 ZINC000021937989 523496850 /nfs/dbraw/zinc/49/68/50/523496850.db2.gz WXAIMQNIIPHCQD-FQEVSTJZSA-N 1 0 446.617 2.664 50 0 IFAARO COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000012281404 523805998 /nfs/dbraw/zinc/80/59/98/523805998.db2.gz WDIDHJBLBAXKCO-XMMPIXPASA-N 1 0 431.577 2.933 50 0 IFAARO C[NH+]1CCN(CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021915636 523896663 /nfs/dbraw/zinc/89/66/63/523896663.db2.gz YICVLXOOZLGUHM-UHFFFAOYSA-N 1 0 435.528 2.536 50 0 IFAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000022766302 523918833 /nfs/dbraw/zinc/91/88/33/523918833.db2.gz LGJREAVIIAVDNL-KRWDZBQOSA-N 1 0 440.491 2.810 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423396 524112556 /nfs/dbraw/zinc/11/25/56/524112556.db2.gz KXXLUSIGEGLTKZ-QGZVFWFLSA-N 1 0 433.512 2.895 50 0 IFAARO Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000012836807 524460015 /nfs/dbraw/zinc/46/00/15/524460015.db2.gz UMEUWCNCOFWTKH-JOCHJYFZSA-N 1 0 426.605 2.600 50 0 IFAARO COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000057383516 524621931 /nfs/dbraw/zinc/62/19/31/524621931.db2.gz QOXTVKDYZNMYNH-KRWDZBQOSA-N 1 0 431.558 2.987 50 0 IFAARO COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)CCC[NH+](C)C)c3C)n2)c1 ZINC000012217651 524794533 /nfs/dbraw/zinc/79/45/33/524794533.db2.gz LRUGPVJSMUQUPT-UHFFFAOYSA-N 1 0 438.532 2.679 50 0 IFAARO Cc1ccc(N2C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@@H]2C)cc1 ZINC000012785025 524925125 /nfs/dbraw/zinc/92/51/25/524925125.db2.gz BEEUKWGDVLWDNH-IBGZPJMESA-N 1 0 434.540 2.933 50 0 IFAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2ccc(F)cc2)c1 ZINC000012455499 524968522 /nfs/dbraw/zinc/96/85/22/524968522.db2.gz LNZLVUOBUIMFHK-QFIPXVFZSA-N 1 0 432.536 2.663 50 0 IFAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1Cl ZINC000022767211 525062439 /nfs/dbraw/zinc/06/24/39/525062439.db2.gz NDHUENAZWBFPQD-KRWDZBQOSA-N 1 0 429.995 2.677 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000012597499 525134370 /nfs/dbraw/zinc/13/43/70/525134370.db2.gz WTAAKNYQSGDSDQ-QFIPXVFZSA-N 1 0 438.572 2.622 50 0 IFAARO Cc1ccccc1N1CCCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CC2CCCCC2)CC1 ZINC000020997048 525220793 /nfs/dbraw/zinc/22/07/93/525220793.db2.gz IKFMJOHUPOMEES-QHCPKHFHSA-N 1 0 426.605 2.805 50 0 IFAARO C[C@]1(CSc2ccccc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)NC(=O)NC1=O ZINC000012751943 525278120 /nfs/dbraw/zinc/27/81/20/525278120.db2.gz CSXGVNCSCLYUGJ-OPAMFIHVSA-N 1 0 442.541 2.537 50 0 IFAARO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000021534383 525327864 /nfs/dbraw/zinc/32/78/64/525327864.db2.gz OLEZYIFCKJQAST-UHFFFAOYSA-N 1 0 435.977 2.661 50 0 IFAARO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020519193 525599007 /nfs/dbraw/zinc/59/90/07/525599007.db2.gz TYLRUVIEZBZHEU-PTDBIEIZSA-N 1 0 433.961 2.756 50 0 IFAARO Cc1c(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000020782232 525705359 /nfs/dbraw/zinc/70/53/59/525705359.db2.gz PZPFVQZOCFSIJC-FQEVSTJZSA-N 1 0 426.586 2.615 50 0 IFAARO Cc1c2cnn(CC(=O)NCCC[NH+]3CCCC3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417576 525993086 /nfs/dbraw/zinc/99/30/86/525993086.db2.gz JAPQVBMIQWYPQV-UHFFFAOYSA-N 1 0 439.535 2.604 50 0 IFAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)c1 ZINC000015003531 526016860 /nfs/dbraw/zinc/01/68/60/526016860.db2.gz ZAIQXDPEGUBARO-PMACEKPBSA-N 1 0 428.529 2.614 50 0 IFAARO Cc1cc(=O)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000012509312 526128815 /nfs/dbraw/zinc/12/88/15/526128815.db2.gz UKUSDUSZFZBUSE-BGYRXZFFSA-N 1 0 425.573 2.753 50 0 IFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938379 526314185 /nfs/dbraw/zinc/31/41/85/526314185.db2.gz BBIXNCQPYJNOMQ-DEOSSOPVSA-N 1 0 447.583 2.545 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2)c1ccco1 ZINC000020999393 526464777 /nfs/dbraw/zinc/46/47/77/526464777.db2.gz MDGFHGIJMQOSSH-UHFFFAOYSA-N 1 0 433.434 2.921 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2)C1CCOCC1 ZINC000020774368 526465592 /nfs/dbraw/zinc/46/55/92/526465592.db2.gz LSOXIIJEPFFBSO-UHFFFAOYSA-N 1 0 433.556 2.575 50 0 IFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012686918 526760750 /nfs/dbraw/zinc/76/07/50/526760750.db2.gz NKFPTUPIGVBLKN-IBGZPJMESA-N 1 0 433.599 2.559 50 0 IFAARO Cc1nc(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000011840094 526963267 /nfs/dbraw/zinc/96/32/67/526963267.db2.gz ZODVLKARVZDUST-QGZVFWFLSA-N 1 0 432.590 2.858 50 0 IFAARO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000022822093 527056613 /nfs/dbraw/zinc/05/66/13/527056613.db2.gz IMFNHQHLAMMDHJ-UHFFFAOYSA-N 1 0 427.936 2.992 50 0 IFAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000012705556 527099452 /nfs/dbraw/zinc/09/94/52/527099452.db2.gz LOIHMLWXMWLAST-RUZDIDTESA-N 1 0 446.595 2.598 50 0 IFAARO O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCC1([NH+]2CCCCC2)CCCC1 ZINC000012199027 527154087 /nfs/dbraw/zinc/15/40/87/527154087.db2.gz KIACVOJRTQHUSQ-FQEVSTJZSA-N 1 0 448.558 2.570 50 0 IFAARO O=C(Nc1ccc2c(c1)OCO2)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035855791 527287348 /nfs/dbraw/zinc/28/73/48/527287348.db2.gz KNFDXNCZWASWKH-MYKUNDNFSA-N 1 0 435.524 2.991 50 0 IFAARO O=C(Cc1ccsc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020992618 527316956 /nfs/dbraw/zinc/31/69/56/527316956.db2.gz XNERPYSWOUIXNM-HXUWFJFHSA-N 1 0 427.570 2.828 50 0 IFAARO O=C(NC1CC[NH+](C2CC2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012768873 527524944 /nfs/dbraw/zinc/52/49/44/527524944.db2.gz BGBJHDGMCZLYHX-UHFFFAOYSA-N 1 0 445.629 2.709 50 0 IFAARO COc1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)CO2 ZINC000008610509 536988520 /nfs/dbraw/zinc/98/85/20/536988520.db2.gz STTLUJIKMSTCQD-IBGZPJMESA-N 1 0 427.520 2.714 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccc(F)cc1)C2=O ZINC000034810980 555908820 /nfs/dbraw/zinc/90/88/20/555908820.db2.gz DGVFVMCRCGPAIT-QGZVFWFLSA-N 1 0 427.524 2.673 50 0 IFAARO COc1ccc(CN2CCn3nc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc3C2=O)cc1 ZINC000034811529 555909089 /nfs/dbraw/zinc/90/90/89/555909089.db2.gz HCLAURJDSOUOKS-SFHVURJKSA-N 1 0 439.560 2.542 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O ZINC000034811297 555909119 /nfs/dbraw/zinc/90/91/19/555909119.db2.gz GDYLMOMDORSCSG-UHFFFAOYSA-N 1 0 433.915 2.547 50 0 IFAARO CCN1CCC[C@H]1C[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000022922112 556340941 /nfs/dbraw/zinc/34/09/41/556340941.db2.gz LMYJAEMXJWUBOW-FQEVSTJZSA-N 1 0 430.574 2.524 50 0 IFAARO CN(Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)Cc1ccncn1 ZINC000011664167 556344679 /nfs/dbraw/zinc/34/46/79/556344679.db2.gz YNDMWDBNZKLCDG-UHFFFAOYSA-N 1 0 447.587 2.847 50 0 IFAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000011786987 556353875 /nfs/dbraw/zinc/35/38/75/556353875.db2.gz JVQXWUFRTKCKGY-NRFANRHFSA-N 1 0 436.560 2.734 50 0 IFAARO COc1ccccc1C[N@H+]1CCc2nnc([C@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000011813980 556357607 /nfs/dbraw/zinc/35/76/07/556357607.db2.gz VAQKYTNWHQZNPX-JOCHJYFZSA-N 1 0 434.544 2.867 50 0 IFAARO O=c1[nH]nc(CNCc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c2ccccc12 ZINC000011839210 556364135 /nfs/dbraw/zinc/36/41/35/556364135.db2.gz LHQDSLZEANSLSI-HXUWFJFHSA-N 1 0 436.556 2.829 50 0 IFAARO CCOCCC[NH2+]C1CCN(c2ccc(C(=O)N3CCN(C(=O)OCC)CC3)cc2)CC1 ZINC000011881925 556373269 /nfs/dbraw/zinc/37/32/69/556373269.db2.gz OYEDSKDJQDSZDR-UHFFFAOYSA-N 1 0 446.592 2.586 50 0 IFAARO O=C(CCn1cnc2ccccc21)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000011935375 556378212 /nfs/dbraw/zinc/37/82/12/556378212.db2.gz RUGSSBYSRMVALX-UHFFFAOYSA-N 1 0 437.588 2.752 50 0 IFAARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)N(Cc3cccc(F)c3)C2)n1 ZINC000011983325 556383873 /nfs/dbraw/zinc/38/38/73/556383873.db2.gz MBERJIVROCQVSQ-UXHICEINSA-N 1 0 431.581 2.646 50 0 IFAARO O=C(Cn1nc(Cl)ccc1=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012021783 556387094 /nfs/dbraw/zinc/38/70/94/556387094.db2.gz LYJJJLJRZYNJBP-LJQANCHMSA-N 1 0 436.984 2.559 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000014235338 556399059 /nfs/dbraw/zinc/39/90/59/556399059.db2.gz NBQLVSLQOGTUOW-IAGOWNOFSA-N 1 0 437.587 2.695 50 0 IFAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000014534041 556422230 /nfs/dbraw/zinc/42/22/30/556422230.db2.gz AFHTXLBCXNJWPU-UHFFFAOYSA-N 1 0 444.482 2.805 50 0 IFAARO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCCC1 ZINC000012977692 556422750 /nfs/dbraw/zinc/42/27/50/556422750.db2.gz ZYSVODBWPQSXCO-UHFFFAOYSA-N 1 0 443.560 2.746 50 0 IFAARO CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012990065 556428409 /nfs/dbraw/zinc/42/84/09/556428409.db2.gz PVNQOZMOEZTTLY-UHFFFAOYSA-N 1 0 444.601 2.721 50 0 IFAARO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014731489 556436777 /nfs/dbraw/zinc/43/67/77/556436777.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 1 0 437.519 2.820 50 0 IFAARO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](C2CCCC2)C1 ZINC000014744267 556439938 /nfs/dbraw/zinc/43/99/38/556439938.db2.gz YEZIKEHPHUKPLC-JOCHJYFZSA-N 1 0 431.577 2.536 50 0 IFAARO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 ZINC000014744388 556440451 /nfs/dbraw/zinc/44/04/51/556440451.db2.gz JCUWRQANKZIEEA-VABKMULXSA-N 1 0 435.568 2.758 50 0 IFAARO O=C1C[N@@H+](C2Cc3ccccc3C2)C[C@H](OCc2ccccn2)CN1CC1CCOCC1 ZINC000014745750 556441141 /nfs/dbraw/zinc/44/11/41/556441141.db2.gz PORQEKLWYSNXIV-VWLOTQADSA-N 1 0 435.568 2.705 50 0 IFAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014752661 556444056 /nfs/dbraw/zinc/44/40/56/556444056.db2.gz DIIZYHICJUGFAU-UHFFFAOYSA-N 1 0 435.524 2.929 50 0 IFAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1C ZINC000014883588 556454774 /nfs/dbraw/zinc/45/47/74/556454774.db2.gz ADYCOUFTJMAKOC-PZJWPPBQSA-N 1 0 432.561 2.821 50 0 IFAARO O=C(NCCCO)c1cn([C@@H]2CCC[N@H+](CC(c3ccccc3)c3ccccc3)C2)nn1 ZINC000014887029 556455438 /nfs/dbraw/zinc/45/54/38/556455438.db2.gz GBNYCTDLONEONA-JOCHJYFZSA-N 1 0 433.556 2.859 50 0 IFAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc4nsnc4c3)CC2)O1)C1CCOCC1 ZINC000014888904 556456260 /nfs/dbraw/zinc/45/62/60/556456260.db2.gz GFJATGMDYYYFLA-SFHVURJKSA-N 1 0 430.574 2.748 50 0 IFAARO Cc1cc(NC(=O)[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)no1 ZINC000028622520 556457297 /nfs/dbraw/zinc/45/72/97/556457297.db2.gz UKWUMNASWUHINJ-SFHVURJKSA-N 1 0 425.489 2.507 50 0 IFAARO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013096775 556457573 /nfs/dbraw/zinc/45/75/73/556457573.db2.gz ANFFDMPBAPNZEO-LJQANCHMSA-N 1 0 431.558 2.512 50 0 IFAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccn2-c2nccs2)CC1)[C@H]1CCOC1 ZINC000014964983 556465421 /nfs/dbraw/zinc/46/54/21/556465421.db2.gz GQPUGGDKAYTBLB-INIZCTEOSA-N 1 0 426.546 2.942 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000014978564 556469946 /nfs/dbraw/zinc/46/99/46/556469946.db2.gz XYQWYHMLEJTIBQ-UHFFFAOYSA-N 1 0 442.512 2.844 50 0 IFAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC ZINC000014996096 556478026 /nfs/dbraw/zinc/47/80/26/556478026.db2.gz RVCHGWOGMJZDBU-UHFFFAOYSA-N 1 0 428.562 2.951 50 0 IFAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc4cccnc4c2)CC3)o1 ZINC000014999991 556479415 /nfs/dbraw/zinc/47/94/15/556479415.db2.gz CHESJNXBFMHMAB-UHFFFAOYSA-N 1 0 446.511 2.554 50 0 IFAARO COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)c1 ZINC000015007731 556482299 /nfs/dbraw/zinc/48/22/99/556482299.db2.gz UOJSKHSLEPVZDC-PMACEKPBSA-N 1 0 446.519 2.624 50 0 IFAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000013149396 556491004 /nfs/dbraw/zinc/49/10/04/556491004.db2.gz UCWAFPKSDIPGHA-OYRHEFFESA-N 1 0 433.476 2.969 50 0 IFAARO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000015070256 556495314 /nfs/dbraw/zinc/49/53/14/556495314.db2.gz SSFOGFHGCHOPNK-QHCPKHFHSA-N 1 0 447.620 2.754 50 0 IFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCCN(C=O)CC2)c1 ZINC000015073258 556497277 /nfs/dbraw/zinc/49/72/77/556497277.db2.gz RLWQTLFTCFPCJL-UHFFFAOYSA-N 1 0 429.561 2.785 50 0 IFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033318394 556560817 /nfs/dbraw/zinc/56/08/17/556560817.db2.gz MRSDCCWSNYPFKY-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO CCCCCC[N@H+](CCN1CCOCC1)CC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000072308248 556565557 /nfs/dbraw/zinc/56/55/57/556565557.db2.gz IUNLNEFQBVBOOX-UHFFFAOYSA-N 1 0 435.609 2.577 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009899 556573658 /nfs/dbraw/zinc/57/36/58/556573658.db2.gz RPEYWJZYNISSLF-ORGXJRBJSA-N 1 0 425.485 2.504 50 0 IFAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016021199 556574933 /nfs/dbraw/zinc/57/49/33/556574933.db2.gz CAJIAIMMSHCSFM-PABYOWBDSA-N 1 0 425.435 2.541 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022015 556575467 /nfs/dbraw/zinc/57/54/67/556575467.db2.gz KBYNEFDHULKTTC-WPMYHTOXSA-N 1 0 434.334 2.624 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016024791 556576244 /nfs/dbraw/zinc/57/62/44/556576244.db2.gz VRZPEEWGOMJIFO-AZXNSQLWSA-N 1 0 437.927 2.959 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016024787 556576257 /nfs/dbraw/zinc/57/62/57/556576257.db2.gz VRZPEEWGOMJIFO-XHOYROJHSA-N 1 0 437.927 2.959 50 0 IFAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(N4c5ccccc5C[C@@H]4C)n3)c(C)n2)CC1 ZINC000036235755 556595066 /nfs/dbraw/zinc/59/50/66/556595066.db2.gz ARQFRNKRDZQOQA-INIZCTEOSA-N 1 0 431.544 2.760 50 0 IFAARO C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)CC1 ZINC000032983629 556603682 /nfs/dbraw/zinc/60/36/82/556603682.db2.gz ABWKXSKLIYKFSI-STZFKDTASA-N 1 0 440.931 2.689 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCCCCC3)s2)cc1 ZINC000032987479 556607706 /nfs/dbraw/zinc/60/77/06/556607706.db2.gz PORMZWIWFDFPJX-UHFFFAOYSA-N 1 0 445.589 2.998 50 0 IFAARO O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCCCCC1 ZINC000032987679 556607963 /nfs/dbraw/zinc/60/79/63/556607963.db2.gz BDRLDWULMQZNFZ-UHFFFAOYSA-N 1 0 431.562 2.689 50 0 IFAARO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OC ZINC000016688300 556626436 /nfs/dbraw/zinc/62/64/36/556626436.db2.gz ACNNVVKMBZWGMP-UHFFFAOYSA-N 1 0 443.363 2.836 50 0 IFAARO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720073 556645634 /nfs/dbraw/zinc/64/56/34/556645634.db2.gz OTMCIXKINPBDBB-UHFFFAOYSA-N 1 0 427.545 2.833 50 0 IFAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C[C@@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722017 556647876 /nfs/dbraw/zinc/64/78/76/556647876.db2.gz MBHLQFCSGCUVLA-JWQCQUIFSA-N 1 0 447.535 2.813 50 0 IFAARO Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]CCOCCO)cc1 ZINC000040740012 556651446 /nfs/dbraw/zinc/65/14/46/556651446.db2.gz NMWORTNGUOVDML-UHFFFAOYSA-N 1 0 437.334 2.874 50 0 IFAARO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000032931758 556676614 /nfs/dbraw/zinc/67/66/14/556676614.db2.gz QSWNRXUFUBCOEN-RTWAWAEBSA-N 1 0 433.508 2.848 50 0 IFAARO CNC(=O)c1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000032935837 556678478 /nfs/dbraw/zinc/67/84/78/556678478.db2.gz BRFNJEXNTPNPBP-OAQYLSRUSA-N 1 0 429.586 2.798 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998598 556679639 /nfs/dbraw/zinc/67/96/39/556679639.db2.gz PAAQZXWTYPIEKQ-IBGZPJMESA-N 1 0 445.541 2.693 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000044910463 556680706 /nfs/dbraw/zinc/68/07/06/556680706.db2.gz NPAJMXBAYRLOLH-UHFFFAOYSA-N 1 0 441.597 2.740 50 0 IFAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc(OC)c1OC ZINC000045966581 556688770 /nfs/dbraw/zinc/68/87/70/556688770.db2.gz RBJVTNUHTGSYAK-UHFFFAOYSA-N 1 0 447.576 2.699 50 0 IFAARO COC(=O)CC1(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000072313984 556694599 /nfs/dbraw/zinc/69/45/99/556694599.db2.gz JBHKFQZLXRWDEZ-UHFFFAOYSA-N 1 0 428.860 2.665 50 0 IFAARO Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000033028021 556708363 /nfs/dbraw/zinc/70/83/63/556708363.db2.gz RYGKBHYGSHYOIV-UHFFFAOYSA-N 1 0 439.541 2.969 50 0 IFAARO CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033032961 556713158 /nfs/dbraw/zinc/71/31/58/556713158.db2.gz IQWDOMQQMOXPIH-UHFFFAOYSA-N 1 0 434.537 2.518 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033456 556714400 /nfs/dbraw/zinc/71/44/00/556714400.db2.gz VELGFPXKRNFNNE-UHFFFAOYSA-N 1 0 442.585 2.695 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033790 556714448 /nfs/dbraw/zinc/71/44/48/556714448.db2.gz HVPLGVTWGZACOE-UHFFFAOYSA-N 1 0 430.574 2.598 50 0 IFAARO CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1 ZINC000033033514 556714466 /nfs/dbraw/zinc/71/44/66/556714466.db2.gz BTUREVBTISKREH-UHFFFAOYSA-N 1 0 430.574 2.687 50 0 IFAARO Cc1c(-c2ccnc(N3CC[NH+](C)CC3)n2)cnc2nc(SCc3ccccc3)nn21 ZINC000054202001 556729463 /nfs/dbraw/zinc/72/94/63/556729463.db2.gz ZWCLYBHBRHDQTG-UHFFFAOYSA-N 1 0 432.557 2.934 50 0 IFAARO O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055036156 556732315 /nfs/dbraw/zinc/73/23/15/556732315.db2.gz YZUBXRWRTVDOCJ-NRFANRHFSA-N 1 0 425.504 2.910 50 0 IFAARO O=C(CCCN1CCCCC1=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055244241 556738631 /nfs/dbraw/zinc/73/86/31/556738631.db2.gz ORKSFHVHOBXMHN-JOCHJYFZSA-N 1 0 430.568 2.731 50 0 IFAARO CC(C)C[C@@H](CNC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1)N1CCOCC1 ZINC000058265332 556776352 /nfs/dbraw/zinc/77/63/52/556776352.db2.gz BEFQYKLDDXKGGU-FQEVSTJZSA-N 1 0 435.588 2.836 50 0 IFAARO CNS(=O)(=O)c1cccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000059332585 556797999 /nfs/dbraw/zinc/79/79/99/556797999.db2.gz WKDQTQJGMAYBJM-OAQYLSRUSA-N 1 0 429.586 2.798 50 0 IFAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000002138542 556799000 /nfs/dbraw/zinc/79/90/00/556799000.db2.gz KLOXZHXCWFWBAU-LMMUWCHVSA-N 1 0 443.503 2.937 50 0 IFAARO CC(C)([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1cccc(C(F)(F)F)c1 ZINC000060377528 556807502 /nfs/dbraw/zinc/80/75/02/556807502.db2.gz GDBNFHFFBUDNFF-UHFFFAOYSA-N 1 0 441.475 2.767 50 0 IFAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364178 556835496 /nfs/dbraw/zinc/83/54/96/556835496.db2.gz RUOPJEPAUYKHEE-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO Cc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067612208 556844119 /nfs/dbraw/zinc/84/41/19/556844119.db2.gz MOFYCBNBJVKRKC-UHFFFAOYSA-N 1 0 433.512 2.844 50 0 IFAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071614937 556887252 /nfs/dbraw/zinc/88/72/52/556887252.db2.gz JIQVPHZHTUUHPS-HXUWFJFHSA-N 1 0 432.572 2.998 50 0 IFAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCN1CCC[C@H](O)C1)N1CCCCCCC1 ZINC000019744423 556890835 /nfs/dbraw/zinc/89/08/35/556890835.db2.gz ZQAMWYQFSVQPLQ-IBGZPJMESA-N 1 0 448.011 2.940 50 0 IFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)cc1 ZINC000033260451 556897061 /nfs/dbraw/zinc/89/70/61/556897061.db2.gz FSIXKNKVBWJUTI-UHFFFAOYSA-N 1 0 447.587 2.678 50 0 IFAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)CC1 ZINC000019841595 556929728 /nfs/dbraw/zinc/92/97/28/556929728.db2.gz MOLRVHFTZQILKH-QFIPXVFZSA-N 1 0 425.573 2.853 50 0 IFAARO Cc1c[nH]c(CCNC(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)n1 ZINC000020135020 556988076 /nfs/dbraw/zinc/98/80/76/556988076.db2.gz INRKHYBCMZVYES-UHFFFAOYSA-N 1 0 436.560 2.899 50 0 IFAARO CN(CCN1CCOCC1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000020204424 556997821 /nfs/dbraw/zinc/99/78/21/556997821.db2.gz NHBDYQCNRBLQPX-UHFFFAOYSA-N 1 0 438.572 2.529 50 0 IFAARO COc1ccc(C(=O)N2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)o1 ZINC000020202753 556997880 /nfs/dbraw/zinc/99/78/80/556997880.db2.gz WGZHHZLMSFOIII-UHFFFAOYSA-N 1 0 449.935 2.917 50 0 IFAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 ZINC000020204556 556997891 /nfs/dbraw/zinc/99/78/91/556997891.db2.gz UAWZSYPENMQHLR-VWLOTQADSA-N 1 0 436.600 2.868 50 0 IFAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)cc1OC ZINC000017245976 557044327 /nfs/dbraw/zinc/04/43/27/557044327.db2.gz PKGYQCRIAJMZIF-UHFFFAOYSA-N 1 0 429.517 2.745 50 0 IFAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000022936733 557052954 /nfs/dbraw/zinc/05/29/54/557052954.db2.gz NOXHOOQXZOITKA-HYBUGGRVSA-N 1 0 438.572 2.563 50 0 IFAARO COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1F ZINC000022942558 557053915 /nfs/dbraw/zinc/05/39/15/557053915.db2.gz UBBDLEOTJNTBKU-UHFFFAOYSA-N 1 0 427.314 2.847 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(CC)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275430 557054444 /nfs/dbraw/zinc/05/44/44/557054444.db2.gz PKKAQQWGVFKXGY-UHFFFAOYSA-N 1 0 430.574 2.599 50 0 IFAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275425 557054530 /nfs/dbraw/zinc/05/45/30/557054530.db2.gz BRUPJMCAVCBSHK-UHFFFAOYSA-N 1 0 430.574 2.770 50 0 IFAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048276799 557056608 /nfs/dbraw/zinc/05/66/08/557056608.db2.gz JNAVAZCIEKWDMZ-HXUWFJFHSA-N 1 0 428.537 2.700 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2)[C@@H]1CCOC1 ZINC000023129082 557066388 /nfs/dbraw/zinc/06/63/88/557066388.db2.gz NHHBVLYHMUBVMY-JOCHJYFZSA-N 1 0 431.540 2.656 50 0 IFAARO Cc1ccccc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2ccccc2C)CC1 ZINC000023477231 557093961 /nfs/dbraw/zinc/09/39/61/557093961.db2.gz CZWBUOVPIDJCNG-UHFFFAOYSA-N 1 0 436.600 2.861 50 0 IFAARO Cc1ccc(C[N@@H+]2CCc3ncn(CC(=O)NCc4ccc(F)cc4F)c(=O)c3C2)cc1 ZINC000049400917 557096599 /nfs/dbraw/zinc/09/65/99/557096599.db2.gz ABNIDCXKNWWRAL-UHFFFAOYSA-N 1 0 438.478 2.705 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1 ZINC000033312823 557097235 /nfs/dbraw/zinc/09/72/35/557097235.db2.gz KUKJTSMSPFATRG-HYBUGGRVSA-N 1 0 426.605 2.589 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](Cc3ccccc3)C(C)C)CC2)cc1 ZINC000010929598 557115929 /nfs/dbraw/zinc/11/59/29/557115929.db2.gz URZRLXBZTSHXMR-UHFFFAOYSA-N 1 0 429.586 2.739 50 0 IFAARO CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[NH+]1CCCCC1 ZINC000017792955 557122972 /nfs/dbraw/zinc/12/29/72/557122972.db2.gz YFJAZUQYGBMPLR-UHFFFAOYSA-N 1 0 447.645 2.957 50 0 IFAARO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)CC1 ZINC000004791647 557124378 /nfs/dbraw/zinc/12/43/78/557124378.db2.gz MXHSRDALTIENSG-UHFFFAOYSA-N 1 0 448.567 2.784 50 0 IFAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791607 557124403 /nfs/dbraw/zinc/12/44/03/557124403.db2.gz VFWKJAXDSXJVSS-UHFFFAOYSA-N 1 0 448.567 2.928 50 0 IFAARO CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000024752772 557133493 /nfs/dbraw/zinc/13/34/93/557133493.db2.gz RMQHSVREEPYWBG-JOCHJYFZSA-N 1 0 438.547 2.541 50 0 IFAARO CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1 ZINC000010931222 557136426 /nfs/dbraw/zinc/13/64/26/557136426.db2.gz CDUHLBCVQWRZFE-UHFFFAOYSA-N 1 0 433.549 2.569 50 0 IFAARO COc1cccc(-c2cc(C(=O)N(CC(=O)NCC[NH+](C)C)Cc3ccccc3)no2)c1 ZINC000096210438 557182955 /nfs/dbraw/zinc/18/29/55/557182955.db2.gz MUAORSIRZQNGTG-UHFFFAOYSA-N 1 0 436.512 2.670 50 0 IFAARO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000025049275 557190911 /nfs/dbraw/zinc/19/09/11/557190911.db2.gz DLRGJTRRVHWOJR-UHFFFAOYSA-N 1 0 434.993 2.525 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](c3cccs3)[NH+](C)C)C2)s1 ZINC000027679750 557271259 /nfs/dbraw/zinc/27/12/59/557271259.db2.gz IREXXJYXJUZGEI-JKSUJKDBSA-N 1 0 441.644 2.938 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+](C)C)C2)s1 ZINC000027679738 557271305 /nfs/dbraw/zinc/27/13/05/557271305.db2.gz IREXXJYXJUZGEI-HZPDHXFCSA-N 1 0 441.644 2.938 50 0 IFAARO O=C1C[C@H]([NH2+]CCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000101163674 557284194 /nfs/dbraw/zinc/28/41/94/557284194.db2.gz AMGBDWDUFPVZLA-NRFANRHFSA-N 1 0 444.938 2.913 50 0 IFAARO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCC[N@H+](CC)Cc2ccccc2)CC1 ZINC000101535700 557291112 /nfs/dbraw/zinc/29/11/12/557291112.db2.gz XBYAFKSUYHCNIP-UHFFFAOYSA-N 1 0 442.560 2.640 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2C)CC1 ZINC000102120172 557312442 /nfs/dbraw/zinc/31/24/42/557312442.db2.gz DVEFCAILRAQDFB-WOJBJXKFSA-N 1 0 426.561 2.641 50 0 IFAARO O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCC[NH+]1CCCCC1 ZINC000032987160 557321598 /nfs/dbraw/zinc/32/15/98/557321598.db2.gz QAUFXJVZLKKYLQ-UHFFFAOYSA-N 1 0 437.566 2.765 50 0 IFAARO O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199081 557395402 /nfs/dbraw/zinc/39/54/02/557395402.db2.gz RRMKGXDODDKGHU-JRINMYIISA-N 1 0 434.540 2.925 50 0 IFAARO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc(I)c1 ZINC000107541834 557536009 /nfs/dbraw/zinc/53/60/09/557536009.db2.gz BWAAWVZMZQJGFK-GJZGRUSLSA-N 1 0 442.322 2.718 50 0 IFAARO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccoc3)c(OCC)c2)CC1 ZINC000225555814 557741902 /nfs/dbraw/zinc/74/19/02/557741902.db2.gz XWHDPRXJLPPXQN-QGZVFWFLSA-N 1 0 428.533 2.967 50 0 IFAARO CN(C)CC(=O)Nc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632400 557754627 /nfs/dbraw/zinc/75/46/27/557754627.db2.gz CDEBJPITIWHFOU-IFMALSPDSA-N 1 0 446.592 2.691 50 0 IFAARO CS(=O)(=O)N1C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2(C1)CCCCC2 ZINC000096309572 557776565 /nfs/dbraw/zinc/77/65/65/557776565.db2.gz BXDPKRGBVBJEKD-OAQYLSRUSA-N 1 0 433.618 2.609 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C ZINC000014987631 557835360 /nfs/dbraw/zinc/83/53/60/557835360.db2.gz JZIIIPWFEYRFHG-LJQANCHMSA-N 1 0 449.555 2.910 50 0 IFAARO CC(C)[NH+](CCNS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)C ZINC000240333504 557845238 /nfs/dbraw/zinc/84/52/38/557845238.db2.gz FDRGRBVDYWWUNQ-FQEVSTJZSA-N 1 0 425.595 2.683 50 0 IFAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC[NH+](C)C)ccc2N2CCCC2)cc1 ZINC000002912076 562930527 /nfs/dbraw/zinc/93/05/27/562930527.db2.gz VANKOXBCWCSXJP-UHFFFAOYSA-N 1 0 430.574 2.687 50 0 IFAARO CCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000004103841 562941962 /nfs/dbraw/zinc/94/19/62/562941962.db2.gz JDKSGVBAWKGFLV-UHFFFAOYSA-N 1 0 435.634 2.509 50 0 IFAARO COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCC[NH+]3CCCC3)c(C)o2)cc1OC ZINC000004079694 562941619 /nfs/dbraw/zinc/94/16/19/562941619.db2.gz HTZDZRCLILGQEB-HKBQPEDESA-N 1 0 449.573 2.518 50 0 IFAARO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)n2)cc1 ZINC000006834364 562948471 /nfs/dbraw/zinc/94/84/71/562948471.db2.gz FJGADNBGYSDFKO-UHFFFAOYSA-N 1 0 427.549 2.954 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000008861428 562965528 /nfs/dbraw/zinc/96/55/28/562965528.db2.gz OHOFPXJDHZHBPY-UHFFFAOYSA-N 1 0 442.585 2.865 50 0 IFAARO COc1ccccc1[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000009119839 562967369 /nfs/dbraw/zinc/96/73/69/562967369.db2.gz FXHHGGZMDGCIJV-OAQYLSRUSA-N 1 0 445.585 2.577 50 0 IFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000013010607 562984019 /nfs/dbraw/zinc/98/40/19/562984019.db2.gz NGJZLSZSMMOAKM-OAQYLSRUSA-N 1 0 425.529 2.777 50 0 IFAARO COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000013011281 562984116 /nfs/dbraw/zinc/98/41/16/562984116.db2.gz PUBJSJGAOAMANJ-FQEVSTJZSA-N 1 0 425.529 2.777 50 0 IFAARO COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CC[NH+](C4CCCC4)CC3)o2)c1 ZINC000023338492 563027141 /nfs/dbraw/zinc/02/71/41/563027141.db2.gz ZMSXNWFDMPJMFT-UHFFFAOYSA-N 1 0 428.533 2.697 50 0 IFAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000015140427 568690418 /nfs/dbraw/zinc/69/04/18/568690418.db2.gz HJISZMWZXGUKOL-UHFFFAOYSA-N 1 0 427.526 2.750 50 0 IFAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299761086 568755669 /nfs/dbraw/zinc/75/56/69/568755669.db2.gz RALZBRCSGHYPSD-ATIYNZHBSA-N 1 0 448.567 2.611 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000263585425 568759097 /nfs/dbraw/zinc/75/90/97/568759097.db2.gz IJUXQFRPWFPVRR-ZPFZUWPUSA-N 1 0 427.589 2.946 50 0 IFAARO COc1ccc([C@H]2Cn3nnc(C(=O)N4CC[NH+](C5CCCCC5)CC4)c3CO2)cc1 ZINC000263616783 568776846 /nfs/dbraw/zinc/77/68/46/568776846.db2.gz KMZCSNBQFMSDEQ-OAQYLSRUSA-N 1 0 425.533 2.649 50 0 IFAARO O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000084535864 568798611 /nfs/dbraw/zinc/79/86/11/568798611.db2.gz ALVCIIDTNGGTRL-IEBWSBKVSA-N 1 0 426.542 2.730 50 0 IFAARO O=C(CC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000084558671 568798807 /nfs/dbraw/zinc/79/88/07/568798807.db2.gz FPNBVTSWLJLKBR-UHFFFAOYSA-N 1 0 427.570 2.947 50 0 IFAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000015727788 568812863 /nfs/dbraw/zinc/81/28/63/568812863.db2.gz BXMJJEIGANIHTP-UHFFFAOYSA-N 1 0 439.516 2.697 50 0 IFAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)ccc21 ZINC000015784485 568829344 /nfs/dbraw/zinc/82/93/44/568829344.db2.gz FSYFWTYOIPAHKN-FQEVSTJZSA-N 1 0 446.617 2.571 50 0 IFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652737 568837748 /nfs/dbraw/zinc/83/77/48/568837748.db2.gz JMSFYYLVOKFYCM-XABBQPORSA-N 1 0 432.613 2.609 50 0 IFAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1C ZINC000015864198 568849777 /nfs/dbraw/zinc/84/97/77/568849777.db2.gz CGJGDNIABMSRRG-UHFFFAOYSA-N 1 0 435.977 2.580 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000015957075 568859973 /nfs/dbraw/zinc/85/99/73/568859973.db2.gz YRMOPAGMKRTMFB-JJEXOMBSSA-N 1 0 447.535 2.889 50 0 IFAARO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000012971747 568888144 /nfs/dbraw/zinc/88/81/44/568888144.db2.gz ICTJJTBDVAVRKD-GOSISDBHSA-N 1 0 427.929 2.762 50 0 IFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000583652712 568889574 /nfs/dbraw/zinc/88/95/74/568889574.db2.gz RBJPGCBXVMWHJB-DENIHFKCSA-N 1 0 426.561 2.526 50 0 IFAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000248375263 568919265 /nfs/dbraw/zinc/91/92/65/568919265.db2.gz APUXMZSGHJUBPT-SMOZNVCYSA-N 1 0 449.894 2.974 50 0 IFAARO CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)C2=O)CC1 ZINC000064567214 568933407 /nfs/dbraw/zinc/93/34/07/568933407.db2.gz AEERFANHNQXOAF-LJQANCHMSA-N 1 0 438.572 2.780 50 0 IFAARO CN(CC(=O)NCC[NH+](C)C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703837 568944527 /nfs/dbraw/zinc/94/45/27/568944527.db2.gz GPLXSXPKHKQUSH-UHFFFAOYSA-N 1 0 447.584 2.921 50 0 IFAARO CN(CC(=O)NCC[NH+](C)C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704189 568944536 /nfs/dbraw/zinc/94/45/36/568944536.db2.gz FCSMSSSDPHJZER-UHFFFAOYSA-N 1 0 447.584 2.921 50 0 IFAARO Cc1onc2c1c(C)nn(CC(=O)NCC1CC[NH+](Cc3ccc(Cl)cc3)CC1)c2=O ZINC000064842291 568970737 /nfs/dbraw/zinc/97/07/37/568970737.db2.gz TZQFSYSTMVAMPF-UHFFFAOYSA-N 1 0 443.935 2.683 50 0 IFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036345604 569080708 /nfs/dbraw/zinc/08/07/08/569080708.db2.gz HUDRZXSLCISMFN-OAQYLSRUSA-N 1 0 438.503 2.870 50 0 IFAARO CC1CCN(C(=O)c2cc(NC(=O)c3ccccc3F)cnc2N2CC[NH2+]CC2)CC1 ZINC000065025350 569090638 /nfs/dbraw/zinc/09/06/38/569090638.db2.gz GCQQNFYZKNGJAV-UHFFFAOYSA-N 1 0 425.508 2.755 50 0 IFAARO Cn1cc(C[NH+]2CCC(C(=O)NCCCN3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060067 569095765 /nfs/dbraw/zinc/09/57/65/569095765.db2.gz RPZNUNZXKLWLHC-UHFFFAOYSA-N 1 0 432.996 2.882 50 0 IFAARO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036390162 569096530 /nfs/dbraw/zinc/09/65/30/569096530.db2.gz QSWNRXUFUBCOEN-LEWJYISDSA-N 1 0 433.508 2.848 50 0 IFAARO CC[NH+](CC)CCNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062162 569097036 /nfs/dbraw/zinc/09/70/36/569097036.db2.gz XJGZJDFGWQIRSD-AWEZNQCLSA-N 1 0 436.043 2.896 50 0 IFAARO C[C@@H](C(=O)NCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062295 569097505 /nfs/dbraw/zinc/09/75/05/569097505.db2.gz CBLCOIJASUIFLJ-CQSZACIVSA-N 1 0 434.027 2.650 50 0 IFAARO Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(F)cc2)c1 ZINC000065074891 569099332 /nfs/dbraw/zinc/09/93/32/569099332.db2.gz KMVCUEFTNXCUGD-UHFFFAOYSA-N 1 0 444.576 2.757 50 0 IFAARO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCC[C@@H](C)[NH+]4CCCCCC4)n3)c2c1 ZINC000065111791 569107771 /nfs/dbraw/zinc/10/77/71/569107771.db2.gz YKVDQJDQWZOQPE-MRXNPFEDSA-N 1 0 427.505 2.719 50 0 IFAARO Cc1cccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCC[NH+]2CCCCC2)c1 ZINC000065210190 569116287 /nfs/dbraw/zinc/11/62/87/569116287.db2.gz JEQCZPMWJVWDII-UHFFFAOYSA-N 1 0 427.570 2.962 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000065255831 569123057 /nfs/dbraw/zinc/12/30/57/569123057.db2.gz QRRTWMZFJCURCS-OAQYLSRUSA-N 1 0 437.544 2.583 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)CC1 ZINC000065256162 569123213 /nfs/dbraw/zinc/12/32/13/569123213.db2.gz XQVQERBCFIERCF-NRFANRHFSA-N 1 0 437.544 2.583 50 0 IFAARO COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(OCC[NH+](C)C)cc1)C=C2 ZINC000524730176 569125922 /nfs/dbraw/zinc/12/59/22/569125922.db2.gz YMLSFIJCERLDTO-UHFFFAOYSA-N 1 0 439.512 2.638 50 0 IFAARO C[C@H](C[NH+]1CCCCC1)C(=O)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293322 569130999 /nfs/dbraw/zinc/13/09/99/569130999.db2.gz AUTQAAQDYHQJMV-NFBKMPQASA-N 1 0 444.595 2.583 50 0 IFAARO C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293321 569131007 /nfs/dbraw/zinc/13/10/07/569131007.db2.gz AUTQAAQDYHQJMV-NZQKXSOJSA-N 1 0 444.595 2.583 50 0 IFAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000065329577 569136969 /nfs/dbraw/zinc/13/69/69/569136969.db2.gz MASIWFQTCABKPF-UHFFFAOYSA-N 1 0 426.492 2.659 50 0 IFAARO C[NH+](C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](O)c1ccccc1 ZINC000065491281 569138743 /nfs/dbraw/zinc/13/87/43/569138743.db2.gz SRMYXPRXYVKNIU-XOBRGWDASA-N 1 0 432.908 2.704 50 0 IFAARO CC[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@@H+]1Cc1ccccc1 ZINC000170595195 569141406 /nfs/dbraw/zinc/14/14/06/569141406.db2.gz AJNYFPKKAZQJMR-INIZCTEOSA-N 1 0 434.334 2.895 50 0 IFAARO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000170598370 569142251 /nfs/dbraw/zinc/14/22/51/569142251.db2.gz YTYHGMANRURMIF-CALCHBBNSA-N 1 0 437.606 2.528 50 0 IFAARO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](CC)CCc1ccccc1 ZINC000170616828 569146768 /nfs/dbraw/zinc/14/67/68/569146768.db2.gz KPRXXEROUDWPGU-UHFFFAOYSA-N 1 0 432.590 2.683 50 0 IFAARO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000010025210 569151506 /nfs/dbraw/zinc/15/15/06/569151506.db2.gz PNDFZYAZNJWHEM-JOCHJYFZSA-N 1 0 425.554 2.879 50 0 IFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000250641347 569157243 /nfs/dbraw/zinc/15/72/43/569157243.db2.gz FGBQNOJFUILOMV-FPOVZHCZSA-N 1 0 445.560 2.617 50 0 IFAARO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000089949428 569168696 /nfs/dbraw/zinc/16/86/96/569168696.db2.gz GCGFHEPKAAPXBJ-CEXWTWQISA-N 1 0 439.597 2.946 50 0 IFAARO CCNC(=O)c1cc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)nc2ccccc21 ZINC000089977495 569169431 /nfs/dbraw/zinc/16/94/31/569169431.db2.gz YRVSKRCMBUQTMN-UHFFFAOYSA-N 1 0 431.540 2.984 50 0 IFAARO C[C@@H](C[NH+]1CCCCC1)C(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000252469965 569184872 /nfs/dbraw/zinc/18/48/72/569184872.db2.gz AUTQAAQDYHQJMV-REWPJTCUSA-N 1 0 444.595 2.583 50 0 IFAARO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)C[C@H]1C ZINC000252503483 569188126 /nfs/dbraw/zinc/18/81/26/569188126.db2.gz VDKDZQUEIAPUKF-IRLDBZIGSA-N 1 0 443.592 2.810 50 0 IFAARO NS(=O)(=O)c1ccc(OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000027344174 569190768 /nfs/dbraw/zinc/19/07/68/569190768.db2.gz BFZYXOYBNUWXQK-UHFFFAOYSA-N 1 0 429.464 2.554 50 0 IFAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000252550654 569191077 /nfs/dbraw/zinc/19/10/77/569191077.db2.gz SWQLGKBVXBXXBE-CTNGQTDRSA-N 1 0 446.592 2.682 50 0 IFAARO COc1ccccc1Oc1cnn(C)c(=O)c1Nc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000037477743 569197429 /nfs/dbraw/zinc/19/74/29/569197429.db2.gz UZBZRAXVWMYFPH-UHFFFAOYSA-N 1 0 437.500 2.616 50 0 IFAARO CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000037525367 569199000 /nfs/dbraw/zinc/19/90/00/569199000.db2.gz OPZXIUSFBPUPLQ-UHFFFAOYSA-N 1 0 429.609 2.969 50 0 IFAARO Cn1c2ccccc2c2cnn(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)c21 ZINC000008932969 569292602 /nfs/dbraw/zinc/29/26/02/569292602.db2.gz HRUHCJQPJVKJHH-UHFFFAOYSA-N 1 0 429.524 2.669 50 0 IFAARO O=C(CSc1nnnn1-c1cccc(Cl)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012980157 569305820 /nfs/dbraw/zinc/30/58/20/569305820.db2.gz BGKMWDXXVUXLJG-QGZVFWFLSA-N 1 0 428.949 2.799 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000078964438 569320592 /nfs/dbraw/zinc/32/05/92/569320592.db2.gz ZNDUTHIETMUSTK-OAQYLSRUSA-N 1 0 441.620 2.679 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000079054124 569323491 /nfs/dbraw/zinc/32/34/91/569323491.db2.gz WGXOMGVFFROYDG-JXFKEZNVSA-N 1 0 433.549 2.716 50 0 IFAARO Cc1nc2cc(NC(=O)CCc3c(C)nc4ncnn4c3C)ccc2n1CCC[NH+](C)C ZINC000079464794 569330484 /nfs/dbraw/zinc/33/04/84/569330484.db2.gz QNDNTTOYEMTHJJ-UHFFFAOYSA-N 1 0 434.548 2.922 50 0 IFAARO COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000079489053 569331287 /nfs/dbraw/zinc/33/12/87/569331287.db2.gz IOKVREVXTILJBP-UHFFFAOYSA-N 1 0 440.588 2.798 50 0 IFAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)c1 ZINC000095349997 569361764 /nfs/dbraw/zinc/36/17/64/569361764.db2.gz RQKOQURPVXRYBT-UHFFFAOYSA-N 1 0 444.601 2.617 50 0 IFAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000020380073 569362521 /nfs/dbraw/zinc/36/25/21/569362521.db2.gz UTDDKMWCSTVMIN-UHFFFAOYSA-N 1 0 445.567 2.685 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417523 569365039 /nfs/dbraw/zinc/36/50/39/569365039.db2.gz KEVUAKOVBPWMON-IBGZPJMESA-N 1 0 439.535 2.603 50 0 IFAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000095426522 569365998 /nfs/dbraw/zinc/36/59/98/569365998.db2.gz BMIQLVCFYJIUDX-ROUUACIJSA-N 1 0 428.360 2.607 50 0 IFAARO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000095430480 569366188 /nfs/dbraw/zinc/36/61/88/569366188.db2.gz NCSHHLFIFHJFRV-GHTZIAJQSA-N 1 0 430.593 2.952 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000095482570 569374426 /nfs/dbraw/zinc/37/44/26/569374426.db2.gz HOBWEUGLVLNXNH-UHFFFAOYSA-N 1 0 430.574 2.623 50 0 IFAARO C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482552 569374501 /nfs/dbraw/zinc/37/45/01/569374501.db2.gz CMPNVSPWUSWUOX-QGZVFWFLSA-N 1 0 431.558 2.953 50 0 IFAARO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000095943596 569375695 /nfs/dbraw/zinc/37/56/95/569375695.db2.gz WAVPTRYWKSAIBB-FQEVSTJZSA-N 1 0 445.610 2.857 50 0 IFAARO CN(CC[NH+]1CCCC1)CC(C)(C)CN(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000095980376 569377918 /nfs/dbraw/zinc/37/79/18/569377918.db2.gz ZIUXRUCPYVWFRF-UHFFFAOYSA-N 1 0 441.620 2.758 50 0 IFAARO COC(=O)C1(NC(=O)c2csc(-c3ncccn3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000095995439 569378610 /nfs/dbraw/zinc/37/86/10/569378610.db2.gz LFTFGJQEPBBYAI-UHFFFAOYSA-N 1 0 437.525 2.538 50 0 IFAARO O=C(N[C@@H](CCO)c1ccccc1Br)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000096006457 569379341 /nfs/dbraw/zinc/37/93/41/569379341.db2.gz XOAGCLLUADNHDZ-IBGZPJMESA-N 1 0 435.366 2.985 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)NCc2nn(CC[NH+]3CCCC3)c(=O)c3ccccc23)c1 ZINC000096024235 569380589 /nfs/dbraw/zinc/38/05/89/569380589.db2.gz RRCGCSJFMYLYBN-UHFFFAOYSA-N 1 0 440.569 2.588 50 0 IFAARO Cc1ccc(-c2cc3c4nnc(CCC(=O)NCC[NH+]5CCCC5)n4ccn3n2)cc1C ZINC000096322349 569394598 /nfs/dbraw/zinc/39/45/98/569394598.db2.gz YGLPYRAJMOJVLF-UHFFFAOYSA-N 1 0 431.544 2.805 50 0 IFAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000230129917 569438907 /nfs/dbraw/zinc/43/89/07/569438907.db2.gz AXDSFLYXYQDUEG-UPVQGACJSA-N 1 0 439.531 2.556 50 0 IFAARO COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000230251632 569440561 /nfs/dbraw/zinc/44/05/61/569440561.db2.gz ZSWVYSLTRKUOJU-CTUHWIOQSA-N 1 0 441.597 2.568 50 0 IFAARO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000058108602 569447560 /nfs/dbraw/zinc/44/75/60/569447560.db2.gz YRZOLVNRTJRXNQ-JOCHJYFZSA-N 1 0 429.586 2.789 50 0 IFAARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000003543032 569453672 /nfs/dbraw/zinc/45/36/72/569453672.db2.gz YLRGYKRQDVEQGK-AWEZNQCLSA-N 1 0 425.514 2.874 50 0 IFAARO Cc1cccc(N2C[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)c1C ZINC000031241245 569455124 /nfs/dbraw/zinc/45/51/24/569455124.db2.gz DUZCGOBOKWDKTB-JOCHJYFZSA-N 1 0 434.584 2.985 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008381181 569462642 /nfs/dbraw/zinc/46/26/42/569462642.db2.gz UFISRXMREFIXBK-UHFFFAOYSA-N 1 0 427.570 2.866 50 0 IFAARO CN(CC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000039461628 569481565 /nfs/dbraw/zinc/48/15/65/569481565.db2.gz OEOJWRQLJCASMH-DEOSSOPVSA-N 1 0 434.584 2.598 50 0 IFAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C)c1 ZINC000039976202 569482221 /nfs/dbraw/zinc/48/22/21/569482221.db2.gz ORNWIMSTRAAGHR-SFHVURJKSA-N 1 0 435.615 2.987 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)OC)cc2)CC1 ZINC000039984910 569482289 /nfs/dbraw/zinc/48/22/89/569482289.db2.gz XKKYGPCENBABDQ-UHFFFAOYSA-N 1 0 426.517 2.635 50 0 IFAARO Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000040039638 569483341 /nfs/dbraw/zinc/48/33/41/569483341.db2.gz NPUIZENZSHPLCC-UHFFFAOYSA-N 1 0 435.528 2.947 50 0 IFAARO O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893193 569483597 /nfs/dbraw/zinc/48/35/97/569483597.db2.gz XCVSLGHYRQGYBN-GOSISDBHSA-N 1 0 429.542 2.827 50 0 IFAARO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040092536 569487470 /nfs/dbraw/zinc/48/74/70/569487470.db2.gz FAVCPRIUODZUHU-GOSISDBHSA-N 1 0 438.498 2.596 50 0 IFAARO Cc1c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040092015 569487491 /nfs/dbraw/zinc/48/74/91/569487491.db2.gz ZBUIFJOOAUCWLB-QGZVFWFLSA-N 1 0 437.466 2.921 50 0 IFAARO C[N@@H+]1CCN(CCCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@H](c2ccccc2)C1 ZINC000040138896 569490744 /nfs/dbraw/zinc/49/07/44/569490744.db2.gz ODUWBHODAFGELK-FQEVSTJZSA-N 1 0 442.995 2.839 50 0 IFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c32)C1 ZINC000008968775 569491816 /nfs/dbraw/zinc/49/18/16/569491816.db2.gz FEEPHMIJCOVPOU-AWEZNQCLSA-N 1 0 431.489 2.567 50 0 IFAARO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc(C(C)C)nc21 ZINC000040146757 569492338 /nfs/dbraw/zinc/49/23/38/569492338.db2.gz BDONJYRNUMUOSU-CALCHBBNSA-N 1 0 443.592 2.716 50 0 IFAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000245225634 569499526 /nfs/dbraw/zinc/49/95/26/569499526.db2.gz ZTJMUDXYRNBCGF-UZLBHIALSA-N 1 0 449.598 2.933 50 0 IFAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000245327414 569503726 /nfs/dbraw/zinc/50/37/26/569503726.db2.gz JBOYQRAGXJTKHU-PKOBYXMFSA-N 1 0 448.585 2.591 50 0 IFAARO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000245380959 569505582 /nfs/dbraw/zinc/50/55/82/569505582.db2.gz XHVDYODXSGOMIA-SXGZJXTBSA-N 1 0 431.533 2.853 50 0 IFAARO CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000009253730 569516261 /nfs/dbraw/zinc/51/62/61/569516261.db2.gz TUBRIGMLJAQQEY-UGCAPWQASA-N 1 0 435.499 2.835 50 0 IFAARO CCOc1ccc(-c2nc(SCC[NH+](CC)CC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009517536 569543607 /nfs/dbraw/zinc/54/36/07/569543607.db2.gz FUZDLLZIWZYVTK-UHFFFAOYSA-N 1 0 443.573 2.527 50 0 IFAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009578073 569548301 /nfs/dbraw/zinc/54/83/01/569548301.db2.gz AZMCQKQGDNOEMV-KRWDZBQOSA-N 1 0 437.562 2.557 50 0 IFAARO Cc1cc(C)c(OC[C@@H](O)C[N@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000009595100 569550702 /nfs/dbraw/zinc/55/07/02/569550702.db2.gz CQQPPAXBZHIFBR-GOTSBHOMSA-N 1 0 426.557 2.662 50 0 IFAARO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009778832 569567354 /nfs/dbraw/zinc/56/73/54/569567354.db2.gz GUCCOZIYITYYCT-JOCHJYFZSA-N 1 0 441.597 2.794 50 0 IFAARO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C(c1ccccc1)c1ccccc1 ZINC000009980788 569576477 /nfs/dbraw/zinc/57/64/77/569576477.db2.gz MUBYQNPVZPSVMP-HSZRJFAPSA-N 1 0 435.568 2.805 50 0 IFAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066033 569577552 /nfs/dbraw/zinc/57/75/52/569577552.db2.gz ZBFWJNXIYNHDKD-IBGZPJMESA-N 1 0 441.509 2.802 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccccn2)c1 ZINC000009506825 132319678 /nfs/dbraw/zinc/31/96/78/132319678.db2.gz HQTPMNLMWRMVOL-UHFFFAOYSA-N 1 0 445.589 2.506 50 0 IFAARO COCCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000016993421 132357167 /nfs/dbraw/zinc/35/71/67/132357167.db2.gz BLCAAXILAZMRER-DEOSSOPVSA-N 1 0 434.540 2.815 50 0 IFAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000020600817 519438188 /nfs/dbraw/zinc/43/81/88/519438188.db2.gz UCSRESDSMBLWFB-UHFFFAOYSA-N 1 0 432.572 2.902 50 0 IFAARO CC(C)Cn1c2c(nc1N1CC[NH+](Cc3cccc4ccccc43)CC1)n(C)c(=O)[nH]c2=O ZINC000020565829 519489731 /nfs/dbraw/zinc/48/97/31/519489731.db2.gz YIGRMOXLRFETAJ-UHFFFAOYSA-N 1 0 446.555 2.555 50 0 IFAARO CC(=O)N1CCCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000012319183 519527629 /nfs/dbraw/zinc/52/76/29/519527629.db2.gz TYAUAPQSSUGFIK-UHFFFAOYSA-N 1 0 436.556 2.819 50 0 IFAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766929 519798302 /nfs/dbraw/zinc/79/83/02/519798302.db2.gz UDTWKOILFBECMK-HXUWFJFHSA-N 1 0 429.952 2.880 50 0 IFAARO CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000012779994 519799287 /nfs/dbraw/zinc/79/92/87/519799287.db2.gz XKOICMAHNMYMQL-LJQANCHMSA-N 1 0 430.014 2.881 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021945 519806725 /nfs/dbraw/zinc/80/67/25/519806725.db2.gz UZPHEAGMUZZUDX-GSRZOBFVSA-N 1 0 437.927 2.959 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)CC1 ZINC000020919180 519858125 /nfs/dbraw/zinc/85/81/25/519858125.db2.gz HUGMLOZKNZFGBO-UHFFFAOYSA-N 1 0 446.617 2.768 50 0 IFAARO CCCC(=O)N1CCC([C@@]2(Cc3ccccc3C)NC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000012281112 519863204 /nfs/dbraw/zinc/86/32/04/519863204.db2.gz GBKXYNAHKHQBDR-RUZDIDTESA-N 1 0 442.604 2.819 50 0 IFAARO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000022892453 520457891 /nfs/dbraw/zinc/45/78/91/520457891.db2.gz XYEVPSAARMLIEA-JOCHJYFZSA-N 1 0 429.605 2.817 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C ZINC000012100285 520684609 /nfs/dbraw/zinc/68/46/09/520684609.db2.gz URGFZULALXWTOA-UHFFFAOYSA-N 1 0 438.532 2.727 50 0 IFAARO CC1CC[NH+](CCCNC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000020574647 521003986 /nfs/dbraw/zinc/00/39/86/521003986.db2.gz JQGDPFQNGSRMDM-UHFFFAOYSA-N 1 0 441.507 2.819 50 0 IFAARO CC1CCN(c2ccc3nnc(CCC(=O)NC[C@@H]4CC[N@@H+](C5CCCC5)C4)n3n2)CC1 ZINC000020530498 521043598 /nfs/dbraw/zinc/04/35/98/521043598.db2.gz LDMHEBFMKLLZLT-IBGZPJMESA-N 1 0 439.608 2.674 50 0 IFAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)c1N ZINC000021652056 521579098 /nfs/dbraw/zinc/57/90/98/521579098.db2.gz UQZSJCVGOKNPEW-UHFFFAOYSA-N 1 0 435.528 2.883 50 0 IFAARO CCN1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000022789167 521639221 /nfs/dbraw/zinc/63/92/21/521639221.db2.gz JJVPBUWBSQAWCV-HXUWFJFHSA-N 1 0 438.572 2.680 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)CC1 ZINC000020514718 521681135 /nfs/dbraw/zinc/68/11/35/521681135.db2.gz HJNIJTOQLROGPR-GDLZYMKVSA-N 1 0 437.993 2.998 50 0 IFAARO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022582361 522117318 /nfs/dbraw/zinc/11/73/18/522117318.db2.gz GNODLOPCAVCJJL-FQEVSTJZSA-N 1 0 427.545 2.739 50 0 IFAARO COC(=O)c1cnn(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1N ZINC000021652328 522350909 /nfs/dbraw/zinc/35/09/09/522350909.db2.gz NRPCINBGAQPQRC-UHFFFAOYSA-N 1 0 433.512 2.636 50 0 IFAARO C[N@H+](C1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000020583709 522410339 /nfs/dbraw/zinc/41/03/39/522410339.db2.gz RBCTVTVMRHWCPY-UHFFFAOYSA-N 1 0 436.603 2.916 50 0 IFAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000020786100 522778491 /nfs/dbraw/zinc/77/84/91/522778491.db2.gz XMCXPJUZBLEMJC-HXUWFJFHSA-N 1 0 443.592 2.812 50 0 IFAARO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000021583355 522823281 /nfs/dbraw/zinc/82/32/81/522823281.db2.gz QDEDQNZCXNIZOR-MRXNPFEDSA-N 1 0 439.516 2.602 50 0 IFAARO COC(=O)C1C(C[NH2+]CCc2ccc(OC)c(OC)c2)=NC(=O)N[C@@H]1c1ccccc1C ZINC000012463038 522890406 /nfs/dbraw/zinc/89/04/06/522890406.db2.gz UYJQNANPEPPCGH-JOCHJYFZSA-N 1 0 439.512 2.626 50 0 IFAARO COCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020920856 522972207 /nfs/dbraw/zinc/97/22/07/522972207.db2.gz ZZJXUSLUSHXXLZ-HXUWFJFHSA-N 1 0 427.545 2.937 50 0 IFAARO CC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012582290 522987425 /nfs/dbraw/zinc/98/74/25/522987425.db2.gz SMIPUCMLHCVXAY-NRFANRHFSA-N 1 0 429.561 2.832 50 0 IFAARO CC[C@@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1CCN1CCOCC1)[NH+](C)C ZINC000012897563 523131245 /nfs/dbraw/zinc/13/12/45/523131245.db2.gz RYOFMDZERJLQMB-NRFANRHFSA-N 1 0 444.649 2.775 50 0 IFAARO COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)cc1OC ZINC000035421900 523614073 /nfs/dbraw/zinc/61/40/73/523614073.db2.gz RSYJJXCREPJWBA-IBGZPJMESA-N 1 0 439.556 2.772 50 0 IFAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1S(=O)(=O)NC1CC1 ZINC000009666495 523714737 /nfs/dbraw/zinc/71/47/37/523714737.db2.gz JTPDOARLXJSRAA-UHFFFAOYSA-N 1 0 443.569 2.662 50 0 IFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)CC1 ZINC000012300442 523811898 /nfs/dbraw/zinc/81/18/98/523811898.db2.gz JOBMYKJLDGPOTK-LJQANCHMSA-N 1 0 430.549 2.958 50 0 IFAARO CN1CC[NH+](C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CCCCC2)CC1 ZINC000020676606 523890483 /nfs/dbraw/zinc/89/04/83/523890483.db2.gz ICMSONGRUQVEGD-SFHVURJKSA-N 1 0 432.996 2.759 50 0 IFAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000022766306 523919469 /nfs/dbraw/zinc/91/94/69/523919469.db2.gz LGJREAVIIAVDNL-QGZVFWFLSA-N 1 0 440.491 2.810 50 0 IFAARO COCCNC(=O)c1ccc(OC2CC[NH+](C3CCN(C(C)=O)CC3)CC2)c(Cl)c1 ZINC000015068330 523926220 /nfs/dbraw/zinc/92/62/20/523926220.db2.gz BERDZNFXIBRYTQ-UHFFFAOYSA-N 1 0 437.968 2.570 50 0 IFAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1OC ZINC000035686211 523973611 /nfs/dbraw/zinc/97/36/11/523973611.db2.gz HAUFJXSHOCQVGS-GOSISDBHSA-N 1 0 427.497 2.999 50 0 IFAARO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1OC ZINC000020727839 523973653 /nfs/dbraw/zinc/97/36/53/523973653.db2.gz HAUFJXSHOCQVGS-SFHVURJKSA-N 1 0 427.497 2.999 50 0 IFAARO COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012304379 524008641 /nfs/dbraw/zinc/00/86/41/524008641.db2.gz PYXXSYLPQHYICC-HSZRJFAPSA-N 1 0 438.572 2.932 50 0 IFAARO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000012587599 524023601 /nfs/dbraw/zinc/02/36/01/524023601.db2.gz FZHUJEDGLDRTFF-UHFFFAOYSA-N 1 0 435.521 2.591 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C ZINC000020912291 524039558 /nfs/dbraw/zinc/03/95/58/524039558.db2.gz OXXJIJNEVKJWCE-UHFFFAOYSA-N 1 0 437.519 2.651 50 0 IFAARO CN(C(=O)C[NH+](C)C)[C@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccn2)CC1 ZINC000012453695 524041886 /nfs/dbraw/zinc/04/18/86/524041886.db2.gz LKDRIWSWKRNIFZ-JHUUHBRDSA-N 1 0 434.584 2.965 50 0 IFAARO C[C@H]1CCC[N@H+](CCCNC(=O)CCCN2c3cc(-c4cccn4C)nn3CCC2=O)C1 ZINC000021644857 524087774 /nfs/dbraw/zinc/08/77/74/524087774.db2.gz FKWUQEFASNGHOM-IBGZPJMESA-N 1 0 440.592 2.644 50 0 IFAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 ZINC000012342236 524092634 /nfs/dbraw/zinc/09/26/34/524092634.db2.gz ABICOVPZFGWHHQ-INIZCTEOSA-N 1 0 436.249 2.722 50 0 IFAARO COc1cccc([C@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804912 524161431 /nfs/dbraw/zinc/16/14/31/524161431.db2.gz CWRNNFDPHSSPLM-REWPJTCUSA-N 1 0 446.617 2.795 50 0 IFAARO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459780 524180948 /nfs/dbraw/zinc/18/09/48/524180948.db2.gz BDWASRBCWVNJPC-QGZVFWFLSA-N 1 0 427.636 2.777 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CCCN2c3cc(-c4cccn4C)nn3CCC2=O)C1 ZINC000021644851 524223729 /nfs/dbraw/zinc/22/37/29/524223729.db2.gz FKWUQEFASNGHOM-LJQANCHMSA-N 1 0 440.592 2.644 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CC2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000035459737 524223852 /nfs/dbraw/zinc/22/38/52/524223852.db2.gz AZISZIPPRXQTNP-QGZVFWFLSA-N 1 0 427.636 2.777 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1c2cccc1C ZINC000012890189 524240901 /nfs/dbraw/zinc/24/09/01/524240901.db2.gz BQDLWEHAVJYOKK-PDJBRUORSA-N 1 0 429.904 2.802 50 0 IFAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000021534436 524381912 /nfs/dbraw/zinc/38/19/12/524381912.db2.gz HPCYMHCUOXZXMH-UHFFFAOYSA-N 1 0 443.613 2.933 50 0 IFAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021534414 524382427 /nfs/dbraw/zinc/38/24/27/524382427.db2.gz SONCGVYYKUYPIG-UHFFFAOYSA-N 1 0 429.586 2.625 50 0 IFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000021534224 524403206 /nfs/dbraw/zinc/40/32/06/524403206.db2.gz BMJSUEVEHNWVOA-UHFFFAOYSA-N 1 0 443.613 2.933 50 0 IFAARO Cc1ccc(N2C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@H]2C)cc1 ZINC000012785028 524924263 /nfs/dbraw/zinc/92/42/63/524924263.db2.gz BEEUKWGDVLWDNH-LJQANCHMSA-N 1 0 434.540 2.933 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000021108506 525137947 /nfs/dbraw/zinc/13/79/47/525137947.db2.gz QMIQVCVCVJDTMA-UHFFFAOYSA-N 1 0 443.569 2.825 50 0 IFAARO COc1ccc([C@H]2NC3=NCN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1OC ZINC000012323982 525428515 /nfs/dbraw/zinc/42/85/15/525428515.db2.gz RTAJDJBXXLJCGB-QFIPXVFZSA-N 1 0 449.559 2.548 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000020610725 525558197 /nfs/dbraw/zinc/55/81/97/525558197.db2.gz CQCPNMABNNJHRU-QPXQOZNCSA-N 1 0 427.570 2.883 50 0 IFAARO CSCC[C@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3C)CC2)O1 ZINC000012450783 525593903 /nfs/dbraw/zinc/59/39/03/525593903.db2.gz NLVRGSLVFZHXBS-YADHBBJMSA-N 1 0 447.645 2.883 50 0 IFAARO CSCC[C@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000020610727 525599309 /nfs/dbraw/zinc/59/93/09/525599309.db2.gz CQCPNMABNNJHRU-CROMWVBPSA-N 1 0 427.570 2.883 50 0 IFAARO COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)c1 ZINC000015007726 526233937 /nfs/dbraw/zinc/23/39/37/526233937.db2.gz UOJSKHSLEPVZDC-UXHICEINSA-N 1 0 446.519 2.624 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423399 526250000 /nfs/dbraw/zinc/25/00/00/526250000.db2.gz KXXLUSIGEGLTKZ-KRWDZBQOSA-N 1 0 433.512 2.895 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527842 526307068 /nfs/dbraw/zinc/30/70/68/526307068.db2.gz OIQLEMIOTAUWNJ-UHFFFAOYSA-N 1 0 429.524 2.913 50 0 IFAARO O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020466321 526382487 /nfs/dbraw/zinc/38/24/87/526382487.db2.gz UVEIRAULLMFKCL-UHFFFAOYSA-N 1 0 442.604 2.649 50 0 IFAARO O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCC[NH+]1CCCCC1 ZINC000035374824 526825497 /nfs/dbraw/zinc/82/54/97/526825497.db2.gz OWGYXLDGUOPTLW-UHFFFAOYSA-N 1 0 429.952 2.932 50 0 IFAARO O=C(c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1)N1CCN(c2ccccn2)CC1 ZINC000020941256 526887451 /nfs/dbraw/zinc/88/74/51/526887451.db2.gz OIZRDWPEQKLKOL-UHFFFAOYSA-N 1 0 434.519 2.836 50 0 IFAARO Cc1nc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795876 526964426 /nfs/dbraw/zinc/96/44/26/526964426.db2.gz KOBHSKCUVJRTLR-UHFFFAOYSA-N 1 0 438.532 2.901 50 0 IFAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+][C@H]3CCCCNC3=O)CC2)cc1 ZINC000012242890 526985657 /nfs/dbraw/zinc/98/56/57/526985657.db2.gz HYFAAPVRPYYWCE-QHCPKHFHSA-N 1 0 436.556 2.931 50 0 IFAARO NC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000015731438 527033537 /nfs/dbraw/zinc/03/35/37/527033537.db2.gz PFRLOUVORHQNJH-UHFFFAOYSA-N 1 0 427.979 2.691 50 0 IFAARO NC(=O)c1ccc(N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000012386425 527055888 /nfs/dbraw/zinc/05/58/88/527055888.db2.gz ZCSLFOKWWZIWIZ-QFIPXVFZSA-N 1 0 435.572 2.568 50 0 IFAARO O=S(=O)(NC[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000022875291 527221277 /nfs/dbraw/zinc/22/12/77/527221277.db2.gz NNZWRXTZFOMDNZ-DEOSSOPVSA-N 1 0 436.581 2.919 50 0 IFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1 ZINC000020488607 527668105 /nfs/dbraw/zinc/66/81/05/527668105.db2.gz CMMXPXJXCHITMK-UHFFFAOYSA-N 1 0 437.519 2.737 50 0 IFAARO CCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936252 535223856 /nfs/dbraw/zinc/22/38/56/535223856.db2.gz QTEXHRBSNBCQPH-SFHVURJKSA-N 1 0 427.597 2.617 50 0 IFAARO CC[NH+](CC)CCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000009597558 535529212 /nfs/dbraw/zinc/52/92/12/535529212.db2.gz KRVHPIDMANDCQG-UHFFFAOYSA-N 1 0 441.576 2.557 50 0 IFAARO CC(C)OC[C@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682313 555816068 /nfs/dbraw/zinc/81/60/68/555816068.db2.gz WGIYNCYLCDMSNZ-OAQYLSRUSA-N 1 0 448.514 2.910 50 0 IFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)NC1CC1 ZINC000034708055 555822457 /nfs/dbraw/zinc/82/24/57/555822457.db2.gz DMMKQBOZBSEHCD-HSZRJFAPSA-N 1 0 428.529 2.878 50 0 IFAARO COc1cccc(C(=O)N2[C@@H](C(=O)NCC[NH+]3CCCC3)COC23CCC(C)CC3)c1 ZINC000034921065 555931495 /nfs/dbraw/zinc/93/14/95/555931495.db2.gz MZKGDIRKQYJAPC-RUPGZQMFSA-N 1 0 429.561 2.655 50 0 IFAARO Cc1ccc2[nH]c3c(cnn(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 ZINC000009225953 556260057 /nfs/dbraw/zinc/26/00/57/556260057.db2.gz FLKXFCUSWOZSFO-UHFFFAOYSA-N 1 0 429.524 2.967 50 0 IFAARO O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013693099 556282610 /nfs/dbraw/zinc/28/26/10/556282610.db2.gz BRBADCJFNCJFDD-UHFFFAOYSA-N 1 0 432.524 2.502 50 0 IFAARO O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NCC[NH+]1CCCC1 ZINC000013879964 556325036 /nfs/dbraw/zinc/32/50/36/556325036.db2.gz LXZFEUSUTNFDIF-UHFFFAOYSA-N 1 0 448.611 2.912 50 0 IFAARO C[NH+](C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000032781239 556349339 /nfs/dbraw/zinc/34/93/39/556349339.db2.gz YVSLUSGZPKCILK-OAQYLSRUSA-N 1 0 427.526 2.791 50 0 IFAARO O=C(C[NH+]1CCCCC1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000011873060 556369329 /nfs/dbraw/zinc/36/93/29/556369329.db2.gz KYBSEQHMLBPDOM-UHFFFAOYSA-N 1 0 439.516 2.514 50 0 IFAARO COc1cccc(C[NH2+]C2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)c1OC ZINC000011912763 556375630 /nfs/dbraw/zinc/37/56/30/556375630.db2.gz IOSVVRKIXBHVGX-UHFFFAOYSA-N 1 0 439.556 2.935 50 0 IFAARO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000011995393 556383828 /nfs/dbraw/zinc/38/38/28/556383828.db2.gz GKBQCBHVPJENBP-OAQYLSRUSA-N 1 0 443.573 2.843 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc4nsnc4c2)CC3)CC1 ZINC000012030768 556388555 /nfs/dbraw/zinc/38/85/55/556388555.db2.gz ZVOLUDXNKCZSIV-QGZVFWFLSA-N 1 0 443.573 2.594 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](CC(c1ccccc1)c1ccccc1)CC2)[C@H]1CCOC1 ZINC000012035523 556389583 /nfs/dbraw/zinc/38/95/83/556389583.db2.gz XIYDTSXJSWISKU-QFIPXVFZSA-N 1 0 445.567 2.621 50 0 IFAARO CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[NH+]1CCCCC1 ZINC000014232481 556398274 /nfs/dbraw/zinc/39/82/74/556398274.db2.gz FTRUZYGYBIAMFM-UHFFFAOYSA-N 1 0 425.570 2.607 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579028 556406056 /nfs/dbraw/zinc/40/60/56/556406056.db2.gz HJUNFKAMYGEARP-UHFFFAOYSA-N 1 0 435.528 2.536 50 0 IFAARO CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)C1=O ZINC000014249702 556408385 /nfs/dbraw/zinc/40/83/85/556408385.db2.gz DZZLPKAADXQUOX-VWLOTQADSA-N 1 0 434.540 2.756 50 0 IFAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+]([C@H](C)CSC)CC2)C1=O ZINC000014533468 556422018 /nfs/dbraw/zinc/42/20/18/556422018.db2.gz IEWGNLBPVDGSHI-GOSISDBHSA-N 1 0 449.617 2.734 50 0 IFAARO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1OC(F)(F)F ZINC000013013331 556436362 /nfs/dbraw/zinc/43/63/62/556436362.db2.gz XPFMSTXKYWDHOY-UHFFFAOYSA-N 1 0 442.438 2.693 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014731716 556436736 /nfs/dbraw/zinc/43/67/36/556436736.db2.gz VZKZUEXUXGSJGV-INIZCTEOSA-N 1 0 432.515 2.937 50 0 IFAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000022936562 556445750 /nfs/dbraw/zinc/44/57/50/556445750.db2.gz BIGPXWXUBUAAOW-UHFFFAOYSA-N 1 0 443.567 2.685 50 0 IFAARO Cc1cc(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000013095287 556456266 /nfs/dbraw/zinc/45/62/66/556456266.db2.gz RQWULUOKLMKSFB-HOTGVXAUSA-N 1 0 449.555 2.896 50 0 IFAARO Cc1cc(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000013095284 556456293 /nfs/dbraw/zinc/45/62/93/556456293.db2.gz RQWULUOKLMKSFB-HZPDHXFCSA-N 1 0 449.555 2.896 50 0 IFAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1 ZINC000013096466 556457298 /nfs/dbraw/zinc/45/72/98/556457298.db2.gz FBRIVQXFKBCLNB-IXDOHACOSA-N 1 0 449.548 2.913 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)CCn2cccn2)CC1 ZINC000014952704 556461238 /nfs/dbraw/zinc/46/12/38/556461238.db2.gz AHFNTUYXYVQCKF-SFHVURJKSA-N 1 0 430.549 2.590 50 0 IFAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000014966052 556465714 /nfs/dbraw/zinc/46/57/14/556465714.db2.gz VCWNFTDKGCMVMI-NRFANRHFSA-N 1 0 434.964 2.753 50 0 IFAARO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc(CO)o3)CC2)[C@H]1OCCOC ZINC000014977047 556469266 /nfs/dbraw/zinc/46/92/66/556469266.db2.gz CNVWRQGZZNFFLI-RPWUZVMVSA-N 1 0 442.556 2.918 50 0 IFAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@H]1CCCN(c2ncccn2)C1 ZINC000014985660 556472220 /nfs/dbraw/zinc/47/22/20/556472220.db2.gz PLSCSHGKHPIHCL-FPOVZHCZSA-N 1 0 441.551 2.882 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000072283833 556474763 /nfs/dbraw/zinc/47/47/63/556474763.db2.gz MFNWJSBDHZINFG-UHFFFAOYSA-N 1 0 443.979 2.980 50 0 IFAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC ZINC000014990369 556474823 /nfs/dbraw/zinc/47/48/23/556474823.db2.gz FQJZLSKXPKEZRC-UHFFFAOYSA-N 1 0 448.571 2.988 50 0 IFAARO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000014993779 556476552 /nfs/dbraw/zinc/47/65/52/556476552.db2.gz ZYRCANUQBHWAHB-INIZCTEOSA-N 1 0 438.528 2.948 50 0 IFAARO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000014993777 556476573 /nfs/dbraw/zinc/47/65/73/556476573.db2.gz ZYRCANUQBHWAHB-MRXNPFEDSA-N 1 0 438.528 2.948 50 0 IFAARO CN1C(=O)C[C@@](CC(=O)N2CCC[N@H+](Cc3cccs3)CC2)(c2ccccc2F)C1=O ZINC000014995272 556477611 /nfs/dbraw/zinc/47/76/11/556477611.db2.gz YBZOJPGTJUVGPE-HSZRJFAPSA-N 1 0 443.544 2.638 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)Cc1ccccc1 ZINC000029918185 556486457 /nfs/dbraw/zinc/48/64/57/556486457.db2.gz VLSNOFAKOPXVJL-OAQYLSRUSA-N 1 0 429.586 2.692 50 0 IFAARO COc1cc(CC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000030000098 556488898 /nfs/dbraw/zinc/48/88/98/556488898.db2.gz PNCZHLLDQZLJAI-OAQYLSRUSA-N 1 0 441.572 2.750 50 0 IFAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1 ZINC000015062464 556490450 /nfs/dbraw/zinc/49/04/50/556490450.db2.gz NKUHXQLROQTRSU-LJQANCHMSA-N 1 0 426.513 2.889 50 0 IFAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCN(CCO)CC1 ZINC000015061670 556490708 /nfs/dbraw/zinc/49/07/08/556490708.db2.gz FGNSPXFPOIJSQG-UHFFFAOYSA-N 1 0 437.584 2.523 50 0 IFAARO CN(CCn1ccnc1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000015066947 556493044 /nfs/dbraw/zinc/49/30/44/556493044.db2.gz JRQNMJASUNJPDW-UHFFFAOYSA-N 1 0 449.603 2.753 50 0 IFAARO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(Cc3cccc4c3OCO4)CC2)CC1 ZINC000015069891 556494976 /nfs/dbraw/zinc/49/49/76/556494976.db2.gz RVULNNMSWUSGIS-UHFFFAOYSA-N 1 0 436.556 2.803 50 0 IFAARO O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1C1C2CC3CC(C2)CC1C3 ZINC000015070596 556495413 /nfs/dbraw/zinc/49/54/13/556495413.db2.gz VHEOJWVVZUEPJH-NLFMHIACSA-N 1 0 438.551 2.611 50 0 IFAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)CC1 ZINC000015075039 556498760 /nfs/dbraw/zinc/49/87/60/556498760.db2.gz MILHGCYBTUIFDQ-DEOSSOPVSA-N 1 0 448.611 2.867 50 0 IFAARO Cc1nccn1CC(=O)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265711 556523402 /nfs/dbraw/zinc/52/34/02/556523402.db2.gz YGDFBPOKSBSUJG-XMMPIXPASA-N 1 0 429.528 2.893 50 0 IFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000013575614 556525640 /nfs/dbraw/zinc/52/56/40/556525640.db2.gz AQBCUPGBFSNXOC-LMMUWCHVSA-N 1 0 442.519 2.930 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000015671278 556542276 /nfs/dbraw/zinc/54/22/76/556542276.db2.gz QSGDYRKKGNIWQR-UHFFFAOYSA-N 1 0 429.590 2.903 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671287 556542365 /nfs/dbraw/zinc/54/23/65/556542365.db2.gz ACXCMOVKADXJHD-UHFFFAOYSA-N 1 0 429.590 2.849 50 0 IFAARO COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000015725593 556547109 /nfs/dbraw/zinc/54/71/09/556547109.db2.gz TUUYBJCVTRIGAX-DEOSSOPVSA-N 1 0 446.551 2.944 50 0 IFAARO COc1cc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1Cl ZINC000033326762 556561633 /nfs/dbraw/zinc/56/16/33/556561633.db2.gz XGVOEBWFOVKZTG-UHFFFAOYSA-N 1 0 434.928 2.876 50 0 IFAARO CSc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c1 ZINC000033326813 556561658 /nfs/dbraw/zinc/56/16/58/556561658.db2.gz UCGVKRYAILWGST-UHFFFAOYSA-N 1 0 428.562 2.698 50 0 IFAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000072308608 556565327 /nfs/dbraw/zinc/56/53/27/556565327.db2.gz IWPATACMEMXVCF-LJQANCHMSA-N 1 0 447.583 2.944 50 0 IFAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016024548 556575972 /nfs/dbraw/zinc/57/59/72/556575972.db2.gz YGUKFBBBTVXVDY-CJXDPKRBSA-N 1 0 434.334 2.624 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000016024749 556575985 /nfs/dbraw/zinc/57/59/85/556575985.db2.gz OGPXOPVGYZCTOV-YRKFHGTDSA-N 1 0 447.535 2.772 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2C)CC1 ZINC000016300145 556598921 /nfs/dbraw/zinc/59/89/21/556598921.db2.gz LEURONVWADHWQF-UHFFFAOYSA-N 1 0 442.585 2.711 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CSCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000032987030 556606732 /nfs/dbraw/zinc/60/67/32/556606732.db2.gz FWYGVQRBBGPLMX-UHFFFAOYSA-N 1 0 449.602 2.634 50 0 IFAARO O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCC[NH+]1CCCCC1 ZINC000032987259 556607223 /nfs/dbraw/zinc/60/72/23/556607223.db2.gz ZWDNEJRHKATFBB-UHFFFAOYSA-N 1 0 437.566 2.765 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000032989047 556608946 /nfs/dbraw/zinc/60/89/46/556608946.db2.gz YFYBDRIMYPRXSG-QGZVFWFLSA-N 1 0 443.491 2.793 50 0 IFAARO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000016599141 556616838 /nfs/dbraw/zinc/61/68/38/556616838.db2.gz GDGOOZHEJUZVSN-FQEVSTJZSA-N 1 0 445.585 2.949 50 0 IFAARO CCOCc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)ccc1OC ZINC000039478631 556629095 /nfs/dbraw/zinc/62/90/95/556629095.db2.gz AUHAXFYKRALMLY-XMMPIXPASA-N 1 0 433.637 2.973 50 0 IFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000409414515 556639828 /nfs/dbraw/zinc/63/98/28/556639828.db2.gz LIIMDHOYZVIGII-NLWGTHIKSA-N 1 0 427.545 2.534 50 0 IFAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]C[C@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722016 556648031 /nfs/dbraw/zinc/64/80/31/556648031.db2.gz MBHLQFCSGCUVLA-DQEYMECFSA-N 1 0 447.535 2.813 50 0 IFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1cccc(Cl)c1 ZINC000044918490 556681860 /nfs/dbraw/zinc/68/18/60/556681860.db2.gz XCANJGBYPOARDQ-UHFFFAOYSA-N 1 0 437.931 2.858 50 0 IFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000019220761 556715073 /nfs/dbraw/zinc/71/50/73/556715073.db2.gz UQMFQZAVTMAPOA-QFIPXVFZSA-N 1 0 429.584 2.753 50 0 IFAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000033034156 556715810 /nfs/dbraw/zinc/71/58/10/556715810.db2.gz FNWQPADZIKFAJX-UHFFFAOYSA-N 1 0 444.601 2.845 50 0 IFAARO COC(=O)CCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055054188 556733015 /nfs/dbraw/zinc/73/30/15/556733015.db2.gz JEGZGJXGRGZHPU-SFHVURJKSA-N 1 0 427.467 2.772 50 0 IFAARO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680167 556735119 /nfs/dbraw/zinc/73/51/19/556735119.db2.gz CQJIGPOAHHTBDW-FGZHOGPDSA-N 1 0 428.621 2.545 50 0 IFAARO Cn1cc(CCNC(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)cn1 ZINC000019335404 556738269 /nfs/dbraw/zinc/73/82/69/556738269.db2.gz YJJDOENHKSLHLV-UHFFFAOYSA-N 1 0 436.560 2.601 50 0 IFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1nnc(-c2ccccn2)s1 ZINC000058158350 556763251 /nfs/dbraw/zinc/76/32/51/556763251.db2.gz DEMKHNGIPRMSEW-UHFFFAOYSA-N 1 0 437.573 2.930 50 0 IFAARO O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058167928 556766954 /nfs/dbraw/zinc/76/69/54/556766954.db2.gz OOFROAOSUPSVCJ-REWPJTCUSA-N 1 0 433.556 2.635 50 0 IFAARO Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1C ZINC000058180483 556770289 /nfs/dbraw/zinc/77/02/89/556770289.db2.gz YMLJJKUNGUHJNS-SFHVURJKSA-N 1 0 426.536 2.802 50 0 IFAARO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)cc1S(=O)(=O)NC1CC1 ZINC000058244239 556774675 /nfs/dbraw/zinc/77/46/75/556774675.db2.gz GVEXJPOPASXNNS-SFHVURJKSA-N 1 0 435.590 2.663 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccnc3N3CCOCC3)cc2C)CC1 ZINC000058357807 556782923 /nfs/dbraw/zinc/78/29/23/556782923.db2.gz UKGLZNXJJODGDL-UHFFFAOYSA-N 1 0 438.576 2.690 50 0 IFAARO CN(C[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058393241 556785093 /nfs/dbraw/zinc/78/50/93/556785093.db2.gz KFIQZDNQCPWLPC-HSZRJFAPSA-N 1 0 436.604 2.577 50 0 IFAARO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cnn1-c1ccc(=O)[nH]n1 ZINC000060168096 556807148 /nfs/dbraw/zinc/80/71/48/556807148.db2.gz BLSNLJMYGXIFRT-UHFFFAOYSA-N 1 0 448.449 2.899 50 0 IFAARO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c(Cl)c1 ZINC000064800213 556827165 /nfs/dbraw/zinc/82/71/65/556827165.db2.gz BCLBWXLPKVECGU-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCOCC3)n2)CC1 ZINC000064800401 556827189 /nfs/dbraw/zinc/82/71/89/556827189.db2.gz MJWPWZDIVVGEJO-UHFFFAOYSA-N 1 0 446.939 2.638 50 0 IFAARO COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000064816772 556827568 /nfs/dbraw/zinc/82/75/68/556827568.db2.gz BQEBEIIRWWBIMF-UHFFFAOYSA-N 1 0 447.539 2.787 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c(C)c1 ZINC000065365108 556835858 /nfs/dbraw/zinc/83/58/58/556835858.db2.gz UFVQZAGFMHLSCJ-UHFFFAOYSA-N 1 0 429.590 2.821 50 0 IFAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cccc(F)c2)CC1)c1cccc(F)c1 ZINC000019640902 556837280 /nfs/dbraw/zinc/83/72/80/556837280.db2.gz UYZXLNGROJGZOU-UHFFFAOYSA-N 1 0 444.526 2.522 50 0 IFAARO CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000067613310 556844366 /nfs/dbraw/zinc/84/43/66/556844366.db2.gz XATDXHYXCCHFCJ-UHFFFAOYSA-N 1 0 429.542 2.869 50 0 IFAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000033071040 556851103 /nfs/dbraw/zinc/85/11/03/556851103.db2.gz OXMWGNGTUAANEE-UHFFFAOYSA-N 1 0 446.599 2.713 50 0 IFAARO O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CC[NH2+]CC1)N1CCCCCC1 ZINC000033121020 556862699 /nfs/dbraw/zinc/86/26/99/556862699.db2.gz VHQVKCBRLPSKBT-UHFFFAOYSA-N 1 0 442.585 2.913 50 0 IFAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071614947 556887101 /nfs/dbraw/zinc/88/71/01/556887101.db2.gz JIQVPHZHTUUHPS-FQEVSTJZSA-N 1 0 432.572 2.998 50 0 IFAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000019745475 556892019 /nfs/dbraw/zinc/89/20/19/556892019.db2.gz ZFHYYBGQFYMYDO-UHFFFAOYSA-N 1 0 446.530 2.858 50 0 IFAARO Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCC[NH+]5CCCCC5)CC4)nn32)cc1 ZINC000033260284 556896981 /nfs/dbraw/zinc/89/69/81/556896981.db2.gz XTZCZKQZBSPMMZ-UHFFFAOYSA-N 1 0 447.587 2.918 50 0 IFAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000072433957 556972339 /nfs/dbraw/zinc/97/23/39/556972339.db2.gz NEGYXQXDWQIQOI-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO Cc1nc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072442401 556973495 /nfs/dbraw/zinc/97/34/95/556973495.db2.gz PCIONOCTNNDWOT-UHFFFAOYSA-N 1 0 445.527 2.930 50 0 IFAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000020109696 556984844 /nfs/dbraw/zinc/98/48/44/556984844.db2.gz PZNRZTRXERHAJQ-UXHICEINSA-N 1 0 432.948 2.988 50 0 IFAARO Cc1cc(O)c([C@@H](c2ccccc2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000023086379 556997327 /nfs/dbraw/zinc/99/73/27/556997327.db2.gz GQTWTMTZTVKJJK-RUZDIDTESA-N 1 0 433.552 2.610 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000043743406 557012304 /nfs/dbraw/zinc/01/23/04/557012304.db2.gz YRMOPAGMKRTMFB-KWALNSLNSA-N 1 0 447.535 2.889 50 0 IFAARO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000010814029 557029912 /nfs/dbraw/zinc/02/99/12/557029912.db2.gz CUSZJBVLCFOZOO-UHFFFAOYSA-N 1 0 449.617 2.715 50 0 IFAARO COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)cc1 ZINC000017245994 557044380 /nfs/dbraw/zinc/04/43/80/557044380.db2.gz BYLLWVSKRUHUJP-UHFFFAOYSA-N 1 0 427.501 2.514 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccc(F)cc4)no3)cn2)CC1 ZINC000048287320 557052826 /nfs/dbraw/zinc/05/28/26/557052826.db2.gz PHXBVKXFZITXNG-UHFFFAOYSA-N 1 0 438.507 2.662 50 0 IFAARO CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275389 557053974 /nfs/dbraw/zinc/05/39/74/557053974.db2.gz RARQOKZZLTVOPU-UHFFFAOYSA-N 1 0 448.564 2.908 50 0 IFAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1)N1CCOCC1 ZINC000017317370 557057583 /nfs/dbraw/zinc/05/75/83/557057583.db2.gz CWEMCGSDDGYEJC-UHFFFAOYSA-N 1 0 425.348 2.760 50 0 IFAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000048309959 557060209 /nfs/dbraw/zinc/06/02/09/557060209.db2.gz LJFRXIZFMRFJOZ-UHFFFAOYSA-N 1 0 443.979 2.914 50 0 IFAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000048324950 557065684 /nfs/dbraw/zinc/06/56/84/557065684.db2.gz GRYJLPYGFYBDFQ-DLBZAZTESA-N 1 0 448.539 2.602 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1 ZINC000023134455 557067084 /nfs/dbraw/zinc/06/70/84/557067084.db2.gz XYRZARFJJMDQKW-UHFFFAOYSA-N 1 0 448.614 2.539 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c(C)c1 ZINC000048332480 557070155 /nfs/dbraw/zinc/07/01/55/557070155.db2.gz CFBVNTRECBQTMK-JOCHJYFZSA-N 1 0 441.597 2.801 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c(C)c1 ZINC000048332479 557070217 /nfs/dbraw/zinc/07/02/17/557070217.db2.gz CFBVNTRECBQTMK-QFIPXVFZSA-N 1 0 441.597 2.801 50 0 IFAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000049694335 557118319 /nfs/dbraw/zinc/11/83/19/557118319.db2.gz FIADHEMMKOWZGB-RQXXJAGISA-N 1 0 425.847 2.910 50 0 IFAARO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000024760793 557135283 /nfs/dbraw/zinc/13/52/83/557135283.db2.gz XLHGEUTXDSFDFO-HNNXBMFYSA-N 1 0 444.498 2.835 50 0 IFAARO O=C(COc1ccccc1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCCC1 ZINC000025262317 557201845 /nfs/dbraw/zinc/20/18/45/557201845.db2.gz QNVFYIIRTVSKAC-HSZRJFAPSA-N 1 0 441.547 2.990 50 0 IFAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000101373418 557278526 /nfs/dbraw/zinc/27/85/26/557278526.db2.gz LSVXSJVRRSHRMY-UHFFFAOYSA-N 1 0 441.572 2.918 50 0 IFAARO CC1(C)CC(Nc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)[NH2+]1 ZINC000101702744 557294192 /nfs/dbraw/zinc/29/41/92/557294192.db2.gz QFKDFZNTCAPSDC-UHFFFAOYSA-N 1 0 430.980 2.984 50 0 IFAARO O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC[NH+]1CCCCCC1 ZINC000032987738 557321933 /nfs/dbraw/zinc/32/19/33/557321933.db2.gz CWGXXHJZBASXPR-UHFFFAOYSA-N 1 0 449.552 2.828 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000032989045 557322003 /nfs/dbraw/zinc/32/20/03/557322003.db2.gz YFYBDRIMYPRXSG-KRWDZBQOSA-N 1 0 443.491 2.793 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1 ZINC000106465716 557529592 /nfs/dbraw/zinc/52/95/92/557529592.db2.gz KUKJTSMSPFATRG-RDPSFJRHSA-N 1 0 426.605 2.589 50 0 IFAARO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000106536443 557529868 /nfs/dbraw/zinc/52/98/68/557529868.db2.gz JKBMCKGAWQMYHU-FSBGXSNOSA-N 1 0 425.847 2.910 50 0 IFAARO O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000107365537 557535621 /nfs/dbraw/zinc/53/56/21/557535621.db2.gz ALVCIIDTNGGTRL-HKUYNNGSSA-N 1 0 426.542 2.730 50 0 IFAARO CC(C)[C@@H](C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)N1CCCC1=O ZINC000108162245 557541635 /nfs/dbraw/zinc/54/16/35/557541635.db2.gz GMDLLBWOFMZYRL-ROKPMTFOSA-N 1 0 429.605 2.959 50 0 IFAARO CC(C)c1ccc(S(=O)(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974654 557556565 /nfs/dbraw/zinc/55/65/65/557556565.db2.gz NJAKCMLYXCLUJH-UHFFFAOYSA-N 1 0 443.613 2.865 50 0 IFAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000045974814 557556614 /nfs/dbraw/zinc/55/66/14/557556614.db2.gz PTSQWXIFELMHEI-UHFFFAOYSA-N 1 0 429.586 2.543 50 0 IFAARO CN(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632490 557754573 /nfs/dbraw/zinc/75/45/73/557754573.db2.gz CDEBJPITIWHFOU-UNMCSNQZSA-N 1 0 446.592 2.691 50 0 IFAARO CN(C)CC(=O)Nc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000225632454 557754592 /nfs/dbraw/zinc/75/45/92/557754592.db2.gz CDEBJPITIWHFOU-RBBKRZOGSA-N 1 0 446.592 2.691 50 0 IFAARO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229710663 557833103 /nfs/dbraw/zinc/83/31/03/557833103.db2.gz HWSQTBDIFYDHFB-JBACZVJFSA-N 1 0 426.586 2.829 50 0 IFAARO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000229892721 557833699 /nfs/dbraw/zinc/83/36/99/557833699.db2.gz AYWWNOHXXVIZEQ-HNAYVOBHSA-N 1 0 427.998 2.925 50 0 IFAARO CCCS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000004111066 562942078 /nfs/dbraw/zinc/94/20/78/562942078.db2.gz OGFFWZLMIJHBSE-UHFFFAOYSA-N 1 0 435.634 2.509 50 0 IFAARO CC[N@H+](CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O)Cc1ccccc1 ZINC000008610768 562958344 /nfs/dbraw/zinc/95/83/44/562958344.db2.gz LYAUMUNKCBEYAP-UHFFFAOYSA-N 1 0 431.540 2.917 50 0 IFAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 ZINC000009109214 562967003 /nfs/dbraw/zinc/96/70/03/562967003.db2.gz TVZBMYDJHZPXMZ-COPCDDAFSA-N 1 0 444.620 2.617 50 0 IFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 ZINC000009745500 562976498 /nfs/dbraw/zinc/97/64/98/562976498.db2.gz VHHHQZWEHCAEAG-UHFFFAOYSA-N 1 0 444.557 2.533 50 0 IFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000013009899 562984047 /nfs/dbraw/zinc/98/40/47/562984047.db2.gz ZRSYBZDIGRAQGX-JOCHJYFZSA-N 1 0 425.529 2.777 50 0 IFAARO COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000013011279 562984127 /nfs/dbraw/zinc/98/41/27/562984127.db2.gz PUBJSJGAOAMANJ-HXUWFJFHSA-N 1 0 425.529 2.777 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNCC[NH+](C(C)C)C(C)C)c1 ZINC000025436397 563027522 /nfs/dbraw/zinc/02/75/22/563027522.db2.gz PRISMSABXMWTIX-UHFFFAOYSA-N 1 0 426.627 2.672 50 0 IFAARO CN(C)C(=O)CCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055060866 563142331 /nfs/dbraw/zinc/14/23/31/563142331.db2.gz PFKWBPSAJMWXBQ-IBGZPJMESA-N 1 0 440.510 2.687 50 0 IFAARO O=C(CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCCC1 ZINC000025217275 568647999 /nfs/dbraw/zinc/64/79/99/568647999.db2.gz DGNKQEKAEDZDKQ-NRFANRHFSA-N 1 0 434.584 2.786 50 0 IFAARO Cc1ccc2nc(C[NH2+]C3CCN(c4ccc(C(=O)N5CCC[C@@H](O)C5)cc4)CC3)cn2c1 ZINC000299760916 568755657 /nfs/dbraw/zinc/75/56/57/568755657.db2.gz SETITUAKJMMFAB-XMMPIXPASA-N 1 0 447.583 2.998 50 0 IFAARO C[C@@H]1C[C@H](CCNC(=O)c2ccccc2CN2C(=O)CNC2=O)C[N@@H+]1Cc1ccccc1 ZINC000084686441 568799873 /nfs/dbraw/zinc/79/98/73/568799873.db2.gz ZJZMXILVFRBZTR-QUCCMNQESA-N 1 0 434.540 2.769 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677605 568804553 /nfs/dbraw/zinc/80/45/53/568804553.db2.gz OTBBGOSNVISQCI-UHFFFAOYSA-N 1 0 445.567 2.675 50 0 IFAARO CC1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000010540968 568807269 /nfs/dbraw/zinc/80/72/69/568807269.db2.gz TYDHGMIGJQZBSR-UHFFFAOYSA-N 1 0 427.998 2.976 50 0 IFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cc(OC)c(OC)cc2OC)C3)CC1 ZINC000015779559 568825022 /nfs/dbraw/zinc/82/50/22/568825022.db2.gz HRCHRJBBKUGSHI-UHFFFAOYSA-N 1 0 441.576 2.593 50 0 IFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(OCC)c(OC)c2)C3)CC1 ZINC000015779529 568825069 /nfs/dbraw/zinc/82/50/69/568825069.db2.gz XVJXGEJXMVZXQY-UHFFFAOYSA-N 1 0 425.577 2.974 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccc(OC)c1 ZINC000012821404 568831431 /nfs/dbraw/zinc/83/14/31/568831431.db2.gz ZOSKAXSTYZCHMJ-IBGZPJMESA-N 1 0 439.965 2.809 50 0 IFAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958531 568860215 /nfs/dbraw/zinc/86/02/15/568860215.db2.gz RRORDPXZKYSTKN-GIRPNKPCSA-N 1 0 437.499 2.850 50 0 IFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000015958547 568860343 /nfs/dbraw/zinc/86/03/43/568860343.db2.gz HJECLTDIELNFIK-ZHBILRMLSA-N 1 0 433.508 2.662 50 0 IFAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000015958653 568860360 /nfs/dbraw/zinc/86/03/60/568860360.db2.gz NIYSKYYDTNLVOT-FXKZBUDASA-N 1 0 427.570 2.665 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCO2 ZINC000090607296 568889840 /nfs/dbraw/zinc/88/98/40/568889840.db2.gz ZKTLCIBQBCVZFF-KRWDZBQOSA-N 1 0 437.418 2.878 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCO2 ZINC000090607297 568889879 /nfs/dbraw/zinc/88/98/79/568889879.db2.gz ZKTLCIBQBCVZFF-QGZVFWFLSA-N 1 0 437.418 2.878 50 0 IFAARO COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000012980890 568893853 /nfs/dbraw/zinc/89/38/53/568893853.db2.gz RRXSGJZJHHLKIZ-LJQANCHMSA-N 1 0 449.548 2.652 50 0 IFAARO CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)C2=O)CC1 ZINC000064567212 568933427 /nfs/dbraw/zinc/93/34/27/568933427.db2.gz AJUGDLBOXPDDTH-UHFFFAOYSA-N 1 0 438.572 2.781 50 0 IFAARO Cn1c2c(C(=O)Nc3cccc(F)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836042 568969248 /nfs/dbraw/zinc/96/92/48/568969248.db2.gz LRSJNAYDQSGESC-UHFFFAOYSA-N 1 0 431.471 2.983 50 0 IFAARO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C2)cc1 ZINC000064839369 568969479 /nfs/dbraw/zinc/96/94/79/568969479.db2.gz BOEYMSUZMRJNHY-FQEVSTJZSA-N 1 0 443.551 2.835 50 0 IFAARO Cc1ccc(C(=O)N2CCN([C@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036255011 568984855 /nfs/dbraw/zinc/98/48/55/568984855.db2.gz GTQOFSWUCFPMLC-DEOSSOPVSA-N 1 0 440.632 2.914 50 0 IFAARO CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000036256302 568984971 /nfs/dbraw/zinc/98/49/71/568984971.db2.gz WKVBUXGRDJJVEA-LECGRMGRSA-N 1 0 440.632 2.861 50 0 IFAARO Cc1ccccc1C(=O)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255058 568985090 /nfs/dbraw/zinc/98/50/90/568985090.db2.gz UMHNSOVDYJUTIT-XMMPIXPASA-N 1 0 440.632 2.914 50 0 IFAARO CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CC[NH+](C)CC4)cc3)ccc21 ZINC000065026939 569090154 /nfs/dbraw/zinc/09/01/54/569090154.db2.gz BWLBBVWSHJZRIY-UHFFFAOYSA-N 1 0 434.584 2.876 50 0 IFAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000036384053 569092759 /nfs/dbraw/zinc/09/27/59/569092759.db2.gz FNGZRGLXURCRQV-QFIPXVFZSA-N 1 0 444.620 2.671 50 0 IFAARO CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2)cc1 ZINC000065074631 569098923 /nfs/dbraw/zinc/09/89/23/569098923.db2.gz IKMBVXMOOKHCFE-UHFFFAOYSA-N 1 0 440.613 2.954 50 0 IFAARO Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000065074703 569098984 /nfs/dbraw/zinc/09/89/84/569098984.db2.gz MPFKRFWLQNLEKE-UHFFFAOYSA-N 1 0 447.004 2.963 50 0 IFAARO CCOc1cccc(CNC(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)c1 ZINC000065154751 569112391 /nfs/dbraw/zinc/11/23/91/569112391.db2.gz COLIPMDGJPMADM-UHFFFAOYSA-N 1 0 438.576 2.842 50 0 IFAARO O=C(c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccn2)CC1 ZINC000065256056 569123261 /nfs/dbraw/zinc/12/32/61/569123261.db2.gz PWTYUQJKJAWEAA-QFIPXVFZSA-N 1 0 428.540 2.590 50 0 IFAARO O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCCn1ccnc1 ZINC000524729917 569125938 /nfs/dbraw/zinc/12/59/38/569125938.db2.gz OIMGNHHTZKIYOK-JOCHJYFZSA-N 1 0 429.480 2.595 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524734088 569127521 /nfs/dbraw/zinc/12/75/21/569127521.db2.gz VDKWHGAQNAMZQZ-UHFFFAOYSA-N 1 0 426.521 2.746 50 0 IFAARO Cn1c(=O)c2ccnn2c2ccc(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)cc21 ZINC000065270673 569127630 /nfs/dbraw/zinc/12/76/30/569127630.db2.gz YZPSGFPIKALWMJ-UHFFFAOYSA-N 1 0 447.514 2.967 50 0 IFAARO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2)N1CCOCC1 ZINC000065272774 569129034 /nfs/dbraw/zinc/12/90/34/569129034.db2.gz JGVOFQTVGXHEMN-SFHVURJKSA-N 1 0 445.629 2.802 50 0 IFAARO O=C(Cn1ncc2c1ncnc2N1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065295051 569131302 /nfs/dbraw/zinc/13/13/02/569131302.db2.gz IIBUAPHHEBOBMQ-UHFFFAOYSA-N 1 0 433.560 2.597 50 0 IFAARO COC(=O)c1ccc2c(c1)nc(N1CCC[N@H+](C)CC1)n(-c1ccc(Cl)cc1)c2=O ZINC000065306573 569133359 /nfs/dbraw/zinc/13/33/59/569133359.db2.gz DLLUHDQQYYJTAY-UHFFFAOYSA-N 1 0 426.904 2.968 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314184 569135485 /nfs/dbraw/zinc/13/54/85/569135485.db2.gz HUPUXZXVIJUHPN-JOCHJYFZSA-N 1 0 437.588 2.500 50 0 IFAARO COc1cccc([C@@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC000170607824 569144457 /nfs/dbraw/zinc/14/44/57/569144457.db2.gz NWJKFVIDYRMAAT-AZUAARDMSA-N 1 0 446.548 2.618 50 0 IFAARO COc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c(C)c1C ZINC000170609132 569144597 /nfs/dbraw/zinc/14/45/97/569144597.db2.gz NBSCJJWQNLLZKD-UHFFFAOYSA-N 1 0 431.558 2.810 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000010217824 569153384 /nfs/dbraw/zinc/15/33/84/569153384.db2.gz RDCRFRAVTVFIAV-XLIONFOSSA-N 1 0 449.548 2.773 50 0 IFAARO COc1cc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc(OC)c1 ZINC000013579224 569156193 /nfs/dbraw/zinc/15/61/93/569156193.db2.gz YHJQKHAMPIQDOJ-LJQANCHMSA-N 1 0 438.513 2.830 50 0 IFAARO Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1 ZINC000089672723 569161158 /nfs/dbraw/zinc/16/11/58/569161158.db2.gz CNXCVJQZDWAQGF-VQTJNVASSA-N 1 0 430.593 2.879 50 0 IFAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000251834623 569162037 /nfs/dbraw/zinc/16/20/37/569162037.db2.gz PVWOENMPGHRDFU-QCQOOAGBSA-N 1 0 443.632 2.906 50 0 IFAARO O=C(OC[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1COC(=O)C1CCOCC1)C1CCOCC1 ZINC000089834854 569165300 /nfs/dbraw/zinc/16/53/00/569165300.db2.gz YVRXWIBPAUYXMU-DHIUTWEWSA-N 1 0 445.556 2.674 50 0 IFAARO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000089895898 569166810 /nfs/dbraw/zinc/16/68/10/569166810.db2.gz FPRXXWSABVUMEK-RXVVDRJESA-N 1 0 443.613 2.640 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 ZINC000089967787 569169179 /nfs/dbraw/zinc/16/91/79/569169179.db2.gz WHNLKQQFOAPZBF-PMACEKPBSA-N 1 0 442.608 2.976 50 0 IFAARO CC[NH+](CC)CCOc1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000089968992 569169258 /nfs/dbraw/zinc/16/92/58/569169258.db2.gz RLSRWRUVFYXUIU-UHFFFAOYSA-N 1 0 448.589 2.778 50 0 IFAARO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000089978335 569169499 /nfs/dbraw/zinc/16/94/99/569169499.db2.gz CHOYRQQNFAAZKE-SIKLNZKXSA-N 1 0 439.512 2.724 50 0 IFAARO COc1cccc(-c2nc(N3CC[NH+](CCc4ccccc4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037360759 569181586 /nfs/dbraw/zinc/18/15/86/569181586.db2.gz RUDFMGUUAMIULA-UHFFFAOYSA-N 1 0 443.555 2.986 50 0 IFAARO COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000002155439 569187594 /nfs/dbraw/zinc/18/75/94/569187594.db2.gz DSCNMZQUMOIXTK-XMHGGMMESA-N 1 0 444.329 2.660 50 0 IFAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000252550658 569191027 /nfs/dbraw/zinc/19/10/27/569191027.db2.gz SWQLGKBVXBXXBE-FPOVZHCZSA-N 1 0 446.592 2.682 50 0 IFAARO Cc1cn([C@H](C)C(=O)NCC[NH+](C)C)/c(=N/C(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000037427975 569195883 /nfs/dbraw/zinc/19/58/83/569195883.db2.gz UEJVJBZEQNMNAQ-USGSIFQVSA-N 1 0 428.480 2.857 50 0 IFAARO C[NH+](C)CCNC(=O)[C@H](c1ccccc1)n1ccs/c1=N\C(=O)c1ccccc1F ZINC000037436680 569196216 /nfs/dbraw/zinc/19/62/16/569196216.db2.gz PABQXQRKIVXREL-NWIBBQCFSA-N 1 0 426.517 2.697 50 0 IFAARO C[NH+](C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000037524210 569198395 /nfs/dbraw/zinc/19/83/95/569198395.db2.gz MFICPIFQQGEJKT-UHFFFAOYSA-N 1 0 426.536 2.906 50 0 IFAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)n1 ZINC000581819724 569211475 /nfs/dbraw/zinc/21/14/75/569211475.db2.gz FDIHWHWBQPSSHG-JOCHJYFZSA-N 1 0 437.588 2.879 50 0 IFAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581819747 569211637 /nfs/dbraw/zinc/21/16/37/569211637.db2.gz HQLVUAYPQUSAKK-QFIPXVFZSA-N 1 0 435.634 2.556 50 0 IFAARO O=C(Cc1cccnc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820144 569211813 /nfs/dbraw/zinc/21/18/13/569211813.db2.gz UQGUKWZMCIGDFD-DEOSSOPVSA-N 1 0 434.584 2.987 50 0 IFAARO CCOC(=O)c1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000253412406 569265862 /nfs/dbraw/zinc/26/58/62/569265862.db2.gz QXTHXPYIMNKLNG-IRFCIJBXSA-N 1 0 427.545 2.597 50 0 IFAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 ZINC000002347851 569281077 /nfs/dbraw/zinc/28/10/77/569281077.db2.gz CHZWLDGEHNEEBI-UHFFFAOYSA-N 1 0 430.578 2.960 50 0 IFAARO C[C@H](C[NH+]1CCCCC1)C(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000225306027 569288888 /nfs/dbraw/zinc/28/88/88/569288888.db2.gz AUTQAAQDYHQJMV-OFNKIYASSA-N 1 0 444.595 2.583 50 0 IFAARO Cc1cccc(N2CCN(C(=O)C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 ZINC000079105462 569325681 /nfs/dbraw/zinc/32/56/81/569325681.db2.gz RZOIODVDWLAVRS-XMMPIXPASA-N 1 0 430.593 2.927 50 0 IFAARO CCc1nc(C)c(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 ZINC000019939280 569332166 /nfs/dbraw/zinc/33/21/66/569332166.db2.gz JQJXRHPQSNITLB-HXUWFJFHSA-N 1 0 425.577 2.791 50 0 IFAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4CC[NH+](C)CC4)C3)sc2c1 ZINC000020383551 569362715 /nfs/dbraw/zinc/36/27/15/569362715.db2.gz HZDZNILIUSYJQU-GOSISDBHSA-N 1 0 445.633 2.665 50 0 IFAARO CCc1nn(CC(=O)N2CC[NH+](C3CCCCC3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384098 569362883 /nfs/dbraw/zinc/36/28/83/569362883.db2.gz VWIGHVFNHHBLKC-UHFFFAOYSA-N 1 0 427.574 2.750 50 0 IFAARO Cc1c2cnn(CC(=O)NCC[NH+]3CCCC3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020417232 569364901 /nfs/dbraw/zinc/36/49/01/569364901.db2.gz SHTGMOPGJZVVSH-UHFFFAOYSA-N 1 0 441.963 2.729 50 0 IFAARO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095440474 569366544 /nfs/dbraw/zinc/36/65/44/569366544.db2.gz JMTUGGAQWNWTJQ-VXGBXAGGSA-N 1 0 441.903 2.578 50 0 IFAARO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095444037 569366974 /nfs/dbraw/zinc/36/69/74/569366974.db2.gz XEOMURKUNOTBDR-FDDCHVKYSA-N 1 0 427.501 2.860 50 0 IFAARO COc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc1I ZINC000095444728 569367118 /nfs/dbraw/zinc/36/71/18/569367118.db2.gz JQAWFGOOTOGFCJ-JHJVBQTASA-N 1 0 431.318 2.791 50 0 IFAARO COc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc1I ZINC000095444727 569367184 /nfs/dbraw/zinc/36/71/84/569367184.db2.gz JQAWFGOOTOGFCJ-RWMBFGLXSA-N 1 0 431.318 2.791 50 0 IFAARO Cc1cc([C@H]([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000095462605 569370188 /nfs/dbraw/zinc/37/01/88/569370188.db2.gz OQTSXKXUHFJUBJ-DBXWQHBBSA-N 1 0 442.647 2.846 50 0 IFAARO NS(=O)(=O)c1ccc(CNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000095479827 569373832 /nfs/dbraw/zinc/37/38/32/569373832.db2.gz MEZMWUSOOAIAOO-UHFFFAOYSA-N 1 0 435.549 2.672 50 0 IFAARO C[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482551 569374446 /nfs/dbraw/zinc/37/44/46/569374446.db2.gz CMPNVSPWUSWUOX-KRWDZBQOSA-N 1 0 431.558 2.953 50 0 IFAARO COc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095995540 569378569 /nfs/dbraw/zinc/37/85/69/569378569.db2.gz KCPRRVLWHNIZOH-IAGOWNOFSA-N 1 0 441.594 2.599 50 0 IFAARO COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)C=C2 ZINC000096232303 569387752 /nfs/dbraw/zinc/38/77/52/569387752.db2.gz IIBJVVOQJNKEOB-UHFFFAOYSA-N 1 0 449.551 2.840 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc21 ZINC000002942994 569426810 /nfs/dbraw/zinc/42/68/10/569426810.db2.gz BHMICYNVLYLXHX-MRXNPFEDSA-N 1 0 436.512 2.617 50 0 IFAARO O=C(CC1CCCC1)NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000056965550 569428640 /nfs/dbraw/zinc/42/86/40/569428640.db2.gz VCMAYUPFKKCEGL-UHFFFAOYSA-N 1 0 447.587 2.845 50 0 IFAARO CC1CC[NH+](Cc2ccc(CNC(=O)CN(C)S(=O)(=O)c3cccs3)cc2)CC1 ZINC000029342348 569429708 /nfs/dbraw/zinc/42/97/08/569429708.db2.gz WOBKHNHDVPBAHS-UHFFFAOYSA-N 1 0 435.615 2.917 50 0 IFAARO CCOC(=O)CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)CC1CC1 ZINC000058134359 569448360 /nfs/dbraw/zinc/44/83/60/569448360.db2.gz VRNJTEDLFLMKQP-UHFFFAOYSA-N 1 0 427.501 2.813 50 0 IFAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1 ZINC000058154946 569448919 /nfs/dbraw/zinc/44/89/19/569448919.db2.gz OPWQAKZKBOBBKO-ROUUACIJSA-N 1 0 426.561 2.645 50 0 IFAARO C[C@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)[NH+]1CCC(C)CC1 ZINC000058169217 569449561 /nfs/dbraw/zinc/44/95/61/569449561.db2.gz OGHTUPDXLIFVGX-OAHLLOKOSA-N 1 0 435.366 2.786 50 0 IFAARO Cn1c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)ccc1-c1ccccc1 ZINC000670457524 569458824 /nfs/dbraw/zinc/45/88/24/569458824.db2.gz QDCKBTNSKAVFMP-PYLWXJQRSA-N 1 0 426.564 2.990 50 0 IFAARO CCn1c2ccccc2n(CC(=O)N[C@@H](C)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1=O ZINC000032019908 569458922 /nfs/dbraw/zinc/45/89/22/569458922.db2.gz BARMMLVRPIPWOH-NRFANRHFSA-N 1 0 449.599 2.848 50 0 IFAARO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032369154 569461386 /nfs/dbraw/zinc/46/13/86/569461386.db2.gz FDUAKCIKOGHYFJ-SFHVURJKSA-N 1 0 429.586 2.615 50 0 IFAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(C)c1 ZINC000039976204 569482191 /nfs/dbraw/zinc/48/21/91/569482191.db2.gz ORNWIMSTRAAGHR-GOSISDBHSA-N 1 0 435.615 2.987 50 0 IFAARO CC[N@H+](CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21)Cc1ccccc1 ZINC000008911550 569484840 /nfs/dbraw/zinc/48/48/40/569484840.db2.gz GPMYIJGGORUGRT-UHFFFAOYSA-N 1 0 431.540 2.986 50 0 IFAARO COC(=O)c1sc2nc(C)nc(NC3CC[NH+](CC(=O)N4CCCC4)CC3)c2c1C ZINC000040122904 569489713 /nfs/dbraw/zinc/48/97/13/569489713.db2.gz GLTJNDWLQYDRIT-UHFFFAOYSA-N 1 0 431.562 2.593 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)C[NH+]3CCCCC3)CC2)cc1C ZINC000040157526 569494344 /nfs/dbraw/zinc/49/43/44/569494344.db2.gz DJPXCWZIFMPQSB-SFHVURJKSA-N 1 0 435.634 2.942 50 0 IFAARO Cn1c2ccc(NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2nc1C(F)(F)F ZINC000040287684 569498313 /nfs/dbraw/zinc/49/83/13/569498313.db2.gz YTMLUXWPEYOXGY-UHFFFAOYSA-N 1 0 425.455 2.956 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)CC1 ZINC000009227378 569513414 /nfs/dbraw/zinc/51/34/14/569513414.db2.gz CQEKNXXSFUYGFL-UHFFFAOYSA-N 1 0 443.523 2.829 50 0 IFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 ZINC000009255682 569516663 /nfs/dbraw/zinc/51/66/63/569516663.db2.gz QOHQKCSHCJHGCN-UHFFFAOYSA-N 1 0 439.541 2.597 50 0 IFAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000009266222 569517430 /nfs/dbraw/zinc/51/74/30/569517430.db2.gz DAOJFFLKJUBXET-PBWVOLNLSA-N 1 0 425.485 2.504 50 0 IFAARO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069966819 569525913 /nfs/dbraw/zinc/52/59/13/569525913.db2.gz UEKMAPAVPFPRIY-UHFFFAOYSA-N 1 0 430.434 2.821 50 0 IFAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000009578070 569548261 /nfs/dbraw/zinc/54/82/61/569548261.db2.gz AZMCQKQGDNOEMV-QGZVFWFLSA-N 1 0 437.562 2.557 50 0 IFAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009619093 569553346 /nfs/dbraw/zinc/55/33/46/569553346.db2.gz SHQHLFDZTXSQBQ-UHFFFAOYSA-N 1 0 449.617 2.626 50 0 IFAARO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000009619460 569553409 /nfs/dbraw/zinc/55/34/09/569553409.db2.gz SOWFAYDYJAUDDB-RXVVDRJESA-N 1 0 434.540 2.622 50 0 IFAARO COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000009621996 569553504 /nfs/dbraw/zinc/55/35/04/569553504.db2.gz KGSWBTZWGADCNT-UHFFFAOYSA-N 1 0 426.517 2.686 50 0 IFAARO O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009690545 569560970 /nfs/dbraw/zinc/56/09/70/569560970.db2.gz KLKKOOGDZZJMQM-UHFFFAOYSA-N 1 0 426.605 2.749 50 0 IFAARO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000009723395 569563580 /nfs/dbraw/zinc/56/35/80/569563580.db2.gz TYCUCMYWALTASJ-ZWKOTPCHSA-N 1 0 445.608 2.707 50 0 IFAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3nc4ccccc4s3)nc1=O)CCC2 ZINC000009745372 569565667 /nfs/dbraw/zinc/56/56/67/569565667.db2.gz NGHLXRBYBOLTJX-UHFFFAOYSA-N 1 0 429.571 2.634 50 0 IFAARO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000009810826 569569064 /nfs/dbraw/zinc/56/90/64/569569064.db2.gz SLYRAZPWXHEAIH-KRWDZBQOSA-N 1 0 430.574 2.880 50 0 IFAARO CC1CC[NH+](CCCNC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1 ZINC000009860787 569571893 /nfs/dbraw/zinc/57/18/93/569571893.db2.gz SIXLJTBMPUEYKX-UHFFFAOYSA-N 1 0 433.556 2.621 50 0 IFAARO Cc1cc(CN2CCN(CC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)no1 ZINC000071810690 569581888 /nfs/dbraw/zinc/58/18/88/569581888.db2.gz CMXXHLBHZLOLKL-JOCHJYFZSA-N 1 0 445.995 2.707 50 0 IFAARO O=c1[nH]c2nc(NCCC[N@@H+]3CCc4ccccc4C3)ncc2c(=O)n1Cc1ccccc1 ZINC000077100710 569585396 /nfs/dbraw/zinc/58/53/96/569585396.db2.gz PXHVCINUMRNSLR-UHFFFAOYSA-N 1 0 442.523 2.801 50 0 IFAARO O=C(Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1)[C@H]1COc2ccccc2O1 ZINC000077200564 569586455 /nfs/dbraw/zinc/58/64/55/569586455.db2.gz NTLSGRYANHDEEC-OAQYLSRUSA-N 1 0 431.496 2.577 50 0 IFAARO CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000021776496 569587152 /nfs/dbraw/zinc/58/71/52/569587152.db2.gz MLFFMORSKHDBIE-DEOSSOPVSA-N 1 0 432.584 2.881 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000036256830 569587981 /nfs/dbraw/zinc/58/79/81/569587981.db2.gz XBALYMARXGXHFW-NZQKXSOJSA-N 1 0 432.653 2.870 50 0 IFAARO COC(=O)CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055054189 193933301 /nfs/dbraw/zinc/93/33/01/193933301.db2.gz JEGZGJXGRGZHPU-GOSISDBHSA-N 1 0 427.467 2.772 50 0 IFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(OC)cc2)CC1 ZINC000004414040 132271935 /nfs/dbraw/zinc/27/19/35/132271935.db2.gz MXFPEEHLUWEJNC-UHFFFAOYSA-N 1 0 427.501 2.641 50 0 IFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000004711679 132272969 /nfs/dbraw/zinc/27/29/69/132272969.db2.gz PSRIJNPFPWJPBP-UHFFFAOYSA-N 1 0 427.501 2.885 50 0 IFAARO CCCCOc1ccccc1N1CC[NH+](CCCN2CC(=O)N3CCCC[C@@H]3C2=O)CC1 ZINC000008399027 132281499 /nfs/dbraw/zinc/28/14/99/132281499.db2.gz DVRNXWWEJYCBOC-JOCHJYFZSA-N 1 0 442.604 2.601 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000009211275 132309227 /nfs/dbraw/zinc/30/92/27/132309227.db2.gz OIVIGAHSDYTHNN-SFHVURJKSA-N 1 0 439.608 2.760 50 0 IFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000009620749 132323815 /nfs/dbraw/zinc/32/38/15/132323815.db2.gz IJGYVGYSPHDDER-UHFFFAOYSA-N 1 0 430.556 2.652 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000009671125 132325041 /nfs/dbraw/zinc/32/50/41/132325041.db2.gz WVODNNOGZCJSMK-UHFFFAOYSA-N 1 0 444.601 2.752 50 0 IFAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000011027535 132337118 /nfs/dbraw/zinc/33/71/18/132337118.db2.gz SKOPQEBIVSOELK-UHFFFAOYSA-N 1 0 448.493 2.518 50 0 IFAARO Cc1cccn2cc(C[NH2+]C3CCN(c4ccc(C(=O)N5CCC[C@H](O)C5)cc4)CC3)nc12 ZINC000011784496 132339743 /nfs/dbraw/zinc/33/97/43/132339743.db2.gz MHXQHRIURFMTAM-DEOSSOPVSA-N 1 0 447.583 2.998 50 0 IFAARO C/C(=C\c1ccccc1)C[N@@H+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCOCC1 ZINC000012246531 518444436 /nfs/dbraw/zinc/44/44/36/518444436.db2.gz IJXJBBLXEOGSJY-OXUVQOAGSA-N 1 0 426.586 2.917 50 0 IFAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000020566956 518706335 /nfs/dbraw/zinc/70/63/35/518706335.db2.gz AQBCUPGBFSNXOC-YRKFHGTDSA-N 1 0 442.519 2.930 50 0 IFAARO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C ZINC000020531865 519520208 /nfs/dbraw/zinc/52/02/08/519520208.db2.gz KGMPXDILIMGLKO-UHFFFAOYSA-N 1 0 441.572 2.658 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019848 519858206 /nfs/dbraw/zinc/85/82/06/519858206.db2.gz ZLPLYUZIJZWAMP-UHFFFAOYSA-N 1 0 446.617 2.686 50 0 IFAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000021959946 520749720 /nfs/dbraw/zinc/74/97/20/520749720.db2.gz CQGZPJRPQIGNEL-FQEVSTJZSA-N 1 0 437.540 2.969 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)CN(c1ccccc1C)S(C)(=O)=O)Cc1ccccc1 ZINC000023197333 520832456 /nfs/dbraw/zinc/83/24/56/520832456.db2.gz BHTVAOCHTYJDMW-OAQYLSRUSA-N 1 0 431.602 2.830 50 0 IFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 ZINC000012716205 520872159 /nfs/dbraw/zinc/87/21/59/520872159.db2.gz HFTXHZCDZWRPSH-FQEVSTJZSA-N 1 0 431.577 2.649 50 0 IFAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1CO ZINC000022853620 520974894 /nfs/dbraw/zinc/97/48/94/520974894.db2.gz QGJZTMJWDPTNFN-HSZRJFAPSA-N 1 0 428.573 2.963 50 0 IFAARO CCOc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 ZINC000020998267 520980095 /nfs/dbraw/zinc/98/00/95/520980095.db2.gz AATPZUBBKDYAHJ-UHFFFAOYSA-N 1 0 425.577 2.974 50 0 IFAARO CCOC(=O)c1ccc(CNCc2ccc(OC[C@H](O)C[NH+](CC)CC)c(OC)c2)o1 ZINC000012456961 521476321 /nfs/dbraw/zinc/47/63/21/521476321.db2.gz MEKKGRKCJIZLEH-GOSISDBHSA-N 1 0 434.533 2.836 50 0 IFAARO CCOC(=O)c1n[nH]cc1CN1CCC[C@@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000022914030 521595877 /nfs/dbraw/zinc/59/58/77/521595877.db2.gz AOPOQTVHDUCSAM-LJQANCHMSA-N 1 0 430.549 2.743 50 0 IFAARO CCC(CC)[C@H](CNC(=O)Cn1c(=S)[nH]nc1-c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000012764575 521616967 /nfs/dbraw/zinc/61/69/67/521616967.db2.gz JTKAAHWOJNTCTN-IBGZPJMESA-N 1 0 447.605 2.869 50 0 IFAARO CCC[NH+](CCC)CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000020487913 521647313 /nfs/dbraw/zinc/64/73/13/521647313.db2.gz OEVOYBWKZXWPCH-UHFFFAOYSA-N 1 0 432.590 2.628 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000021915654 521683166 /nfs/dbraw/zinc/68/31/66/521683166.db2.gz NABBJPXOBSVYFD-UHFFFAOYSA-N 1 0 435.528 2.536 50 0 IFAARO CC[NH+]1CCN([C@@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097974 521692490 /nfs/dbraw/zinc/69/24/90/521692490.db2.gz CEDGPVQZKHQAHO-QFIPXVFZSA-N 1 0 431.602 2.958 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c(C)c2)CC1 ZINC000012527800 521698040 /nfs/dbraw/zinc/69/80/40/521698040.db2.gz RMKFNYZCOUZVNZ-UHFFFAOYSA-N 1 0 444.601 2.850 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000035425990 521749712 /nfs/dbraw/zinc/74/97/12/521749712.db2.gz KNARRSBSVKGFMZ-INIZCTEOSA-N 1 0 446.592 2.651 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21)c1cccs1 ZINC000012560124 522024743 /nfs/dbraw/zinc/02/47/43/522024743.db2.gz HWXGTLGDHSHWCB-KRWDZBQOSA-N 1 0 434.525 2.589 50 0 IFAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)[N@H+](CC3CCCCC3)C2)nn1 ZINC000012209403 522329914 /nfs/dbraw/zinc/32/99/14/522329914.db2.gz QNUBWERYHLTDCT-UNMCSNQZSA-N 1 0 439.560 2.619 50 0 IFAARO C[N@H+](CCCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)C1CCCCC1 ZINC000021026976 522765352 /nfs/dbraw/zinc/76/53/52/522765352.db2.gz HHACJDXAVBINFQ-KRWDZBQOSA-N 1 0 448.637 2.652 50 0 IFAARO COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)CCc2ccccn2)CCO3)CC1 ZINC000012097994 522915683 /nfs/dbraw/zinc/91/56/83/522915683.db2.gz JFWWAMZSPHLOSB-UHFFFAOYSA-N 1 0 437.540 2.820 50 0 IFAARO COCc1ccc(C(=O)N2CCC([C@H](Cc3ccccc3)N(C)C(=O)C[NH+](C)C)CC2)o1 ZINC000012217607 522946549 /nfs/dbraw/zinc/94/65/49/522946549.db2.gz NHCWCMCXLWESBW-QFIPXVFZSA-N 1 0 441.572 2.910 50 0 IFAARO CCn1c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561296 523116259 /nfs/dbraw/zinc/11/62/59/523116259.db2.gz CDLMVYHWGOKBAY-KRWDZBQOSA-N 1 0 434.606 2.763 50 0 IFAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCC1)C2 ZINC000023353990 523609236 /nfs/dbraw/zinc/60/92/36/523609236.db2.gz SUPHOPDZMCOYBY-FQEVSTJZSA-N 1 0 443.636 2.621 50 0 IFAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1n[nH]c2c1CCC2 ZINC000012445581 523687921 /nfs/dbraw/zinc/68/79/21/523687921.db2.gz HNNVNIOTUHXAHC-UHFFFAOYSA-N 1 0 426.561 2.908 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2sccc2C)CC3)cc1 ZINC000020999871 523703533 /nfs/dbraw/zinc/70/35/33/523703533.db2.gz AFXLDHYCAAHZMR-UHFFFAOYSA-N 1 0 425.558 2.687 50 0 IFAARO CN1CCN(c2nnc(-n3cccc3CN3CC[NH+](C4CCCCC4)CC3)s2)CC1 ZINC000021880786 523931720 /nfs/dbraw/zinc/93/17/20/523931720.db2.gz TXAKYWQSBIGXFG-UHFFFAOYSA-N 1 0 429.638 2.531 50 0 IFAARO COc1ccc(CC[N@H+](C)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000012915246 523939158 /nfs/dbraw/zinc/93/91/58/523939158.db2.gz UTNPEPCMRVFBKE-UHFFFAOYSA-N 1 0 438.528 2.615 50 0 IFAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+]([C@@H](C)CCn2cccn2)CC3)cc1 ZINC000014753953 523945356 /nfs/dbraw/zinc/94/53/56/523945356.db2.gz GBTOIEHPTOSXOB-IBGZPJMESA-N 1 0 439.560 2.642 50 0 IFAARO COc1ccc(CC[NH2+][C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1 ZINC000014752448 523978950 /nfs/dbraw/zinc/97/89/50/523978950.db2.gz MZNZQJXQJGNCNS-FQEVSTJZSA-N 1 0 440.588 2.710 50 0 IFAARO COc1ccc(CN(C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000012796471 524002191 /nfs/dbraw/zinc/00/21/91/524002191.db2.gz LETADDXCFIJYJK-UHFFFAOYSA-N 1 0 441.572 2.925 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32c3cccc(C)c3NC2=O)cc1 ZINC000035363890 524020268 /nfs/dbraw/zinc/02/02/68/524020268.db2.gz SWVRIMJCONVLAH-AJGMTHFWSA-N 1 0 433.508 2.580 50 0 IFAARO COc1ccc(CNC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035855849 524045456 /nfs/dbraw/zinc/04/54/56/524045456.db2.gz SCZCOHIZVQWVAV-SCPLRKQGSA-N 1 0 435.568 2.949 50 0 IFAARO COc1cccc([C@@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804918 524098930 /nfs/dbraw/zinc/09/89/30/524098930.db2.gz CWRNNFDPHSSPLM-NFBKMPQASA-N 1 0 446.617 2.795 50 0 IFAARO Cc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C ZINC000020991917 524263305 /nfs/dbraw/zinc/26/33/05/524263305.db2.gz FVXHUJMIJJSWAH-UHFFFAOYSA-N 1 0 432.572 2.906 50 0 IFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000021534202 524403953 /nfs/dbraw/zinc/40/39/53/524403953.db2.gz UBRQZLUGTYSYAF-UHFFFAOYSA-N 1 0 429.586 2.625 50 0 IFAARO COc1ccc([C@@H](CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)[NH+](C)C)cc1 ZINC000012643800 525182591 /nfs/dbraw/zinc/18/25/91/525182591.db2.gz CGNNWQSFFOJICP-HXUWFJFHSA-N 1 0 440.573 2.799 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)CC2)cc1 ZINC000012920807 525520479 /nfs/dbraw/zinc/52/04/79/525520479.db2.gz WLPQWJYMGSDWJO-JOCHJYFZSA-N 1 0 429.586 2.815 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1C ZINC000012568637 525539024 /nfs/dbraw/zinc/53/90/24/525539024.db2.gz MBUXFVHYCBDZHD-JOCHJYFZSA-N 1 0 444.601 2.622 50 0 IFAARO C[C@@]1(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)NC(=O)NC1=O ZINC000012751951 525856292 /nfs/dbraw/zinc/85/62/92/525856292.db2.gz CSXGVNCSCLYUGJ-AOMKIAJQSA-N 1 0 442.541 2.537 50 0 IFAARO C[C@@]1(CSc2ccccc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)NC(=O)NC1=O ZINC000012751935 525856994 /nfs/dbraw/zinc/85/69/94/525856994.db2.gz CSXGVNCSCLYUGJ-ZHRRBRCNSA-N 1 0 442.541 2.537 50 0 IFAARO COc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 ZINC000014742511 526038633 /nfs/dbraw/zinc/03/86/33/526038633.db2.gz PXLIOEQALSKISR-IBGZPJMESA-N 1 0 426.561 2.667 50 0 IFAARO Cc1ccc2[nH]c3c(ncn(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 ZINC000035423499 526111007 /nfs/dbraw/zinc/11/10/07/526111007.db2.gz IBPUYABCUZJSMN-UHFFFAOYSA-N 1 0 429.524 2.967 50 0 IFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 ZINC000012701347 526513976 /nfs/dbraw/zinc/51/39/76/526513976.db2.gz DLDBIPUTIOBDNE-SFHVURJKSA-N 1 0 436.512 2.587 50 0 IFAARO O=C(c1cc[n+]([O-])cc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011879783 526646466 /nfs/dbraw/zinc/64/64/66/526646466.db2.gz MXMJCGQQPRVKGI-RUZDIDTESA-N 1 0 435.568 2.821 50 0 IFAARO O=C(CCn1cncn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014971146 526685635 /nfs/dbraw/zinc/68/56/35/526685635.db2.gz UUWFCNSFLLKWGK-XMMPIXPASA-N 1 0 437.588 2.555 50 0 IFAARO O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+][C@H]3CCCCNC3=O)CC2)cc1 ZINC000012217743 526752986 /nfs/dbraw/zinc/75/29/86/526752986.db2.gz SNASRZYSYBRWBU-QHCPKHFHSA-N 1 0 438.547 2.983 50 0 IFAARO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1)Nc1cccc(F)c1 ZINC000035392797 526762056 /nfs/dbraw/zinc/76/20/56/526762056.db2.gz CIXHQNPFPAFECA-IBGZPJMESA-N 1 0 430.549 2.807 50 0 IFAARO O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000022798693 526774875 /nfs/dbraw/zinc/77/48/75/526774875.db2.gz CYSAJZJJUBWIHY-UHFFFAOYSA-N 1 0 436.556 2.767 50 0 IFAARO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000012149624 527282099 /nfs/dbraw/zinc/28/20/99/527282099.db2.gz XIFQYETUVDBVAD-UHFFFAOYSA-N 1 0 426.524 2.744 50 0 IFAARO NS(=O)(=O)c1ccc(CCNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000020730581 527308636 /nfs/dbraw/zinc/30/86/36/527308636.db2.gz HDASUEWRVILDOV-UHFFFAOYSA-N 1 0 449.576 2.714 50 0 IFAARO O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020687403 527414024 /nfs/dbraw/zinc/41/40/24/527414024.db2.gz YEUJJMNALICLFC-UHFFFAOYSA-N 1 0 430.552 2.981 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021781579 527664736 /nfs/dbraw/zinc/66/47/36/527664736.db2.gz XHVDIPJHXYKDIP-UHFFFAOYSA-N 1 0 427.524 2.674 50 0 IFAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCC(C)C ZINC000014750757 527692249 /nfs/dbraw/zinc/69/22/49/527692249.db2.gz CIIMLUWEKCVVMM-UHFFFAOYSA-N 1 0 438.576 2.969 50 0 IFAARO O=C(C[NH2+]CCO)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000003003725 555878216 /nfs/dbraw/zinc/87/82/16/555878216.db2.gz OMMHCCDLWPOHBR-UHFFFAOYSA-N 1 0 438.347 2.772 50 0 IFAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)COC ZINC000034835540 555913799 /nfs/dbraw/zinc/91/37/99/555913799.db2.gz SLFWTMUAFYCELU-UHFFFAOYSA-N 1 0 431.556 2.847 50 0 IFAARO COc1cccc(C(=O)N2[C@@H](C(=O)NC3CC[NH+](C)CC3)COC23CCC(C)CC3)c1 ZINC000034921157 555931520 /nfs/dbraw/zinc/93/15/20/555931520.db2.gz LOBOSVPKVFAUQT-SSSUMRQXSA-N 1 0 429.561 2.653 50 0 IFAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000032736317 556306372 /nfs/dbraw/zinc/30/63/72/556306372.db2.gz YHYWFUCPPFXTFS-FQEVSTJZSA-N 1 0 440.931 2.959 50 0 IFAARO COc1ccc([C@@H]2CCCN2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000032751538 556313413 /nfs/dbraw/zinc/31/34/13/556313413.db2.gz LBTXISGRIIOHPD-QFIPXVFZSA-N 1 0 445.604 2.992 50 0 IFAARO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009850820 556313911 /nfs/dbraw/zinc/31/39/11/556313911.db2.gz MKLACUBEAVGYNY-UHFFFAOYSA-N 1 0 437.584 2.926 50 0 IFAARO COc1cc(NC(=[NH2+])Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)cc(OC)c1 ZINC000009938398 556318673 /nfs/dbraw/zinc/31/86/73/556318673.db2.gz MKMSMYIXPMHOQA-UHFFFAOYSA-N 1 0 433.519 2.698 50 0 IFAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)C1 ZINC000004325454 556327593 /nfs/dbraw/zinc/32/75/93/556327593.db2.gz FYLZQLHJWXPYGZ-AWEZNQCLSA-N 1 0 431.489 2.567 50 0 IFAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[C@@H]2NC(=O)NC2=O)C2CCCC2)CC1 ZINC000011759224 556349337 /nfs/dbraw/zinc/34/93/37/556349337.db2.gz ZOJYVCSVUQBUQY-QFIPXVFZSA-N 1 0 440.588 2.619 50 0 IFAARO COc1ccccc1C[N@H+]1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000011813979 556357201 /nfs/dbraw/zinc/35/72/01/556357201.db2.gz VAQKYTNWHQZNPX-QFIPXVFZSA-N 1 0 434.544 2.867 50 0 IFAARO CCOc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)ccc1OC ZINC000011813987 556357621 /nfs/dbraw/zinc/35/76/21/556357621.db2.gz OTFGAIVWYFUFMR-LJQANCHMSA-N 1 0 442.560 2.771 50 0 IFAARO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCCCC1 ZINC000014093914 556366144 /nfs/dbraw/zinc/36/61/44/556366144.db2.gz VVROKUYHHDEKDI-UHFFFAOYSA-N 1 0 439.597 2.997 50 0 IFAARO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)n2)c(OC)c1OC ZINC000011879945 556372133 /nfs/dbraw/zinc/37/21/33/556372133.db2.gz CGHURMJGVGMYCM-QGZVFWFLSA-N 1 0 446.548 2.839 50 0 IFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 ZINC000012002612 556385981 /nfs/dbraw/zinc/38/59/81/556385981.db2.gz RCDYFHIKHKDKPV-KRWDZBQOSA-N 1 0 429.561 2.784 50 0 IFAARO CCC(CC)C[N@H+]1CCc2c(C(=O)N(C)Cc3cscn3)c(OC)cc(=O)n2CC1 ZINC000012039267 556390444 /nfs/dbraw/zinc/39/04/44/556390444.db2.gz UKFRBVMVWLLNOT-UHFFFAOYSA-N 1 0 432.590 2.880 50 0 IFAARO COc1ccc([C@@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)[NH+]2CCCCC2)cc1 ZINC000014237526 556399974 /nfs/dbraw/zinc/39/99/74/556399974.db2.gz GUNAIJWKOXFDBC-HXUWFJFHSA-N 1 0 442.560 2.593 50 0 IFAARO CCOC(=O)c1cc(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc(C(=O)OCC)c1 ZINC000022930308 556403892 /nfs/dbraw/zinc/40/38/92/556403892.db2.gz JZCHNPWGTIIDRC-OAQYLSRUSA-N 1 0 441.528 2.871 50 0 IFAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014536325 556423753 /nfs/dbraw/zinc/42/37/53/556423753.db2.gz CKXJCYXVTUYWLW-UHFFFAOYSA-N 1 0 435.572 2.842 50 0 IFAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC000014538627 556424647 /nfs/dbraw/zinc/42/46/47/556424647.db2.gz CBEVCPSRQWZHJB-UHFFFAOYSA-N 1 0 426.517 2.622 50 0 IFAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000014539944 556425285 /nfs/dbraw/zinc/42/52/85/556425285.db2.gz KCGPAVVQYADXFM-UHFFFAOYSA-N 1 0 436.512 2.672 50 0 IFAARO Cc1cccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCCC[NH+]2CCCC2)c1 ZINC000065210191 556426757 /nfs/dbraw/zinc/42/67/57/556426757.db2.gz ZVNIVLBCSGLPOF-UHFFFAOYSA-N 1 0 427.570 2.962 50 0 IFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000014682884 556432397 /nfs/dbraw/zinc/43/23/97/556432397.db2.gz PXJJKLLJSCDLOS-UHFFFAOYSA-N 1 0 425.920 2.831 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014732720 556437210 /nfs/dbraw/zinc/43/72/10/556437210.db2.gz OQPKINVPLFMZFK-QGZVFWFLSA-N 1 0 432.515 2.937 50 0 IFAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014754965 556444685 /nfs/dbraw/zinc/44/46/85/556444685.db2.gz CZGMBQHHVKUYPB-UHFFFAOYSA-N 1 0 436.512 2.672 50 0 IFAARO O=C(NCCCO)c1cn([C@H]2CCC[N@H+](CC(c3ccccc3)c3ccccc3)C2)nn1 ZINC000014887032 556455537 /nfs/dbraw/zinc/45/55/37/556455537.db2.gz GBNYCTDLONEONA-QFIPXVFZSA-N 1 0 433.556 2.859 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000014944071 556459486 /nfs/dbraw/zinc/45/94/86/556459486.db2.gz ODEGUFVMNIDHPZ-OAQYLSRUSA-N 1 0 439.487 2.751 50 0 IFAARO CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC ZINC000014961809 556464129 /nfs/dbraw/zinc/46/41/29/556464129.db2.gz JZLKGMUTGYWDRY-UHFFFAOYSA-N 1 0 434.544 2.598 50 0 IFAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000014964037 556464979 /nfs/dbraw/zinc/46/49/79/556464979.db2.gz OTOQIFZJLFQJCD-UHFFFAOYSA-N 1 0 425.483 2.516 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccsc1 ZINC000029140641 556468439 /nfs/dbraw/zinc/46/84/39/556468439.db2.gz DAXDLBLFBOMVMG-INIZCTEOSA-N 1 0 427.617 2.629 50 0 IFAARO CC(C)Oc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000014987536 556473430 /nfs/dbraw/zinc/47/34/30/556473430.db2.gz ZUDVXXJDWOIZDM-UHFFFAOYSA-N 1 0 433.556 2.983 50 0 IFAARO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000014988886 556474100 /nfs/dbraw/zinc/47/41/00/556474100.db2.gz VTPVCWLOPHFOPZ-UHFFFAOYSA-N 1 0 426.524 2.744 50 0 IFAARO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013130859 556480111 /nfs/dbraw/zinc/48/01/11/556480111.db2.gz HZTPYIISKLDEAS-UHFFFAOYSA-N 1 0 435.977 2.741 50 0 IFAARO COc1cccc(-n2c(CNC(=O)[C@H]3CCOC(C)(C)C3)nnc2SCC[NH+](C)C)c1 ZINC000015006066 556481492 /nfs/dbraw/zinc/48/14/92/556481492.db2.gz WSIWNHZUZFLPLP-INIZCTEOSA-N 1 0 447.605 2.751 50 0 IFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1COC ZINC000015005947 556481538 /nfs/dbraw/zinc/48/15/38/556481538.db2.gz XGPKDVMRKCWXDL-UHFFFAOYSA-N 1 0 426.496 2.686 50 0 IFAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015065313 556492440 /nfs/dbraw/zinc/49/24/40/556492440.db2.gz BFPLKNJTOWWPIX-QFIPXVFZSA-N 1 0 426.605 2.682 50 0 IFAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030570436 556498413 /nfs/dbraw/zinc/49/84/13/556498413.db2.gz AELJAUNYCIDSER-UHFFFAOYSA-N 1 0 445.449 2.994 50 0 IFAARO COc1cc(C[C@@H]2CC(C[NH2+]Cc3ccc4c(c3)OCO4)=NO2)c(OC)c2c1OCO2 ZINC000015085880 556502541 /nfs/dbraw/zinc/50/25/41/556502541.db2.gz ZAFCEKSELPGFSL-MRXNPFEDSA-N 1 0 428.441 2.638 50 0 IFAARO COc1ccc2c(c1)C[C@@H](NC(=O)NCCCN1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000022938121 556508199 /nfs/dbraw/zinc/50/81/99/556508199.db2.gz FMVFMZZOSINUKF-HXUWFJFHSA-N 1 0 430.593 2.638 50 0 IFAARO O=C(NCCC[N@H+](CCN1CCOCC1)Cc1cccs1)[C@@H]1COc2ccccc2C1 ZINC000022937982 556511373 /nfs/dbraw/zinc/51/13/73/556511373.db2.gz YMZNFPCGHZTFOI-NRFANRHFSA-N 1 0 443.613 2.640 50 0 IFAARO Cc1nccn1CC(=O)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265712 556523362 /nfs/dbraw/zinc/52/33/62/556523362.db2.gz YGDFBPOKSBSUJG-DEOSSOPVSA-N 1 0 429.528 2.893 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000013591963 556530084 /nfs/dbraw/zinc/53/00/84/556530084.db2.gz JKEKAYBVKOGFEB-UJXQBMMGSA-N 1 0 445.903 2.502 50 0 IFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032398906 556537833 /nfs/dbraw/zinc/53/78/33/556537833.db2.gz XDXFXGRJISBIKM-UHFFFAOYSA-N 1 0 427.570 2.649 50 0 IFAARO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000020035897 556538717 /nfs/dbraw/zinc/53/87/17/556538717.db2.gz MOUSOYJTLUGPLO-UHFFFAOYSA-N 1 0 447.535 2.986 50 0 IFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671295 556542321 /nfs/dbraw/zinc/54/23/21/556542321.db2.gz KSEZMJZHRXAQNR-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000015671253 556542349 /nfs/dbraw/zinc/54/23/49/556542349.db2.gz YKKDOQMQRRJZMZ-UHFFFAOYSA-N 1 0 429.590 2.821 50 0 IFAARO COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000015725595 556547122 /nfs/dbraw/zinc/54/71/22/556547122.db2.gz TUUYBJCVTRIGAX-XMMPIXPASA-N 1 0 446.551 2.944 50 0 IFAARO COCCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000072308503 556565231 /nfs/dbraw/zinc/56/52/31/556565231.db2.gz SQHUZJQTFZSKCA-HNNXBMFYSA-N 1 0 445.345 2.662 50 0 IFAARO CCOC(=O)C1C(CN2CC[N@H+](C)CC23CCCCC3)=NC(=O)N[C@@H]1c1ccccc1 ZINC000072308921 556568210 /nfs/dbraw/zinc/56/82/10/556568210.db2.gz GSCUQVMOUJKJRB-OAQYLSRUSA-N 1 0 426.561 2.808 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016021943 556575423 /nfs/dbraw/zinc/57/54/23/556575423.db2.gz UZPHEAGMUZZUDX-LYXWCMDISA-N 1 0 437.927 2.959 50 0 IFAARO CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000032967215 556587919 /nfs/dbraw/zinc/58/79/19/556587919.db2.gz ZULSDJCLUDATNX-FQEVSTJZSA-N 1 0 449.573 2.690 50 0 IFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000409413041 556640027 /nfs/dbraw/zinc/64/00/27/556640027.db2.gz AHHVMYRUENLJJI-WIYYLYMNSA-N 1 0 428.581 2.780 50 0 IFAARO CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000011714195 556643870 /nfs/dbraw/zinc/64/38/70/556643870.db2.gz XKOICMAHNMYMQL-IBGZPJMESA-N 1 0 430.014 2.881 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000032931217 556675108 /nfs/dbraw/zinc/67/51/08/556675108.db2.gz CMMSCIVWPAJACM-MRXNPFEDSA-N 1 0 427.998 2.976 50 0 IFAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 ZINC000032932412 556675673 /nfs/dbraw/zinc/67/56/73/556675673.db2.gz IWTXGBCKLUHFIS-UHFFFAOYSA-N 1 0 427.545 2.780 50 0 IFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1ccc(Cl)cc1 ZINC000044892321 556675825 /nfs/dbraw/zinc/67/58/25/556675825.db2.gz ZLSWIOMUVDTHHM-UHFFFAOYSA-N 1 0 437.931 2.858 50 0 IFAARO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1 ZINC000033027183 556704449 /nfs/dbraw/zinc/70/44/49/556704449.db2.gz VWXAKCFZEZWQBA-UHFFFAOYSA-N 1 0 425.514 2.661 50 0 IFAARO O=C(CN(CCc1ccccc1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000033032553 556712809 /nfs/dbraw/zinc/71/28/09/556712809.db2.gz QMECGEMDDPJVQW-UHFFFAOYSA-N 1 0 430.346 2.566 50 0 IFAARO CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033032955 556713266 /nfs/dbraw/zinc/71/32/66/556713266.db2.gz WLKIBSCVWKWRCH-UHFFFAOYSA-N 1 0 448.564 2.908 50 0 IFAARO CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033033932 556715191 /nfs/dbraw/zinc/71/51/91/556715191.db2.gz BFUQRGGBJLPZHO-OAHLLOKOSA-N 1 0 434.537 2.564 50 0 IFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000033034220 556716368 /nfs/dbraw/zinc/71/63/68/556716368.db2.gz IKORXZKBJIFLAN-UHFFFAOYSA-N 1 0 444.601 2.962 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034333 556716856 /nfs/dbraw/zinc/71/68/56/556716856.db2.gz WQGUCRFMHVSJKH-UHFFFAOYSA-N 1 0 444.601 2.845 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(C)c(C)c2)CC3)cc1 ZINC000019229172 556717780 /nfs/dbraw/zinc/71/77/80/556717780.db2.gz QRWYYWQFSMCIQR-UHFFFAOYSA-N 1 0 433.556 2.934 50 0 IFAARO O=C(CCCN1CCCCC1=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055244244 556738653 /nfs/dbraw/zinc/73/86/53/556738653.db2.gz ORKSFHVHOBXMHN-QFIPXVFZSA-N 1 0 430.568 2.731 50 0 IFAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]CCCn3nnc4ccccc43)CC2)c1 ZINC000055244649 556738668 /nfs/dbraw/zinc/73/86/68/556738668.db2.gz HQISIOYEUHZSBC-UHFFFAOYSA-N 1 0 442.589 2.842 50 0 IFAARO COc1ccc(-n2cc(CN3CC[NH+](CCC(N)=O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000019340514 556739775 /nfs/dbraw/zinc/73/97/75/556739775.db2.gz UPJFJIIPYIOXPJ-UHFFFAOYSA-N 1 0 437.519 2.680 50 0 IFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000055360424 556740744 /nfs/dbraw/zinc/74/07/44/556740744.db2.gz VRBMJVSMYKRYAQ-UHFFFAOYSA-N 1 0 440.500 2.651 50 0 IFAARO Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017870 556754262 /nfs/dbraw/zinc/75/42/62/556754262.db2.gz XCZHREQKUYQYLX-XLIONFOSSA-N 1 0 436.585 2.839 50 0 IFAARO COc1cccc([C@H](CNC(=O)Nc2cccc(-n3nnnc3SC)c2)[NH+](C)C)c1 ZINC000058086301 556757324 /nfs/dbraw/zinc/75/73/24/556757324.db2.gz BVDWZIZEMUNVPR-SFHVURJKSA-N 1 0 427.534 2.817 50 0 IFAARO C[NH+](C)C[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](O)c1ccccc1 ZINC000058146492 556761706 /nfs/dbraw/zinc/76/17/06/556761706.db2.gz XBGIHIPTYWXXSD-KXBFYZLASA-N 1 0 439.965 2.776 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3cccc(OCCn4cccn4)c3)cn2)CC1 ZINC000058167278 556766972 /nfs/dbraw/zinc/76/69/72/556766972.db2.gz LCSOCFKJKRVELM-UHFFFAOYSA-N 1 0 449.559 2.821 50 0 IFAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000058372986 556783699 /nfs/dbraw/zinc/78/36/99/556783699.db2.gz VAJHAJQPJYMCKY-MRXNPFEDSA-N 1 0 445.541 2.564 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)s2)cc1 ZINC000033061868 556817555 /nfs/dbraw/zinc/81/75/55/556817555.db2.gz OUIWPOWTFYMRIA-MRXNPFEDSA-N 1 0 445.589 2.970 50 0 IFAARO CN(c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1)S(C)(=O)=O ZINC000065362111 556834062 /nfs/dbraw/zinc/83/40/62/556834062.db2.gz TYPIYIWDOAUMQM-UHFFFAOYSA-N 1 0 436.965 2.740 50 0 IFAARO Cc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000065363154 556834792 /nfs/dbraw/zinc/83/47/92/556834792.db2.gz RUFQYECRSZIOTN-GOSISDBHSA-N 1 0 430.574 2.540 50 0 IFAARO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 ZINC000062613812 556841057 /nfs/dbraw/zinc/84/10/57/556841057.db2.gz IIRKDCHIULICBV-HSZRJFAPSA-N 1 0 447.539 2.795 50 0 IFAARO CC(C)[NH+]1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000019835836 556928058 /nfs/dbraw/zinc/92/80/58/556928058.db2.gz PPILBUQESKRWQN-XMMPIXPASA-N 1 0 429.536 2.708 50 0 IFAARO COc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1OC ZINC000072436913 556972676 /nfs/dbraw/zinc/97/26/76/556972676.db2.gz DZJWASGASDTCPC-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO CC[NH+](CC)CCN(C)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC ZINC000020166293 556993763 /nfs/dbraw/zinc/99/37/63/556993763.db2.gz AOEGHVSYCVDGOO-UHFFFAOYSA-N 1 0 428.643 2.657 50 0 IFAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020193454 556996872 /nfs/dbraw/zinc/99/68/72/556996872.db2.gz AOOASYRDZJCKBR-ZIAGYGMSSA-N 1 0 433.505 2.800 50 0 IFAARO COc1ccccc1NC(=O)CCN1CC[NH+](CCC(=O)Nc2ccccc2OC)CC1 ZINC000020266101 557004408 /nfs/dbraw/zinc/00/44/08/557004408.db2.gz KGPRHCPCQWQEFW-UHFFFAOYSA-N 1 0 440.544 2.679 50 0 IFAARO CCc1c(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000020271893 557004688 /nfs/dbraw/zinc/00/46/88/557004688.db2.gz GQZDMGUNBJXLSW-LJQANCHMSA-N 1 0 439.556 2.775 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2)c1cccnc1 ZINC000020272426 557004991 /nfs/dbraw/zinc/00/49/91/557004991.db2.gz BFSLRHFEAZJZPK-UHFFFAOYSA-N 1 0 442.523 2.964 50 0 IFAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000020290891 557005735 /nfs/dbraw/zinc/00/57/35/557005735.db2.gz SWRYJJYDYFBNFI-UHFFFAOYSA-N 1 0 428.533 2.852 50 0 IFAARO CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC(C)(C)[NH2+]1 ZINC000010818174 557029866 /nfs/dbraw/zinc/02/98/66/557029866.db2.gz HCKNNMPSZFNTHJ-UHFFFAOYSA-N 1 0 443.560 2.791 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033275446 557054347 /nfs/dbraw/zinc/05/43/47/557054347.db2.gz VHDLCEDIELADGE-UHFFFAOYSA-N 1 0 444.601 2.962 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c1 ZINC000033275408 557054548 /nfs/dbraw/zinc/05/45/48/557054548.db2.gz WIQLUIMBHTYFIA-UHFFFAOYSA-N 1 0 430.574 2.652 50 0 IFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000033278747 557060792 /nfs/dbraw/zinc/06/07/92/557060792.db2.gz VGNMDOIOEOLCQZ-UHFFFAOYSA-N 1 0 441.528 2.814 50 0 IFAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000048324948 557065677 /nfs/dbraw/zinc/06/56/77/557065677.db2.gz GRYJLPYGFYBDFQ-IAGOWNOFSA-N 1 0 448.539 2.602 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)CSc2nccnc2Sc2ccccc2C)CC1 ZINC000033289007 557066560 /nfs/dbraw/zinc/06/65/60/557066560.db2.gz VKVZPQPVLKBZJJ-UHFFFAOYSA-N 1 0 431.631 2.782 50 0 IFAARO CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1=O ZINC000048361829 557073158 /nfs/dbraw/zinc/07/31/58/557073158.db2.gz RZABDNFLVJVIAW-QZTJIDSGSA-N 1 0 428.577 2.891 50 0 IFAARO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2)c1=O ZINC000033298567 557074497 /nfs/dbraw/zinc/07/44/97/557074497.db2.gz XRMOSXIJLZPJSZ-UHFFFAOYSA-N 1 0 447.583 2.697 50 0 IFAARO Oc1ccc(CN2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cc1Cl ZINC000023360661 557087843 /nfs/dbraw/zinc/08/78/43/557087843.db2.gz CCGFSZVKSQPTHE-ISKFKSNPSA-N 1 0 429.992 2.841 50 0 IFAARO Cc1ccc2c(c1)N(C(=O)Cn1c(C)nc3c(c1=O)C[N@H+](Cc1ccccc1)CC3)CCO2 ZINC000049400811 557096329 /nfs/dbraw/zinc/09/63/29/557096329.db2.gz ZFSAQTNAZNTDJX-UHFFFAOYSA-N 1 0 444.535 2.844 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Cl ZINC000023546806 557097522 /nfs/dbraw/zinc/09/75/22/557097522.db2.gz CBDRYUGCZJDUTP-HXUWFJFHSA-N 1 0 442.947 2.933 50 0 IFAARO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)C2=O)cc1 ZINC000023737943 557112256 /nfs/dbraw/zinc/11/22/56/557112256.db2.gz TZAKCOCVUXEYLM-PXDATVDWSA-N 1 0 434.540 2.715 50 0 IFAARO CC[NH+](CC)[C@@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(OC)c1 ZINC000024948427 557182109 /nfs/dbraw/zinc/18/21/09/557182109.db2.gz SAILVXPITVTSGK-FQEVSTJZSA-N 1 0 425.485 2.568 50 0 IFAARO O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000025049281 557190981 /nfs/dbraw/zinc/19/09/81/557190981.db2.gz ARSOOJVPBUXGNR-UHFFFAOYSA-N 1 0 444.583 2.847 50 0 IFAARO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000013987358 557242330 /nfs/dbraw/zinc/24/23/30/557242330.db2.gz MHOAQGGSCVBCDP-VWLOTQADSA-N 1 0 434.584 2.944 50 0 IFAARO O=C1C[C@@H](N2CCC([NH+]3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 ZINC000100191403 557247056 /nfs/dbraw/zinc/24/70/56/557247056.db2.gz IFDYZNHAAXEGOF-HSZRJFAPSA-N 1 0 436.531 2.744 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C(C)C)c1 ZINC000027676158 557271338 /nfs/dbraw/zinc/27/13/38/557271338.db2.gz FUTDVGCLRMYCNB-QUCCMNQESA-N 1 0 433.574 2.939 50 0 IFAARO CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1 ZINC000033034012 557321637 /nfs/dbraw/zinc/32/16/37/557321637.db2.gz GNRPVCHAJGPVMV-KRWDZBQOSA-N 1 0 430.574 2.734 50 0 IFAARO O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000222107669 557333739 /nfs/dbraw/zinc/33/37/39/557333739.db2.gz BCZWGPYRCXINJL-MOPGFXCFSA-N 1 0 435.446 2.981 50 0 IFAARO CCNC(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000037525237 557347391 /nfs/dbraw/zinc/34/73/91/557347391.db2.gz ALXBSZHCULCDEI-UHFFFAOYSA-N 1 0 427.593 2.675 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1 ZINC000023907619 557379013 /nfs/dbraw/zinc/37/90/13/557379013.db2.gz VCJAOUSUQJPNED-GOSISDBHSA-N 1 0 433.555 2.852 50 0 IFAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(C)C(=O)[C@H]12 ZINC000103010912 557415413 /nfs/dbraw/zinc/41/54/13/557415413.db2.gz CCJUYJPNWLJZOB-ONFVETCGSA-N 1 0 435.499 2.817 50 0 IFAARO Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]3C)CC2)c1 ZINC000107534121 557536499 /nfs/dbraw/zinc/53/64/99/557536499.db2.gz CNXCVJQZDWAQGF-WOJBJXKFSA-N 1 0 430.593 2.879 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000109037596 557545311 /nfs/dbraw/zinc/54/53/11/557545311.db2.gz VDHBIFFCUGKQIW-OJLQRUNKSA-N 1 0 426.561 2.501 50 0 IFAARO CC(C)Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974353 557556426 /nfs/dbraw/zinc/55/64/26/557556426.db2.gz QJALXEMQRFELDI-UHFFFAOYSA-N 1 0 443.613 2.550 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974666 557556631 /nfs/dbraw/zinc/55/66/31/557556631.db2.gz MHBUDUFWBQYZPJ-UHFFFAOYSA-N 1 0 443.613 2.667 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670351 557850212 /nfs/dbraw/zinc/85/02/12/557850212.db2.gz NRGAEGNALZRINI-QFIPXVFZSA-N 1 0 430.455 2.764 50 0 IFAARO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000003359462 562934762 /nfs/dbraw/zinc/93/47/62/562934762.db2.gz KFLVJPKNHSCIEK-JOCHJYFZSA-N 1 0 445.585 2.903 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004003864 562940695 /nfs/dbraw/zinc/94/06/95/562940695.db2.gz PBEDSCNJJLEVCT-GOSISDBHSA-N 1 0 434.540 2.537 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCC[NH+]3CCCCCC3)c(O)c2c1 ZINC000008762848 562963963 /nfs/dbraw/zinc/96/39/63/562963963.db2.gz JGLNVYZABVCVBP-UHFFFAOYSA-N 1 0 448.589 2.577 50 0 IFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O ZINC000009727619 562976181 /nfs/dbraw/zinc/97/61/81/562976181.db2.gz WWRJPMQLYVQMSK-HXUWFJFHSA-N 1 0 436.560 2.637 50 0 IFAARO Cn1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nc2sc3c(c2c1=O)CCC3 ZINC000012951065 562983632 /nfs/dbraw/zinc/98/36/32/562983632.db2.gz IQXVPCMPQCYJEL-MRXNPFEDSA-N 1 0 442.610 2.995 50 0 IFAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000023373514 568613604 /nfs/dbraw/zinc/61/36/04/568613604.db2.gz MMJNFGBDIGEEEV-OAQYLSRUSA-N 1 0 430.593 2.903 50 0 IFAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299762057 568755906 /nfs/dbraw/zinc/75/59/06/568755906.db2.gz RALZBRCSGHYPSD-GJZUVCINSA-N 1 0 448.567 2.611 50 0 IFAARO CCOC(=O)N1CCC([NH2+]C2CCN(c3cccc(NS(=O)(=O)CC)c3)CC2)CC1 ZINC000299785900 568757550 /nfs/dbraw/zinc/75/75/50/568757550.db2.gz OZGMVBQZXQSGHY-UHFFFAOYSA-N 1 0 438.594 2.628 50 0 IFAARO COCc1c(C(=O)N(C)CC[NH+](C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299794100 568757751 /nfs/dbraw/zinc/75/77/51/568757751.db2.gz JABCVBVDVMYUQO-UHFFFAOYSA-N 1 0 434.544 2.598 50 0 IFAARO O=C1CO[C@H](CNc2ncccc2C(F)(F)F)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299802709 568758191 /nfs/dbraw/zinc/75/81/91/568758191.db2.gz VXOFSWMJSLRSDK-QGZVFWFLSA-N 1 0 426.483 2.862 50 0 IFAARO COc1cccc(-c2cc3n(n2)[C@@H](NCCC[N@@H+]2CCc4ccccc4C2)CNC3=O)c1 ZINC000263615647 568776156 /nfs/dbraw/zinc/77/61/56/568776156.db2.gz DKHDZFBTKLPXKU-XMMPIXPASA-N 1 0 431.540 2.839 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974641 568783878 /nfs/dbraw/zinc/78/38/78/568783878.db2.gz ILOQAFWJEQPONQ-UHFFFAOYSA-N 1 0 443.613 2.667 50 0 IFAARO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)c(C)c12 ZINC000084005161 568789713 /nfs/dbraw/zinc/78/97/13/568789713.db2.gz VESRJDBCLVKZKO-IBGZPJMESA-N 1 0 427.593 2.782 50 0 IFAARO NC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000015731435 568814842 /nfs/dbraw/zinc/81/48/42/568814842.db2.gz RMJBBKZVRBWQCK-UHFFFAOYSA-N 1 0 427.979 2.691 50 0 IFAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000015773396 568823147 /nfs/dbraw/zinc/82/31/47/568823147.db2.gz RGMFRVGKUTYQNW-VWLOTQADSA-N 1 0 434.584 2.910 50 0 IFAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000015864110 568849473 /nfs/dbraw/zinc/84/94/73/568849473.db2.gz GDWCYOBHFXPIMW-UHFFFAOYSA-N 1 0 435.446 2.788 50 0 IFAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000015864303 568849771 /nfs/dbraw/zinc/84/97/71/568849771.db2.gz GERQEKMQXCHVKO-UHFFFAOYSA-N 1 0 443.613 2.816 50 0 IFAARO CSCC[C@H]1[NH2+][C@]2(c3ccc(C)c(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015956614 568859917 /nfs/dbraw/zinc/85/99/17/568859917.db2.gz HZUZNQSIBXXFOD-PRHHBONVSA-N 1 0 427.570 2.720 50 0 IFAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000015958654 568860293 /nfs/dbraw/zinc/86/02/93/568860293.db2.gz NIYSKYYDTNLVOT-PRHHBONVSA-N 1 0 427.570 2.665 50 0 IFAARO CSCC[C@H]1[NH2+][C@]2(c3cc(C)cc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015958448 568860354 /nfs/dbraw/zinc/86/03/54/568860354.db2.gz KIYSKRKTROCGKB-PRHHBONVSA-N 1 0 427.570 2.720 50 0 IFAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32c3cccc(C)c3NC2=O)cc1 ZINC000015968852 568861444 /nfs/dbraw/zinc/86/14/44/568861444.db2.gz SWVRIMJCONVLAH-KSYXXAMZSA-N 1 0 433.508 2.580 50 0 IFAARO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000016032804 568867648 /nfs/dbraw/zinc/86/76/48/568867648.db2.gz MFRHGBHGAZKUNM-VKDGWMQASA-N 1 0 435.549 2.927 50 0 IFAARO CCOCCC[NH2+]CC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC ZINC000006205121 568880333 /nfs/dbraw/zinc/88/03/33/568880333.db2.gz FQLACMFEMRIRAY-UHFFFAOYSA-N 1 0 427.567 2.670 50 0 IFAARO CN(C)[C@@H](CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1csc2ccccc21 ZINC000575622144 568883251 /nfs/dbraw/zinc/88/32/51/568883251.db2.gz WNRQEPPSJOXKMB-KRWDZBQOSA-N 1 0 431.539 2.927 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000583652714 568889456 /nfs/dbraw/zinc/88/94/56/568889456.db2.gz RBJPGCBXVMWHJB-UGKGYDQZSA-N 1 0 426.561 2.526 50 0 IFAARO CCC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000012982310 568894662 /nfs/dbraw/zinc/89/46/62/568894662.db2.gz WUDZWJKEPCKKNT-UHFFFAOYSA-N 1 0 433.549 2.571 50 0 IFAARO O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000064333773 568909460 /nfs/dbraw/zinc/90/94/60/568909460.db2.gz NCGINRPOVKSRRE-UHFFFAOYSA-N 1 0 428.577 2.891 50 0 IFAARO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000241965610 568912612 /nfs/dbraw/zinc/91/26/12/568912612.db2.gz UUILXXJBTPJLBS-HOTGVXAUSA-N 1 0 425.348 2.834 50 0 IFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000245329484 568915357 /nfs/dbraw/zinc/91/53/57/568915357.db2.gz ZNMFUECAVDMKNF-AVJFOWIRSA-N 1 0 441.462 2.993 50 0 IFAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000248383292 568919233 /nfs/dbraw/zinc/91/92/33/568919233.db2.gz ZSEGZJLUJNPPPJ-UWHHFBIGSA-N 1 0 429.476 2.629 50 0 IFAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000248375264 568919307 /nfs/dbraw/zinc/91/93/07/568919307.db2.gz APUXMZSGHJUBPT-UECWXEIQSA-N 1 0 449.894 2.974 50 0 IFAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)CC1 ZINC000064567202 568933384 /nfs/dbraw/zinc/93/33/84/568933384.db2.gz DMOWVZUVPRVZRH-UHFFFAOYSA-N 1 0 438.572 2.589 50 0 IFAARO Cc1cc(C[NH+](C)C)cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000089585364 568938745 /nfs/dbraw/zinc/93/87/45/568938745.db2.gz GSZPGQXPSIRMMK-UHFFFAOYSA-N 1 0 445.585 2.649 50 0 IFAARO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000064611673 568941570 /nfs/dbraw/zinc/94/15/70/568941570.db2.gz XLVIVHJGOOQJQC-QGZVFWFLSA-N 1 0 439.585 2.936 50 0 IFAARO Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCC[NH+]1CCCCC1)c2=O ZINC000064842088 568970606 /nfs/dbraw/zinc/97/06/06/568970606.db2.gz RHKJDDJPFHESNW-UHFFFAOYSA-N 1 0 429.908 2.615 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000064847086 568972174 /nfs/dbraw/zinc/97/21/74/568972174.db2.gz XUNFVYKEYPBNQU-UHFFFAOYSA-N 1 0 435.657 2.665 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036254960 568984846 /nfs/dbraw/zinc/98/48/46/568984846.db2.gz MXVWPLYGKGKYQY-QHCPKHFHSA-N 1 0 444.595 2.744 50 0 IFAARO Cc1cccc(C(=O)N2CCN([C@@H](C(=O)NCC[NH+]3CCCCC3)C3CCCC3)CC2)c1 ZINC000036255101 568985037 /nfs/dbraw/zinc/98/50/37/568985037.db2.gz QROQNEUPWYNWEY-XMMPIXPASA-N 1 0 440.632 2.914 50 0 IFAARO Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)NCC[NH+]3CCCCC3)c2=O)c1 ZINC000169681254 568992895 /nfs/dbraw/zinc/99/28/95/568992895.db2.gz WLVYMZQJTLMKBD-UHFFFAOYSA-N 1 0 425.533 2.711 50 0 IFAARO CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036311003 568996839 /nfs/dbraw/zinc/99/68/39/568996839.db2.gz VUVHDOWSAMSQCW-JOCHJYFZSA-N 1 0 429.609 2.853 50 0 IFAARO COc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CC[NH+](C)CC4)s3)no2)cc1 ZINC000065062892 569097430 /nfs/dbraw/zinc/09/74/30/569097430.db2.gz XRODHWLFFNEXGL-UHFFFAOYSA-N 1 0 441.557 2.841 50 0 IFAARO Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000065074666 569099025 /nfs/dbraw/zinc/09/90/25/569099025.db2.gz UPOIGXRIBCJDQK-UHFFFAOYSA-N 1 0 426.586 2.618 50 0 IFAARO Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCC[NH+]1CCCCC1)C(=O)CS2 ZINC000006917385 569108658 /nfs/dbraw/zinc/10/86/58/569108658.db2.gz IQNVSPQWLIMQPS-UHFFFAOYSA-N 1 0 427.574 2.612 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)NCc1cccc(C)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153592 569112055 /nfs/dbraw/zinc/11/20/55/569112055.db2.gz MBOSQXKQGZRNKM-UHFFFAOYSA-N 1 0 430.552 2.989 50 0 IFAARO CCn1c(-c2cccc(C(=O)N3CCN(C4CC[NH+](C)CC4)CC3)c2)nc2cccnc21 ZINC000065172710 569113270 /nfs/dbraw/zinc/11/32/70/569113270.db2.gz XRSMUQILQQZVTK-UHFFFAOYSA-N 1 0 432.572 2.970 50 0 IFAARO CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N3CC[NH+](CC(C)C)CC3)C2)no1 ZINC000065227760 569117503 /nfs/dbraw/zinc/11/75/03/569117503.db2.gz GBJHUAKAJDNPTF-GOSISDBHSA-N 1 0 426.565 2.711 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036594928 569121381 /nfs/dbraw/zinc/12/13/81/569121381.db2.gz MMCQWVLEAZAZPW-NVXWUHKLSA-N 1 0 425.558 2.806 50 0 IFAARO O=C(c1ccco1)N1CCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000065254952 569122890 /nfs/dbraw/zinc/12/28/90/569122890.db2.gz HZDBYZJICYKSCN-UHFFFAOYSA-N 1 0 435.528 2.713 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000065523672 569139125 /nfs/dbraw/zinc/13/91/25/569139125.db2.gz LBTOHCAZJOVZOC-UHFFFAOYSA-N 1 0 446.555 2.625 50 0 IFAARO CCOCCO[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000170608596 569144858 /nfs/dbraw/zinc/14/48/58/569144858.db2.gz XKNYOWAZJFBOPO-HNNXBMFYSA-N 1 0 428.371 2.577 50 0 IFAARO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520639 569159173 /nfs/dbraw/zinc/15/91/73/569159173.db2.gz VHAWZGWFULTXBK-NRFANRHFSA-N 1 0 425.533 2.723 50 0 IFAARO C[N@H+](CCNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C1CC1 ZINC000089662701 569160974 /nfs/dbraw/zinc/16/09/74/569160974.db2.gz KUNPLUFNQGFDTL-NRFANRHFSA-N 1 0 441.576 2.578 50 0 IFAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000089895901 569166779 /nfs/dbraw/zinc/16/67/79/569166779.db2.gz FPRXXWSABVUMEK-NQIIRXRSSA-N 1 0 443.613 2.640 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CCC(NC(=O)c2ccsc2)CC1)c1ccco1 ZINC000089967784 569169080 /nfs/dbraw/zinc/16/90/80/569169080.db2.gz ZPMPRVIVAKMKEW-IBGZPJMESA-N 1 0 432.590 2.735 50 0 IFAARO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(N(C)C)cc(C)[nH+]2)CC1 ZINC000017012646 569170671 /nfs/dbraw/zinc/17/06/71/569170671.db2.gz NCOFDHDIKAGSNY-UHFFFAOYSA-N 1 0 447.605 2.668 50 0 IFAARO COc1cccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1OC ZINC000017012514 569170700 /nfs/dbraw/zinc/17/07/00/569170700.db2.gz INZKAQBBCXLWSH-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000017012570 569170711 /nfs/dbraw/zinc/17/07/11/569170711.db2.gz RCJZLQARRUDJHB-UHFFFAOYSA-N 1 0 435.450 2.603 50 0 IFAARO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2=O)cc1 ZINC000252510532 569188643 /nfs/dbraw/zinc/18/86/43/569188643.db2.gz ZMXUHZICUKVDSH-YKSBVNFPSA-N 1 0 426.561 2.675 50 0 IFAARO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000195529601 569204210 /nfs/dbraw/zinc/20/42/10/569204210.db2.gz PWWXWLXKEPTERH-QGZVFWFLSA-N 1 0 431.643 2.918 50 0 IFAARO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]3C[N@@H+]3CCC[C@H]3CO)c2c1C ZINC000252676223 569210383 /nfs/dbraw/zinc/21/03/83/569210383.db2.gz WKNMYJDJDRXGTD-MOPGFXCFSA-N 1 0 445.633 2.566 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)[NH2+][C@@]12C(=O)Nc1ccc(C)cc12 ZINC000253488170 569283160 /nfs/dbraw/zinc/28/31/60/569283160.db2.gz YSPQCOHYEDVYBI-ORXGQKIWSA-N 1 0 429.904 2.802 50 0 IFAARO CCCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013039943 569307974 /nfs/dbraw/zinc/30/79/74/569307974.db2.gz SEOPAXHXXMAGCR-OAHLLOKOSA-N 1 0 449.983 2.912 50 0 IFAARO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013039942 569308028 /nfs/dbraw/zinc/30/80/28/569308028.db2.gz SEOPAXHXXMAGCR-HNNXBMFYSA-N 1 0 449.983 2.912 50 0 IFAARO COC1CC[NH+](CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1 ZINC000079026222 569323006 /nfs/dbraw/zinc/32/30/06/569323006.db2.gz WVYGSJVUZQMWBD-UHFFFAOYSA-N 1 0 449.548 2.776 50 0 IFAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)c4cc[nH+]cc43)cc2)C1 ZINC000079055355 569323604 /nfs/dbraw/zinc/32/36/04/569323604.db2.gz WOSSBBBOFWDVRX-CALCHBBNSA-N 1 0 428.558 2.845 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)CC1 ZINC000020237846 569357508 /nfs/dbraw/zinc/35/75/08/569357508.db2.gz UWCWMHBEJMLFML-UHFFFAOYSA-N 1 0 426.586 2.901 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000095100963 569358138 /nfs/dbraw/zinc/35/81/38/569358138.db2.gz SXLVYXORHYMBFQ-QHCPKHFHSA-N 1 0 434.540 2.676 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417346 569364936 /nfs/dbraw/zinc/36/49/36/569364936.db2.gz SCKICWVDUFHROW-FQEVSTJZSA-N 1 0 439.535 2.603 50 0 IFAARO CN1C(=O)C[C@H](C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000095441795 569366731 /nfs/dbraw/zinc/36/67/31/569366731.db2.gz LQQQNNHDHNHXBN-PZJWPPBQSA-N 1 0 433.980 2.820 50 0 IFAARO Cc1cc(O)c(I)cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000095446137 569367259 /nfs/dbraw/zinc/36/72/59/569367259.db2.gz DLMNOOZSXDGZAM-UHFFFAOYSA-N 1 0 430.330 2.849 50 0 IFAARO C[NH+](C)CCOc1cc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000095448403 569367604 /nfs/dbraw/zinc/36/76/04/569367604.db2.gz ICJFSNROCMZAIY-KRWDZBQOSA-N 1 0 447.333 2.776 50 0 IFAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(CCN3CC[NH+](C)CC3)c2)c1 ZINC000095458024 569369077 /nfs/dbraw/zinc/36/90/77/569369077.db2.gz OWAVZCXUHAFVNK-UHFFFAOYSA-N 1 0 437.544 2.646 50 0 IFAARO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466514 569370946 /nfs/dbraw/zinc/37/09/46/569370946.db2.gz FXRJAIMDHMSBDZ-FPOVZHCZSA-N 1 0 427.570 2.640 50 0 IFAARO COc1cn(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C[NH+]2CCCCCC2)cc1=O ZINC000095478806 569373688 /nfs/dbraw/zinc/37/36/88/569373688.db2.gz OBSJYWLMOXDQOQ-HSZRJFAPSA-N 1 0 439.556 2.833 50 0 IFAARO COc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000095995542 569378631 /nfs/dbraw/zinc/37/86/31/569378631.db2.gz KCPRRVLWHNIZOH-SJORKVTESA-N 1 0 441.594 2.599 50 0 IFAARO O=C(N[C@H](CCO)c1ccccc1Br)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000096006456 569379366 /nfs/dbraw/zinc/37/93/66/569379366.db2.gz XOAGCLLUADNHDZ-LJQANCHMSA-N 1 0 435.366 2.985 50 0 IFAARO CC(C)C[NH+]1CCN(C(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)CC1 ZINC000096399505 569400074 /nfs/dbraw/zinc/40/00/74/569400074.db2.gz RRFMCXYBSDKUHV-UHFFFAOYSA-N 1 0 442.632 2.560 50 0 IFAARO CCc1nc2c(s1)c(C)nn(CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000096400085 569400213 /nfs/dbraw/zinc/40/02/13/569400213.db2.gz RFOUEEVQTKESBG-UHFFFAOYSA-N 1 0 425.558 2.505 50 0 IFAARO COc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c(OC)c1 ZINC000299754371 569409096 /nfs/dbraw/zinc/40/90/96/569409096.db2.gz DWVWVAORASEINR-GGPKGHCWSA-N 1 0 429.561 2.780 50 0 IFAARO COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c(OC)c1 ZINC000299754372 569409109 /nfs/dbraw/zinc/40/91/09/569409109.db2.gz DWVWVAORASEINR-NSHGMRRFSA-N 1 0 429.561 2.780 50 0 IFAARO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H](C)[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000230032343 569418202 /nfs/dbraw/zinc/41/82/02/569418202.db2.gz WFTCTBMYTZPMNR-ZIFCJYIRSA-N 1 0 433.597 2.563 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000057110947 569429608 /nfs/dbraw/zinc/42/96/08/569429608.db2.gz WWVKMMNZJNDWBR-YRMIPTGESA-N 1 0 445.903 2.502 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1 ZINC000058154943 569448894 /nfs/dbraw/zinc/44/88/94/569448894.db2.gz OPWQAKZKBOBBKO-HDICACEKSA-N 1 0 426.561 2.645 50 0 IFAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1 ZINC000058158437 569449093 /nfs/dbraw/zinc/44/90/93/569449093.db2.gz LWEMRBHIYNYVRX-UHFFFAOYSA-N 1 0 445.585 2.757 50 0 IFAARO COc1cccc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4nccs4)CC3)CC2)c1 ZINC000217593960 569449662 /nfs/dbraw/zinc/44/96/62/569449662.db2.gz AHFWHEVEJVUKIQ-UHFFFAOYSA-N 1 0 437.587 2.848 50 0 IFAARO O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620431 569456899 /nfs/dbraw/zinc/45/68/99/569456899.db2.gz QLGKUZXWCHKPHV-UHFFFAOYSA-N 1 0 426.542 2.740 50 0 IFAARO Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCC[NH+]3CCCCC3)n2)cc1 ZINC000031813929 569457926 /nfs/dbraw/zinc/45/79/26/569457926.db2.gz WZAIYJSGJBPDJL-UHFFFAOYSA-N 1 0 438.484 2.793 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)ccc1-n1cnnn1 ZINC000032095626 569459863 /nfs/dbraw/zinc/45/98/63/569459863.db2.gz FBXMUPRMYAMEKT-UHFFFAOYSA-N 1 0 441.333 2.819 50 0 IFAARO CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C[NH+](C)C)c1-c1ccccc1 ZINC000008815570 569476708 /nfs/dbraw/zinc/47/67/08/569476708.db2.gz DNVJIRTVKIGXGK-UHFFFAOYSA-N 1 0 431.558 2.924 50 0 IFAARO CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)S(=O)(=O)c1cccs1 ZINC000039969266 569482109 /nfs/dbraw/zinc/48/21/09/569482109.db2.gz XCTQIYQEULTMKM-QGZVFWFLSA-N 1 0 442.006 2.975 50 0 IFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000040023966 569482720 /nfs/dbraw/zinc/48/27/20/569482720.db2.gz KJZMXBIPLCQKAM-CYBMUJFWSA-N 1 0 428.327 2.699 50 0 IFAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 ZINC000040108517 569488521 /nfs/dbraw/zinc/48/85/21/569488521.db2.gz NXLLZXYJLGXTAX-PMACEKPBSA-N 1 0 426.561 2.810 50 0 IFAARO CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000040113346 569488994 /nfs/dbraw/zinc/48/89/94/569488994.db2.gz XFMXDEDALWGDNP-HXUWFJFHSA-N 1 0 448.633 2.912 50 0 IFAARO C[N@@H+]1CCN(CCNC(=O)c2nc(N3CCCCC3)ncc2Cl)[C@H](c2ccccc2)C1 ZINC000040154157 569493739 /nfs/dbraw/zinc/49/37/39/569493739.db2.gz VHEZNOCSVZFTEW-FQEVSTJZSA-N 1 0 442.995 2.839 50 0 IFAARO Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)c12 ZINC000040158523 569494613 /nfs/dbraw/zinc/49/46/13/569494613.db2.gz TYAXECILEGWVGA-UHFFFAOYSA-N 1 0 441.576 2.965 50 0 IFAARO Cc1cccnc1-n1c(=O)c2c3c(sc2n(CCC[NH+](C)C)c1=O)COC(C)(C)C3 ZINC000009060690 569499506 /nfs/dbraw/zinc/49/95/06/569499506.db2.gz FGVRWXPVUZIECW-UHFFFAOYSA-N 1 0 428.558 2.720 50 0 IFAARO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCCc1c[nH]c2ccccc12 ZINC000009076820 569500342 /nfs/dbraw/zinc/50/03/42/569500342.db2.gz JFEAECKPGRKQLH-UHFFFAOYSA-N 1 0 448.523 2.906 50 0 IFAARO C[C@@H]1Oc2ccccc2N(CCC(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)C1=O ZINC000069380033 569503609 /nfs/dbraw/zinc/50/36/09/569503609.db2.gz QKVREXIEZUCDHT-INIZCTEOSA-N 1 0 433.512 2.852 50 0 IFAARO COc1ccc([C@H](CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)[NH+](C)C)cc1 ZINC000009127388 569505161 /nfs/dbraw/zinc/50/51/61/569505161.db2.gz CGNNWQSFFOJICP-FQEVSTJZSA-N 1 0 440.573 2.799 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009218164 569512381 /nfs/dbraw/zinc/51/23/81/569512381.db2.gz DCBKPOFJRAWKQJ-QGZVFWFLSA-N 1 0 437.587 2.695 50 0 IFAARO COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(CC[NH+](C)C)c2)c1 ZINC000009244376 569514999 /nfs/dbraw/zinc/51/49/99/569514999.db2.gz SSCHAAJPONCOGE-UHFFFAOYSA-N 1 0 432.480 2.898 50 0 IFAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)COC)CC1 ZINC000009265376 569517403 /nfs/dbraw/zinc/51/74/03/569517403.db2.gz JVEPMDNMZZNCCZ-UHFFFAOYSA-N 1 0 431.533 2.981 50 0 IFAARO COC(=O)c1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009430110 569533867 /nfs/dbraw/zinc/53/38/67/569533867.db2.gz BDJWLPHUBNYJOT-FQEVSTJZSA-N 1 0 436.464 2.695 50 0 IFAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCO3 ZINC000009604055 569551847 /nfs/dbraw/zinc/55/18/47/569551847.db2.gz DFVFNXFYXFCMDL-SFHVURJKSA-N 1 0 427.482 2.760 50 0 IFAARO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000009619454 569553403 /nfs/dbraw/zinc/55/34/03/569553403.db2.gz SOWFAYDYJAUDDB-GHTZIAJQSA-N 1 0 434.540 2.622 50 0 IFAARO CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C)C3)s2)on1 ZINC000009689017 569560870 /nfs/dbraw/zinc/56/08/70/569560870.db2.gz ITQUYRPVZWBNNB-AWEZNQCLSA-N 1 0 441.575 2.980 50 0 IFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009712536 569562291 /nfs/dbraw/zinc/56/22/91/569562291.db2.gz PGVHSSVKGIIOTN-FQEVSTJZSA-N 1 0 443.525 2.918 50 0 IFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009712537 569562299 /nfs/dbraw/zinc/56/22/99/569562299.db2.gz PGVHSSVKGIIOTN-HXUWFJFHSA-N 1 0 443.525 2.918 50 0 IFAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(OC)cc3)nc1=O)CCC2 ZINC000009745453 569565670 /nfs/dbraw/zinc/56/56/70/569565670.db2.gz PAQVPAHNDIZBJR-UHFFFAOYSA-N 1 0 430.574 2.813 50 0 IFAARO CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)c1 ZINC000009745885 569565736 /nfs/dbraw/zinc/56/57/36/569565736.db2.gz KYMXSPVIXRTSLX-UHFFFAOYSA-N 1 0 428.558 2.617 50 0 IFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cc(OC)ccc2OC)N(CC[NH+](C)C)C1=O ZINC000010233192 569579510 /nfs/dbraw/zinc/57/95/10/569579510.db2.gz BLNTZTVEQARMEB-OAQYLSRUSA-N 1 0 438.480 2.926 50 0 IFAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cc(OC)ccc2OC)N(CC[NH+](C)C)C1=O ZINC000010233193 569579519 /nfs/dbraw/zinc/57/95/19/569579519.db2.gz BLNTZTVEQARMEB-NRFANRHFSA-N 1 0 438.480 2.926 50 0 IFAARO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000071842124 569582221 /nfs/dbraw/zinc/58/22/21/569582221.db2.gz HWSQTBDIFYDHFB-HLAWJBBLSA-N 1 0 426.586 2.829 50 0 IFAARO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000071846690 569582387 /nfs/dbraw/zinc/58/23/87/569582387.db2.gz ZNNLDEHASYSKCL-BJLQDIEVSA-N 1 0 434.631 2.900 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000105000602 569587040 /nfs/dbraw/zinc/58/70/40/569587040.db2.gz XBALYMARXGXHFW-OFNKIYASSA-N 1 0 432.653 2.870 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C2CCCC2)c1 ZINC000009644202 132234427 /nfs/dbraw/zinc/23/44/27/132234427.db2.gz QSUCLMSROGGIMU-UHFFFAOYSA-N 1 0 436.622 2.988 50 0 IFAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008607651 132287392 /nfs/dbraw/zinc/28/73/92/132287392.db2.gz BTBWIZCYJLNZRK-QHCPKHFHSA-N 1 0 438.547 2.822 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000008661111 132289298 /nfs/dbraw/zinc/28/92/98/132289298.db2.gz HUSYJKPYFMYEPF-RCDICMHDSA-N 1 0 430.455 2.763 50 0 IFAARO Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c(C)c1 ZINC000009157059 132307142 /nfs/dbraw/zinc/30/71/42/132307142.db2.gz PFQXHFQTGRNYSK-UHFFFAOYSA-N 1 0 436.560 2.541 50 0 IFAARO CCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000009433848 132317313 /nfs/dbraw/zinc/31/73/13/132317313.db2.gz KQTDZLSZZWTFNU-UHFFFAOYSA-N 1 0 437.573 2.707 50 0 IFAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012766919 519798512 /nfs/dbraw/zinc/79/85/12/519798512.db2.gz AQHSPADVOWVUIT-HXUWFJFHSA-N 1 0 429.952 2.880 50 0 IFAARO CCC[NH+]1CCN(C(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)CC1 ZINC000021527816 519857164 /nfs/dbraw/zinc/85/71/64/519857164.db2.gz PMJVRWQHXOXERV-UHFFFAOYSA-N 1 0 429.524 2.865 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(CN3CCCn4nc(C)cc43)cc2)CC1 ZINC000020995967 519858217 /nfs/dbraw/zinc/85/82/17/519858217.db2.gz MZUFNBVSYGPYSK-UHFFFAOYSA-N 1 0 438.620 2.749 50 0 IFAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccc(OC)cc3)o2)CC1 ZINC000020515021 519858308 /nfs/dbraw/zinc/85/83/08/519858308.db2.gz GBOSHHSQNHEWCB-WJOKGBTCSA-N 1 0 447.601 2.744 50 0 IFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559101 520511535 /nfs/dbraw/zinc/51/15/35/520511535.db2.gz MYOHWRUVDAWMAA-FQEVSTJZSA-N 1 0 432.590 2.870 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559053 520513783 /nfs/dbraw/zinc/51/37/83/520513783.db2.gz YJHHOAKZHMEMSH-HXUWFJFHSA-N 1 0 432.590 2.870 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559055 520515500 /nfs/dbraw/zinc/51/55/00/520515500.db2.gz YJHHOAKZHMEMSH-FQEVSTJZSA-N 1 0 432.590 2.870 50 0 IFAARO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+](CC)CC)C3)ccc21 ZINC000021937900 520615589 /nfs/dbraw/zinc/61/55/89/520615589.db2.gz AAPHDWYZMBGBRH-HXUWFJFHSA-N 1 0 448.633 2.910 50 0 IFAARO CCOc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC ZINC000020906230 520698934 /nfs/dbraw/zinc/69/89/34/520698934.db2.gz HBRGXOJXNGBYBE-MRXNPFEDSA-N 1 0 439.516 2.828 50 0 IFAARO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)CC)c1 ZINC000058183233 520754632 /nfs/dbraw/zinc/75/46/32/520754632.db2.gz PPMVFEMMWLYHKG-HSZRJFAPSA-N 1 0 443.613 2.921 50 0 IFAARO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)n(C)c1 ZINC000012857729 520780162 /nfs/dbraw/zinc/78/01/62/520780162.db2.gz LVFVKAPDQHPDMG-UHFFFAOYSA-N 1 0 432.590 2.581 50 0 IFAARO CCOC(=O)N1CCC([NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccncc3)CC2)CC1 ZINC000012242763 520922993 /nfs/dbraw/zinc/92/29/93/520922993.db2.gz JRBBJZSLVVKTFO-OAQYLSRUSA-N 1 0 428.577 2.853 50 0 IFAARO CCOc1ccc(N2C(=O)c3ccccc3/C(=C/NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000021841877 521041329 /nfs/dbraw/zinc/04/13/29/521041329.db2.gz MTRQKDGJRSCENN-NKFKGCMQSA-N 1 0 435.524 2.925 50 0 IFAARO CCN(CC[NH+](C)C)C(=O)[C@@H]1Cc2nc(NC(=O)c3cccc(F)c3)sc2C(=O)C1 ZINC000012282920 521043094 /nfs/dbraw/zinc/04/30/94/521043094.db2.gz RGLDPCZVCALOCU-CQSZACIVSA-N 1 0 432.521 2.690 50 0 IFAARO CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)NCC[N@@H+]2CCc4ccccc4C2)C3)CC1 ZINC000065289569 521051528 /nfs/dbraw/zinc/05/15/28/521051528.db2.gz OQHKJXDGNALLOO-OAQYLSRUSA-N 1 0 433.600 2.992 50 0 IFAARO CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000014520400 521460726 /nfs/dbraw/zinc/46/07/26/521460726.db2.gz YBSWUVNSBKLPKM-QFIPXVFZSA-N 1 0 439.560 2.625 50 0 IFAARO CCOC(=O)c1n[nH]cc1CN(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012302194 521596223 /nfs/dbraw/zinc/59/62/23/521596223.db2.gz QNQATVBXBUPPFG-IBGZPJMESA-N 1 0 440.588 2.914 50 0 IFAARO CCOC(=O)c1nc2onc(C)c2c(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000021646158 521600381 /nfs/dbraw/zinc/60/03/81/521600381.db2.gz SPYHJEIYOOXQQO-UHFFFAOYSA-N 1 0 442.495 2.866 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C ZINC000012129874 521639845 /nfs/dbraw/zinc/63/98/45/521639845.db2.gz IVFNOSMQLKUSJY-LJQANCHMSA-N 1 0 446.555 2.959 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000012299533 521654914 /nfs/dbraw/zinc/65/49/14/521654914.db2.gz QTMPBEBNCWOPFQ-FQEVSTJZSA-N 1 0 425.577 2.876 50 0 IFAARO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 ZINC000033032265 521784615 /nfs/dbraw/zinc/78/46/15/521784615.db2.gz WDWBBZRXTIIHFE-UHFFFAOYSA-N 1 0 443.504 2.800 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000012922772 522013001 /nfs/dbraw/zinc/01/30/01/522013001.db2.gz AMPYGDDROPIKRH-JOCHJYFZSA-N 1 0 443.613 2.693 50 0 IFAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014747031 522598395 /nfs/dbraw/zinc/59/83/95/522598395.db2.gz MGKDKRXIEXDZKB-FQEVSTJZSA-N 1 0 436.556 2.958 50 0 IFAARO COC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012836918 522694294 /nfs/dbraw/zinc/69/42/94/522694294.db2.gz QLQANPYXJIXHLC-XMMPIXPASA-N 1 0 435.568 2.646 50 0 IFAARO COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)c2cc(C(C)C)n[nH]2)CCO3)CC1 ZINC000012240435 522916491 /nfs/dbraw/zinc/91/64/91/522916491.db2.gz JPCLFRMSCTVEEV-UHFFFAOYSA-N 1 0 440.544 2.953 50 0 IFAARO COCc1ccc(C(=O)N2CCC([C@@H](Cc3ccccc3)N(C)C(=O)C[NH+](C)C)CC2)o1 ZINC000012217606 522944928 /nfs/dbraw/zinc/94/49/28/522944928.db2.gz NHCWCMCXLWESBW-JOCHJYFZSA-N 1 0 441.572 2.910 50 0 IFAARO COc1ccc(-c2ccc(=O)n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000044889739 523129767 /nfs/dbraw/zinc/12/97/67/523129767.db2.gz GPWCUQMLQSTZFY-UHFFFAOYSA-N 1 0 432.524 2.700 50 0 IFAARO CC[C@@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012582296 523139022 /nfs/dbraw/zinc/13/90/22/523139022.db2.gz SMIPUCMLHCVXAY-OAQYLSRUSA-N 1 0 429.561 2.832 50 0 IFAARO CN(Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)[C@H]1CCOC1 ZINC000012434153 523150591 /nfs/dbraw/zinc/15/05/91/523150591.db2.gz BGNVXCYPKXXZCG-FQEVSTJZSA-N 1 0 425.577 2.646 50 0 IFAARO COCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c2)s1 ZINC000033027608 523250948 /nfs/dbraw/zinc/25/09/48/523250948.db2.gz XRNPMZWRVUWRJL-HNNXBMFYSA-N 1 0 431.562 2.789 50 0 IFAARO COCCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035911152 523362828 /nfs/dbraw/zinc/36/28/28/523362828.db2.gz WKZUHOYJWDCEEH-LADGPHEKSA-N 1 0 441.547 2.850 50 0 IFAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@@H](C)c2ccccc2)CC3)cc1 ZINC000012279627 523703152 /nfs/dbraw/zinc/70/31/52/523703152.db2.gz ZSOZCULSQJMEMD-LJQANCHMSA-N 1 0 433.556 2.921 50 0 IFAARO COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000012281403 523805241 /nfs/dbraw/zinc/80/52/41/523805241.db2.gz WDIDHJBLBAXKCO-DEOSSOPVSA-N 1 0 431.577 2.933 50 0 IFAARO COCC[NH+]1CCC(CN(C)Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 ZINC000012432911 523812320 /nfs/dbraw/zinc/81/23/20/523812320.db2.gz GPLGPXMZLBMRSL-UHFFFAOYSA-N 1 0 440.654 2.657 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)CC1 ZINC000012194573 523927198 /nfs/dbraw/zinc/92/71/98/523927198.db2.gz MBQJPISOKYAYKY-UHFFFAOYSA-N 1 0 428.558 2.621 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1C ZINC000020599664 524040124 /nfs/dbraw/zinc/04/01/24/524040124.db2.gz YVSFJZWPHOHEOD-LJQANCHMSA-N 1 0 429.565 2.885 50 0 IFAARO C[C@H](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)[NH+]1CCCC1 ZINC000035423437 524191870 /nfs/dbraw/zinc/19/18/70/524191870.db2.gz IPDNBQSZJDUUDU-QGZVFWFLSA-N 1 0 433.512 2.895 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c(C)c1 ZINC000021534273 524313727 /nfs/dbraw/zinc/31/37/27/524313727.db2.gz TYEAGRSBJSLEOJ-UHFFFAOYSA-N 1 0 447.576 2.764 50 0 IFAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NS(C)(=O)=O)ccc4n3C)CC2)cc1 ZINC000020518634 524964552 /nfs/dbraw/zinc/96/45/52/524964552.db2.gz VHSNEFAPIRVJOK-UHFFFAOYSA-N 1 0 427.574 2.618 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012542108 525077124 /nfs/dbraw/zinc/07/71/24/525077124.db2.gz RYCMMHGGTXDHQE-UHFFFAOYSA-N 1 0 442.585 2.784 50 0 IFAARO C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012619227 525175265 /nfs/dbraw/zinc/17/52/65/525175265.db2.gz YMIARIYMSZAXIZ-OFAXGOBFSA-N 1 0 431.540 2.611 50 0 IFAARO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000012632532 525359026 /nfs/dbraw/zinc/35/90/26/525359026.db2.gz LAZQTUPTICGIOO-NRFANRHFSA-N 1 0 431.558 2.512 50 0 IFAARO Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)c(C)c1C(=O)OC(C)C ZINC000035422160 525410041 /nfs/dbraw/zinc/41/00/41/525410041.db2.gz NYUJEGOJIJAGTJ-LJQANCHMSA-N 1 0 446.592 2.651 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000012809508 525518909 /nfs/dbraw/zinc/51/89/09/525518909.db2.gz PIOANVXAHAEHFE-QFIPXVFZSA-N 1 0 429.586 2.815 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020519195 525557622 /nfs/dbraw/zinc/55/76/22/525557622.db2.gz TYLRUVIEZBZHEU-KGWSRGFLSA-N 1 0 433.961 2.756 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020517962 525558576 /nfs/dbraw/zinc/55/85/76/525558576.db2.gz MMUQSQNTUYTBPE-GRXQJBFDSA-N 1 0 433.961 2.756 50 0 IFAARO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012919329 525561678 /nfs/dbraw/zinc/56/16/78/525561678.db2.gz AIDJXDWPOCVYKQ-UHFFFAOYSA-N 1 0 427.570 2.830 50 0 IFAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796385 525761440 /nfs/dbraw/zinc/76/14/40/525761440.db2.gz OJQBSPJOLJFGJT-HXUWFJFHSA-N 1 0 432.927 2.831 50 0 IFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCc4nnc(C)[nH]4)C3)C2)c1OC ZINC000012303535 525940909 /nfs/dbraw/zinc/94/09/09/525940909.db2.gz RFBHNBPFMGMYGX-QHCPKHFHSA-N 1 0 427.549 2.578 50 0 IFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2)c1ccoc1 ZINC000020448761 526465205 /nfs/dbraw/zinc/46/52/05/526465205.db2.gz YAFKPXPCDATEOI-UHFFFAOYSA-N 1 0 433.434 2.921 50 0 IFAARO O=C(CCN(CCc1ccccc1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000035421680 526475494 /nfs/dbraw/zinc/47/54/94/526475494.db2.gz CTQBLNHAEIYAAC-UHFFFAOYSA-N 1 0 444.373 2.956 50 0 IFAARO O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022226167 526479122 /nfs/dbraw/zinc/47/91/22/526479122.db2.gz FHUXBIRLWVYPNH-UHFFFAOYSA-N 1 0 434.540 2.739 50 0 IFAARO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011933363 526582195 /nfs/dbraw/zinc/58/21/95/526582195.db2.gz RSDNVJPXOIQMOT-LJQANCHMSA-N 1 0 448.567 2.866 50 0 IFAARO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1)Nc1cccc(F)c1 ZINC000035392794 526761263 /nfs/dbraw/zinc/76/12/63/526761263.db2.gz CIXHQNPFPAFECA-LJQANCHMSA-N 1 0 430.549 2.807 50 0 IFAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015727727 526794596 /nfs/dbraw/zinc/79/45/96/526794596.db2.gz QZRZKXWFYDVGCS-UHFFFAOYSA-N 1 0 435.528 2.762 50 0 IFAARO O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000022619378 526858283 /nfs/dbraw/zinc/85/82/83/526858283.db2.gz BOCNKJBTDFRUFA-SFHVURJKSA-N 1 0 429.904 2.752 50 0 IFAARO Cc1nc(CN2CCN(Cc3ccccc3OC[C@@H](O)C[NH+]3CCCCC3)CC2)cs1 ZINC000020995349 526865772 /nfs/dbraw/zinc/86/57/72/526865772.db2.gz FTAINSZJEXFFJS-QHCPKHFHSA-N 1 0 444.645 2.995 50 0 IFAARO O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012314007 527062579 /nfs/dbraw/zinc/06/25/79/527062579.db2.gz RQXOKBKZZRFBOP-NRFANRHFSA-N 1 0 442.581 2.689 50 0 IFAARO O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012916668 527092653 /nfs/dbraw/zinc/09/26/53/527092653.db2.gz DSXYBALTWODLID-KRWDZBQOSA-N 1 0 428.949 2.799 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1 ZINC000077100505 527533849 /nfs/dbraw/zinc/53/38/49/527533849.db2.gz FKMNACNRKOSQJH-UHFFFAOYSA-N 1 0 441.333 2.819 50 0 IFAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000020734350 527631392 /nfs/dbraw/zinc/63/13/92/527631392.db2.gz GTLPQQTUEUCULQ-UHFFFAOYSA-N 1 0 447.587 2.759 50 0 IFAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936165 535517134 /nfs/dbraw/zinc/51/71/34/535517134.db2.gz CUVYIXCDMMEDJY-GOSISDBHSA-N 1 0 427.597 2.617 50 0 IFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000009670167 536424340 /nfs/dbraw/zinc/42/43/40/536424340.db2.gz OUJNXAYISVTGLO-JOCHJYFZSA-N 1 0 442.585 2.620 50 0 IFAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)o1 ZINC000001179463 555671186 /nfs/dbraw/zinc/67/11/86/555671186.db2.gz MMWNVBFWQDHFMJ-UHFFFAOYSA-N 1 0 425.529 2.873 50 0 IFAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000002198526 555757180 /nfs/dbraw/zinc/75/71/80/555757180.db2.gz PNVIMXXNKKGLES-FQEVSTJZSA-N 1 0 438.480 2.926 50 0 IFAARO COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2ccccc2)cc2ccccc21 ZINC000002522628 555785738 /nfs/dbraw/zinc/78/57/38/555785738.db2.gz YXDSWEZHWDTWLL-FQEVSTJZSA-N 1 0 433.512 2.849 50 0 IFAARO C[NH+](C)CCNC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc21 ZINC000034838345 555914477 /nfs/dbraw/zinc/91/44/77/555914477.db2.gz IOXRXSHDNXONDN-UHFFFAOYSA-N 1 0 438.963 2.901 50 0 IFAARO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000034863167 555925159 /nfs/dbraw/zinc/92/51/59/555925159.db2.gz FXDPPCSSWMCCOC-QFIPXVFZSA-N 1 0 439.537 2.855 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670164 555945431 /nfs/dbraw/zinc/94/54/31/555945431.db2.gz HUSYJKPYFMYEPF-JLCFBVMHSA-N 1 0 430.455 2.763 50 0 IFAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccc(F)cc1Cl ZINC000009194472 556254554 /nfs/dbraw/zinc/25/45/54/556254554.db2.gz COPVTRMJYRWDAQ-UHFFFAOYSA-N 1 0 449.870 2.552 50 0 IFAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000032736316 556305894 /nfs/dbraw/zinc/30/58/94/556305894.db2.gz YHYWFUCPPFXTFS-HXUWFJFHSA-N 1 0 440.931 2.959 50 0 IFAARO O=C(CCNS(=O)(=O)c1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781173 556347651 /nfs/dbraw/zinc/34/76/51/556347651.db2.gz RHGUWEJORFWLCB-UHFFFAOYSA-N 1 0 435.977 2.789 50 0 IFAARO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 ZINC000011813628 556357219 /nfs/dbraw/zinc/35/72/19/556357219.db2.gz VLRRUWPEHSIUNS-HNNXBMFYSA-N 1 0 448.974 2.648 50 0 IFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014084274 556363989 /nfs/dbraw/zinc/36/39/89/556363989.db2.gz HITZRSODGAMSMN-QFIPXVFZSA-N 1 0 445.560 2.891 50 0 IFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014084272 556364058 /nfs/dbraw/zinc/36/40/58/556364058.db2.gz HITZRSODGAMSMN-JOCHJYFZSA-N 1 0 445.560 2.891 50 0 IFAARO COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CC[N@H+](CCC(C)C)CC3)c1 ZINC000011868328 556368555 /nfs/dbraw/zinc/36/85/55/556368555.db2.gz GJGSLICZSSGKTQ-UHFFFAOYSA-N 1 0 427.545 2.700 50 0 IFAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000011882331 556373667 /nfs/dbraw/zinc/37/36/67/556373667.db2.gz QMTYMBCWQGKURV-INIZCTEOSA-N 1 0 440.573 2.674 50 0 IFAARO CCCCN(C(=O)C[N@H+](Cc1ccccc1)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014129413 556374491 /nfs/dbraw/zinc/37/44/91/556374491.db2.gz VXIXVLPIAZCYSM-UHFFFAOYSA-N 1 0 443.592 2.819 50 0 IFAARO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000011911060 556375304 /nfs/dbraw/zinc/37/53/04/556375304.db2.gz VYBBGHHOWFENTF-OALUTQOASA-N 1 0 425.573 2.943 50 0 IFAARO O=C(CCn1cncn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012029569 556388507 /nfs/dbraw/zinc/38/85/07/556388507.db2.gz BLHYRVIJYHXIJD-NRFANRHFSA-N 1 0 429.540 2.727 50 0 IFAARO O=C(CCn1cncn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012029573 556388607 /nfs/dbraw/zinc/38/86/07/556388607.db2.gz BLHYRVIJYHXIJD-OAQYLSRUSA-N 1 0 429.540 2.727 50 0 IFAARO O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022930042 556403562 /nfs/dbraw/zinc/40/35/62/556403562.db2.gz IAHYMBCICRECRE-OAQYLSRUSA-N 1 0 449.624 2.805 50 0 IFAARO CC(C)[C@H](C)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000032825566 556410883 /nfs/dbraw/zinc/41/08/83/556410883.db2.gz UVDSHMDKLUTVHW-INIZCTEOSA-N 1 0 427.998 2.682 50 0 IFAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014531728 556420657 /nfs/dbraw/zinc/42/06/57/556420657.db2.gz VTJAJUXWSNXGSK-UHFFFAOYSA-N 1 0 425.533 2.556 50 0 IFAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000014534548 556422578 /nfs/dbraw/zinc/42/25/78/556422578.db2.gz UFIPTVYDOOFBNL-UHFFFAOYSA-N 1 0 441.553 2.763 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC000014536983 556423721 /nfs/dbraw/zinc/42/37/21/556423721.db2.gz BDXOUJCTLYYZHN-SFHVURJKSA-N 1 0 432.515 2.937 50 0 IFAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014538317 556424344 /nfs/dbraw/zinc/42/43/44/556424344.db2.gz DCBWURWTCFEVHQ-FQEVSTJZSA-N 1 0 436.556 2.958 50 0 IFAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000014538350 556424406 /nfs/dbraw/zinc/42/44/06/556424406.db2.gz CGIAJZLXKMGQBY-UHFFFAOYSA-N 1 0 441.528 2.776 50 0 IFAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H](C)CSC)CC2 ZINC000014540046 556425313 /nfs/dbraw/zinc/42/53/13/556425313.db2.gz OAWUTYLKJFKPKS-QGZVFWFLSA-N 1 0 431.602 2.651 50 0 IFAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014732520 556437157 /nfs/dbraw/zinc/43/71/57/556437157.db2.gz BGQPQCRPNJCPKA-UHFFFAOYSA-N 1 0 449.551 2.805 50 0 IFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733526 556437901 /nfs/dbraw/zinc/43/79/01/556437901.db2.gz BBNQKFREYRNHNM-ZVDOUQERSA-N 1 0 443.636 2.570 50 0 IFAARO COc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 ZINC000014742510 556439477 /nfs/dbraw/zinc/43/94/77/556439477.db2.gz PXLIOEQALSKISR-LJQANCHMSA-N 1 0 426.561 2.667 50 0 IFAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014747030 556441658 /nfs/dbraw/zinc/44/16/58/556441658.db2.gz MGKDKRXIEXDZKB-HXUWFJFHSA-N 1 0 436.556 2.958 50 0 IFAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014750260 556443352 /nfs/dbraw/zinc/44/33/52/556443352.db2.gz NDLSJJNUQPWFIJ-UHFFFAOYSA-N 1 0 439.560 2.564 50 0 IFAARO Cc1cc(C(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000013095286 556456231 /nfs/dbraw/zinc/45/62/31/556456231.db2.gz RQWULUOKLMKSFB-IYBDPMFKSA-N 1 0 449.555 2.896 50 0 IFAARO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1 ZINC000013096464 556457320 /nfs/dbraw/zinc/45/73/20/556457320.db2.gz FBRIVQXFKBCLNB-BBWFWOEESA-N 1 0 449.548 2.913 50 0 IFAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)CCC(=O)OC)CC2)c(Cl)c1 ZINC000014960758 556463819 /nfs/dbraw/zinc/46/38/19/556463819.db2.gz CFTWYYRCGWWZHT-OAHLLOKOSA-N 1 0 426.941 2.901 50 0 IFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000014978421 556469643 /nfs/dbraw/zinc/46/96/43/556469643.db2.gz WKBKZFFMNSTCKU-SFHVURJKSA-N 1 0 429.561 2.689 50 0 IFAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000014994002 556476459 /nfs/dbraw/zinc/47/64/59/556476459.db2.gz XZUALWMXSCTHPY-IBGZPJMESA-N 1 0 431.606 2.908 50 0 IFAARO COc1ccc(CCN2C[C@H](C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2=O)cc1OC ZINC000013130955 556480189 /nfs/dbraw/zinc/48/01/89/556480189.db2.gz NBHBYWWKRXIEAH-NHCUHLMSSA-N 1 0 439.556 2.514 50 0 IFAARO COCc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000015005435 556481449 /nfs/dbraw/zinc/48/14/49/556481449.db2.gz WTIBLZPARAXBID-UHFFFAOYSA-N 1 0 440.523 2.932 50 0 IFAARO Cc1cc(C)nc(N2CCC([NH2+][C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 ZINC000015021544 556488151 /nfs/dbraw/zinc/48/81/51/556488151.db2.gz ZGFHWTSDBWACSU-SFHVURJKSA-N 1 0 431.899 2.776 50 0 IFAARO COc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(OC)c1OC ZINC000030000159 556488952 /nfs/dbraw/zinc/48/89/52/556488952.db2.gz FHJZYMWNCRBJJR-HXUWFJFHSA-N 1 0 427.545 2.821 50 0 IFAARO COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000015068347 556494225 /nfs/dbraw/zinc/49/42/25/556494225.db2.gz MDIWMVPLZSOJSW-QHCPKHFHSA-N 1 0 439.556 2.787 50 0 IFAARO COc1ccc2c(c1)C[C@@H](NC(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000022938112 556508217 /nfs/dbraw/zinc/50/82/17/556508217.db2.gz JANOWEXRSMGTKM-JOCHJYFZSA-N 1 0 438.572 2.506 50 0 IFAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000015319317 556519803 /nfs/dbraw/zinc/51/98/03/556519803.db2.gz CCJUYJPNWLJZOB-HOSCZWGSSA-N 1 0 435.499 2.817 50 0 IFAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032899243 556527035 /nfs/dbraw/zinc/52/70/35/556527035.db2.gz UOWBTIDFDKETCX-CALCHBBNSA-N 1 0 449.548 2.856 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000015671282 556542105 /nfs/dbraw/zinc/54/21/05/556542105.db2.gz HLYOWIWSNHAYAZ-UHFFFAOYSA-N 1 0 429.590 2.903 50 0 IFAARO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000015671291 556542305 /nfs/dbraw/zinc/54/23/05/556542305.db2.gz FBNXOMLJPZNLGP-UHFFFAOYSA-N 1 0 445.589 2.603 50 0 IFAARO Cc1nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671296 556542659 /nfs/dbraw/zinc/54/26/59/556542659.db2.gz JNKNZVMNZNYZJJ-UHFFFAOYSA-N 1 0 435.981 2.940 50 0 IFAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000072308607 556565256 /nfs/dbraw/zinc/56/52/56/556565256.db2.gz IWPATACMEMXVCF-IBGZPJMESA-N 1 0 447.583 2.944 50 0 IFAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016021193 556575050 /nfs/dbraw/zinc/57/50/50/556575050.db2.gz CAJIAIMMSHCSFM-KGYLXKDPSA-N 1 0 425.435 2.541 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1ccc(C)c2C ZINC000016022077 556575391 /nfs/dbraw/zinc/57/53/91/556575391.db2.gz XFGCKMHBTHYXGS-DWXBWDGESA-N 1 0 447.535 2.771 50 0 IFAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(N4c5ccccc5C[C@H]4C)n3)c(C)n2)CC1 ZINC000036235758 556595089 /nfs/dbraw/zinc/59/50/89/556595089.db2.gz ARQFRNKRDZQOQA-MRXNPFEDSA-N 1 0 431.544 2.760 50 0 IFAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Cn3c4ccccc4nc(C)c3=O)CC2)c1 ZINC000032974634 556595733 /nfs/dbraw/zinc/59/57/33/556595733.db2.gz PEZWCEPVMVRVSD-UHFFFAOYSA-N 1 0 447.583 2.650 50 0 IFAARO C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)O3)CC1 ZINC000032983904 556602636 /nfs/dbraw/zinc/60/26/36/556602636.db2.gz XYELSVIFKVLKMY-RCCKNPSSSA-N 1 0 440.931 2.689 50 0 IFAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)CCn1cnc2ccccc21 ZINC000032916446 556615226 /nfs/dbraw/zinc/61/52/26/556615226.db2.gz VSVNISWNLDCUEX-HXUWFJFHSA-N 1 0 441.601 2.557 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCCOc2ccccc2)cc1 ZINC000016695782 556628869 /nfs/dbraw/zinc/62/88/69/556628869.db2.gz RGEOALJWWKBPNY-SFHVURJKSA-N 1 0 433.574 2.563 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000409413332 556640708 /nfs/dbraw/zinc/64/07/08/556640708.db2.gz IBJUFGNQYYAZML-RJGXRXQPSA-N 1 0 427.589 2.775 50 0 IFAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]C[C@@H](O)c4ccccc4)cc3)cc2n(C)c1=O ZINC000040722018 556648060 /nfs/dbraw/zinc/64/80/60/556648060.db2.gz MBHLQFCSGCUVLA-RPBOFIJWSA-N 1 0 447.535 2.813 50 0 IFAARO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CSc3nc4ccccc4n(C)c3=O)C2)cc1 ZINC000033006687 556655563 /nfs/dbraw/zinc/65/55/63/556655563.db2.gz MZMFYMAUHOOKNF-LJQANCHMSA-N 1 0 436.581 2.972 50 0 IFAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(OC(F)F)cc3)cc2)CC1 ZINC000011950811 556676226 /nfs/dbraw/zinc/67/62/26/556676226.db2.gz NIIQACHXSXVONX-UHFFFAOYSA-N 1 0 432.471 2.798 50 0 IFAARO CC1CC[NH+](C2(CNC(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CCCCC2)CC1 ZINC000011998628 556679682 /nfs/dbraw/zinc/67/96/82/556679682.db2.gz YUFJNFISDNBDFE-UHFFFAOYSA-N 1 0 447.601 2.918 50 0 IFAARO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]3C[N@@H+]3CCC[C@@H]3CO)c2c1C ZINC000072313865 556694500 /nfs/dbraw/zinc/69/45/00/556694500.db2.gz WKNMYJDJDRXGTD-RTBURBONSA-N 1 0 445.633 2.566 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)CC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034006 556715140 /nfs/dbraw/zinc/71/51/40/556715140.db2.gz BRHXYUODMUSROZ-KRWDZBQOSA-N 1 0 444.601 2.988 50 0 IFAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000033034148 556715934 /nfs/dbraw/zinc/71/59/34/556715934.db2.gz ZMMUCCHKWZHGRS-UHFFFAOYSA-N 1 0 442.585 2.526 50 0 IFAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1 ZINC000033034215 556716290 /nfs/dbraw/zinc/71/62/90/556716290.db2.gz BEBFIWHXPOMRBI-UHFFFAOYSA-N 1 0 430.574 2.599 50 0 IFAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)[NH+]2CCCC2)cc1 ZINC000061719471 556726325 /nfs/dbraw/zinc/72/63/25/556726325.db2.gz MIYPIQCENXNIPP-NRFANRHFSA-N 1 0 449.511 2.945 50 0 IFAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCC5(CC4)OCCO5)c(C)c32)CC1 ZINC000033048389 556744680 /nfs/dbraw/zinc/74/46/80/556744680.db2.gz CMMXJJOADXZBNU-UHFFFAOYSA-N 1 0 445.589 2.511 50 0 IFAARO Cc1nc2ccccn2c1CN1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019362523 556745676 /nfs/dbraw/zinc/74/56/76/556745676.db2.gz YXOAOMNSJQMIOX-OAQYLSRUSA-N 1 0 428.964 2.991 50 0 IFAARO O=C(CCCNC(=O)C1CC1)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000060366420 556748107 /nfs/dbraw/zinc/74/81/07/556748107.db2.gz IKXGYXJGQOJCGK-UHFFFAOYSA-N 1 0 435.572 2.691 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)c1ccco1 ZINC000058006297 556752620 /nfs/dbraw/zinc/75/26/20/556752620.db2.gz NMFXLRNENXECPG-KRWDZBQOSA-N 1 0 435.546 2.542 50 0 IFAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c2C1 ZINC000062007129 556765320 /nfs/dbraw/zinc/76/53/20/556765320.db2.gz KUDTVEUDUWQFAX-UHFFFAOYSA-N 1 0 448.523 2.944 50 0 IFAARO CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166280 556766573 /nfs/dbraw/zinc/76/65/73/556766573.db2.gz BWKPGIDAJORUFY-ZJSXRUAMSA-N 1 0 443.636 2.629 50 0 IFAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000058217917 556772802 /nfs/dbraw/zinc/77/28/02/556772802.db2.gz IQGKCDGTAKALJZ-GOSISDBHSA-N 1 0 428.558 2.673 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000058377675 556783733 /nfs/dbraw/zinc/78/37/33/556783733.db2.gz IMMWMISTYZLZMZ-LJQANCHMSA-N 1 0 430.549 2.692 50 0 IFAARO CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000059118167 556794750 /nfs/dbraw/zinc/79/47/50/556794750.db2.gz JTRGCSOUBGRZIE-UHFFFAOYSA-N 1 0 442.626 2.519 50 0 IFAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000033061855 556817461 /nfs/dbraw/zinc/81/74/61/556817461.db2.gz MIMGDAKLFYYBBE-UHFFFAOYSA-N 1 0 431.562 2.724 50 0 IFAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064800226 556827273 /nfs/dbraw/zinc/82/72/73/556827273.db2.gz CYQAOWUKIZEROV-UHFFFAOYSA-N 1 0 434.903 2.768 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000005603828 556829434 /nfs/dbraw/zinc/82/94/34/556829434.db2.gz HNHKOPQEENFDJK-UHFFFAOYSA-N 1 0 427.570 2.866 50 0 IFAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065362460 556834218 /nfs/dbraw/zinc/83/42/18/556834218.db2.gz FYQJXQIWUWLBLP-UHFFFAOYSA-N 1 0 437.516 2.564 50 0 IFAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c(C)c1C ZINC000065362782 556834605 /nfs/dbraw/zinc/83/46/05/556834605.db2.gz BLOFCWLFIFBGKM-UHFFFAOYSA-N 1 0 445.589 2.522 50 0 IFAARO COc1ccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1NC(C)=O ZINC000065363231 556834919 /nfs/dbraw/zinc/83/49/19/556834919.db2.gz YFJDXEIUUIFQMW-UHFFFAOYSA-N 1 0 447.557 2.605 50 0 IFAARO COc1cc(OC)cc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000065363581 556835196 /nfs/dbraw/zinc/83/51/96/556835196.db2.gz VASOTAQLTGXVTK-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO CC(C)c1ccccc1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000065363699 556835226 /nfs/dbraw/zinc/83/52/26/556835226.db2.gz UAOBRMZDGGNTCF-UHFFFAOYSA-N 1 0 444.601 2.967 50 0 IFAARO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000067629460 556845132 /nfs/dbraw/zinc/84/51/32/556845132.db2.gz FDIKNMORYWPVQP-UHFFFAOYSA-N 1 0 443.569 2.547 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131476 556871952 /nfs/dbraw/zinc/87/19/52/556871952.db2.gz VXGMRTJTXJWHKH-UHFFFAOYSA-N 1 0 446.038 2.683 50 0 IFAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004711973 556889966 /nfs/dbraw/zinc/88/99/66/556889966.db2.gz CHKIRRDVGFQXAJ-QFIPXVFZSA-N 1 0 435.634 2.509 50 0 IFAARO CN(Cc1cc[nH]n1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000019791325 556915160 /nfs/dbraw/zinc/91/51/60/556915160.db2.gz KNYOBVARHUUFIG-UHFFFAOYSA-N 1 0 435.576 2.780 50 0 IFAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[N@H+](C)CCc2cn[nH]c2)C[C@H](C)O1 ZINC000019850353 556930621 /nfs/dbraw/zinc/93/06/21/556930621.db2.gz HGZIMRKAUOEESH-GASCZTMLSA-N 1 0 430.940 2.635 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000019890114 556939167 /nfs/dbraw/zinc/93/91/67/556939167.db2.gz UPCKZNZDINBZJJ-SFHVURJKSA-N 1 0 427.526 2.673 50 0 IFAARO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000019890112 556939221 /nfs/dbraw/zinc/93/92/21/556939221.db2.gz AIPMWMAWCQNJRO-HXUWFJFHSA-N 1 0 441.915 2.875 50 0 IFAARO Cc1ccc(Oc2ccc(C(=O)N3CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)cc2)nn1 ZINC000072437297 556972686 /nfs/dbraw/zinc/97/26/86/556972686.db2.gz IZKSSDOPWCKYQD-UHFFFAOYSA-N 1 0 433.516 2.704 50 0 IFAARO COc1cccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1OC ZINC000072437878 556973029 /nfs/dbraw/zinc/97/30/29/556973029.db2.gz ZDFOYQYTGAPMHU-UHFFFAOYSA-N 1 0 425.533 2.755 50 0 IFAARO Cc1ccc(Oc2cccc(C(=O)N3CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)c2)nn1 ZINC000072442473 556973291 /nfs/dbraw/zinc/97/32/91/556973291.db2.gz REWHWVLMXPQIJD-UHFFFAOYSA-N 1 0 433.516 2.704 50 0 IFAARO O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097111919 556990341 /nfs/dbraw/zinc/99/03/41/556990341.db2.gz ZJPOAHIZLJEGFT-LJQANCHMSA-N 1 0 439.478 2.673 50 0 IFAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000020204559 556998024 /nfs/dbraw/zinc/99/80/24/556998024.db2.gz UAWZSYPENMQHLR-RUZDIDTESA-N 1 0 436.600 2.868 50 0 IFAARO CCc1c(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000020271895 557004764 /nfs/dbraw/zinc/00/47/64/557004764.db2.gz GQZDMGUNBJXLSW-IBGZPJMESA-N 1 0 439.556 2.775 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255029 557005754 /nfs/dbraw/zinc/00/57/54/557005754.db2.gz BDVDLZAGTYETFJ-QHCPKHFHSA-N 1 0 444.595 2.744 50 0 IFAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000046046089 557025734 /nfs/dbraw/zinc/02/57/34/557025734.db2.gz AUNKDOAZCCBIJI-UHFFFAOYSA-N 1 0 440.588 2.675 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000048235180 557046927 /nfs/dbraw/zinc/04/69/27/557046927.db2.gz SEKBMIBQVGZONJ-HDICACEKSA-N 1 0 433.574 2.856 50 0 IFAARO CCn1cc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 ZINC000022919876 557046964 /nfs/dbraw/zinc/04/69/64/557046964.db2.gz QAVHRIWBHXVUSU-QFIPXVFZSA-N 1 0 425.577 2.722 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2c3ccccc3n(C)c(=O)c2=O)cc1 ZINC000033272695 557052521 /nfs/dbraw/zinc/05/25/21/557052521.db2.gz UIUUWHWRONCXEC-IBGZPJMESA-N 1 0 448.567 2.743 50 0 IFAARO CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 ZINC000033275426 557054410 /nfs/dbraw/zinc/05/44/10/557054410.db2.gz WBSRVDFZUATKBU-UHFFFAOYSA-N 1 0 444.601 2.797 50 0 IFAARO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000048324951 557065548 /nfs/dbraw/zinc/06/55/48/557065548.db2.gz GRYJLPYGFYBDFQ-IRXDYDNUSA-N 1 0 448.539 2.602 50 0 IFAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1 ZINC000023128724 557065874 /nfs/dbraw/zinc/06/58/74/557065874.db2.gz DWNKCASWLOZHEP-UHFFFAOYSA-N 1 0 441.482 2.943 50 0 IFAARO CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1=O ZINC000048361826 557073221 /nfs/dbraw/zinc/07/32/21/557073221.db2.gz RZABDNFLVJVIAW-ROUUACIJSA-N 1 0 428.577 2.891 50 0 IFAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](N1CC[NH+](C3CCCC3)CC1)C2 ZINC000023354215 557086674 /nfs/dbraw/zinc/08/66/74/557086674.db2.gz QHJPIYQAEKSURE-NRFANRHFSA-N 1 0 439.579 2.907 50 0 IFAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1 ZINC000049550250 557112927 /nfs/dbraw/zinc/11/29/27/557112927.db2.gz SHFFZSRTCXFKRR-UHFFFAOYSA-N 1 0 435.572 2.572 50 0 IFAARO O=C(COc1coc(CN2CCCCC2)cc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049550283 557113301 /nfs/dbraw/zinc/11/33/01/557113301.db2.gz HVTAIJWKPCNJDP-UHFFFAOYSA-N 1 0 439.556 2.785 50 0 IFAARO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000017813091 557124147 /nfs/dbraw/zinc/12/41/47/557124147.db2.gz MSWZHSAGWFEQLP-UHFFFAOYSA-N 1 0 442.025 2.979 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791837 557125408 /nfs/dbraw/zinc/12/54/08/557125408.db2.gz MZDHPJAHNFASNQ-LJQANCHMSA-N 1 0 448.567 2.927 50 0 IFAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791825 557125512 /nfs/dbraw/zinc/12/55/12/557125512.db2.gz LSLXTBQKBXEZKX-RTBURBONSA-N 1 0 448.567 2.925 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000024954792 557182522 /nfs/dbraw/zinc/18/25/22/557182522.db2.gz QYYCGFMITJNPFQ-HXUWFJFHSA-N 1 0 429.586 2.959 50 0 IFAARO O=C(COc1ccccc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)N1CCCC1 ZINC000025261335 557201506 /nfs/dbraw/zinc/20/15/06/557201506.db2.gz YUIZNSUQRYWBTH-FQEVSTJZSA-N 1 0 429.586 2.912 50 0 IFAARO O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000025263296 557201730 /nfs/dbraw/zinc/20/17/30/557201730.db2.gz DVHDXCLIWKHDFU-UHFFFAOYSA-N 1 0 433.549 2.796 50 0 IFAARO COc1ccc(-n2ncc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)c2C(F)(F)F)nn1 ZINC000025332286 557204988 /nfs/dbraw/zinc/20/49/88/557204988.db2.gz RFEBQIJZETVGTO-CYBMUJFWSA-N 1 0 440.451 2.784 50 0 IFAARO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)CC1 ZINC000026284753 557238708 /nfs/dbraw/zinc/23/87/08/557238708.db2.gz CGYGJYQDRBNVHK-UHFFFAOYSA-N 1 0 428.968 2.519 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000583647590 557241185 /nfs/dbraw/zinc/24/11/85/557241185.db2.gz NEUDBCYODBUKHN-ONTIZHBOSA-N 1 0 431.577 2.758 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000583648147 557241209 /nfs/dbraw/zinc/24/12/09/557241209.db2.gz IBJUFGNQYYAZML-ZRBLBEILSA-N 1 0 427.589 2.775 50 0 IFAARO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027336246 557260466 /nfs/dbraw/zinc/26/04/66/557260466.db2.gz PAHPPURGXCMPJB-HNNXBMFYSA-N 1 0 436.438 2.849 50 0 IFAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(CC[NH+]3CCCC3)CC2)nc1 ZINC000022919274 557273304 /nfs/dbraw/zinc/27/33/04/557273304.db2.gz SUPVBXHHJDDRHE-UHFFFAOYSA-N 1 0 443.617 2.515 50 0 IFAARO O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000101374232 557280962 /nfs/dbraw/zinc/28/09/62/557280962.db2.gz JKOKCYUFCICFQW-UHFFFAOYSA-N 1 0 445.535 2.667 50 0 IFAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000101701501 557293970 /nfs/dbraw/zinc/29/39/70/557293970.db2.gz DFPOCFWEMPUWFE-UHFFFAOYSA-N 1 0 430.980 2.939 50 0 IFAARO CN1CCc2nc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)sc2C1 ZINC000023609425 557368840 /nfs/dbraw/zinc/36/88/40/557368840.db2.gz AHRFKUQJDVFSFF-UHFFFAOYSA-N 1 0 429.571 2.810 50 0 IFAARO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000024114935 557396342 /nfs/dbraw/zinc/39/63/42/557396342.db2.gz NIMZOBOSLVUUJU-UHFFFAOYSA-N 1 0 442.006 2.934 50 0 IFAARO COc1ccc(CN2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c(OC)c1OC ZINC000012031154 557524173 /nfs/dbraw/zinc/52/41/73/557524173.db2.gz DFYGTXJEPVAMHL-DEOSSOPVSA-N 1 0 430.545 2.876 50 0 IFAARO O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000107365539 557535779 /nfs/dbraw/zinc/53/57/79/557535779.db2.gz ALVCIIDTNGGTRL-MJGOQNOKSA-N 1 0 426.542 2.730 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[C@H](C)[NH+]3CCCC3)CC2)c1C ZINC000045974001 557555931 /nfs/dbraw/zinc/55/59/31/557555931.db2.gz FSEFHECXETVEHC-INIZCTEOSA-N 1 0 446.592 2.651 50 0 IFAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000045974806 557556642 /nfs/dbraw/zinc/55/66/42/557556642.db2.gz QGEWBBQDYCMYDX-UHFFFAOYSA-N 1 0 443.613 2.995 50 0 IFAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000045974821 557556726 /nfs/dbraw/zinc/55/67/26/557556726.db2.gz HUGVDEJAQRNCLK-UHFFFAOYSA-N 1 0 429.586 2.741 50 0 IFAARO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)c3ccoc3)c(OCC)c2)CC1 ZINC000225555785 557741927 /nfs/dbraw/zinc/74/19/27/557741927.db2.gz XWHDPRXJLPPXQN-KRWDZBQOSA-N 1 0 428.533 2.967 50 0 IFAARO CS(=O)(=O)N1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2(C1)CCCCC2 ZINC000096309573 557776585 /nfs/dbraw/zinc/77/65/85/557776585.db2.gz BXDPKRGBVBJEKD-NRFANRHFSA-N 1 0 433.618 2.609 50 0 IFAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C ZINC000014987638 557835376 /nfs/dbraw/zinc/83/53/76/557835376.db2.gz JZIIIPWFEYRFHG-IBGZPJMESA-N 1 0 449.555 2.910 50 0 IFAARO O=C(C[S@](=O)Cc1ccco1)NC/C=C/COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000003873058 557852494 /nfs/dbraw/zinc/85/24/94/557852494.db2.gz KMZQAVXSMUKBPD-RWODCLOBSA-N 1 0 431.558 2.661 50 0 in-vitro IFAARO CCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000008671419 562960843 /nfs/dbraw/zinc/96/08/43/562960843.db2.gz URPWMEUHNXWYHA-UHFFFAOYSA-N 1 0 449.661 2.899 50 0 IFAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c[nH]1 ZINC000009301128 562969132 /nfs/dbraw/zinc/96/91/32/562969132.db2.gz VXTVMMYNTWNSEZ-UHFFFAOYSA-N 1 0 425.938 2.645 50 0 IFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000009405572 562970153 /nfs/dbraw/zinc/97/01/53/562970153.db2.gz CCUMQWKSMZFGTK-INIZCTEOSA-N 1 0 430.574 2.759 50 0 IFAARO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000009491840 562972039 /nfs/dbraw/zinc/97/20/39/562972039.db2.gz LAZQTUPTICGIOO-OAQYLSRUSA-N 1 0 431.558 2.512 50 0 IFAARO COc1cccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1OC ZINC000012020244 562980333 /nfs/dbraw/zinc/98/03/33/562980333.db2.gz JVEXKCDWOKLDDX-IBGZPJMESA-N 1 0 442.560 2.689 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000019898743 563023205 /nfs/dbraw/zinc/02/32/05/563023205.db2.gz YBUROUGFUOVFDR-VWNXMTODSA-N 1 0 433.552 2.892 50 0 IFAARO O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020116636 563023806 /nfs/dbraw/zinc/02/38/06/563023806.db2.gz WPCVWCFDQSXVHL-UHFFFAOYSA-N 1 0 432.590 2.789 50 0 IFAARO CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CC[NH+](C)CC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000001072576 568657742 /nfs/dbraw/zinc/65/77/42/568657742.db2.gz ADIWITQQNGFPAX-JOCHJYFZSA-N 1 0 442.512 2.851 50 0 IFAARO COC(=O)c1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc1 ZINC000043941129 568743693 /nfs/dbraw/zinc/74/36/93/568743693.db2.gz AMBHPSRDCWDLHT-UHFFFAOYSA-N 1 0 427.501 2.650 50 0 IFAARO COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCC[NH+](C)C)c3C3CC3)n2)c1 ZINC000299802393 568758151 /nfs/dbraw/zinc/75/81/51/568758151.db2.gz ZDWMJTSXPUUGSA-UHFFFAOYSA-N 1 0 436.516 2.515 50 0 IFAARO CC(=O)N1CCCc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000015324496 568758352 /nfs/dbraw/zinc/75/83/52/568758352.db2.gz FGVAZAFTOXMKTO-UHFFFAOYSA-N 1 0 427.570 2.929 50 0 IFAARO C[C@H]1C[C@@H](CCNC(=O)c2ccccc2CN2C(=O)CNC2=O)C[N@@H+]1Cc1ccccc1 ZINC000084686457 568799931 /nfs/dbraw/zinc/79/99/31/568799931.db2.gz ZJZMXILVFRBZTR-AZUAARDMSA-N 1 0 434.540 2.769 50 0 IFAARO C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CN2C(=O)CNC2=O)C[N@@H+]1Cc1ccccc1 ZINC000084686452 568800065 /nfs/dbraw/zinc/80/00/65/568800065.db2.gz ZJZMXILVFRBZTR-UYAOXDASSA-N 1 0 434.540 2.769 50 0 IFAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000084760877 568801019 /nfs/dbraw/zinc/80/10/19/568801019.db2.gz FSRWKVMOAWPLPH-LJQANCHMSA-N 1 0 445.589 2.894 50 0 IFAARO O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCC[NH+]1CCCCCC1 ZINC000015722226 568812112 /nfs/dbraw/zinc/81/21/12/568812112.db2.gz MVQCGRKXRDAUHY-UHFFFAOYSA-N 1 0 446.617 2.808 50 0 IFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652736 568837675 /nfs/dbraw/zinc/83/76/75/568837675.db2.gz JMSFYYLVOKFYCM-UJKMTWAASA-N 1 0 432.613 2.609 50 0 IFAARO CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCN(CC)C2 ZINC000015823444 568840275 /nfs/dbraw/zinc/84/02/75/568840275.db2.gz IUEYONJZGULKAA-UHFFFAOYSA-N 1 0 441.509 2.538 50 0 IFAARO Cc1c(C)n(C2CCCCC2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000006130470 568844811 /nfs/dbraw/zinc/84/48/11/568844811.db2.gz UNSRMDSPHLRRRR-UHFFFAOYSA-N 1 0 426.565 2.757 50 0 IFAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)c1 ZINC000015864108 568849535 /nfs/dbraw/zinc/84/95/35/568849535.db2.gz XVCOKQDUMJSCDI-UHFFFAOYSA-N 1 0 446.345 2.532 50 0 IFAARO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000015868679 568852208 /nfs/dbraw/zinc/85/22/08/568852208.db2.gz JFUUSYXZHPYWNS-KRWDZBQOSA-N 1 0 426.561 2.877 50 0 IFAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015956851 568859849 /nfs/dbraw/zinc/85/98/49/568859849.db2.gz OMFCZJCUEDECGI-UGCAPWQASA-N 1 0 431.492 2.689 50 0 IFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000015958548 568860243 /nfs/dbraw/zinc/86/02/43/568860243.db2.gz HJECLTDIELNFIK-HOSCZWGSSA-N 1 0 433.508 2.662 50 0 IFAARO CSCC[C@@H]1[NH2+][C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967975 568861334 /nfs/dbraw/zinc/86/13/34/568861334.db2.gz BDYLUWBKBGWIEL-PDFGSZSQSA-N 1 0 449.576 2.711 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)[NH2+][C@@]12C(=O)Nc1c2cccc1C ZINC000016027329 568864774 /nfs/dbraw/zinc/86/47/74/568864774.db2.gz BQDLWEHAVJYOKK-IUTNBOSVSA-N 1 0 429.904 2.802 50 0 IFAARO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229654163 568886696 /nfs/dbraw/zinc/88/66/96/568886696.db2.gz JKBMCKGAWQMYHU-QNFHRHJVSA-N 1 0 425.847 2.910 50 0 IFAARO CC[NH+]1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 ZINC000058122725 568897009 /nfs/dbraw/zinc/89/70/09/568897009.db2.gz KPKAPMJOUMLNKT-FMIVXFBMSA-N 1 0 425.554 2.615 50 0 IFAARO COc1c2c(c(CNC(=O)c3ccc(NC(=O)C(C)C)cc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000524729545 568903992 /nfs/dbraw/zinc/90/39/92/568903992.db2.gz YASKHFOLIWPVQR-UHFFFAOYSA-N 1 0 439.512 2.936 50 0 IFAARO CCC(CC)[C@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCOCC1 ZINC000240465973 568911895 /nfs/dbraw/zinc/91/18/95/568911895.db2.gz GBUUHRBHCGVYAV-CZYKHXBRSA-N 1 0 447.620 2.606 50 0 IFAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000245329486 568915248 /nfs/dbraw/zinc/91/52/48/568915248.db2.gz ZNMFUECAVDMKNF-IMIIHFCZSA-N 1 0 441.462 2.993 50 0 IFAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036095581 568951432 /nfs/dbraw/zinc/95/14/32/568951432.db2.gz OPZVTOXWQDQLPJ-JOCHJYFZSA-N 1 0 444.572 2.586 50 0 IFAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)cc(C)[nH+]1 ZINC000064800495 568961302 /nfs/dbraw/zinc/96/13/02/568961302.db2.gz ZWTCVZAUYHFYBW-UHFFFAOYSA-N 1 0 437.569 2.980 50 0 IFAARO O=C(CN1c2cc(-c3ccc(Cl)cc3)nn2CCC1=O)NCC[NH+]1CCCCCC1 ZINC000064817822 568964923 /nfs/dbraw/zinc/96/49/23/568964923.db2.gz CJZODHNSIIMOMS-UHFFFAOYSA-N 1 0 429.952 2.932 50 0 IFAARO Cn1c2c(C(=O)NCc3ccccc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836151 568969123 /nfs/dbraw/zinc/96/91/23/568969123.db2.gz GIULOFUNDIGGTM-UHFFFAOYSA-N 1 0 427.508 2.521 50 0 IFAARO COc1ccccc1NC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000064836053 568969142 /nfs/dbraw/zinc/96/91/42/568969142.db2.gz QOPQLGVOGPPCIR-UHFFFAOYSA-N 1 0 443.507 2.852 50 0 IFAARO C[N@H+](CCNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21)C1CCCCC1 ZINC000064836647 568969434 /nfs/dbraw/zinc/96/94/34/568969434.db2.gz QHCXXYBKUXTTCD-UHFFFAOYSA-N 1 0 432.594 2.526 50 0 IFAARO C[NH+](C)CCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1C(F)(F)F ZINC000006776757 568983619 /nfs/dbraw/zinc/98/36/19/568983619.db2.gz DWQDGWYTIMQKLO-QGZVFWFLSA-N 1 0 427.467 2.885 50 0 IFAARO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1 ZINC000036309580 568996288 /nfs/dbraw/zinc/99/62/88/568996288.db2.gz ALHDRLXCNNNHDW-RXVVDRJESA-N 1 0 448.560 2.864 50 0 IFAARO Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccccc2C)CC3)cc1 ZINC000065074731 569099008 /nfs/dbraw/zinc/09/90/08/569099008.db2.gz UAWQMDCGWPHOKL-UHFFFAOYSA-N 1 0 426.586 2.618 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2)cc1 ZINC000065074874 569099265 /nfs/dbraw/zinc/09/92/65/569099265.db2.gz QTKBAHOZJLSZIZ-UHFFFAOYSA-N 1 0 426.586 2.564 50 0 IFAARO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)n3)c2c1 ZINC000065111732 569107777 /nfs/dbraw/zinc/10/77/77/569107777.db2.gz WYNNQBBAJORUKF-UHFFFAOYSA-N 1 0 447.495 2.729 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)C[N@H+](Cc1ccccc1)CC2 ZINC000065153596 569112066 /nfs/dbraw/zinc/11/20/66/569112066.db2.gz HTVFMQTYLRPZTD-UHFFFAOYSA-N 1 0 434.515 2.820 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153559 569112087 /nfs/dbraw/zinc/11/20/87/569112087.db2.gz ZQJVHLYMPKPTRY-UHFFFAOYSA-N 1 0 434.515 2.820 50 0 IFAARO CC[NH+]1CCN(CCNC(=O)c2cccc3c2CCN3C(=O)Nc2cccc(C)c2)CC1 ZINC000065210084 569116533 /nfs/dbraw/zinc/11/65/33/569116533.db2.gz KZLSOVABHISXTO-UHFFFAOYSA-N 1 0 435.572 2.957 50 0 IFAARO COc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)o2)cc1 ZINC000065229795 569118239 /nfs/dbraw/zinc/11/82/39/569118239.db2.gz USDFERPWYYCRRQ-QGZVFWFLSA-N 1 0 427.549 2.952 50 0 IFAARO O=C(C[C@H](c1coc2ccccc2c1=O)c1cc2c(cc1O)OCO2)NCCn1ccnc1 ZINC000524729923 569125918 /nfs/dbraw/zinc/12/59/18/569125918.db2.gz OLPZCFZKMKIMLP-INIZCTEOSA-N 1 0 447.447 2.762 50 0 IFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000524731434 569126506 /nfs/dbraw/zinc/12/65/06/569126506.db2.gz XQNNTLJCYWXRQB-MIZPHKNDSA-N 1 0 443.588 2.788 50 0 IFAARO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314113 569135505 /nfs/dbraw/zinc/13/55/05/569135505.db2.gz PVQQTYXTBPTLGY-QFIPXVFZSA-N 1 0 437.588 2.500 50 0 IFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](O)c1ccccc1 ZINC000065491279 569138736 /nfs/dbraw/zinc/13/87/36/569138736.db2.gz SRMYXPRXYVKNIU-VLIAUNLRSA-N 1 0 432.908 2.704 50 0 IFAARO O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170609748 569144739 /nfs/dbraw/zinc/14/47/39/569144739.db2.gz OHJDMSVVJURXPW-APWZRJJASA-N 1 0 427.998 2.779 50 0 IFAARO CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[NH+]1CCCCC1 ZINC000010080298 569152629 /nfs/dbraw/zinc/15/26/29/569152629.db2.gz VVVJXGBQFVTKAY-UHFFFAOYSA-N 1 0 443.013 2.620 50 0 IFAARO COC(=O)c1ccccc1NC(=O)CSC1=N[C@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1 ZINC000013579097 569156170 /nfs/dbraw/zinc/15/61/70/569156170.db2.gz XZALUMMUCXTOIM-GOSISDBHSA-N 1 0 436.497 2.599 50 0 IFAARO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000014333582 569158579 /nfs/dbraw/zinc/15/85/79/569158579.db2.gz DVUMDQULNYOVSO-OFNKIYASSA-N 1 0 437.540 2.946 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 ZINC000014520494 569159219 /nfs/dbraw/zinc/15/92/19/569159219.db2.gz RERDVJRKXAZUDZ-FQEVSTJZSA-N 1 0 449.580 2.875 50 0 IFAARO C[NH+]1CCN(c2ccc(NC(=O)CCCNC(=O)C34CC5CC(CC(C5)C3)C4)cn2)CC1 ZINC000014520719 569159284 /nfs/dbraw/zinc/15/92/84/569159284.db2.gz NCWSAAITBVEWBB-UHFFFAOYSA-N 1 0 439.604 2.885 50 0 IFAARO Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1 ZINC000089672721 569161126 /nfs/dbraw/zinc/16/11/26/569161126.db2.gz CNXCVJQZDWAQGF-PMACEKPBSA-N 1 0 430.593 2.879 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C(C)C)c1 ZINC000089791079 569165004 /nfs/dbraw/zinc/16/50/04/569165004.db2.gz KMHJKOACIZBMKN-QFIPXVFZSA-N 1 0 445.535 2.975 50 0 IFAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017053060 569172025 /nfs/dbraw/zinc/17/20/25/569172025.db2.gz OXMVLPCNCWDPIC-UHFFFAOYSA-N 1 0 429.590 2.903 50 0 IFAARO Cn1nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc(-c3ccc4c(c3)OCO4)c2c1N ZINC000037361365 569181591 /nfs/dbraw/zinc/18/15/91/569181591.db2.gz FFAKIBOQBAGVNL-UHFFFAOYSA-N 1 0 435.532 2.796 50 0 IFAARO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCO2)C[C@H]1C ZINC000252503482 569188040 /nfs/dbraw/zinc/18/80/40/569188040.db2.gz VDKDZQUEIAPUKF-IFMALSPDSA-N 1 0 443.592 2.810 50 0 IFAARO Cc1cc([C@H]([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000252512276 569188891 /nfs/dbraw/zinc/18/88/91/569188891.db2.gz OQTSXKXUHFJUBJ-WAOWUJCRSA-N 1 0 442.647 2.846 50 0 IFAARO O=C(CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252532977 569189789 /nfs/dbraw/zinc/18/97/89/569189789.db2.gz FPPMXMWOWPPVBM-DFQSSKMNSA-N 1 0 430.524 2.611 50 0 IFAARO C[NH+](C)CCn1cnc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000252540145 569190264 /nfs/dbraw/zinc/19/02/64/569190264.db2.gz OTZZDDSITCUCDX-GOSISDBHSA-N 1 0 434.500 2.717 50 0 IFAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819712 569211407 /nfs/dbraw/zinc/21/14/07/569211407.db2.gz DDJVPNSCQCLTFO-FQEVSTJZSA-N 1 0 439.604 2.990 50 0 IFAARO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819714 569211450 /nfs/dbraw/zinc/21/14/50/569211450.db2.gz DGUNLBGJGCZOLS-HSZRJFAPSA-N 1 0 434.584 2.987 50 0 IFAARO Cc1ncccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820152 569211796 /nfs/dbraw/zinc/21/17/96/569211796.db2.gz VEJZAUZGXKKLBJ-NRFANRHFSA-N 1 0 435.572 2.761 50 0 IFAARO Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000581820227 569211806 /nfs/dbraw/zinc/21/18/06/569211806.db2.gz ZQPBREZKXXQDOM-QFIPXVFZSA-N 1 0 435.572 2.761 50 0 IFAARO COc1cc2c(cc1OC)CC(=O)N(CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C=C2 ZINC000253404221 569265170 /nfs/dbraw/zinc/26/51/70/569265170.db2.gz HSQPPRMSEZJZKF-UHFFFAOYSA-N 1 0 429.561 2.875 50 0 IFAARO Cn1ccnc1[C@@](O)(CCNC(=O)c1cn(CC[NH+](C)C)c2ccccc12)C(F)(F)F ZINC000078720239 569318589 /nfs/dbraw/zinc/31/85/89/569318589.db2.gz HXHSXRRWLFRDSS-FQEVSTJZSA-N 1 0 437.466 2.506 50 0 IFAARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000078802961 569319037 /nfs/dbraw/zinc/31/90/37/569319037.db2.gz MQCYXOXIPVPOLG-NRFANRHFSA-N 1 0 441.597 2.923 50 0 IFAARO COc1ccc(Cl)cc1NC(=S)N1CCC([N@H+](C)CCN2CCOCC2)CC1 ZINC000019359990 569319070 /nfs/dbraw/zinc/31/90/70/569319070.db2.gz NTIMGKQTJNEDPT-UHFFFAOYSA-N 1 0 427.014 2.774 50 0 IFAARO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000078879169 569319967 /nfs/dbraw/zinc/31/99/67/569319967.db2.gz YORXHAGGXQUURF-AZUAARDMSA-N 1 0 431.552 2.828 50 0 IFAARO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc1 ZINC000079066780 569324272 /nfs/dbraw/zinc/32/42/72/569324272.db2.gz TVHPXHHSXHPMDB-NRFANRHFSA-N 1 0 425.529 2.823 50 0 IFAARO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc3ccc(O)cc3)CC2)c(F)c1 ZINC000079099699 569325496 /nfs/dbraw/zinc/32/54/96/569325496.db2.gz HTXLSOHVOMAEKB-KRWDZBQOSA-N 1 0 427.520 2.946 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+]([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214053 569356436 /nfs/dbraw/zinc/35/64/36/569356436.db2.gz UGVYJNRRDPDBTH-QRWLVFNGSA-N 1 0 434.968 2.927 50 0 IFAARO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283697 569358920 /nfs/dbraw/zinc/35/89/20/569358920.db2.gz XHVDYODXSGOMIA-QEEYODRMSA-N 1 0 431.533 2.853 50 0 IFAARO CCC[NH+]1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)CC1 ZINC000020417245 569364942 /nfs/dbraw/zinc/36/49/42/569364942.db2.gz NRMANHVDRKHWAT-UHFFFAOYSA-N 1 0 439.535 2.556 50 0 IFAARO Cc1cc([C@H]([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 ZINC000095462603 569370152 /nfs/dbraw/zinc/37/01/52/569370152.db2.gz OQTSXKXUHFJUBJ-LVCYWYKZSA-N 1 0 442.647 2.846 50 0 IFAARO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466513 569370959 /nfs/dbraw/zinc/37/09/59/569370959.db2.gz FXRJAIMDHMSBDZ-CTNGQTDRSA-N 1 0 427.570 2.640 50 0 IFAARO Cc1cc(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)N2CC[NH+](C)CC2)ccc1F ZINC000020890331 569374988 /nfs/dbraw/zinc/37/49/88/569374988.db2.gz DCGFDUWPUQYSST-QFIPXVFZSA-N 1 0 430.549 2.882 50 0 IFAARO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000095943599 569375698 /nfs/dbraw/zinc/37/56/98/569375698.db2.gz WAVPTRYWKSAIBB-HXUWFJFHSA-N 1 0 445.610 2.857 50 0 IFAARO COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000095945439 569375969 /nfs/dbraw/zinc/37/59/69/569375969.db2.gz ZSWVYSLTRKUOJU-WDJPJFJCSA-N 1 0 441.597 2.568 50 0 IFAARO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000095966238 569377364 /nfs/dbraw/zinc/37/73/64/569377364.db2.gz SEILDLDTBPXDMM-UHFFFAOYSA-N 1 0 427.929 2.591 50 0 IFAARO CC(C)COC(=O)N1CCCN([C@H](C)C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC000095977351 569377730 /nfs/dbraw/zinc/37/77/30/569377730.db2.gz SYNNDJRAAMWDLH-OAQYLSRUSA-N 1 0 440.629 2.976 50 0 IFAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000096011735 569379934 /nfs/dbraw/zinc/37/99/34/569379934.db2.gz BGSKLVSNAOEQGL-VJBWXMMDSA-N 1 0 427.589 2.688 50 0 IFAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000096011734 569379939 /nfs/dbraw/zinc/37/99/39/569379939.db2.gz BGSKLVSNAOEQGL-ZLNRFVROSA-N 1 0 427.589 2.688 50 0 IFAARO COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[NH+]3CCC(C)CC3)n1C)CC2 ZINC000096116139 569383677 /nfs/dbraw/zinc/38/36/77/569383677.db2.gz MFWOEXLARGYDJG-UHFFFAOYSA-N 1 0 441.572 2.898 50 0 IFAARO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096221014 569386730 /nfs/dbraw/zinc/38/67/30/569386730.db2.gz MMTLYGIOBQOSIZ-ZJOUEHCJSA-N 1 0 434.581 2.632 50 0 IFAARO Cc1nc2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc2n1CCC[NH+](C)C ZINC000096224009 569387340 /nfs/dbraw/zinc/38/73/40/569387340.db2.gz QHOXZWGFLCNWDI-QFIPXVFZSA-N 1 0 432.532 2.705 50 0 IFAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000225565791 569404614 /nfs/dbraw/zinc/40/46/14/569404614.db2.gz RFQHIMZSIPJQSK-UHFFFAOYSA-N 1 0 429.439 2.531 50 0 IFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415614 569434003 /nfs/dbraw/zinc/43/40/03/569434003.db2.gz RFOYSQKKJICSQG-JOCHJYFZSA-N 1 0 444.551 2.947 50 0 IFAARO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415616 569434011 /nfs/dbraw/zinc/43/40/11/569434011.db2.gz RFOYSQKKJICSQG-QFIPXVFZSA-N 1 0 444.551 2.947 50 0 IFAARO C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000057530612 569439264 /nfs/dbraw/zinc/43/92/64/569439264.db2.gz YMIARIYMSZAXIZ-CDNPAEQRSA-N 1 0 431.540 2.611 50 0 IFAARO O=C(CN1CCC(NC(=O)C2CC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058133407 569448366 /nfs/dbraw/zinc/44/83/66/569448366.db2.gz KVJOQRSIHOLMIZ-NRFANRHFSA-N 1 0 432.996 2.584 50 0 IFAARO COc1cc(N2C[C@@H](C(=O)Nc3ccccc3C[NH+](C)C)CC2=O)cc(OC)c1OC ZINC000031231350 569455012 /nfs/dbraw/zinc/45/50/12/569455012.db2.gz PAIGPAPPAZBQAU-INIZCTEOSA-N 1 0 427.501 2.766 50 0 IFAARO Cc1cccc(N2C[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)c1C ZINC000031241242 569455115 /nfs/dbraw/zinc/45/51/15/569455115.db2.gz DUZCGOBOKWDKTB-QFIPXVFZSA-N 1 0 434.584 2.985 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000031339751 569456048 /nfs/dbraw/zinc/45/60/48/569456048.db2.gz LZMIDOVCSOEZPP-FQEVSTJZSA-N 1 0 447.626 2.632 50 0 IFAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@H](C)O1 ZINC000031413561 569456382 /nfs/dbraw/zinc/45/63/82/569456382.db2.gz DXNUTDYWHJQKHE-UEXGIBASSA-N 1 0 425.529 2.554 50 0 IFAARO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000032064968 569459035 /nfs/dbraw/zinc/45/90/35/569459035.db2.gz OTEBQQULTMUHSY-RUZDIDTESA-N 1 0 448.611 2.781 50 0 IFAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670459518 569460644 /nfs/dbraw/zinc/46/06/44/569460644.db2.gz IEMDFALNPWKFBS-FUBUYXNDSA-N 1 0 427.552 2.683 50 0 IFAARO Cc1cccc(-n2c(=O)[nH]c3nc(N4CCC([NH+]5CCCCC5)CC4)ncc3c2=O)c1C ZINC000067264263 569466721 /nfs/dbraw/zinc/46/67/21/569466721.db2.gz KIZJRQJTAOBYDJ-UHFFFAOYSA-N 1 0 434.544 2.953 50 0 IFAARO CC[NH+](CC)CCCNC(=O)CN1c2cc(-c3cn(C)c4ccccc34)nn2CCC1=O ZINC000008609654 569469411 /nfs/dbraw/zinc/46/94/11/569469411.db2.gz MLQUREQAKWTDBL-UHFFFAOYSA-N 1 0 436.560 2.627 50 0 IFAARO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1S(=O)(=O)NC1CC1 ZINC000008708474 569470688 /nfs/dbraw/zinc/47/06/88/569470688.db2.gz ZVAMBEJIIHFQLL-UHFFFAOYSA-N 1 0 429.542 2.984 50 0 IFAARO Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CC[NH2+]CC2)C3=O)cc1Cl ZINC000039380668 569481534 /nfs/dbraw/zinc/48/15/34/569481534.db2.gz IPBDRBHWAYBXQQ-JOCHJYFZSA-N 1 0 442.972 2.791 50 0 IFAARO CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000039461627 569481603 /nfs/dbraw/zinc/48/16/03/569481603.db2.gz OEOJWRQLJCASMH-XMMPIXPASA-N 1 0 434.584 2.598 50 0 IFAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000040023967 569482724 /nfs/dbraw/zinc/48/27/24/569482724.db2.gz KJZMXBIPLCQKAM-ZDUSSCGKSA-N 1 0 428.327 2.699 50 0 IFAARO COc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(OC)c1OC ZINC000040081453 569486573 /nfs/dbraw/zinc/48/65/73/569486573.db2.gz FHJZYMWNCRBJJR-FQEVSTJZSA-N 1 0 427.545 2.821 50 0 IFAARO CC[NH+](CC)CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000008933353 569487785 /nfs/dbraw/zinc/48/77/85/569487785.db2.gz CEUDEHUBPNONAJ-UHFFFAOYSA-N 1 0 449.530 2.997 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1CN1C(=O)CNC1=O ZINC000009051066 569498695 /nfs/dbraw/zinc/49/86/95/569498695.db2.gz WSRQPGCVCFIUCH-UHFFFAOYSA-N 1 0 440.931 2.786 50 0 IFAARO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1 ZINC000245257670 569501601 /nfs/dbraw/zinc/50/16/01/569501601.db2.gz CCXDYTNEXBOJFR-MJGOQNOKSA-N 1 0 427.549 2.952 50 0 IFAARO COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000009129558 569505802 /nfs/dbraw/zinc/50/58/02/569505802.db2.gz IIEBDKLYWIKYPU-BSOLYCLYSA-N 1 0 429.904 2.802 50 0 IFAARO Nc1cc(N)[nH+]c(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 ZINC000009353464 569524964 /nfs/dbraw/zinc/52/49/64/569524964.db2.gz ZJLAIYLYQYHUDV-UHFFFAOYSA-N 1 0 429.527 2.799 50 0 IFAARO COc1cccc([C@H](C[NH2+]C[C@@H](O)CN2CCOCC2)c2c[nH]c3ccccc32)c1OC ZINC000009729829 569564314 /nfs/dbraw/zinc/56/43/14/569564314.db2.gz KAVXKBBNRLRKNZ-NQIIRXRSSA-N 1 0 439.556 2.600 50 0 IFAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066034 569577556 /nfs/dbraw/zinc/57/75/56/569577556.db2.gz ZBFWJNXIYNHDKD-LJQANCHMSA-N 1 0 441.509 2.802 50 0 IFAARO Cc1c(C)n(-c2ccc(C)cc2C)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000010271881 569580078 /nfs/dbraw/zinc/58/00/78/569580078.db2.gz XWMQHGWJHJGHDB-UHFFFAOYSA-N 1 0 448.571 2.858 50 0 IFAARO NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010334245 569581111 /nfs/dbraw/zinc/58/11/11/569581111.db2.gz RZXVAFSFBIBKLE-JOCHJYFZSA-N 1 0 430.508 2.831 50 0 IFAARO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000071842126 569582245 /nfs/dbraw/zinc/58/22/45/569582245.db2.gz HWSQTBDIFYDHFB-SESVDKBCSA-N 1 0 426.586 2.829 50 0 IFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCNC(=O)c1ccccc1OC ZINC000036648954 569583892 /nfs/dbraw/zinc/58/38/92/569583892.db2.gz VJECLDQLILNRFI-UHFFFAOYSA-N 1 0 437.544 3.145 50 0 IFAARO COc1cccc(N2CCN(Cc3ccc(C(=O)NCC[NH+]4CCCCC4)o3)CC2)c1 ZINC000034684835 569587571 /nfs/dbraw/zinc/58/75/71/569587571.db2.gz GXMLTPMKHMOHIX-UHFFFAOYSA-N 1 0 426.561 2.826 50 0 IFAARO O=C(/C=C/c1ccc(O)cc1)NCCCC[NH2+]CCCNC(=O)/C=C/c1ccc(O)cc1 ZINC000039013540 291349423 /nfs/dbraw/zinc/34/94/23/291349423.db2.gz QYBCBMVQSCJMSA-VOMDNODZSA-N 1 0 437.540 2.817 50 0 endogenous,in-man IFAARO CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000003670345 132267520 /nfs/dbraw/zinc/26/75/20/132267520.db2.gz CPTFDTFHAAMBKY-DEOSSOPVSA-N 1 0 438.528 2.885 50 0 IFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000004749083 132273171 /nfs/dbraw/zinc/27/31/71/132273171.db2.gz AHVBFADYQHKHIX-UHFFFAOYSA-N 1 0 427.501 2.885 50 0 IFAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009060059 132301605 /nfs/dbraw/zinc/30/16/05/132301605.db2.gz PCFACPKRLGURBI-OAQYLSRUSA-N 1 0 447.587 2.988 50 0 IFAARO Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000009433909 132317320 /nfs/dbraw/zinc/31/73/20/132317320.db2.gz MAPRJOYLQLCWPI-KRWDZBQOSA-N 1 0 437.573 2.842 50 0 IFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)CC1 ZINC000020453756 519670202 /nfs/dbraw/zinc/67/02/02/519670202.db2.gz OBXHTDVNGCVLDW-DEOSSOPVSA-N 1 0 429.584 2.753 50 0 IFAARO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000035422081 519735909 /nfs/dbraw/zinc/73/59/09/519735909.db2.gz IZKXXGSGRQHWBP-UHFFFAOYSA-N 1 0 442.947 2.763 50 0 IFAARO CC(C)c1c(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)cnn1-c1ccccn1 ZINC000058184290 519830678 /nfs/dbraw/zinc/83/06/78/519830678.db2.gz XZSUIUZGNKMZFU-UHFFFAOYSA-N 1 0 433.560 2.858 50 0 IFAARO CCC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)CC1 ZINC000035561984 519855521 /nfs/dbraw/zinc/85/55/21/519855521.db2.gz USQAVASHULENPN-UHFFFAOYSA-N 1 0 426.561 2.973 50 0 IFAARO CCCC[N@H+](CCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)Cc1cccs1 ZINC000021108531 520508178 /nfs/dbraw/zinc/50/81/78/520508178.db2.gz CTEAIAYZDNQFHT-UHFFFAOYSA-N 1 0 437.587 2.968 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[C@@H](C)[NH+]3CCCC3)n2C)c1 ZINC000035561124 520814770 /nfs/dbraw/zinc/81/47/70/520814770.db2.gz CGBJCRIALYTARE-QGZVFWFLSA-N 1 0 434.606 2.813 50 0 IFAARO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000012919134 521034741 /nfs/dbraw/zinc/03/47/41/521034741.db2.gz YTOFBJOXVUHVJU-HNNXBMFYSA-N 1 0 442.632 2.729 50 0 IFAARO CC1CCN(c2ccc3nnc(CCC(=O)NC[C@H]4CC[N@@H+](C5CCCC5)C4)n3n2)CC1 ZINC000020530499 521042914 /nfs/dbraw/zinc/04/29/14/521042914.db2.gz LDMHEBFMKLLZLT-LJQANCHMSA-N 1 0 439.608 2.674 50 0 IFAARO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1F ZINC000020953580 521202698 /nfs/dbraw/zinc/20/26/98/521202698.db2.gz AIIREQXMBCJDRJ-SFHVURJKSA-N 1 0 427.567 2.553 50 0 IFAARO CCOc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1ccccc1Cl ZINC000040744411 521363040 /nfs/dbraw/zinc/36/30/40/521363040.db2.gz NKGYBXPILGYSND-UHFFFAOYSA-N 1 0 445.907 2.803 50 0 IFAARO CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012466993 521484139 /nfs/dbraw/zinc/48/41/39/521484139.db2.gz IGIAOOGFSIDIQN-FQEVSTJZSA-N 1 0 444.620 2.543 50 0 IFAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 ZINC000020910134 521486499 /nfs/dbraw/zinc/48/64/99/521486499.db2.gz BJHRNCGZPSTHIF-UHFFFAOYSA-N 1 0 425.577 2.974 50 0 IFAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000020514892 521681064 /nfs/dbraw/zinc/68/10/64/521681064.db2.gz VBFVEIDAHYOPEI-LJAQVGFWSA-N 1 0 437.993 2.998 50 0 IFAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2C)CC1 ZINC000022822196 521689798 /nfs/dbraw/zinc/68/97/98/521689798.db2.gz DKCHGHWWOPUVKZ-UHFFFAOYSA-N 1 0 437.544 2.980 50 0 IFAARO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3nnc(-c4ccsc4)o3)cn2)CC1 ZINC000048278756 521697394 /nfs/dbraw/zinc/69/73/94/521697394.db2.gz ULRLVOULJUJBPH-UHFFFAOYSA-N 1 0 426.546 2.584 50 0 IFAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000022287392 521700005 /nfs/dbraw/zinc/70/00/05/521700005.db2.gz LTKCTFJSAYUHGU-UHFFFAOYSA-N 1 0 428.558 2.756 50 0 IFAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012888120 521905934 /nfs/dbraw/zinc/90/59/34/521905934.db2.gz VHRMTCWTLDNSQQ-UHFFFAOYSA-N 1 0 433.549 2.992 50 0 IFAARO COc1cc(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000032974296 522069210 /nfs/dbraw/zinc/06/92/10/522069210.db2.gz RYRBOSDVNQYTDQ-UHFFFAOYSA-N 1 0 447.576 2.557 50 0 IFAARO COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020999277 522381378 /nfs/dbraw/zinc/38/13/78/522381378.db2.gz AWPVZIKVMVDDLP-IBGZPJMESA-N 1 0 426.001 2.796 50 0 IFAARO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012091995 522464289 /nfs/dbraw/zinc/46/42/89/522464289.db2.gz ZHBNVPYDFRFDCD-SFHVURJKSA-N 1 0 435.590 2.885 50 0 IFAARO CC[C@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1CCN1CCOCC1)[NH+](C)C ZINC000012897556 522977870 /nfs/dbraw/zinc/97/78/70/522977870.db2.gz RYOFMDZERJLQMB-OAQYLSRUSA-N 1 0 444.649 2.775 50 0 IFAARO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000021794645 523786869 /nfs/dbraw/zinc/78/68/69/523786869.db2.gz MONCZKJXMNMWBG-UHFFFAOYSA-N 1 0 447.605 2.668 50 0 IFAARO COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CCOCC3)s2)c(OC)c1 ZINC000020576764 523976361 /nfs/dbraw/zinc/97/63/61/523976361.db2.gz DINLGSAAIZMRNO-UHFFFAOYSA-N 1 0 429.546 2.515 50 0 IFAARO COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012439841 524008561 /nfs/dbraw/zinc/00/85/61/524008561.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 1 0 440.544 2.890 50 0 IFAARO COc1cccc([C@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 ZINC000022804906 524161330 /nfs/dbraw/zinc/16/13/30/524161330.db2.gz CWRNNFDPHSSPLM-OFNKIYASSA-N 1 0 446.617 2.795 50 0 IFAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1ccc(C)cc12 ZINC000035877606 524238488 /nfs/dbraw/zinc/23/84/88/524238488.db2.gz YSPQCOHYEDVYBI-IUMUCNKYSA-N 1 0 429.904 2.802 50 0 IFAARO COc1ccccc1-n1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000020783221 524303376 /nfs/dbraw/zinc/30/33/76/524303376.db2.gz BNZBUOGBGBFWCP-QHCPKHFHSA-N 1 0 441.620 2.622 50 0 IFAARO Cc1cc(C)c(OC[C@@H](O)C[N@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000020807844 524310663 /nfs/dbraw/zinc/31/06/63/524310663.db2.gz CQQPPAXBZHIFBR-PKTZIBPZSA-N 1 0 426.557 2.662 50 0 IFAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000021534395 524383319 /nfs/dbraw/zinc/38/33/19/524383319.db2.gz FZHJDCBFMIKVKM-UHFFFAOYSA-N 1 0 443.613 2.933 50 0 IFAARO Cc1cccc(C[NH+]2CCC(CNS(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c1 ZINC000020491775 524386406 /nfs/dbraw/zinc/38/64/06/524386406.db2.gz UECWJEUPZYIGFO-UHFFFAOYSA-N 1 0 443.569 2.825 50 0 IFAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000020611469 524444722 /nfs/dbraw/zinc/44/47/22/524444722.db2.gz HJECLTDIELNFIK-MASGSYHESA-N 1 0 433.508 2.662 50 0 IFAARO Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000012836805 524460938 /nfs/dbraw/zinc/46/09/38/524460938.db2.gz UMEUWCNCOFWTKH-QFIPXVFZSA-N 1 0 426.605 2.600 50 0 IFAARO C[C@@H](C[N@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012097943 524632455 /nfs/dbraw/zinc/63/24/55/524632455.db2.gz FREKWMRLBGUJCC-IBGZPJMESA-N 1 0 435.547 2.980 50 0 IFAARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796424 524740389 /nfs/dbraw/zinc/74/03/89/524740389.db2.gz CYICFKJTZOBDPF-HXUWFJFHSA-N 1 0 432.927 2.831 50 0 IFAARO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795124 524858192 /nfs/dbraw/zinc/85/81/92/524858192.db2.gz KZQJSHMARJUSEI-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000015972121 524863490 /nfs/dbraw/zinc/86/34/90/524863490.db2.gz WWVKMMNZJNDWBR-BNFUDPRMSA-N 1 0 445.903 2.502 50 0 IFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCNC(=O)C2(C)C)c1 ZINC000012458397 524926654 /nfs/dbraw/zinc/92/66/54/524926654.db2.gz BGWPNEZBVBXWFD-UHFFFAOYSA-N 1 0 429.561 2.832 50 0 IFAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1Cl ZINC000022796411 525005811 /nfs/dbraw/zinc/00/58/11/525005811.db2.gz LSYIJQYPSQGWLT-HXUWFJFHSA-N 1 0 432.927 2.831 50 0 IFAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012465818 525062673 /nfs/dbraw/zinc/06/26/73/525062673.db2.gz TVRKVEZRLHAHRR-SFHVURJKSA-N 1 0 432.542 2.657 50 0 IFAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000022766332 525109233 /nfs/dbraw/zinc/10/92/33/525109233.db2.gz CPAZGKLGQUHPGE-OAQYLSRUSA-N 1 0 437.569 2.648 50 0 IFAARO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012619219 525137781 /nfs/dbraw/zinc/13/77/81/525137781.db2.gz YMIARIYMSZAXIZ-TZYHBYERSA-N 1 0 431.540 2.611 50 0 IFAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000012768538 525184441 /nfs/dbraw/zinc/18/44/41/525184441.db2.gz BJYKZRMSYPHYEA-HXUWFJFHSA-N 1 0 432.546 2.691 50 0 IFAARO Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](C(C)C)CC2)CC(=O)N(Cc2ccncc2)C1=O ZINC000020455467 525448832 /nfs/dbraw/zinc/44/88/32/525448832.db2.gz ZDNLPSLIXFWILH-SANMLTNESA-N 1 0 448.567 2.530 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)N1CCC([NH+]3CCCCC3)CC1)nc2C ZINC000020563159 525936193 /nfs/dbraw/zinc/93/61/93/525936193.db2.gz RBPPIRHWGVJEOX-UHFFFAOYSA-N 1 0 448.571 2.676 50 0 IFAARO c1cc2c(c(C[N@H+]3CCC[C@@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601143 526437908 /nfs/dbraw/zinc/43/79/08/526437908.db2.gz AAPAEUQGIOSHDO-OAQYLSRUSA-N 1 0 437.540 2.926 50 0 IFAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 ZINC000012701353 526594988 /nfs/dbraw/zinc/59/49/88/526594988.db2.gz DLDBIPUTIOBDNE-GOSISDBHSA-N 1 0 436.512 2.587 50 0 IFAARO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1)Nc1ccc(F)cc1 ZINC000035278989 526761829 /nfs/dbraw/zinc/76/18/29/526761829.db2.gz HYLLAVXULLTION-IBGZPJMESA-N 1 0 430.549 2.807 50 0 IFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccncc1 ZINC000020450815 526839684 /nfs/dbraw/zinc/83/96/84/526839684.db2.gz NZWKLSOQWBVJFH-UHFFFAOYSA-N 1 0 446.433 2.560 50 0 IFAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]CCN3CCOCC3)CC2)cc1 ZINC000020906623 526985676 /nfs/dbraw/zinc/98/56/76/526985676.db2.gz CKFSDFPTFNNQHT-UHFFFAOYSA-N 1 0 438.572 2.595 50 0 IFAARO O=C1C[C@@H]([NH2+]CCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000020458083 527019955 /nfs/dbraw/zinc/01/99/55/527019955.db2.gz AMGBDWDUFPVZLA-OAQYLSRUSA-N 1 0 444.938 2.913 50 0 IFAARO O=C(Cn1nc(Cl)ccc1=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012021774 527415204 /nfs/dbraw/zinc/41/52/04/527415204.db2.gz LYJJJLJRZYNJBP-IBGZPJMESA-N 1 0 436.984 2.559 50 0 IFAARO O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024573634 527428286 /nfs/dbraw/zinc/42/82/86/527428286.db2.gz OVSMPSJOTBHDPU-UHFFFAOYSA-N 1 0 430.487 2.977 50 0 IFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000040744403 527580356 /nfs/dbraw/zinc/58/03/56/527580356.db2.gz BHDKUGVAEYOUQM-UHFFFAOYSA-N 1 0 446.305 2.513 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000033260419 527663756 /nfs/dbraw/zinc/66/37/56/527663756.db2.gz VVDLDYWGLOWQHM-UHFFFAOYSA-N 1 0 447.587 3.000 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423376 527664755 /nfs/dbraw/zinc/66/47/55/527664755.db2.gz FCHCJWFBNICUNT-UHFFFAOYSA-N 1 0 433.512 2.896 50 0 IFAARO Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000071889580 555725671 /nfs/dbraw/zinc/72/56/71/555725671.db2.gz KVIVSTRFLNAXJF-SFHVURJKSA-N 1 0 431.540 2.995 50 0 IFAARO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668028 555792059 /nfs/dbraw/zinc/79/20/59/555792059.db2.gz SHQUVPCXNPAAJC-JYLQPTBZSA-N 1 0 437.588 2.557 50 0 IFAARO CC[NH+](CC)C[C@@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668026 555792131 /nfs/dbraw/zinc/79/21/31/555792131.db2.gz OVCLRTJVIBIKQS-UQNNOOFXSA-N 1 0 437.588 2.558 50 0 IFAARO CC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677098 555794958 /nfs/dbraw/zinc/79/49/58/555794958.db2.gz PSLRNECIFNXIPL-KRWDZBQOSA-N 1 0 440.466 2.512 50 0 IFAARO COc1c(C)cc(-c2ccc3nc(C(=O)NCCCN4CC[NH+](C)CC4)cn3c2)cc1C ZINC000034831186 555912253 /nfs/dbraw/zinc/91/22/53/555912253.db2.gz PKRPUWRDTJNCFQ-UHFFFAOYSA-N 1 0 435.572 2.994 50 0 IFAARO CCC(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1 ZINC000034834507 555913927 /nfs/dbraw/zinc/91/39/27/555913927.db2.gz PNROXJWNGHXPKF-UHFFFAOYSA-N 1 0 431.556 2.847 50 0 IFAARO COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000008400266 556165909 /nfs/dbraw/zinc/16/59/09/556165909.db2.gz DSCNMZQUMOIXTK-RGEXLXHISA-N 1 0 444.329 2.660 50 0 IFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000008770331 556213358 /nfs/dbraw/zinc/21/33/58/556213358.db2.gz QBFIHIMIERYUPQ-OAQYLSRUSA-N 1 0 435.480 2.817 50 0 IFAARO CC1(C)CC(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC(C)(C)[NH2+]1 ZINC000013689253 556278630 /nfs/dbraw/zinc/27/86/30/556278630.db2.gz FGUGJVOXBBWTNE-UHFFFAOYSA-N 1 0 426.561 2.927 50 0 IFAARO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000009933866 556317232 /nfs/dbraw/zinc/31/72/32/556317232.db2.gz AIPMWMAWCQNJRO-FQEVSTJZSA-N 1 0 441.915 2.875 50 0 IFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032761332 556331538 /nfs/dbraw/zinc/33/15/38/556331538.db2.gz IJWMSYXUGFWSMN-FUHWJXTLSA-N 1 0 441.553 2.826 50 0 IFAARO COc1ccc(-c2noc(CN3CCC([NH+]4CCSCC4)CC3)n2)c(OC)c1OC ZINC000011661961 556343624 /nfs/dbraw/zinc/34/36/24/556343624.db2.gz ZLZTXFRYBNDIRJ-UHFFFAOYSA-N 1 0 434.562 2.776 50 0 IFAARO CCN1CCN(C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)C1=O ZINC000011821212 556362775 /nfs/dbraw/zinc/36/27/75/556362775.db2.gz BVXZLILZBBKJQO-IBGZPJMESA-N 1 0 436.556 2.818 50 0 IFAARO CCCn1cc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c(C)n1 ZINC000011821760 556362798 /nfs/dbraw/zinc/36/27/98/556362798.db2.gz YXXAUDFSVMGEFC-UHFFFAOYSA-N 1 0 438.620 2.989 50 0 IFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000014111374 556369858 /nfs/dbraw/zinc/36/98/58/556369858.db2.gz DWLKGHNZUKMITA-MRXNPFEDSA-N 1 0 447.523 2.707 50 0 IFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CCn2cncn2)CC1 ZINC000011945167 556379970 /nfs/dbraw/zinc/37/99/70/556379970.db2.gz WYOASAYYPGKFRW-HSZRJFAPSA-N 1 0 425.577 2.896 50 0 IFAARO COc1cc2nc(N(C)C)c(CN(CC[NH+](C)C)C(=O)C(C)C)cc2c(OC)c1OC ZINC000011971539 556382547 /nfs/dbraw/zinc/38/25/47/556382547.db2.gz DJZMFYRENVDTFL-UHFFFAOYSA-N 1 0 432.565 2.873 50 0 IFAARO CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc4nsnc4c2)CC3)CC1 ZINC000012030765 556388466 /nfs/dbraw/zinc/38/84/66/556388466.db2.gz ZVOLUDXNKCZSIV-KRWDZBQOSA-N 1 0 443.573 2.594 50 0 IFAARO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000014247755 556407452 /nfs/dbraw/zinc/40/74/52/556407452.db2.gz WZHYIHLVTGQEFG-JOCHJYFZSA-N 1 0 445.585 2.709 50 0 IFAARO COc1ccc(OCCN2CC[NH+](CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000032819355 556411934 /nfs/dbraw/zinc/41/19/34/556411934.db2.gz DICAPLXIQADUJB-UHFFFAOYSA-N 1 0 437.540 2.768 50 0 IFAARO COC(=O)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C3Cc4ccccc4C3)CC2)C1=O ZINC000014530478 556419982 /nfs/dbraw/zinc/41/99/82/556419982.db2.gz BGIMXJCPCHEQLP-UHFFFAOYSA-N 1 0 447.535 2.626 50 0 IFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@H](C)CSC)CC2 ZINC000014531905 556420592 /nfs/dbraw/zinc/42/05/92/556420592.db2.gz SOWPEYVPLLWVHE-GOSISDBHSA-N 1 0 434.606 2.511 50 0 IFAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014538316 556424365 /nfs/dbraw/zinc/42/43/65/556424365.db2.gz DCBWURWTCFEVHQ-HXUWFJFHSA-N 1 0 436.556 2.958 50 0 IFAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000014538057 556424408 /nfs/dbraw/zinc/42/44/08/556424408.db2.gz DOLKSXAHFNSDMM-UHFFFAOYSA-N 1 0 427.501 2.734 50 0 IFAARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](C1CCOCC1)CC2 ZINC000014540247 556425257 /nfs/dbraw/zinc/42/52/57/556425257.db2.gz JYQFUAVMTBEJFP-UHFFFAOYSA-N 1 0 445.560 2.510 50 0 IFAARO CCOc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012985053 556426230 /nfs/dbraw/zinc/42/62/30/556426230.db2.gz AHQXKFJHYDKIRS-SFHVURJKSA-N 1 0 438.557 2.544 50 0 IFAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014543092 556426418 /nfs/dbraw/zinc/42/64/18/556426418.db2.gz FMBYUOUYMWRDOD-UHFFFAOYSA-N 1 0 425.533 2.556 50 0 IFAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014543089 556426475 /nfs/dbraw/zinc/42/64/75/556426475.db2.gz CUDNTVJMHQIONA-UHFFFAOYSA-N 1 0 426.517 2.553 50 0 IFAARO CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 ZINC000014733341 556437460 /nfs/dbraw/zinc/43/74/60/556437460.db2.gz UUYJRITWWVESAI-UHFFFAOYSA-N 1 0 449.555 2.901 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC000014740532 556438048 /nfs/dbraw/zinc/43/80/48/556438048.db2.gz GMNJWSUANSTHJD-SFHVURJKSA-N 1 0 432.515 2.937 50 0 IFAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000014742742 556439340 /nfs/dbraw/zinc/43/93/40/556439340.db2.gz CDXMPALMLLIPKI-UHFFFAOYSA-N 1 0 436.512 2.583 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014745391 556440692 /nfs/dbraw/zinc/44/06/92/556440692.db2.gz OEVLKBBMZZJCHU-HXUWFJFHSA-N 1 0 428.552 2.840 50 0 IFAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cn1 ZINC000014746512 556441514 /nfs/dbraw/zinc/44/15/14/556441514.db2.gz UFRYZUVGBOIJHB-UHFFFAOYSA-N 1 0 444.539 2.814 50 0 IFAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(F)c3)CC2)c(C)c1 ZINC000013031453 556442602 /nfs/dbraw/zinc/44/26/02/556442602.db2.gz ONEUGIPYIOJFLY-GOSISDBHSA-N 1 0 433.549 2.626 50 0 IFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014751798 556443750 /nfs/dbraw/zinc/44/37/50/556443750.db2.gz YFBLGIJBWRPICZ-LJQANCHMSA-N 1 0 428.552 2.840 50 0 IFAARO COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[NH+]3CCCCCC3)C2=O)cc1OC ZINC000013061884 556450737 /nfs/dbraw/zinc/45/07/37/556450737.db2.gz CCSYLHAFTJVFBH-RGEXLXHISA-N 1 0 447.557 2.732 50 0 IFAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000014884875 556454792 /nfs/dbraw/zinc/45/47/92/556454792.db2.gz KQNNUVJIKMXBQR-FQEVSTJZSA-N 1 0 436.560 2.734 50 0 IFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccsc1 ZINC000029140644 556468515 /nfs/dbraw/zinc/46/85/15/556468515.db2.gz DAXDLBLFBOMVMG-MRXNPFEDSA-N 1 0 427.617 2.629 50 0 IFAARO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1OC1CCN(C(C)=O)CC1 ZINC000014977361 556469175 /nfs/dbraw/zinc/46/91/75/556469175.db2.gz AFASIOATWUACHT-UHFFFAOYSA-N 1 0 429.561 2.785 50 0 IFAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C[C@H]1CCCN(c2ncccn2)C1 ZINC000014985663 556472267 /nfs/dbraw/zinc/47/22/67/556472267.db2.gz PLSCSHGKHPIHCL-PZJWPPBQSA-N 1 0 441.551 2.882 50 0 IFAARO C[NH+](C)CC(C)(C)CNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O ZINC000014987090 556473102 /nfs/dbraw/zinc/47/31/02/556473102.db2.gz PQXZZWTWDGHZKS-UHFFFAOYSA-N 1 0 430.593 2.907 50 0 IFAARO CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000014994621 556477181 /nfs/dbraw/zinc/47/71/81/556477181.db2.gz RZLBKDOCTSUOEQ-IBGZPJMESA-N 1 0 449.555 2.991 50 0 IFAARO CCCc1c(C(=O)NCC[NH+](CC)CC)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000014996958 556478204 /nfs/dbraw/zinc/47/82/04/556478204.db2.gz WBDZWWANMKCYMH-UHFFFAOYSA-N 1 0 427.545 2.958 50 0 IFAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000015004572 556481088 /nfs/dbraw/zinc/48/10/88/556481088.db2.gz GCAMTECWBGQFFQ-QFIPXVFZSA-N 1 0 437.540 2.771 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)Cc1ccccc1 ZINC000029918190 556486494 /nfs/dbraw/zinc/48/64/94/556486494.db2.gz VLSNOFAKOPXVJL-NRFANRHFSA-N 1 0 429.586 2.692 50 0 IFAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)cc1 ZINC000015062463 556490631 /nfs/dbraw/zinc/49/06/31/556490631.db2.gz NKUHXQLROQTRSU-IBGZPJMESA-N 1 0 426.513 2.889 50 0 IFAARO O=C(/C=C/c1ccccc1)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000015065401 556492356 /nfs/dbraw/zinc/49/23/56/556492356.db2.gz ZHTJPQNLMIBDHB-UPWIVDSGSA-N 1 0 425.573 2.698 50 0 IFAARO COc1ccc([C@H](CNC(=O)C[NH+]2CCC(C(N)=O)CC2)c2c[nH]c3ccccc32)cc1 ZINC000013164346 556496506 /nfs/dbraw/zinc/49/65/06/556496506.db2.gz RQMUTTJICFBECV-NRFANRHFSA-N 1 0 434.540 2.622 50 0 IFAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCN3CC[NH+](C)CC3)cc1CC2 ZINC000022937876 556507158 /nfs/dbraw/zinc/50/71/58/556507158.db2.gz RDBDRQKCRGCRHX-UHFFFAOYSA-N 1 0 435.597 2.985 50 0 IFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013572488 556522803 /nfs/dbraw/zinc/52/28/03/556522803.db2.gz KBYNEFDHULKTTC-JJNNYRRPSA-N 1 0 434.334 2.624 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000013574779 556525047 /nfs/dbraw/zinc/52/50/47/556525047.db2.gz OGPXOPVGYZCTOV-KKPNIWNPSA-N 1 0 447.535 2.772 50 0 IFAARO CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000015617886 556538698 /nfs/dbraw/zinc/53/86/98/556538698.db2.gz DEWKZEMXYJSELE-UHFFFAOYSA-N 1 0 430.574 2.687 50 0 IFAARO CC(C)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022146 556575398 /nfs/dbraw/zinc/57/53/98/556575398.db2.gz TUBRIGMLJAQQEY-NAZDKBRTSA-N 1 0 435.499 2.835 50 0 IFAARO NC(=O)c1cc([C@@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000022589464 556578243 /nfs/dbraw/zinc/57/82/43/556578243.db2.gz MUDKZNGUXRBVIH-FPOVZHCZSA-N 1 0 434.492 2.828 50 0 IFAARO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000034890270 556585841 /nfs/dbraw/zinc/58/58/41/556585841.db2.gz DVUMDQULNYOVSO-REWPJTCUSA-N 1 0 437.540 2.946 50 0 IFAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(C)C)c1 ZINC000032986424 556605972 /nfs/dbraw/zinc/60/59/72/556605972.db2.gz NEBZSJIUDGVDKL-OFNKIYASSA-N 1 0 439.556 2.849 50 0 IFAARO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000032987096 556606930 /nfs/dbraw/zinc/60/69/30/556606930.db2.gz QEFRGLWEHCVQMW-UHFFFAOYSA-N 1 0 433.603 2.934 50 0 IFAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCCOc2ccccc2)cc1 ZINC000016695781 556628877 /nfs/dbraw/zinc/62/88/77/556628877.db2.gz RGEOALJWWKBPNY-GOSISDBHSA-N 1 0 433.574 2.563 50 0 IFAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000016780773 556641615 /nfs/dbraw/zinc/64/16/15/556641615.db2.gz LNESYVHTWIACKE-UHFFFAOYSA-N 1 0 445.585 2.908 50 0 IFAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000018223028 556687712 /nfs/dbraw/zinc/68/77/12/556687712.db2.gz QBFIHIMIERYUPQ-NRFANRHFSA-N 1 0 435.480 2.817 50 0 IFAARO CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000033033183 556713826 /nfs/dbraw/zinc/71/38/26/556713826.db2.gz JLGPTFZHSOSIQZ-UHFFFAOYSA-N 1 0 430.574 2.687 50 0 IFAARO CCOC(=O)N1CCC([N@@H+]2CCOc3ccc(CN4CCC[C@H]4C(=O)OC)cc3C2)CC1 ZINC000055091075 556734427 /nfs/dbraw/zinc/73/44/27/556734427.db2.gz CMXAVRLJTREIDB-NRFANRHFSA-N 1 0 445.560 2.639 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000079054119 556738173 /nfs/dbraw/zinc/73/81/73/556738173.db2.gz WGXOMGVFFROYDG-UZLBHIALSA-N 1 0 433.549 2.716 50 0 IFAARO Cc1nc2ccccn2c1CN1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019369090 556747149 /nfs/dbraw/zinc/74/71/49/556747149.db2.gz YXOAOMNSJQMIOX-NRFANRHFSA-N 1 0 428.964 2.991 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC000058144314 556761419 /nfs/dbraw/zinc/76/14/19/556761419.db2.gz YAOHMCBUQAKYRN-XVTZWQNCSA-N 1 0 426.561 2.501 50 0 IFAARO CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000058166279 556766505 /nfs/dbraw/zinc/76/65/05/556766505.db2.gz BWKPGIDAJORUFY-QPPBQGQZSA-N 1 0 443.636 2.629 50 0 IFAARO C[C@@H]1CN(c2ccc(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@H](C)O1 ZINC000058305110 556778732 /nfs/dbraw/zinc/77/87/32/556778732.db2.gz FLFBYGKGRXYZJP-LLGFUMIMSA-N 1 0 449.571 2.504 50 0 IFAARO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[NH+]2CCCC2)o1 ZINC000058307636 556779239 /nfs/dbraw/zinc/77/92/39/556779239.db2.gz VKUNGYINBAMXCC-MJGOQNOKSA-N 1 0 439.512 2.665 50 0 IFAARO CC(=O)N1c2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccccc3F)cc2C[C@@H]1C ZINC000059746234 556803918 /nfs/dbraw/zinc/80/39/18/556803918.db2.gz BPTAFGJYMGLVHJ-INIZCTEOSA-N 1 0 433.549 2.876 50 0 IFAARO CC[C@@H](C)[N@H+](CCNC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O)Cc1cccs1 ZINC000033068501 556823370 /nfs/dbraw/zinc/82/33/70/556823370.db2.gz UGWIQWDMOWJOMJ-QGZVFWFLSA-N 1 0 442.585 2.662 50 0 IFAARO COc1cc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc(OC)c1 ZINC000064800112 556827248 /nfs/dbraw/zinc/82/72/48/556827248.db2.gz SGFVYNGRZCTXQQ-UHFFFAOYSA-N 1 0 426.521 2.757 50 0 IFAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064800207 556827285 /nfs/dbraw/zinc/82/72/85/556827285.db2.gz UJCIQYOGALZVLP-UHFFFAOYSA-N 1 0 430.940 2.938 50 0 IFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000072403781 556827807 /nfs/dbraw/zinc/82/78/07/556827807.db2.gz IDEUZNWOMQDUOO-UHFFFAOYSA-N 1 0 443.519 2.883 50 0 IFAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 ZINC000019770326 556912837 /nfs/dbraw/zinc/91/28/37/556912837.db2.gz BVQUWTHEHWDWBU-FQEVSTJZSA-N 1 0 426.582 2.597 50 0 IFAARO COC(=O)Cn1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c2ccccc21 ZINC000019782033 556913623 /nfs/dbraw/zinc/91/36/23/556913623.db2.gz HNBQOBWXBMFPHI-QFIPXVFZSA-N 1 0 436.556 2.587 50 0 IFAARO CCOc1ccc(Nc2nc(N)nc(CN3CC[NH+](CCc4ccccc4)CC3)n2)cc1 ZINC000019899198 556941418 /nfs/dbraw/zinc/94/14/18/556941418.db2.gz ISSZDMOEAHNTIU-UHFFFAOYSA-N 1 0 433.560 2.956 50 0 IFAARO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283418 557005266 /nfs/dbraw/zinc/00/52/66/557005266.db2.gz JVCCLUXLGPXRNX-JOCHJYFZSA-N 1 0 426.561 2.808 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036255032 557005908 /nfs/dbraw/zinc/00/59/08/557005908.db2.gz BDVDLZAGTYETFJ-HSZRJFAPSA-N 1 0 444.595 2.744 50 0 IFAARO CSc1ncc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020387403 557012388 /nfs/dbraw/zinc/01/23/88/557012388.db2.gz SMPLUGVNMYOXFB-FQEVSTJZSA-N 1 0 441.601 2.709 50 0 IFAARO O=C1C(=O)N(CN2CC[NH+](Cc3cccc4ccccc43)CC2)C(=O)N1Cc1ccccc1 ZINC000022920229 557046954 /nfs/dbraw/zinc/04/69/54/557046954.db2.gz ZAFLKOCXPALSCI-UHFFFAOYSA-N 1 0 442.519 2.906 50 0 IFAARO CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CC[NH2+]CC1 ZINC000033275445 557054491 /nfs/dbraw/zinc/05/44/91/557054491.db2.gz LLKZOKGUVFBCOB-UHFFFAOYSA-N 1 0 430.574 2.572 50 0 IFAARO CCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N[C@H](C)CC)c2)cc1 ZINC000033275427 557054565 /nfs/dbraw/zinc/05/45/65/557054565.db2.gz HQIJPGUYMOTOLD-QGZVFWFLSA-N 1 0 444.601 2.988 50 0 IFAARO CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022961923 557054855 /nfs/dbraw/zinc/05/48/55/557054855.db2.gz WBMCDQRDTOUATK-HSZRJFAPSA-N 1 0 441.597 2.544 50 0 IFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)c1ccccc1 ZINC000048302622 557063946 /nfs/dbraw/zinc/06/39/46/557063946.db2.gz MNXXLNRTUYOERM-QFIPXVFZSA-N 1 0 432.524 2.823 50 0 IFAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1CO ZINC000023153281 557069391 /nfs/dbraw/zinc/06/93/91/557069391.db2.gz QGJZTMJWDPTNFN-QHCPKHFHSA-N 1 0 428.573 2.963 50 0 IFAARO COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)cc1N1CCCCC1=O ZINC000048368960 557075962 /nfs/dbraw/zinc/07/59/62/557075962.db2.gz ANPHFLYVOKNECW-XLIONFOSSA-N 1 0 430.549 2.835 50 0 IFAARO O=C(NCCCN1CCOCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000023366535 557088029 /nfs/dbraw/zinc/08/80/29/557088029.db2.gz JBBDKLLUYYQUPM-UHFFFAOYSA-N 1 0 438.572 2.577 50 0 IFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1 ZINC000033312824 557097225 /nfs/dbraw/zinc/09/72/25/557097225.db2.gz KUKJTSMSPFATRG-GBXCKJPGSA-N 1 0 426.605 2.589 50 0 IFAARO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)C2=O)cc1 ZINC000023737953 557112370 /nfs/dbraw/zinc/11/23/70/557112370.db2.gz TZAKCOCVUXEYLM-OFVILXPXSA-N 1 0 434.540 2.715 50 0 IFAARO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000010928545 557115577 /nfs/dbraw/zinc/11/55/77/557115577.db2.gz NPKUZDMQPYXPGS-UHFFFAOYSA-N 1 0 445.585 2.865 50 0 IFAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791817 557125555 /nfs/dbraw/zinc/12/55/55/557125555.db2.gz LSLXTBQKBXEZKX-KDURUIRLSA-N 1 0 448.567 2.925 50 0 IFAARO COc1cc(OCC(=O)N2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000095696418 557159944 /nfs/dbraw/zinc/15/99/44/557159944.db2.gz OIZFACGVQRLYET-SFHVURJKSA-N 1 0 428.529 2.867 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000096307052 557196622 /nfs/dbraw/zinc/19/66/22/557196622.db2.gz ODEGUFVMNIDHPZ-NRFANRHFSA-N 1 0 439.487 2.751 50 0 IFAARO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000025306379 557203128 /nfs/dbraw/zinc/20/31/28/557203128.db2.gz SPEJKAUHWHEELZ-JOCHJYFZSA-N 1 0 430.520 2.950 50 0 IFAARO COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604406314 557239917 /nfs/dbraw/zinc/23/99/17/557239917.db2.gz HEZKRMDSPADQAJ-SFHVURJKSA-N 1 0 441.484 2.540 50 0 IFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583647596 557241168 /nfs/dbraw/zinc/24/11/68/557241168.db2.gz NIKKGYQHKSLTQW-YADHBBJMSA-N 1 0 429.609 2.823 50 0 IFAARO Cc1noc(C)c1COc1cc(=O)n2c(c1C(=O)NCC[NH+]1CCCC1)CCCCC2 ZINC000583648778 557241543 /nfs/dbraw/zinc/24/15/43/557241543.db2.gz MCGMJKSKRCWITH-UHFFFAOYSA-N 1 0 428.533 2.584 50 0 IFAARO O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000084367728 557292971 /nfs/dbraw/zinc/29/29/71/557292971.db2.gz JXOCFVKRDRTFND-UHFFFAOYSA-N 1 0 449.039 2.609 50 0 IFAARO O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000222107721 557333890 /nfs/dbraw/zinc/33/38/90/557333890.db2.gz BCZWGPYRCXINJL-RTBURBONSA-N 1 0 435.446 2.981 50 0 IFAARO CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000014520401 557339240 /nfs/dbraw/zinc/33/92/40/557339240.db2.gz YBSWUVNSBKLPKM-JOCHJYFZSA-N 1 0 439.560 2.625 50 0 IFAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cccs1 ZINC000103395155 557436374 /nfs/dbraw/zinc/43/63/74/557436374.db2.gz OMSIGBGKVGXCAV-GOSISDBHSA-N 1 0 434.587 2.954 50 0 IFAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575316823 557462845 /nfs/dbraw/zinc/46/28/45/557462845.db2.gz HGRUCHIQNCPFPQ-HXUWFJFHSA-N 1 0 439.560 2.662 50 0 IFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012069477 557526089 /nfs/dbraw/zinc/52/60/89/557526089.db2.gz URKKWLGWUKQJNN-UHFFFAOYSA-N 1 0 434.462 2.972 50 0 IFAARO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc(I)c1 ZINC000107541839 557536029 /nfs/dbraw/zinc/53/60/29/557536029.db2.gz BWAAWVZMZQJGFK-LSDHHAIUSA-N 1 0 442.322 2.718 50 0 IFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCCCC3)CC2)c1C ZINC000045973978 557556087 /nfs/dbraw/zinc/55/60/87/557556087.db2.gz BYDXXGXSECEKPE-UHFFFAOYSA-N 1 0 446.592 2.653 50 0 IFAARO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)c1 ZINC000045974458 557556467 /nfs/dbraw/zinc/55/64/67/557556467.db2.gz AUTZJVBCYYMHCS-HXUWFJFHSA-N 1 0 429.586 2.530 50 0 IFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000225399891 557718502 /nfs/dbraw/zinc/71/85/02/557718502.db2.gz IAEJXRQTVRMJLD-UNMCSNQZSA-N 1 0 425.554 2.983 50 0 IFAARO CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000241719849 557846779 /nfs/dbraw/zinc/84/67/79/557846779.db2.gz QQCNNOCYOHXPDD-IBGZPJMESA-N 1 0 445.585 2.635 50 0 IFAARO O=C(C[S@@](=O)Cc1ccco1)NC/C=C/COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000003873059 557852529 /nfs/dbraw/zinc/85/25/29/557852529.db2.gz KMZQAVXSMUKBPD-WULZAJPDSA-N 1 0 431.558 2.661 50 0 in-vitro IFAARO CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000006669607 562948151 /nfs/dbraw/zinc/94/81/51/562948151.db2.gz DDOUYYSPIQZTQL-UHFFFAOYSA-N 1 0 425.570 2.652 50 0 IFAARO CCOc1cc(C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc(OCC)c1OCC ZINC000008973449 562966421 /nfs/dbraw/zinc/96/64/21/562966421.db2.gz FVYLFLRUBJERMQ-UHFFFAOYSA-N 1 0 428.533 2.883 50 0 IFAARO CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000019898746 563023251 /nfs/dbraw/zinc/02/32/51/563023251.db2.gz YBUROUGFUOVFDR-UPVQGACJSA-N 1 0 433.552 2.892 50 0 IFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC ZINC000015063603 568635313 /nfs/dbraw/zinc/63/53/13/568635313.db2.gz GEWMKPSQRACXPC-HSZRJFAPSA-N 1 0 427.549 2.590 50 0 IFAARO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)N(Cc2c(F)cccc2Cl)C1 ZINC000299757045 568755451 /nfs/dbraw/zinc/75/54/51/568755451.db2.gz HVHJYSFFKZLCPE-KDOFPFPSSA-N 1 0 439.988 2.626 50 0 IFAARO COCc1c(C(=O)NCC[NH+]2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299765909 568756256 /nfs/dbraw/zinc/75/62/56/568756256.db2.gz ZISLOSITNRZTIO-UHFFFAOYSA-N 1 0 446.555 2.790 50 0 IFAARO O=C1CO[C@H](CNc2cc(C(F)(F)F)ccn2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299775423 568756778 /nfs/dbraw/zinc/75/67/78/568756778.db2.gz JIWMVWQDWWMPQS-GOSISDBHSA-N 1 0 426.483 2.862 50 0 IFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000015678045 568805006 /nfs/dbraw/zinc/80/50/06/568805006.db2.gz UTXNXMGXCJNPGO-UHFFFAOYSA-N 1 0 429.524 2.913 50 0 IFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CCc3nnc4ccc(N5CCCC5)nn43)C2)cc1 ZINC000015678736 568805443 /nfs/dbraw/zinc/80/54/43/568805443.db2.gz RMZVLCGEOVQVQC-NRFANRHFSA-N 1 0 447.587 2.604 50 0 IFAARO CCCC[N@H+](CC)CCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777496 568824784 /nfs/dbraw/zinc/82/47/84/568824784.db2.gz NRVUEEWBHOFFOF-UHFFFAOYSA-N 1 0 436.626 2.510 50 0 IFAARO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777486 568824805 /nfs/dbraw/zinc/82/48/05/568824805.db2.gz AGTGTPCPOGVERB-UHFFFAOYSA-N 1 0 448.637 2.654 50 0 IFAARO C[NH+](C)CCNC(=O)CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000085875610 568838186 /nfs/dbraw/zinc/83/81/86/568838186.db2.gz SNVMPLZZNMWMOM-UHFFFAOYSA-N 1 0 429.524 2.642 50 0 IFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015969991 568861394 /nfs/dbraw/zinc/86/13/94/568861394.db2.gz WNYSZEZUHUALTK-MSZDEVHKSA-N 1 0 442.519 2.931 50 0 IFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 ZINC000575618633 568882339 /nfs/dbraw/zinc/88/23/39/568882339.db2.gz AITADXVVOJEXQA-IBGZPJMESA-N 1 0 434.496 2.917 50 0 IFAARO CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 ZINC000575621716 568883163 /nfs/dbraw/zinc/88/31/63/568883163.db2.gz RQMUBFYHAAUVMO-SFHVURJKSA-N 1 0 441.509 2.667 50 0 IFAARO C[NH+]1CCN(c2ccccc2CNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000089382781 568921337 /nfs/dbraw/zinc/92/13/37/568921337.db2.gz YBJYNGLEKTWXMR-UHFFFAOYSA-N 1 0 442.354 2.819 50 0 IFAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036095583 568951410 /nfs/dbraw/zinc/95/14/10/568951410.db2.gz OPZVTOXWQDQLPJ-QFIPXVFZSA-N 1 0 444.572 2.586 50 0 IFAARO O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036255037 568985030 /nfs/dbraw/zinc/98/50/30/568985030.db2.gz YENBAAVCRADHQO-HSZRJFAPSA-N 1 0 444.595 2.744 50 0 IFAARO CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(CC[NH+](C)C)C(=O)C2CC2)CC1 ZINC000036312216 568997505 /nfs/dbraw/zinc/99/75/05/568997505.db2.gz JFQUQGIUSDKSIC-UHFFFAOYSA-N 1 0 429.540 2.533 50 0 IFAARO CC(=O)N1CCCSc2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccco3)cc21 ZINC000064952281 568998115 /nfs/dbraw/zinc/99/81/15/568998115.db2.gz JXDHEPSQMOMPTC-UHFFFAOYSA-N 1 0 437.587 2.881 50 0 IFAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[N@@H+](C)C1CCCCC1)c2=O ZINC000064970766 569076425 /nfs/dbraw/zinc/07/64/25/569076425.db2.gz KKCOVTSPIBFTLJ-UHFFFAOYSA-N 1 0 436.560 2.580 50 0 IFAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025255 569090671 /nfs/dbraw/zinc/09/06/71/569090671.db2.gz SGYZVCIOKOVYBZ-UHFFFAOYSA-N 1 0 445.589 2.555 50 0 IFAARO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[NH+]2CCCCC2)cc1 ZINC000013112706 569092593 /nfs/dbraw/zinc/09/25/93/569092593.db2.gz KZGOWISMUYBLAA-QFIPXVFZSA-N 1 0 445.585 2.903 50 0 IFAARO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCC[NH+]1CCCC1 ZINC000065062031 569096918 /nfs/dbraw/zinc/09/69/18/569096918.db2.gz HVZWSQOYVQKFOG-UHFFFAOYSA-N 1 0 434.027 2.794 50 0 IFAARO CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cccc(F)c2)cc1 ZINC000065074877 569099296 /nfs/dbraw/zinc/09/92/96/569099296.db2.gz QAOCLNUWPJDSIG-UHFFFAOYSA-N 1 0 444.576 2.703 50 0 IFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(Cn3c(=O)oc4ccc(Cl)cc43)no2)C1 ZINC000065111849 569107783 /nfs/dbraw/zinc/10/77/83/569107783.db2.gz OGCMEQSUKYUWJE-CYBMUJFWSA-N 1 0 433.896 2.531 50 0 IFAARO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCC[C@H](C)[NH+]4CCCCCC4)n3)c2c1 ZINC000065111793 569107809 /nfs/dbraw/zinc/10/78/09/569107809.db2.gz YKVDQJDQWZOQPE-INIZCTEOSA-N 1 0 427.505 2.719 50 0 IFAARO CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(OC)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153567 569111978 /nfs/dbraw/zinc/11/19/78/569111978.db2.gz ADOPLMQYFPKFNL-UHFFFAOYSA-N 1 0 446.551 2.689 50 0 IFAARO COc1cc(=O)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccc(F)cc1 ZINC000065197932 569114893 /nfs/dbraw/zinc/11/48/93/569114893.db2.gz YFEPTTKILVKQIR-UHFFFAOYSA-N 1 0 436.487 2.775 50 0 IFAARO CCOC(=O)N1CCC(NC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256331 569123207 /nfs/dbraw/zinc/12/32/07/569123207.db2.gz GVZFWOSEHCEQBO-NRFANRHFSA-N 1 0 437.544 2.583 50 0 IFAARO O=C(NCC[NH+]1CCCC1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259862 569124861 /nfs/dbraw/zinc/12/48/61/569124861.db2.gz DXRMVYKGKPVUIH-QGZVFWFLSA-N 1 0 425.620 2.531 50 0 IFAARO CC1(C)CCc2cc(CC(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc2O1 ZINC000524731331 569126413 /nfs/dbraw/zinc/12/64/13/569126413.db2.gz TXOCNMXJFUASJB-CTNGQTDRSA-N 1 0 435.568 2.730 50 0 IFAARO CC(C)c1cccc2c(O)c(C(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cnc21 ZINC000524732172 569126827 /nfs/dbraw/zinc/12/68/27/569126827.db2.gz ANKGDPWSVSRYSJ-MSOLQXFVSA-N 1 0 446.551 2.662 50 0 IFAARO COc1ccc(Cn2c3cc(C(=O)NC4CC[NH+](C)CC4)ccc3n3nccc3c2=O)cc1 ZINC000065270987 569127804 /nfs/dbraw/zinc/12/78/04/569127804.db2.gz CZIJOSBRRSWMMB-UHFFFAOYSA-N 1 0 445.523 2.530 50 0 IFAARO Cc1scc2nc(C(=O)NCCCN3CC[NH+](C)CC3)nc(N3CCC(C)CC3)c12 ZINC000065283253 569130161 /nfs/dbraw/zinc/13/01/61/569130161.db2.gz ZLWZRWMVOYWRHN-UHFFFAOYSA-N 1 0 430.622 2.603 50 0 IFAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311519 569133708 /nfs/dbraw/zinc/13/37/08/569133708.db2.gz MWHMACIGVDVSFU-UHFFFAOYSA-N 1 0 437.588 2.500 50 0 IFAARO C[NH+](C)CCn1ccc2cc(NC(=O)CNC(=O)c3cnc4ccccc4c3O)ccc21 ZINC000065317324 569134419 /nfs/dbraw/zinc/13/44/19/569134419.db2.gz VQIIQCLLTFENRU-UHFFFAOYSA-N 1 0 431.496 2.825 50 0 IFAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4ccc(C(F)(F)F)cn43)C2)CC1 ZINC000065313015 569135097 /nfs/dbraw/zinc/13/50/97/569135097.db2.gz GFWGELBBQYDJKV-INIZCTEOSA-N 1 0 438.498 2.909 50 0 IFAARO Cn1ccnc1COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000065604810 569140088 /nfs/dbraw/zinc/14/00/88/569140088.db2.gz PYBYPTCGFQKWOP-HXUWFJFHSA-N 1 0 447.539 2.949 50 0 IFAARO C[C@@H](NC(=O)c1ccccc1CN1CCOCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000170591187 569140925 /nfs/dbraw/zinc/14/09/25/569140925.db2.gz JDNYXYVHOPMXQD-LJQANCHMSA-N 1 0 440.563 2.901 50 0 IFAARO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000170598139 569142231 /nfs/dbraw/zinc/14/22/31/569142231.db2.gz QRNTUWLEBDHYHH-UHFFFAOYSA-N 1 0 447.649 2.722 50 0 IFAARO COc1cccc([C@H](CNC(=O)[C@](N)(c2cccc(OC)c2)C(F)(F)F)[NH+](C)C)c1 ZINC000170607846 569144381 /nfs/dbraw/zinc/14/43/81/569144381.db2.gz XQEUTWSQYUMDLX-AZUAARDMSA-N 1 0 425.451 2.839 50 0 IFAARO COc1cccc([C@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)c1 ZINC000170607823 569144329 /nfs/dbraw/zinc/14/43/29/569144329.db2.gz NWJKFVIDYRMAAT-QUCCMNQESA-N 1 0 446.548 2.618 50 0 IFAARO COc1cccc([C@@H](CNC(=O)[C@](N)(c2cccc(OC)c2)C(F)(F)F)[NH+](C)C)c1 ZINC000170607847 569144348 /nfs/dbraw/zinc/14/43/48/569144348.db2.gz XQEUTWSQYUMDLX-UYAOXDASSA-N 1 0 425.451 2.839 50 0 IFAARO O=C(CN1CCN(c2nccs2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000089813245 569165115 /nfs/dbraw/zinc/16/51/15/569165115.db2.gz JHZRFNMZHJJKDF-IBGZPJMESA-N 1 0 434.009 2.872 50 0 IFAARO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000089869476 569166493 /nfs/dbraw/zinc/16/64/93/569166493.db2.gz AYWWNOHXXVIZEQ-BEFAXECRSA-N 1 0 427.998 2.925 50 0 IFAARO CC[NH+](CC)[C@H](CNC(=O)CN1CCC(NC(=O)c2ccsc2)CC1)c1ccco1 ZINC000089967785 569169266 /nfs/dbraw/zinc/16/92/66/569169266.db2.gz ZPMPRVIVAKMKEW-LJQANCHMSA-N 1 0 432.590 2.735 50 0 IFAARO CC[NH+]1CCN([C@@H]2CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 ZINC000089977317 569169366 /nfs/dbraw/zinc/16/93/66/569169366.db2.gz WJGCXLAAYCGWTC-MRXNPFEDSA-N 1 0 437.491 2.558 50 0 IFAARO Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)c(C)c1 ZINC000016994175 569169819 /nfs/dbraw/zinc/16/98/19/569169819.db2.gz JAZXWWHTTLDEQF-UHFFFAOYSA-N 1 0 429.590 2.821 50 0 IFAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1C ZINC000017010334 569170248 /nfs/dbraw/zinc/17/02/48/569170248.db2.gz ZMQRJFDLNDTOCL-UHFFFAOYSA-N 1 0 445.589 2.522 50 0 IFAARO C[C@@H]1CN(c2ccc(NC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 ZINC000252458403 569184442 /nfs/dbraw/zinc/18/44/42/569184442.db2.gz FLFBYGKGRXYZJP-LZJOCLMNSA-N 1 0 449.571 2.504 50 0 IFAARO COc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4cccc(F)c4)c(N)c32)c1 ZINC000037375954 569185449 /nfs/dbraw/zinc/18/54/49/569185449.db2.gz KXIAMVRTEVZVQU-UHFFFAOYSA-N 1 0 433.491 2.964 50 0 IFAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000252500169 569188059 /nfs/dbraw/zinc/18/80/59/569188059.db2.gz SOFMGXJUXZLLPU-MRXNPFEDSA-N 1 0 432.392 2.517 50 0 IFAARO CN1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@@H]1c1ccccc1 ZINC000252535850 569189876 /nfs/dbraw/zinc/18/98/76/569189876.db2.gz HANQKENKIZAUFV-GGAORHGYSA-N 1 0 438.597 2.849 50 0 IFAARO COc1cccc(C(=O)/N=c2\scc(C)n2Cc2ccc(C(=O)NCC[NH+](C)C)o2)c1 ZINC000037436202 569196098 /nfs/dbraw/zinc/19/60/98/569196098.db2.gz PIRPKWIJWLILSR-GYHWCHFESA-N 1 0 442.541 2.540 50 0 IFAARO C[NH+](C)CCN(C[C@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037609441 569202938 /nfs/dbraw/zinc/20/29/38/569202938.db2.gz ZTYKTEISCBIULR-NRFANRHFSA-N 1 0 431.483 2.510 50 0 IFAARO C[N@@H+]1CCN(CCNC(=O)c2nc(N3CCCCC3)ncc2Cl)[C@@H](c2ccccc2)C1 ZINC000195529409 569204249 /nfs/dbraw/zinc/20/42/49/569204249.db2.gz VHEZNOCSVZFTEW-HXUWFJFHSA-N 1 0 442.995 2.839 50 0 IFAARO O=C(C1CCOCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819797 569211567 /nfs/dbraw/zinc/21/15/67/569211567.db2.gz LORBMVAGJHDTIN-QHCPKHFHSA-N 1 0 427.589 2.775 50 0 IFAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)CC1 ZINC000581819784 569211616 /nfs/dbraw/zinc/21/16/16/569211616.db2.gz KTGDRHRRYYRDOF-NRFANRHFSA-N 1 0 435.634 2.663 50 0 IFAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1 ZINC000581819759 569211639 /nfs/dbraw/zinc/21/16/39/569211639.db2.gz ISHUWGVPJPVWML-OAQYLSRUSA-N 1 0 433.568 2.771 50 0 IFAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1 ZINC000581819758 569211647 /nfs/dbraw/zinc/21/16/47/569211647.db2.gz ISHUWGVPJPVWML-NRFANRHFSA-N 1 0 433.568 2.771 50 0 IFAARO O=C(Cc1cccnc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820145 569211820 /nfs/dbraw/zinc/21/18/20/569211820.db2.gz UQGUKWZMCIGDFD-XMMPIXPASA-N 1 0 434.584 2.987 50 0 IFAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCN(C(=O)N(CC)CC)C1 ZINC000078947410 569320370 /nfs/dbraw/zinc/32/03/70/569320370.db2.gz GNHSWJLIBDRYNL-LJQANCHMSA-N 1 0 445.608 2.949 50 0 IFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)N1CCN(Cc2ccccc2)CC1 ZINC000079484666 569330976 /nfs/dbraw/zinc/33/09/76/569330976.db2.gz JPZXCPIVQBKKDC-UHFFFAOYSA-N 1 0 439.556 2.739 50 0 IFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Cn3c4ccccc4oc3=O)cc12 ZINC000020114444 569334786 /nfs/dbraw/zinc/33/47/86/569334786.db2.gz CJDCYAXUWOPOBC-UHFFFAOYSA-N 1 0 431.496 2.842 50 0 IFAARO CC[NH+]1CCN(CC(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)CC1 ZINC000020405426 569363812 /nfs/dbraw/zinc/36/38/12/569363812.db2.gz WHYSMOICDDPQDN-UHFFFAOYSA-N 1 0 425.552 2.728 50 0 IFAARO O=C(CN(C1CC1)S(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000095431835 569366341 /nfs/dbraw/zinc/36/63/41/569366341.db2.gz CWSMNEYLLHLNEW-OAQYLSRUSA-N 1 0 431.533 2.833 50 0 IFAARO O=S(=O)(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc2cccnc21 ZINC000095433130 569366502 /nfs/dbraw/zinc/36/65/02/569366502.db2.gz MCIMAEJUAXZTTF-NRFANRHFSA-N 1 0 425.554 2.959 50 0 IFAARO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC000095458812 569369175 /nfs/dbraw/zinc/36/91/75/569369175.db2.gz GYSQOAHUZRLXGZ-UHFFFAOYSA-N 1 0 429.586 2.628 50 0 IFAARO CC(C)[C@H](C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)N1CCCC1=O ZINC000095460266 569369635 /nfs/dbraw/zinc/36/96/35/569369635.db2.gz GMDLLBWOFMZYRL-YOSAUDMPSA-N 1 0 429.605 2.959 50 0 IFAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000095477422 569373258 /nfs/dbraw/zinc/37/32/58/569373258.db2.gz QMQROJKJKXFJNV-DHZHZOJOSA-N 1 0 436.600 2.908 50 0 IFAARO COc1ccccc1-c1ccc(=O)n(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000095479291 569373651 /nfs/dbraw/zinc/37/36/51/569373651.db2.gz YLQOCQRQYZWUNC-UHFFFAOYSA-N 1 0 432.524 2.700 50 0 IFAARO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12 ZINC000096024220 569380578 /nfs/dbraw/zinc/38/05/78/569380578.db2.gz CKTBFONTGAHIOX-CSKARUKUSA-N 1 0 446.507 2.551 50 0 IFAARO Cc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)c(=O)n1C ZINC000096116539 569383780 /nfs/dbraw/zinc/38/37/80/569383780.db2.gz OMGUYGIAYUSWIS-SIKLNZKXSA-N 1 0 436.556 2.940 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000096344259 569397045 /nfs/dbraw/zinc/39/70/45/569397045.db2.gz YFJYUYZYERXWEV-KRWDZBQOSA-N 1 0 435.503 2.836 50 0 IFAARO Cc1cc(C)c2c(n1)nc(C(=O)N1CC[NH+](C3CCCCC3)CC1)nc2N1CCOCC1 ZINC000096396790 569399239 /nfs/dbraw/zinc/39/92/39/569399239.db2.gz UIZKOZNBUGRNLW-UHFFFAOYSA-N 1 0 438.576 2.569 50 0 IFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ncnc(N3CCOCC3)c2c1 ZINC000096399986 569400229 /nfs/dbraw/zinc/40/02/29/569400229.db2.gz NKOULXDPSBQVPU-UHFFFAOYSA-N 1 0 431.540 2.861 50 0 IFAARO Cc1nn(CC(=O)NCC[NH+]2CCCCCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400179 569400346 /nfs/dbraw/zinc/40/03/46/569400346.db2.gz MJAHFXVZLPBEMF-UHFFFAOYSA-N 1 0 425.558 2.821 50 0 IFAARO C[N@H+](CCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)Cc1ccccc1 ZINC000003046188 569438700 /nfs/dbraw/zinc/43/87/00/569438700.db2.gz ICQQRPNXZZLVJF-HSZRJFAPSA-N 1 0 431.540 2.652 50 0 IFAARO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000058108610 569447592 /nfs/dbraw/zinc/44/75/92/569447592.db2.gz YRZOLVNRTJRXNQ-QFIPXVFZSA-N 1 0 429.586 2.789 50 0 IFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000058144030 569448803 /nfs/dbraw/zinc/44/88/03/569448803.db2.gz VDHBIFFCUGKQIW-XVTZWQNCSA-N 1 0 426.561 2.501 50 0 IFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1 ZINC000058154950 569448939 /nfs/dbraw/zinc/44/89/39/569448939.db2.gz OPWQAKZKBOBBKO-QZTJIDSGSA-N 1 0 426.561 2.645 50 0 IFAARO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000058162611 569449393 /nfs/dbraw/zinc/44/93/93/569449393.db2.gz XEWYNQYWHJLPIH-SFHVURJKSA-N 1 0 427.636 2.695 50 0 IFAARO CN(CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003439258 569451112 /nfs/dbraw/zinc/45/11/12/569451112.db2.gz IQBXTPDWUBAFOA-QGZVFWFLSA-N 1 0 425.938 2.507 50 0 IFAARO C[N@@H+]1CCCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1 ZINC000003455659 569451764 /nfs/dbraw/zinc/45/17/64/569451764.db2.gz CRASDDHLSDMQQP-UHFFFAOYSA-N 1 0 428.602 2.867 50 0 IFAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000004083684 569458684 /nfs/dbraw/zinc/45/86/84/569458684.db2.gz QCCOGVDURJXZER-UWJYYQICSA-N 1 0 430.593 2.865 50 0 IFAARO Cc1ccc(-c2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)[nH]n2)cc1 ZINC000670458624 569459963 /nfs/dbraw/zinc/45/99/63/569459963.db2.gz FDYNUICYLLLGJG-CNKRIOBRSA-N 1 0 427.552 2.683 50 0 IFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)[nH+]1 ZINC000038488297 569463009 /nfs/dbraw/zinc/46/30/09/569463009.db2.gz BGNVQXJMCNNDGU-UHFFFAOYSA-N 1 0 433.940 2.661 50 0 IFAARO Cc1ccc(-n2c(=O)[nH]c3nc(N4CCC([NH+]5CCCCC5)CC4)ncc3c2=O)c(C)c1 ZINC000067264351 569466744 /nfs/dbraw/zinc/46/67/44/569466744.db2.gz QROZKBXZCLOLSN-UHFFFAOYSA-N 1 0 434.544 2.953 50 0 IFAARO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287276 569467228 /nfs/dbraw/zinc/46/72/28/569467228.db2.gz DZRATKYHBLYJOL-QFIPXVFZSA-N 1 0 444.551 2.947 50 0 IFAARO COc1cc(=O)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)nn1-c1ccc(F)c(F)c1 ZINC000067350199 569469042 /nfs/dbraw/zinc/46/90/42/569469042.db2.gz QEBLNYWMUMHZDF-UHFFFAOYSA-N 1 0 432.471 2.610 50 0 IFAARO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+]CCCN1CCOCC1)C[C@@H](C)CC2 ZINC000008709273 569470761 /nfs/dbraw/zinc/47/07/61/569470761.db2.gz LTTHSDCYRHEPRZ-HOTGVXAUSA-N 1 0 437.606 2.689 50 0 IFAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1ccc(Cl)cc1 ZINC000008709858 569470822 /nfs/dbraw/zinc/47/08/22/569470822.db2.gz LMVKNTKFEGHGRZ-UHFFFAOYSA-N 1 0 440.935 2.586 50 0 IFAARO CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)S(=O)(=O)c1cccs1 ZINC000039969265 569482129 /nfs/dbraw/zinc/48/21/29/569482129.db2.gz XCTQIYQEULTMKM-KRWDZBQOSA-N 1 0 442.006 2.975 50 0 IFAARO COc1ccc([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)[NH+]2CCCC2)cc1 ZINC000008895467 569483795 /nfs/dbraw/zinc/48/37/95/569483795.db2.gz PVALIBQTMCQQLG-QFIPXVFZSA-N 1 0 443.569 2.802 50 0 IFAARO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc(C(C)C)nc21 ZINC000040146759 569492352 /nfs/dbraw/zinc/49/23/52/569492352.db2.gz BDONJYRNUMUOSU-IAGOWNOFSA-N 1 0 443.592 2.716 50 0 IFAARO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000245225633 569499545 /nfs/dbraw/zinc/49/95/45/569499545.db2.gz ZTJMUDXYRNBCGF-JXFKEZNVSA-N 1 0 449.598 2.933 50 0 IFAARO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1ccsc1 ZINC000245225490 569499565 /nfs/dbraw/zinc/49/95/65/569499565.db2.gz VZTKCKDLXAETPI-UZLBHIALSA-N 1 0 449.598 2.933 50 0 IFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1 ZINC000245237933 569500433 /nfs/dbraw/zinc/50/04/33/569500433.db2.gz KUKJTSMSPFATRG-YKSBVNFPSA-N 1 0 426.605 2.589 50 0 IFAARO C[C@H]1Oc2ccccc2N(CCC(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)C1=O ZINC000069380023 569503605 /nfs/dbraw/zinc/50/36/05/569503605.db2.gz QKVREXIEZUCDHT-MRXNPFEDSA-N 1 0 433.512 2.852 50 0 IFAARO O=C(Cn1cc(C(=O)C(=O)NCCC[NH+]2CCCCC2)c2ccccc21)N1CCCCC1 ZINC000009519453 569544289 /nfs/dbraw/zinc/54/42/89/569544289.db2.gz XYXVPTJKMVZJGS-UHFFFAOYSA-N 1 0 438.572 2.829 50 0 IFAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009528404 569544708 /nfs/dbraw/zinc/54/47/08/569544708.db2.gz ZUAMXSYPLBZUQP-HXUWFJFHSA-N 1 0 435.615 2.832 50 0 IFAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009528442 569544721 /nfs/dbraw/zinc/54/47/21/569544721.db2.gz GNLQADVFUSAYGP-HXUWFJFHSA-N 1 0 435.615 2.616 50 0 IFAARO COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)cc1 ZINC000009622113 569553498 /nfs/dbraw/zinc/55/34/98/569553498.db2.gz ZCBJEOFIJSOBFO-UHFFFAOYSA-N 1 0 427.501 2.658 50 0 IFAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000009665356 569557520 /nfs/dbraw/zinc/55/75/20/569557520.db2.gz GJOLZHRPGPDNFT-PKOBYXMFSA-N 1 0 433.599 2.807 50 0 IFAARO CCN(CC)c1ccc2nnc(CCC(=O)NC[C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)n2n1 ZINC000009742731 569565404 /nfs/dbraw/zinc/56/54/04/569565404.db2.gz QZZCIOVTBQOSGL-OAQYLSRUSA-N 1 0 449.603 2.850 50 0 IFAARO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000009986824 569576789 /nfs/dbraw/zinc/57/67/89/569576789.db2.gz WBSLFVGEECBOAT-UHFFFAOYSA-N 1 0 447.645 2.814 50 0 IFAARO