smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020776442 524004121 /nfs/dbraw/zinc/00/41/21/524004121.db2.gz BERYRQSPPGXEHE-JOCHJYFZSA-N 2 1 428.577 1.752 50 0 IDAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CN2CCOC2=O)C1 ZINC000012432638 524449154 /nfs/dbraw/zinc/44/91/54/524449154.db2.gz CANLMOCJWGDPJB-IBGZPJMESA-N 2 1 432.565 1.750 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[N@H+](C)Cc3cnccn3)cc2)CC1 ZINC000011817809 556359950 /nfs/dbraw/zinc/35/99/50/556359950.db2.gz PYSKCWYYXJSDLO-NRFANRHFSA-N 2 1 428.533 1.733 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+](C)Cc3cnccn3)cc2)CC1 ZINC000011817809 556359955 /nfs/dbraw/zinc/35/99/55/556359955.db2.gz PYSKCWYYXJSDLO-NRFANRHFSA-N 2 1 428.533 1.733 50 0 IDAAMP COc1cccc(C[N@@H+]2CCc3nnc(CNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1OC ZINC000014957128 556462667 /nfs/dbraw/zinc/46/26/67/556462667.db2.gz SDUXJKUQQWZWED-SFHVURJKSA-N 2 1 442.564 1.312 50 0 IDAAMP COc1cccc(C[NH+]2CCc3nnc(CNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)c1OC ZINC000014957128 556462670 /nfs/dbraw/zinc/46/26/70/556462670.db2.gz SDUXJKUQQWZWED-SFHVURJKSA-N 2 1 442.564 1.312 50 0 IDAAMP COc1cccc(C[NH+]2CCc3nnc(CNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)c1OC ZINC000014957128 556462673 /nfs/dbraw/zinc/46/26/73/556462673.db2.gz SDUXJKUQQWZWED-SFHVURJKSA-N 2 1 442.564 1.312 50 0 IDAAMP Cc1ccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046141048 556692254 /nfs/dbraw/zinc/69/22/54/556692254.db2.gz IUOFWEWLOKPJKJ-FQEVSTJZSA-N 2 1 436.622 1.547 50 0 IDAAMP Cc1ccc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046141048 556692257 /nfs/dbraw/zinc/69/22/57/556692257.db2.gz IUOFWEWLOKPJKJ-FQEVSTJZSA-N 2 1 436.622 1.547 50 0 IDAAMP C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046141056 556692271 /nfs/dbraw/zinc/69/22/71/556692271.db2.gz RLTDXPNVXJRYKT-QGZVFWFLSA-N 2 1 428.624 1.300 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046141056 556692274 /nfs/dbraw/zinc/69/22/74/556692274.db2.gz RLTDXPNVXJRYKT-QGZVFWFLSA-N 2 1 428.624 1.300 50 0 IDAAMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945511 557554005 /nfs/dbraw/zinc/55/40/05/557554005.db2.gz KMRDHMXGSDUSPS-HDICACEKSA-N 2 1 442.651 1.824 50 0 IDAAMP CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020774826 519234242 /nfs/dbraw/zinc/23/42/42/519234242.db2.gz IPENFWJDWFSHAD-JWQCQUIFSA-N 2 1 444.664 1.640 50 0 IDAAMP CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000035422042 519736226 /nfs/dbraw/zinc/73/62/26/519736226.db2.gz YQQKRLROJYBWLG-LJQANCHMSA-N 2 1 443.592 1.784 50 0 IDAAMP COc1cc(C[NH2+]CCN2CCNC2=O)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012718048 522451128 /nfs/dbraw/zinc/45/11/28/522451128.db2.gz PZDOCTGWZLXXRO-FQEVSTJZSA-N 2 1 434.581 1.814 50 0 IDAAMP COc1ccccc1/C=C/C[N@@H+]1CCc2nnc(CNC(=O)[C@H]3CCC[NH+](C)C3)n2CC1 ZINC000012148766 524318683 /nfs/dbraw/zinc/31/86/83/524318683.db2.gz FAPVEGGLRXKIHW-IEJURRBGSA-N 2 1 438.576 1.816 50 0 IDAAMP COc1ccccc1/C=C/C[NH+]1CCc2nnc(CNC(=O)[C@H]3CCC[N@H+](C)C3)n2CC1 ZINC000012148766 524318687 /nfs/dbraw/zinc/31/86/87/524318687.db2.gz FAPVEGGLRXKIHW-IEJURRBGSA-N 2 1 438.576 1.816 50 0 IDAAMP COc1ccccc1/C=C/C[NH+]1CCc2nnc(CNC(=O)[C@H]3CCC[N@@H+](C)C3)n2CC1 ZINC000012148766 524318690 /nfs/dbraw/zinc/31/86/90/524318690.db2.gz FAPVEGGLRXKIHW-IEJURRBGSA-N 2 1 438.576 1.816 50 0 IDAAMP COc1cccc(C[N@@H+]2CCc3nnc(CNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1OC ZINC000014957124 556462647 /nfs/dbraw/zinc/46/26/47/556462647.db2.gz SDUXJKUQQWZWED-GOSISDBHSA-N 2 1 442.564 1.312 50 0 IDAAMP COc1cccc(C[NH+]2CCc3nnc(CNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)c1OC ZINC000014957124 556462650 /nfs/dbraw/zinc/46/26/50/556462650.db2.gz SDUXJKUQQWZWED-GOSISDBHSA-N 2 1 442.564 1.312 50 0 IDAAMP COc1cccc(C[NH+]2CCc3nnc(CNC(=O)[C@@H]4CCC[N@@H+](C)C4)n3CC2)c1OC ZINC000014957124 556462654 /nfs/dbraw/zinc/46/26/54/556462654.db2.gz SDUXJKUQQWZWED-GOSISDBHSA-N 2 1 442.564 1.312 50 0 IDAAMP Cc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046141038 556692086 /nfs/dbraw/zinc/69/20/86/556692086.db2.gz ZZMKMCUVBYOBCT-UHFFFAOYSA-N 2 1 436.622 1.548 50 0 IDAAMP C[N@H+](CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000055090437 556734182 /nfs/dbraw/zinc/73/41/82/556734182.db2.gz FKSOWBOXYGIVIJ-JOCHJYFZSA-N 2 1 435.634 1.909 50 0 IDAAMP C[N@@H+](CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000055090437 556734186 /nfs/dbraw/zinc/73/41/86/556734186.db2.gz FKSOWBOXYGIVIJ-JOCHJYFZSA-N 2 1 435.634 1.909 50 0 IDAAMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000045945492 557553967 /nfs/dbraw/zinc/55/39/67/557553967.db2.gz NQLKIRURRVSINS-BGYRXZFFSA-N 2 1 436.622 1.762 50 0 IDAAMP CCn1c2c(C(=O)NCC[NH+]3CCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835879 568968945 /nfs/dbraw/zinc/96/89/45/568968945.db2.gz NGSIUMQSFLBRIS-UHFFFAOYSA-N 2 1 448.571 1.900 50 0 IDAAMP CC[C@@H]1CN(c2nc(C)nc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2)CC[NH+]1CCOC ZINC000170598863 569142435 /nfs/dbraw/zinc/14/24/35/569142435.db2.gz PUCPNKSCNANVMW-WOJBJXKFSA-N 2 1 435.617 1.274 50 0 IDAAMP C[C@H]1CCCC[N@@H+]1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974743 569587000 /nfs/dbraw/zinc/58/70/00/569587000.db2.gz XHQFRQKYUFLZOV-KRWDZBQOSA-N 2 1 426.558 1.123 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974743 569587001 /nfs/dbraw/zinc/58/70/01/569587001.db2.gz XHQFRQKYUFLZOV-KRWDZBQOSA-N 2 1 426.558 1.123 50 0 IDAAMP CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000035422029 519709499 /nfs/dbraw/zinc/70/94/99/519709499.db2.gz VMWPOVLBTVSULF-IBGZPJMESA-N 2 1 443.592 1.784 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCn2nc(C)cc2C)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000022913404 524005034 /nfs/dbraw/zinc/00/50/34/524005034.db2.gz WAFCTJUMCHLRCJ-JOCHJYFZSA-N 2 1 445.608 1.628 50 0 IDAAMP COc1ccc(C[NH2+]CCc2scnc2C)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020877890 524070828 /nfs/dbraw/zinc/07/08/28/524070828.db2.gz LFJUGDNWCPBHHP-IBGZPJMESA-N 2 1 434.606 1.780 50 0 IDAAMP O[C@@H](COc1cccc(C[NH2+]CCN2CCOCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020540720 527661148 /nfs/dbraw/zinc/66/11/48/527661148.db2.gz DVLJAOGQWHUWGC-XMMPIXPASA-N 2 1 425.573 1.906 50 0 IDAAMP O=C(c1ccccc1Cl)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046141066 556692493 /nfs/dbraw/zinc/69/24/93/556692493.db2.gz CHRDPMUXXCCQPO-UHFFFAOYSA-N 2 1 443.013 1.503 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000058305992 556779113 /nfs/dbraw/zinc/77/91/13/556779113.db2.gz LHAPGCZJXGVLTR-FQEVSTJZSA-N 2 1 436.622 1.863 50 0 IDAAMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288212 569359359 /nfs/dbraw/zinc/35/93/59/569359359.db2.gz REPWYFXTXYQBNW-RXVVDRJESA-N 2 1 443.617 1.794 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000021534318 521633228 /nfs/dbraw/zinc/63/32/28/521633228.db2.gz QLLXAXTTZZSBBU-HXUWFJFHSA-N 2 1 436.622 1.600 50 0 IDAAMP COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012191803 522349488 /nfs/dbraw/zinc/34/94/88/522349488.db2.gz GWKVVWBRDFNIDQ-JOCHJYFZSA-N 2 1 446.592 1.837 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccncn3)c2)CC1 ZINC000012835098 522917657 /nfs/dbraw/zinc/91/76/57/522917657.db2.gz OGXFNXDRDXMEIV-NRFANRHFSA-N 2 1 428.533 1.733 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccncn3)c2)CC1 ZINC000012835098 522917662 /nfs/dbraw/zinc/91/76/62/522917662.db2.gz OGXFNXDRDXMEIV-NRFANRHFSA-N 2 1 428.533 1.733 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000045966788 556689153 /nfs/dbraw/zinc/68/91/53/556689153.db2.gz VRCDFNBEJPGTCE-IBGZPJMESA-N 2 1 432.565 1.452 50 0 IDAAMP C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1 ZINC000046141058 556692480 /nfs/dbraw/zinc/69/24/80/556692480.db2.gz QCVRTCSFRVUDQB-GOSISDBHSA-N 2 1 442.651 1.229 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1 ZINC000046141058 556692481 /nfs/dbraw/zinc/69/24/81/556692481.db2.gz QCVRTCSFRVUDQB-GOSISDBHSA-N 2 1 442.651 1.229 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945264 557553879 /nfs/dbraw/zinc/55/38/79/557553879.db2.gz ILQVCMFABPTSFD-KRWDZBQOSA-N 2 1 428.624 1.435 50 0 IDAAMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288203 569359379 /nfs/dbraw/zinc/35/93/79/569359379.db2.gz REPWYFXTXYQBNW-WIYYLYMNSA-N 2 1 443.617 1.794 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000015864133 569458859 /nfs/dbraw/zinc/45/88/59/569458859.db2.gz HMRVYEVVWINJNW-SFHVURJKSA-N 2 1 437.382 1.807 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000015864132 569458868 /nfs/dbraw/zinc/45/88/68/569458868.db2.gz HMRVYEVVWINJNW-GOSISDBHSA-N 2 1 437.382 1.807 50 0 IDAAMP CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000035422043 519735941 /nfs/dbraw/zinc/73/59/41/519735941.db2.gz YQQKRLROJYBWLG-IBGZPJMESA-N 2 1 443.592 1.784 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000035401379 521633312 /nfs/dbraw/zinc/63/33/12/521633312.db2.gz JTVVIRJUAJCZGE-HXUWFJFHSA-N 2 1 436.622 1.600 50 0 IDAAMP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)CCn3ccnc3C)cc2OC)CC1 ZINC000020599673 521686564 /nfs/dbraw/zinc/68/65/64/521686564.db2.gz YNDSQSMWGQDOAR-QFIPXVFZSA-N 2 1 445.608 1.709 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3cn(C)nc3C)c2)CC1 ZINC000012571152 522915130 /nfs/dbraw/zinc/91/51/30/522915130.db2.gz QIHGZPKYHOZYJT-JOCHJYFZSA-N 2 1 444.576 1.985 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3cn(C)nc3C)c2)CC1 ZINC000012571152 522915138 /nfs/dbraw/zinc/91/51/38/522915138.db2.gz QIHGZPKYHOZYJT-JOCHJYFZSA-N 2 1 444.576 1.985 50 0 IDAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000012591545 524448604 /nfs/dbraw/zinc/44/86/04/524448604.db2.gz JMFRJCUOGQXKNO-LJQANCHMSA-N 2 1 443.592 1.906 50 0 IDAAMP OCC[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000022851908 527554181 /nfs/dbraw/zinc/55/41/81/527554181.db2.gz ACRMZUVPFMGAPZ-XMMPIXPASA-N 2 1 425.573 1.595 50 0 IDAAMP CCOc1ccccc1C[N@@H+]1CCc2nnc(CNC(=O)[C@H]3CCC[NH+](C)C3)n2CC1 ZINC000012035475 556389531 /nfs/dbraw/zinc/38/95/31/556389531.db2.gz ZNRWWRRWOJIMRC-IBGZPJMESA-N 2 1 426.565 1.693 50 0 IDAAMP CCOc1ccccc1C[NH+]1CCc2nnc(CNC(=O)[C@H]3CCC[N@H+](C)C3)n2CC1 ZINC000012035475 556389532 /nfs/dbraw/zinc/38/95/32/556389532.db2.gz ZNRWWRRWOJIMRC-IBGZPJMESA-N 2 1 426.565 1.693 50 0 IDAAMP CCOc1ccccc1C[NH+]1CCc2nnc(CNC(=O)[C@H]3CCC[N@@H+](C)C3)n2CC1 ZINC000012035475 556389535 /nfs/dbraw/zinc/38/95/35/556389535.db2.gz ZNRWWRRWOJIMRC-IBGZPJMESA-N 2 1 426.565 1.693 50 0 IDAAMP CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140823 556691891 /nfs/dbraw/zinc/69/18/91/556691891.db2.gz WTIAMTWUTLFLMJ-UHFFFAOYSA-N 2 1 431.002 1.359 50 0 IDAAMP Cc1cccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000046141054 556692022 /nfs/dbraw/zinc/69/20/22/556692022.db2.gz CYFQYDXXAWNPBY-FQEVSTJZSA-N 2 1 436.622 1.547 50 0 IDAAMP Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000046141054 556692024 /nfs/dbraw/zinc/69/20/24/556692024.db2.gz CYFQYDXXAWNPBY-FQEVSTJZSA-N 2 1 436.622 1.547 50 0 IDAAMP COc1ccc(CN2CC[NH+](CCO)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019300688 556735192 /nfs/dbraw/zinc/73/51/92/556735192.db2.gz BTIYKQINZCWURQ-HSZRJFAPSA-N 2 1 443.588 1.677 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000058305990 556778977 /nfs/dbraw/zinc/77/89/77/556778977.db2.gz LHAPGCZJXGVLTR-HXUWFJFHSA-N 2 1 436.622 1.863 50 0 IDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3nc(C)cc(C)n3)c2)CC1 ZINC000020203608 556998063 /nfs/dbraw/zinc/99/80/63/556998063.db2.gz DOQCYPCTIFDXGM-QFIPXVFZSA-N 2 1 427.593 1.803 50 0 IDAAMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](CCOc3ccc(Cl)cc3)CC1)C2=O ZINC000022929958 557049666 /nfs/dbraw/zinc/04/96/66/557049666.db2.gz PIABYZPRYLASHI-UHFFFAOYSA-N 2 1 435.956 1.310 50 0 IDAAMP Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000105856413 557511981 /nfs/dbraw/zinc/51/19/81/557511981.db2.gz WMMDFNINVZMBGP-HXUWFJFHSA-N 2 1 436.622 1.600 50 0 IDAAMP O=C(NCC1CC1)[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598103 569159691 /nfs/dbraw/zinc/15/96/91/569159691.db2.gz ODJIDGNALLTFAK-VXKWHMMOSA-N 2 1 446.636 1.479 50 0 IDAAMP CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000035422028 519709527 /nfs/dbraw/zinc/70/95/27/519709527.db2.gz VMWPOVLBTVSULF-LJQANCHMSA-N 2 1 443.592 1.784 50 0 IDAAMP COc1cc(C[NH2+]CCN2CCNC2=O)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012718050 522451584 /nfs/dbraw/zinc/45/15/84/522451584.db2.gz PZDOCTGWZLXXRO-HXUWFJFHSA-N 2 1 434.581 1.814 50 0 IDAAMP Cc1cccc(C(=O)N(CC[N@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000046141055 556692206 /nfs/dbraw/zinc/69/22/06/556692206.db2.gz CYFQYDXXAWNPBY-HXUWFJFHSA-N 2 1 436.622 1.547 50 0 IDAAMP Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000046141055 556692209 /nfs/dbraw/zinc/69/22/09/556692209.db2.gz CYFQYDXXAWNPBY-HXUWFJFHSA-N 2 1 436.622 1.547 50 0 IDAAMP C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1 ZINC000046141059 556692467 /nfs/dbraw/zinc/69/24/67/556692467.db2.gz QCVRTCSFRVUDQB-SFHVURJKSA-N 2 1 442.651 1.229 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1 ZINC000046141059 556692469 /nfs/dbraw/zinc/69/24/69/556692469.db2.gz QCVRTCSFRVUDQB-SFHVURJKSA-N 2 1 442.651 1.229 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045945228 557554015 /nfs/dbraw/zinc/55/40/15/557554015.db2.gz YIUDYAQAKXDZLO-GOSISDBHSA-N 2 1 440.585 1.513 50 0 IDAAMP CC(C)c1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974780 557556603 /nfs/dbraw/zinc/55/66/03/557556603.db2.gz QPJHVJODQZOLQH-UHFFFAOYSA-N 2 1 436.622 1.718 50 0 IDAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[N@@H+](CCCc1ccccc1)CC2 ZINC000299756439 568755573 /nfs/dbraw/zinc/75/55/73/568755573.db2.gz IIJWIYFCRGSUKM-UHFFFAOYSA-N 2 1 438.572 1.735 50 0 IDAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[N@H+](CCCc1ccccc1)CC2 ZINC000299756439 568755574 /nfs/dbraw/zinc/75/55/74/568755574.db2.gz IIJWIYFCRGSUKM-UHFFFAOYSA-N 2 1 438.572 1.735 50 0 IDAAMP C[C@@H]1CCCC[N@@H+]1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974741 569586915 /nfs/dbraw/zinc/58/69/15/569586915.db2.gz XHQFRQKYUFLZOV-QGZVFWFLSA-N 2 1 426.558 1.123 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974741 569586916 /nfs/dbraw/zinc/58/69/16/569586916.db2.gz XHQFRQKYUFLZOV-QGZVFWFLSA-N 2 1 426.558 1.123 50 0 IDAAMP CC[N@@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140965 569586955 /nfs/dbraw/zinc/58/69/55/569586955.db2.gz JSEXHHRHTIPKFV-IBGZPJMESA-N 2 1 443.013 1.502 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140965 569586956 /nfs/dbraw/zinc/58/69/56/569586956.db2.gz JSEXHHRHTIPKFV-IBGZPJMESA-N 2 1 443.013 1.502 50 0 IDAAMP CC[N@@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140964 569586983 /nfs/dbraw/zinc/58/69/83/569586983.db2.gz JSEXHHRHTIPKFV-LJQANCHMSA-N 2 1 443.013 1.502 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140964 569586984 /nfs/dbraw/zinc/58/69/84/569586984.db2.gz JSEXHHRHTIPKFV-LJQANCHMSA-N 2 1 443.013 1.502 50 0 IDAAMP CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[NH+]4CCOCC4)c(C)c32)CC1 ZINC000021926765 519860795 /nfs/dbraw/zinc/86/07/95/519860795.db2.gz OYBZMNLEWLBHBP-UHFFFAOYSA-N 2 1 446.621 1.984 50 0 IDAAMP O=C(c1ccccc1F)N(CCC[NH+]1CCCCC1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046141040 556692077 /nfs/dbraw/zinc/69/20/77/556692077.db2.gz IWISXMNUFYTHSW-UHFFFAOYSA-N 2 1 440.585 1.379 50 0 IDAAMP C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046141052 556692101 /nfs/dbraw/zinc/69/21/01/556692101.db2.gz WBCMUAINCWLZQX-GOSISDBHSA-N 2 1 440.585 1.377 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046141052 556692103 /nfs/dbraw/zinc/69/21/03/556692103.db2.gz WBCMUAINCWLZQX-GOSISDBHSA-N 2 1 440.585 1.377 50 0 IDAAMP O=C1c2ccccc2C(=O)N1CCC[NH2+]CC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000019369024 556746817 /nfs/dbraw/zinc/74/68/17/556746817.db2.gz XLHXDJJWXSDWMT-UHFFFAOYSA-N 2 1 434.496 1.538 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974510 557556300 /nfs/dbraw/zinc/55/63/00/557556300.db2.gz TZGXHFOYZOAPMS-FQEVSTJZSA-N 2 1 436.622 1.717 50 0 IDAAMP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1 ZINC000089959032 569168916 /nfs/dbraw/zinc/16/89/16/569168916.db2.gz FQSYFZFTXWMVCX-UHFFFAOYSA-N 2 1 431.581 1.242 50 0 IDAAMP C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288207 569359389 /nfs/dbraw/zinc/35/93/89/569359389.db2.gz REPWYFXTXYQBNW-GHTZIAJQSA-N 2 1 443.617 1.794 50 0 IDAAMP Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000230101863 569437210 /nfs/dbraw/zinc/43/72/10/569437210.db2.gz ZDNZEJQGHMQTDD-HXUWFJFHSA-N 2 1 436.622 1.600 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000035401402 521633039 /nfs/dbraw/zinc/63/30/39/521633039.db2.gz XRRINPGKLJFRBM-HXUWFJFHSA-N 2 1 436.622 1.600 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000035401408 521653110 /nfs/dbraw/zinc/65/31/10/521653110.db2.gz XRRINPGKLJFRBM-FQEVSTJZSA-N 2 1 436.622 1.600 50 0 IDAAMP Cc1ccc(C(=O)N(CC[N@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046141049 556692061 /nfs/dbraw/zinc/69/20/61/556692061.db2.gz IUOFWEWLOKPJKJ-HXUWFJFHSA-N 2 1 436.622 1.547 50 0 IDAAMP Cc1ccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046141049 556692063 /nfs/dbraw/zinc/69/20/63/556692063.db2.gz IUOFWEWLOKPJKJ-HXUWFJFHSA-N 2 1 436.622 1.547 50 0 IDAAMP O=C(c1cccc(Cl)c1)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046141073 556692457 /nfs/dbraw/zinc/69/24/57/556692457.db2.gz NHKLEOODFNPSLD-UHFFFAOYSA-N 2 1 443.013 1.503 50 0 IDAAMP COc1ccc(CN2CC[NH+](CCO)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019300686 556735023 /nfs/dbraw/zinc/73/50/23/556735023.db2.gz BTIYKQINZCWURQ-QHCPKHFHSA-N 2 1 443.588 1.677 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045945232 557553825 /nfs/dbraw/zinc/55/38/25/557553825.db2.gz YIUDYAQAKXDZLO-SFHVURJKSA-N 2 1 440.585 1.513 50 0 IDAAMP C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)C1 ZINC000045945397 557553906 /nfs/dbraw/zinc/55/39/06/557553906.db2.gz CMLVZGJKMVGNKO-BGYRXZFFSA-N 2 1 436.622 1.477 50 0 IDAAMP Cc1cc(C)c(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974790 557556672 /nfs/dbraw/zinc/55/66/72/557556672.db2.gz WOWANENHARXNEY-UHFFFAOYSA-N 2 1 436.622 1.520 50 0 IDAAMP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(OCCC[NH+](C)C)CC1 ZINC000079014252 569321955 /nfs/dbraw/zinc/32/19/55/569321955.db2.gz BEIYHBMBGCMFHC-CQSZACIVSA-N 2 1 444.498 1.980 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000035401384 521653322 /nfs/dbraw/zinc/65/33/22/521653322.db2.gz JTVVIRJUAJCZGE-FQEVSTJZSA-N 2 1 436.622 1.600 50 0 IDAAMP COc1ccc(C[NH2+]CCc2scnc2C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020877893 524071012 /nfs/dbraw/zinc/07/10/12/524071012.db2.gz LFJUGDNWCPBHHP-LJQANCHMSA-N 2 1 434.606 1.780 50 0 IDAAMP COc1ccccc1/C=C/C[N@@H+]1CCc2nnc(CNC(=O)[C@@H]3CCC[NH+](C)C3)n2CC1 ZINC000012148765 524320240 /nfs/dbraw/zinc/32/02/40/524320240.db2.gz FAPVEGGLRXKIHW-CPSHHHPTSA-N 2 1 438.576 1.816 50 0 IDAAMP COc1ccccc1/C=C/C[NH+]1CCc2nnc(CNC(=O)[C@@H]3CCC[N@H+](C)C3)n2CC1 ZINC000012148765 524320251 /nfs/dbraw/zinc/32/02/51/524320251.db2.gz FAPVEGGLRXKIHW-CPSHHHPTSA-N 2 1 438.576 1.816 50 0 IDAAMP COc1ccccc1/C=C/C[NH+]1CCc2nnc(CNC(=O)[C@@H]3CCC[N@@H+](C)C3)n2CC1 ZINC000012148765 524320261 /nfs/dbraw/zinc/32/02/61/524320261.db2.gz FAPVEGGLRXKIHW-CPSHHHPTSA-N 2 1 438.576 1.816 50 0 IDAAMP O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012440164 527100814 /nfs/dbraw/zinc/10/08/14/527100814.db2.gz CHGQMSIUKWZPPI-JOCHJYFZSA-N 2 1 442.629 1.384 50 0 IDAAMP O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012440164 527100819 /nfs/dbraw/zinc/10/08/19/527100819.db2.gz CHGQMSIUKWZPPI-JOCHJYFZSA-N 2 1 442.629 1.384 50 0 IDAAMP CCOc1ccccc1C[N@@H+]1CCc2nnc(CNC(=O)[C@@H]3CCC[NH+](C)C3)n2CC1 ZINC000012035472 556389496 /nfs/dbraw/zinc/38/94/96/556389496.db2.gz ZNRWWRRWOJIMRC-LJQANCHMSA-N 2 1 426.565 1.693 50 0 IDAAMP CCOc1ccccc1C[NH+]1CCc2nnc(CNC(=O)[C@@H]3CCC[N@H+](C)C3)n2CC1 ZINC000012035472 556389500 /nfs/dbraw/zinc/38/95/00/556389500.db2.gz ZNRWWRRWOJIMRC-LJQANCHMSA-N 2 1 426.565 1.693 50 0 IDAAMP CCOc1ccccc1C[NH+]1CCc2nnc(CNC(=O)[C@@H]3CCC[N@@H+](C)C3)n2CC1 ZINC000012035472 556389504 /nfs/dbraw/zinc/38/95/04/556389504.db2.gz ZNRWWRRWOJIMRC-LJQANCHMSA-N 2 1 426.565 1.693 50 0 IDAAMP CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000046140822 556691402 /nfs/dbraw/zinc/69/14/02/556691402.db2.gz SVBCCRXUNWOOFN-UHFFFAOYSA-N 2 1 431.002 1.359 50 0 IDAAMP C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046141053 556692223 /nfs/dbraw/zinc/69/22/23/556692223.db2.gz WBCMUAINCWLZQX-SFHVURJKSA-N 2 1 440.585 1.377 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046141053 556692225 /nfs/dbraw/zinc/69/22/25/556692225.db2.gz WBCMUAINCWLZQX-SFHVURJKSA-N 2 1 440.585 1.377 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019229512 556718247 /nfs/dbraw/zinc/71/82/47/556718247.db2.gz URYPYYXIOGGEMR-JOCHJYFZSA-N 2 1 435.609 1.931 50 0 IDAAMP COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019229512 556718254 /nfs/dbraw/zinc/71/82/54/556718254.db2.gz URYPYYXIOGGEMR-JOCHJYFZSA-N 2 1 435.609 1.931 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019229512 556718257 /nfs/dbraw/zinc/71/82/57/556718257.db2.gz URYPYYXIOGGEMR-JOCHJYFZSA-N 2 1 435.609 1.931 50 0 IDAAMP COc1ccc(C[NH2+]CC2CC[NH+](C(C)C)CC2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000023375195 557352120 /nfs/dbraw/zinc/35/21/20/557352120.db2.gz LCNYWXXJWOZMNU-QHCPKHFHSA-N 2 1 448.652 1.892 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945261 557553893 /nfs/dbraw/zinc/55/38/93/557553893.db2.gz ILQVCMFABPTSFD-QGZVFWFLSA-N 2 1 428.624 1.435 50 0 IDAAMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)CC1 ZINC000225850020 557785286 /nfs/dbraw/zinc/78/52/86/557785286.db2.gz JMKRGRLGWYJKSO-UHFFFAOYSA-N 2 1 430.597 1.797 50 0 IDAAMP C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288209 569359350 /nfs/dbraw/zinc/35/93/50/569359350.db2.gz REPWYFXTXYQBNW-NQIIRXRSSA-N 2 1 443.617 1.794 50 0 IDAAMP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)CC1 ZINC000020513462 521549160 /nfs/dbraw/zinc/54/91/60/521549160.db2.gz ZMTHULHXRKORNR-HSZRJFAPSA-N 2 1 448.652 1.894 50 0 IDAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CN2CCOC2=O)C1 ZINC000012432637 524449414 /nfs/dbraw/zinc/44/94/14/524449414.db2.gz CANLMOCJWGDPJB-LJQANCHMSA-N 2 1 432.565 1.750 50 0 IDAAMP Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC[N@@H+]1CCCC[C@@H]1C ZINC000035401459 525328570 /nfs/dbraw/zinc/32/85/70/525328570.db2.gz IPZNLNBXGNLYSS-FQEVSTJZSA-N 2 1 436.622 1.682 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000045966786 556689093 /nfs/dbraw/zinc/68/90/93/556689093.db2.gz VRCDFNBEJPGTCE-LJQANCHMSA-N 2 1 432.565 1.452 50 0 IDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCc3nc(C)cc(C)n3)c2)CC1 ZINC000020203605 556998003 /nfs/dbraw/zinc/99/80/03/556998003.db2.gz DOQCYPCTIFDXGM-JOCHJYFZSA-N 2 1 427.593 1.803 50 0 IDAAMP COc1ccc(C[NH2+]CC2CC[NH+](C(C)C)CC2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000023375196 557352109 /nfs/dbraw/zinc/35/21/09/557352109.db2.gz LCNYWXXJWOZMNU-HSZRJFAPSA-N 2 1 448.652 1.892 50 0 IDAAMP O=C(NCC1CC1)[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000229906900 568886973 /nfs/dbraw/zinc/88/69/73/568886973.db2.gz ODJIDGNALLTFAK-FGZHOGPDSA-N 2 1 446.636 1.479 50 0 IDAAMP Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000035401471 524793077 /nfs/dbraw/zinc/79/30/77/524793077.db2.gz XVIRFDPGPQMXJM-FQEVSTJZSA-N 2 1 436.622 1.682 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000045966796 556688964 /nfs/dbraw/zinc/68/89/64/556688964.db2.gz IZEOGQRUXOOHDV-NRFANRHFSA-N 2 1 429.565 1.393 50 0 IDAAMP Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974755 557556589 /nfs/dbraw/zinc/55/65/89/557556589.db2.gz ZDNZEJQGHMQTDD-FQEVSTJZSA-N 2 1 436.622 1.600 50 0 IDAAMP Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974757 557556685 /nfs/dbraw/zinc/55/66/85/557556685.db2.gz WMMDFNINVZMBGP-FQEVSTJZSA-N 2 1 436.622 1.600 50 0 IDAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[N@@H+](Cc1cc(C)ccc1C)CC2 ZINC000299759751 568755717 /nfs/dbraw/zinc/75/57/17/568755717.db2.gz OUFAYXLFRDJCJX-UHFFFAOYSA-N 2 1 438.572 1.920 50 0 IDAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[N@H+](Cc1cc(C)ccc1C)CC2 ZINC000299759751 568755718 /nfs/dbraw/zinc/75/57/18/568755718.db2.gz OUFAYXLFRDJCJX-UHFFFAOYSA-N 2 1 438.572 1.920 50 0 IDAAMP Cn1c2c(C(=O)NCC[NH+]3CCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836049 568969116 /nfs/dbraw/zinc/96/91/16/568969116.db2.gz JCJOAWQXVXHVKQ-UHFFFAOYSA-N 2 1 434.544 1.417 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(NCCOC)nc(N3CC[C@H](C[N@H+](C)CC)C3)n2)C1 ZINC000079102979 569325695 /nfs/dbraw/zinc/32/56/95/569325695.db2.gz MYTIRILVWUEGQR-RTBURBONSA-N 2 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(N3CC[C@H](C[N@@H+](C)CC)C3)nc(NCCOC)[nH+]2)C1 ZINC000079102979 569325699 /nfs/dbraw/zinc/32/56/99/569325699.db2.gz MYTIRILVWUEGQR-RTBURBONSA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(N3CC[C@H](C[N@H+](C)CC)C3)nc(NCCOC)[nH+]2)C1 ZINC000079102979 569325701 /nfs/dbraw/zinc/32/57/01/569325701.db2.gz MYTIRILVWUEGQR-RTBURBONSA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(NCCOC)[nH+]c(N3CC[C@H](C[N@H+](C)CC)C3)n2)C1 ZINC000079102979 569325703 /nfs/dbraw/zinc/32/57/03/569325703.db2.gz MYTIRILVWUEGQR-RTBURBONSA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(NCCOC)[nH+]c(N3CC[C@H](C[N@@H+](C)CC)C3)n2)C1 ZINC000079102979 569325705 /nfs/dbraw/zinc/32/57/05/569325705.db2.gz MYTIRILVWUEGQR-RTBURBONSA-N 3 1 434.633 1.486 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000045974491 569586987 /nfs/dbraw/zinc/58/69/87/569586987.db2.gz GTZHVNHIQXXSCQ-FQEVSTJZSA-N 2 1 436.622 1.519 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3cc(C)n(C)n3)cc2)CC1 ZINC000012596266 522915809 /nfs/dbraw/zinc/91/58/09/522915809.db2.gz CNUOHEPOHUSMHK-OAQYLSRUSA-N 2 1 430.549 1.643 50 0 IDAAMP COc1ccc(C[NH2+]CCN2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000020514443 524070341 /nfs/dbraw/zinc/07/03/41/524070341.db2.gz WFNPIJXHQXASHO-HSZRJFAPSA-N 2 1 443.588 1.989 50 0 IDAAMP COc1ccc(C[NH2+]CCN2CCOCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000020514438 524070383 /nfs/dbraw/zinc/07/03/83/524070383.db2.gz WFNPIJXHQXASHO-QHCPKHFHSA-N 2 1 443.588 1.989 50 0 IDAAMP COc1ccc(C[NH2+]CCN2CCNC2=O)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012760754 524070535 /nfs/dbraw/zinc/07/05/35/524070535.db2.gz ODEHKRFKLWMUPU-NRFANRHFSA-N 2 1 442.560 1.682 50 0 IDAAMP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(OCCC[NH+](C)C)CC1 ZINC000079014248 557010612 /nfs/dbraw/zinc/01/06/12/557010612.db2.gz BEIYHBMBGCMFHC-AWEZNQCLSA-N 2 1 444.498 1.980 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCc2c(C)n[nH]c2C)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000022920023 557047020 /nfs/dbraw/zinc/04/70/20/557047020.db2.gz HJIDSWWKNINUBO-OAQYLSRUSA-N 2 1 445.608 1.697 50 0 IDAAMP Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000230097292 569436291 /nfs/dbraw/zinc/43/62/91/569436291.db2.gz ITZITJKHTYTWQO-HXUWFJFHSA-N 2 1 436.622 1.682 50 0 IDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000021534321 521653910 /nfs/dbraw/zinc/65/39/10/521653910.db2.gz QLLXAXTTZZSBBU-FQEVSTJZSA-N 2 1 436.622 1.600 50 0 IDAAMP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)CCn3ccnc3C)cc2OC)CC1 ZINC000020599672 521684482 /nfs/dbraw/zinc/68/44/82/521684482.db2.gz YNDSQSMWGQDOAR-JOCHJYFZSA-N 2 1 445.608 1.709 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccncn3)c2)CC1 ZINC000012835096 522914478 /nfs/dbraw/zinc/91/44/78/522914478.db2.gz OGXFNXDRDXMEIV-OAQYLSRUSA-N 2 1 428.533 1.733 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccncn3)c2)CC1 ZINC000012835096 522914491 /nfs/dbraw/zinc/91/44/91/522914491.db2.gz OGXFNXDRDXMEIV-OAQYLSRUSA-N 2 1 428.533 1.733 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3cc(C)n(C)n3)cc2)CC1 ZINC000012596270 522915370 /nfs/dbraw/zinc/91/53/70/522915370.db2.gz CNUOHEPOHUSMHK-NRFANRHFSA-N 2 1 430.549 1.643 50 0 IDAAMP C[N@@H+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[NH+](Cc2ccccc2Cl)CC3)C1 ZINC000012182957 523813456 /nfs/dbraw/zinc/81/34/56/523813456.db2.gz YZLVZRORFDZNKY-GOSISDBHSA-N 2 1 430.984 1.990 50 0 IDAAMP C[N@H+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[NH+](Cc2ccccc2Cl)CC3)C1 ZINC000012182957 523813459 /nfs/dbraw/zinc/81/34/59/523813459.db2.gz YZLVZRORFDZNKY-GOSISDBHSA-N 2 1 430.984 1.990 50 0 IDAAMP C[NH+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccccc2Cl)CC3)C1 ZINC000012182957 523813466 /nfs/dbraw/zinc/81/34/66/523813466.db2.gz YZLVZRORFDZNKY-GOSISDBHSA-N 2 1 430.984 1.990 50 0 IDAAMP C[NH+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccccc2Cl)CC3)C1 ZINC000012182957 523813469 /nfs/dbraw/zinc/81/34/69/523813469.db2.gz YZLVZRORFDZNKY-GOSISDBHSA-N 2 1 430.984 1.990 50 0 IDAAMP O[C@H](COc1cccc(C[NH2+]CCN2CCOCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020540723 526291062 /nfs/dbraw/zinc/29/10/62/526291062.db2.gz DVLJAOGQWHUWGC-DEOSSOPVSA-N 2 1 425.573 1.906 50 0 IDAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@H+](Cc3nccn3C)C2)cn1 ZINC000014531940 556421008 /nfs/dbraw/zinc/42/10/08/556421008.db2.gz DCWBNEHEBDLBBQ-VQTJNVASSA-N 2 1 428.581 1.709 50 0 IDAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@@H+](Cc3nccn3C)C2)cn1 ZINC000014531940 556421009 /nfs/dbraw/zinc/42/10/09/556421009.db2.gz DCWBNEHEBDLBBQ-VQTJNVASSA-N 2 1 428.581 1.709 50 0 IDAAMP C[N@H+](CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000055090440 556734406 /nfs/dbraw/zinc/73/44/06/556734406.db2.gz FKSOWBOXYGIVIJ-QFIPXVFZSA-N 2 1 435.634 1.909 50 0 IDAAMP C[N@@H+](CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000055090440 556734408 /nfs/dbraw/zinc/73/44/08/556734408.db2.gz FKSOWBOXYGIVIJ-QFIPXVFZSA-N 2 1 435.634 1.909 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCc2c(C)n[nH]c2C)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000022920017 557046978 /nfs/dbraw/zinc/04/69/78/557046978.db2.gz HJIDSWWKNINUBO-NRFANRHFSA-N 2 1 445.608 1.697 50 0 IDAAMP C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023353500 557086578 /nfs/dbraw/zinc/08/65/78/557086578.db2.gz KECPOMPSMQYHJA-MQSCRBSSSA-N 2 1 430.593 1.373 50 0 IDAAMP C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023353497 557086715 /nfs/dbraw/zinc/08/67/15/557086715.db2.gz KECPOMPSMQYHJA-XPNTWCBSSA-N 2 1 430.593 1.373 50 0 IDAAMP CC[C@H]1CN(c2nc(C)nc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2)CC[NH+]1CCOC ZINC000221880736 557327052 /nfs/dbraw/zinc/32/70/52/557327052.db2.gz PUCPNKSCNANVMW-PMACEKPBSA-N 2 1 435.617 1.274 50 0 IDAAMP Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC[N@@H+]1CCCC[C@H]1C ZINC000106319574 557528018 /nfs/dbraw/zinc/52/80/18/557528018.db2.gz IPZNLNBXGNLYSS-HXUWFJFHSA-N 2 1 436.622 1.682 50 0 IDAAMP C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccs2)C1 ZINC000045945420 557553850 /nfs/dbraw/zinc/55/38/50/557553850.db2.gz PJSPGWVIVCFUJC-HDICACEKSA-N 2 1 442.651 1.539 50 0 IDAAMP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)CC1 ZINC000020513459 521549271 /nfs/dbraw/zinc/54/92/71/521549271.db2.gz ZMTHULHXRKORNR-QHCPKHFHSA-N 2 1 448.652 1.894 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3cn(C)nc3C)c2)CC1 ZINC000012571158 522916249 /nfs/dbraw/zinc/91/62/49/522916249.db2.gz QIHGZPKYHOZYJT-QFIPXVFZSA-N 2 1 444.576 1.985 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3cn(C)nc3C)c2)CC1 ZINC000012571158 522916258 /nfs/dbraw/zinc/91/62/58/522916258.db2.gz QIHGZPKYHOZYJT-QFIPXVFZSA-N 2 1 444.576 1.985 50 0 IDAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000012591551 524449197 /nfs/dbraw/zinc/44/91/97/524449197.db2.gz JMFRJCUOGQXKNO-IBGZPJMESA-N 2 1 443.592 1.906 50 0 IDAAMP C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000046141050 556692124 /nfs/dbraw/zinc/69/21/24/556692124.db2.gz OTNQTMFBVMQXOS-GOSISDBHSA-N 2 1 440.585 1.377 50 0 IDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000046141050 556692127 /nfs/dbraw/zinc/69/21/27/556692127.db2.gz OTNQTMFBVMQXOS-GOSISDBHSA-N 2 1 440.585 1.377 50 0 IDAAMP Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045945245 557554057 /nfs/dbraw/zinc/55/40/57/557554057.db2.gz ITZITJKHTYTWQO-FQEVSTJZSA-N 2 1 436.622 1.682 50 0 IDAAMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758864 568755568 /nfs/dbraw/zinc/75/55/68/568755568.db2.gz LCEDPVRUAAAWPE-YKSBVNFPSA-N 2 1 446.567 1.573 50 0 IDAAMP COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012191800 522352619 /nfs/dbraw/zinc/35/26/19/522352619.db2.gz GWKVVWBRDFNIDQ-QFIPXVFZSA-N 2 1 446.592 1.837 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+](C)Cc3cnccn3)cc2)CC1 ZINC000011817808 556360020 /nfs/dbraw/zinc/36/00/20/556360020.db2.gz PYSKCWYYXJSDLO-OAQYLSRUSA-N 2 1 428.533 1.733 50 0 IDAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)Cc3cnccn3)cc2)CC1 ZINC000011817808 556360023 /nfs/dbraw/zinc/36/00/23/556360023.db2.gz PYSKCWYYXJSDLO-OAQYLSRUSA-N 2 1 428.533 1.733 50 0 IDAAMP C[N@H+](CCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000065226926 556436463 /nfs/dbraw/zinc/43/64/63/556436463.db2.gz MDODAUXVTWKDDV-UHFFFAOYSA-N 2 1 443.640 1.826 50 0 IDAAMP C[N@@H+](CCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000065226926 556436464 /nfs/dbraw/zinc/43/64/64/556436464.db2.gz MDODAUXVTWKDDV-UHFFFAOYSA-N 2 1 443.640 1.826 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000045966794 556689000 /nfs/dbraw/zinc/68/90/00/556689000.db2.gz IZEOGQRUXOOHDV-OAQYLSRUSA-N 2 1 429.565 1.393 50 0 IDAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C[C@@H]2CCO)CC1 ZINC000019228285 556717480 /nfs/dbraw/zinc/71/74/80/556717480.db2.gz GPYKRHSWJVAGPT-QFIPXVFZSA-N 2 1 441.620 1.868 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974508 557556403 /nfs/dbraw/zinc/55/64/03/557556403.db2.gz TZGXHFOYZOAPMS-HXUWFJFHSA-N 2 1 436.622 1.717 50 0 IDAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C[C@H]2CCO)CC1 ZINC000104635095 568837097 /nfs/dbraw/zinc/83/70/97/568837097.db2.gz GPYKRHSWJVAGPT-JOCHJYFZSA-N 2 1 441.620 1.868 50 0 IDAAMP O=C(NCC1CC1)[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159706 /nfs/dbraw/zinc/15/97/06/569159706.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 2 1 446.636 1.479 50 0 IDAAMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159707 /nfs/dbraw/zinc/15/97/07/569159707.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 2 1 446.636 1.479 50 0 IDAAMP O=C(NCC1CC1)[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159708 /nfs/dbraw/zinc/15/97/08/569159708.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 2 1 446.636 1.479 50 0 IDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000045974490 569586966 /nfs/dbraw/zinc/58/69/66/569586966.db2.gz GTZHVNHIQXXSCQ-HXUWFJFHSA-N 2 1 436.622 1.519 50 0 IDAAMP C[N@@H+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[NH+](Cc2ccccc2Cl)CC3)C1 ZINC000012182964 523838014 /nfs/dbraw/zinc/83/80/14/523838014.db2.gz YZLVZRORFDZNKY-SFHVURJKSA-N 2 1 430.984 1.990 50 0 IDAAMP C[N@H+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[NH+](Cc2ccccc2Cl)CC3)C1 ZINC000012182964 523838019 /nfs/dbraw/zinc/83/80/19/523838019.db2.gz YZLVZRORFDZNKY-SFHVURJKSA-N 2 1 430.984 1.990 50 0 IDAAMP C[NH+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccccc2Cl)CC3)C1 ZINC000012182964 523838025 /nfs/dbraw/zinc/83/80/25/523838025.db2.gz YZLVZRORFDZNKY-SFHVURJKSA-N 2 1 430.984 1.990 50 0 IDAAMP C[NH+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccccc2Cl)CC3)C1 ZINC000012182964 523838032 /nfs/dbraw/zinc/83/80/32/523838032.db2.gz YZLVZRORFDZNKY-SFHVURJKSA-N 2 1 430.984 1.990 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020776439 524003408 /nfs/dbraw/zinc/00/34/08/524003408.db2.gz BERYRQSPPGXEHE-QFIPXVFZSA-N 2 1 428.577 1.752 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCn2nc(C)cc2C)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000022913400 524004158 /nfs/dbraw/zinc/00/41/58/524004158.db2.gz WAFCTJUMCHLRCJ-QFIPXVFZSA-N 2 1 445.608 1.628 50 0 IDAAMP COc1ccc(C[NH2+]CCN2CCNC2=O)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012760758 524070355 /nfs/dbraw/zinc/07/03/55/524070355.db2.gz ODEHKRFKLWMUPU-OAQYLSRUSA-N 2 1 442.560 1.682 50 0 IDAAMP O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012440162 527151008 /nfs/dbraw/zinc/15/10/08/527151008.db2.gz CHGQMSIUKWZPPI-QFIPXVFZSA-N 2 1 442.629 1.384 50 0 IDAAMP O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012440162 527151014 /nfs/dbraw/zinc/15/10/14/527151014.db2.gz CHGQMSIUKWZPPI-QFIPXVFZSA-N 2 1 442.629 1.384 50 0 IDAAMP OCC[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000022851905 527553460 /nfs/dbraw/zinc/55/34/60/527553460.db2.gz ACRMZUVPFMGAPZ-DEOSSOPVSA-N 2 1 425.573 1.595 50 0 IDAAMP C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046141057 556692042 /nfs/dbraw/zinc/69/20/42/556692042.db2.gz RLTDXPNVXJRYKT-KRWDZBQOSA-N 2 1 428.624 1.300 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046141057 556692045 /nfs/dbraw/zinc/69/20/45/556692045.db2.gz RLTDXPNVXJRYKT-KRWDZBQOSA-N 2 1 428.624 1.300 50 0 IDAAMP C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000046141051 556692146 /nfs/dbraw/zinc/69/21/46/556692146.db2.gz OTNQTMFBVMQXOS-SFHVURJKSA-N 2 1 440.585 1.377 50 0 IDAAMP C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000046141051 556692150 /nfs/dbraw/zinc/69/21/50/556692150.db2.gz OTNQTMFBVMQXOS-SFHVURJKSA-N 2 1 440.585 1.377 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019229510 556718202 /nfs/dbraw/zinc/71/82/02/556718202.db2.gz URYPYYXIOGGEMR-QFIPXVFZSA-N 2 1 435.609 1.931 50 0 IDAAMP COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019229510 556718214 /nfs/dbraw/zinc/71/82/14/556718214.db2.gz URYPYYXIOGGEMR-QFIPXVFZSA-N 2 1 435.609 1.931 50 0 IDAAMP COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019229510 556718216 /nfs/dbraw/zinc/71/82/16/556718216.db2.gz URYPYYXIOGGEMR-QFIPXVFZSA-N 2 1 435.609 1.931 50 0 IDAAMP CC[NH+](C)C[C@@H]1CCN(c2nc(NCCOC)nc(N3CC[C@@H](C[N@H+](C)CC)C3)n2)C1 ZINC000229879086 557833334 /nfs/dbraw/zinc/83/33/34/557833334.db2.gz MYTIRILVWUEGQR-OALUTQOASA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@@H]1CCN(c2nc(N3CC[C@@H](C[N@@H+](C)CC)C3)nc(NCCOC)[nH+]2)C1 ZINC000229879086 557833339 /nfs/dbraw/zinc/83/33/39/557833339.db2.gz MYTIRILVWUEGQR-OALUTQOASA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@@H]1CCN(c2nc(N3CC[C@@H](C[N@H+](C)CC)C3)nc(NCCOC)[nH+]2)C1 ZINC000229879086 557833342 /nfs/dbraw/zinc/83/33/42/557833342.db2.gz MYTIRILVWUEGQR-OALUTQOASA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@@H]1CCN(c2nc(NCCOC)[nH+]c(N3CC[C@@H](C[N@H+](C)CC)C3)n2)C1 ZINC000229879086 557833343 /nfs/dbraw/zinc/83/33/43/557833343.db2.gz MYTIRILVWUEGQR-OALUTQOASA-N 3 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@@H]1CCN(c2nc(NCCOC)[nH+]c(N3CC[C@@H](C[N@@H+](C)CC)C3)n2)C1 ZINC000229879086 557833345 /nfs/dbraw/zinc/83/33/45/557833345.db2.gz MYTIRILVWUEGQR-OALUTQOASA-N 3 1 434.633 1.486 50 0 IDAAMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758052 568755424 /nfs/dbraw/zinc/75/54/24/568755424.db2.gz LCEDPVRUAAAWPE-HYBUGGRVSA-N 2 1 446.567 1.573 50 0 IDAAMP CC[C@@H]1CN(c2nc(C)nc(N3CC[NH+](CCOC)[C@@H](CC)C3)n2)CC[N@H+]1CCOC ZINC000170598864 569142418 /nfs/dbraw/zinc/14/24/18/569142418.db2.gz PUCPNKSCNANVMW-BGYRXZFFSA-N 2 1 435.617 1.274 50 0 IDAAMP CC[C@@H]1CN(c2nc(C)nc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2)CC[NH+]1CCOC ZINC000170598864 569142420 /nfs/dbraw/zinc/14/24/20/569142420.db2.gz PUCPNKSCNANVMW-BGYRXZFFSA-N 2 1 435.617 1.274 50 0 IDAAMP CC[C@@H]1CN(c2nc(C)nc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2)CC[NH+]1CCOC ZINC000170598864 569142422 /nfs/dbraw/zinc/14/24/22/569142422.db2.gz PUCPNKSCNANVMW-BGYRXZFFSA-N 2 1 435.617 1.274 50 0 IDAAMP CC[NH+](C)C[C@@H]1CCN(c2nc(NCCOC)nc(N3CC[C@H](C[N@H+](C)CC)C3)n2)C1 ZINC000079102977 569325645 /nfs/dbraw/zinc/32/56/45/569325645.db2.gz MYTIRILVWUEGQR-KDURUIRLSA-N 2 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(NCCOC)nc(N3CC[C@@H](C[N@H+](C)CC)C3)n2)C1 ZINC000079102977 569325647 /nfs/dbraw/zinc/32/56/47/569325647.db2.gz MYTIRILVWUEGQR-KDURUIRLSA-N 2 1 434.633 1.486 50 0 IDAAMP CC[NH+](C)C[C@H]1CCN(c2nc(NCCOC)nc(N3CC[C@@H](C[N@@H+](C)CC)C3)n2)C1 ZINC000079102977 569325649 /nfs/dbraw/zinc/32/56/49/569325649.db2.gz MYTIRILVWUEGQR-KDURUIRLSA-N 2 1 434.633 1.486 50 0 IDAAMP