smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cs1 ZINC000012704803 519863551 /nfs/dbraw/zinc/86/35/51/519863551.db2.gz CKVWESMYPLAJIR-HSZRJFAPSA-N 2 1 439.625 4.428 50 0 IIAAMP CC(C)c1nc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC000012704803 519863552 /nfs/dbraw/zinc/86/35/52/519863552.db2.gz CKVWESMYPLAJIR-HSZRJFAPSA-N 2 1 439.625 4.428 50 0 IIAAMP CCOc1ccc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)cc1CO ZINC000012386412 520963661 /nfs/dbraw/zinc/96/36/61/520963661.db2.gz UYLUUYRROBLEKI-UHFFFAOYSA-N 2 1 444.591 4.077 50 0 IIAAMP CCCCc1ncc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)[nH]1 ZINC000012301937 521292258 /nfs/dbraw/zinc/29/22/58/521292258.db2.gz UGGJYUXUGJSWJG-UHFFFAOYSA-N 2 1 428.621 4.122 50 0 IIAAMP CCCCc1nc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)c[nH]1 ZINC000012301937 521292263 /nfs/dbraw/zinc/29/22/63/521292263.db2.gz UGGJYUXUGJSWJG-UHFFFAOYSA-N 2 1 428.621 4.122 50 0 IIAAMP CCCCc1nc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)c[nH]1 ZINC000012301937 521292273 /nfs/dbraw/zinc/29/22/73/521292273.db2.gz UGGJYUXUGJSWJG-UHFFFAOYSA-N 2 1 428.621 4.122 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314271 521654356 /nfs/dbraw/zinc/65/43/56/521654356.db2.gz DZOLDJYSJACEEE-NRFANRHFSA-N 2 1 425.539 4.298 50 0 IIAAMP COCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000012431368 522968571 /nfs/dbraw/zinc/96/85/71/522968571.db2.gz QDHPGEPGOTVXHU-QFIPXVFZSA-N 2 1 430.564 4.458 50 0 IIAAMP COCCCC1CC[NH+](Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012299243 523087815 /nfs/dbraw/zinc/08/78/15/523087815.db2.gz MJSGRPGGLKXVSE-AREMUKBSSA-N 2 1 440.628 4.197 50 0 IIAAMP COCC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012758546 523752225 /nfs/dbraw/zinc/75/22/25/523752225.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012758546 523752231 /nfs/dbraw/zinc/75/22/31/523752231.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012758546 523752238 /nfs/dbraw/zinc/75/22/38/523752238.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835580 523824069 /nfs/dbraw/zinc/82/40/69/523824069.db2.gz LCRFBQZLFWFDCF-NRFANRHFSA-N 2 1 434.584 4.327 50 0 IIAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879503 556371667 /nfs/dbraw/zinc/37/16/67/556371667.db2.gz BWMJXJRGKIIERS-QHCPKHFHSA-N 2 1 425.592 4.061 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091337 556402446 /nfs/dbraw/zinc/40/24/46/556402446.db2.gz GPJROQBMDZDMMJ-RUZDIDTESA-N 3 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091337 556402448 /nfs/dbraw/zinc/40/24/48/556402448.db2.gz GPJROQBMDZDMMJ-RUZDIDTESA-N 3 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091337 556402449 /nfs/dbraw/zinc/40/24/49/556402449.db2.gz GPJROQBMDZDMMJ-RUZDIDTESA-N 3 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091337 556402451 /nfs/dbraw/zinc/40/24/51/556402451.db2.gz GPJROQBMDZDMMJ-RUZDIDTESA-N 2 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091337 556402454 /nfs/dbraw/zinc/40/24/54/556402454.db2.gz GPJROQBMDZDMMJ-RUZDIDTESA-N 2 1 439.644 4.022 50 0 IIAAMP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014962675 556464667 /nfs/dbraw/zinc/46/46/67/556464667.db2.gz GWSMDOAHDLUZJU-XMMPIXPASA-N 2 1 426.601 4.298 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3sc4ccccc4c3Cl)C[C@@H]2CCO)CC1 ZINC000019227933 556717359 /nfs/dbraw/zinc/71/73/59/556717359.db2.gz YPHFAJHRKHJJGN-IBGZPJMESA-N 2 1 436.065 4.296 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3sc4ccccc4c3Cl)C[C@@H]2CCO)CC1 ZINC000019227933 556717361 /nfs/dbraw/zinc/71/73/61/556717361.db2.gz YPHFAJHRKHJJGN-IBGZPJMESA-N 2 1 436.065 4.296 50 0 IIAAMP COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(OC)c1 ZINC000014991621 557836894 /nfs/dbraw/zinc/83/68/94/557836894.db2.gz CJOCVDOUGZQDJF-LJQANCHMSA-N 2 1 442.629 4.061 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012596724 522460937 /nfs/dbraw/zinc/46/09/37/522460937.db2.gz LBFMBKMHPDPJII-NRFANRHFSA-N 2 1 445.604 4.101 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596724 522460943 /nfs/dbraw/zinc/46/09/43/522460943.db2.gz LBFMBKMHPDPJII-NRFANRHFSA-N 2 1 445.604 4.101 50 0 IIAAMP COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012475755 524073184 /nfs/dbraw/zinc/07/31/84/524073184.db2.gz BNSNLDMLAHAFFP-NRFANRHFSA-N 2 1 448.554 4.269 50 0 IIAAMP c1cc(C[NH2+]C2CCCCC2)n(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000020576323 526426179 /nfs/dbraw/zinc/42/61/79/526426179.db2.gz ZPGJQAXUBPJYPC-UHFFFAOYSA-N 2 1 436.629 4.073 50 0 IIAAMP O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012749727 526759130 /nfs/dbraw/zinc/75/91/30/526759130.db2.gz VGIMRXNVPKGIGB-QHCPKHFHSA-N 2 1 435.568 4.219 50 0 IIAAMP O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012749727 526759133 /nfs/dbraw/zinc/75/91/33/526759133.db2.gz VGIMRXNVPKGIGB-QHCPKHFHSA-N 2 1 435.568 4.219 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2sc(N(C)C)nc2Cl)CC2CC[NH+](C)CC2)cc1 ZINC000012003206 556385889 /nfs/dbraw/zinc/38/58/89/556385889.db2.gz NSDYRABXDDJJQZ-UHFFFAOYSA-N 2 1 437.053 4.258 50 0 IIAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc3ccccc3o2)C1 ZINC000012056891 556394490 /nfs/dbraw/zinc/39/44/90/556394490.db2.gz UUJOQRQVOHMWTE-NRFANRHFSA-N 2 1 449.595 4.357 50 0 IIAAMP CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccccc2)CCO3)C1 ZINC000014958912 556463557 /nfs/dbraw/zinc/46/35/57/556463557.db2.gz RBICZGAHVDWGTG-DEOSSOPVSA-N 2 1 435.612 4.162 50 0 IIAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccccc2)CCO3)C1 ZINC000014958912 556463559 /nfs/dbraw/zinc/46/35/59/556463559.db2.gz RBICZGAHVDWGTG-DEOSSOPVSA-N 2 1 435.612 4.162 50 0 IIAAMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC000014958912 556463561 /nfs/dbraw/zinc/46/35/61/556463561.db2.gz RBICZGAHVDWGTG-DEOSSOPVSA-N 2 1 435.612 4.162 50 0 IIAAMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccccc2)CCO3)C1 ZINC000014958912 556463562 /nfs/dbraw/zinc/46/35/62/556463562.db2.gz RBICZGAHVDWGTG-DEOSSOPVSA-N 2 1 435.612 4.162 50 0 IIAAMP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014965421 556465398 /nfs/dbraw/zinc/46/53/98/556465398.db2.gz FFSIZODKUFCCJD-XMMPIXPASA-N 2 1 444.591 4.171 50 0 IIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168596 556736996 /nfs/dbraw/zinc/73/69/96/556736996.db2.gz ZTOVWRXTPPDPFH-OAQYLSRUSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168596 556736998 /nfs/dbraw/zinc/73/69/98/556736998.db2.gz ZTOVWRXTPPDPFH-OAQYLSRUSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168596 556736999 /nfs/dbraw/zinc/73/69/99/556736999.db2.gz ZTOVWRXTPPDPFH-OAQYLSRUSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168596 556737000 /nfs/dbraw/zinc/73/70/00/556737000.db2.gz ZTOVWRXTPPDPFH-OAQYLSRUSA-N 2 1 442.600 4.108 50 0 IIAAMP CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH+]1CCC([NH+]2CCCCC2)CC1)C3 ZINC000023311846 557083301 /nfs/dbraw/zinc/08/33/01/557083301.db2.gz OIAPNEBFXWIHEQ-LJQANCHMSA-N 2 1 428.646 4.066 50 0 IIAAMP c1cc2nonc2c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000023360803 557087918 /nfs/dbraw/zinc/08/79/18/557087918.db2.gz XJYXROKRTJDSNJ-OAQYLSRUSA-N 2 1 425.621 4.165 50 0 IIAAMP CCOC(=O)N1CCC([N@@H+](CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000012703796 520923761 /nfs/dbraw/zinc/92/37/61/520923761.db2.gz KVHODWWMJMKROL-UHFFFAOYSA-N 2 1 445.648 4.486 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434966 521655055 /nfs/dbraw/zinc/65/50/55/521655055.db2.gz RITNWOXUNBJMTI-QHCPKHFHSA-N 2 1 443.035 4.481 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431802 521655172 /nfs/dbraw/zinc/65/51/72/521655172.db2.gz KQZAPXGPTTVCQX-FQEVSTJZSA-N 2 1 444.645 4.304 50 0 IIAAMP CCn1nc(C)c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020779665 523636973 /nfs/dbraw/zinc/63/69/73/523636973.db2.gz QGQPPCCAXYRVRU-DEOSSOPVSA-N 2 1 429.697 4.462 50 0 IIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)CC1 ZINC000012763144 526409739 /nfs/dbraw/zinc/40/97/39/526409739.db2.gz PBUJGNZPMWVERQ-JOCHJYFZSA-N 2 1 438.547 4.255 50 0 IIAAMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000011843395 556366730 /nfs/dbraw/zinc/36/67/30/556366730.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 2 1 432.568 4.101 50 0 IIAAMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000011843395 556366731 /nfs/dbraw/zinc/36/67/31/556366731.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 2 1 432.568 4.101 50 0 IIAAMP C[NH+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000011843395 556366733 /nfs/dbraw/zinc/36/67/33/556366733.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 2 1 432.568 4.101 50 0 IIAAMP C[NH+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000011843395 556366735 /nfs/dbraw/zinc/36/67/35/556366735.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 2 1 432.568 4.101 50 0 IIAAMP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014888594 556455873 /nfs/dbraw/zinc/45/58/73/556455873.db2.gz OVSAVFPCSWXTAE-GOTSBHOMSA-N 2 1 445.529 4.451 50 0 IIAAMP COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014955908 556462269 /nfs/dbraw/zinc/46/22/69/556462269.db2.gz BAOGVFBCVGCISF-JOCHJYFZSA-N 2 1 444.641 4.321 50 0 IIAAMP COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014955908 556462273 /nfs/dbraw/zinc/46/22/73/556462273.db2.gz BAOGVFBCVGCISF-JOCHJYFZSA-N 2 1 444.641 4.321 50 0 IIAAMP COc1cc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)ccc1F ZINC000014976092 556468749 /nfs/dbraw/zinc/46/87/49/556468749.db2.gz GVROKSVHOWTVQR-LJQANCHMSA-N 2 1 430.593 4.192 50 0 IIAAMP COCC[N@H+](Cc1c(OC)cccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015062203 556490617 /nfs/dbraw/zinc/49/06/17/556490617.db2.gz OAFCFFLHRHHSPA-UHFFFAOYSA-N 2 1 430.564 4.204 50 0 IIAAMP CC1CCN(c2nnc(-n3cccc3C[NH2+]CCC[N@H+](C)C3CCCCC3)s2)CC1 ZINC000007002030 569117530 /nfs/dbraw/zinc/11/75/30/569117530.db2.gz KKBBJQJSQHVYFP-UHFFFAOYSA-N 2 1 430.666 4.309 50 0 IIAAMP CC1CCN(c2nnc(-n3cccc3C[NH2+]CCC[N@@H+](C)C3CCCCC3)s2)CC1 ZINC000007002030 569117531 /nfs/dbraw/zinc/11/75/31/569117531.db2.gz KKBBJQJSQHVYFP-UHFFFAOYSA-N 2 1 430.666 4.309 50 0 IIAAMP O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000094993083 569355780 /nfs/dbraw/zinc/35/57/80/569355780.db2.gz NBCDEOGETXZCCJ-UHFFFAOYSA-N 2 1 425.576 4.052 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022851228 519670595 /nfs/dbraw/zinc/67/05/95/519670595.db2.gz SDPAXHSLKDBUAC-VWLOTQADSA-N 2 1 437.628 4.220 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022851228 519670598 /nfs/dbraw/zinc/67/05/98/519670598.db2.gz SDPAXHSLKDBUAC-VWLOTQADSA-N 2 1 437.628 4.220 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000012303552 521654368 /nfs/dbraw/zinc/65/43/68/521654368.db2.gz NAIAFWATWVDJDV-FQEVSTJZSA-N 2 1 425.539 4.298 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012457880 522462477 /nfs/dbraw/zinc/46/24/77/522462477.db2.gz MHIJBYSHKMWBRL-NRFANRHFSA-N 2 1 445.604 4.102 50 0 IIAAMP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000012307794 523767766 /nfs/dbraw/zinc/76/77/66/523767766.db2.gz VUQJOVQHGTXLBF-UHFFFAOYSA-N 2 1 441.019 4.184 50 0 IIAAMP COc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000011816448 556359082 /nfs/dbraw/zinc/35/90/82/556359082.db2.gz XSVKSOGOARFPIU-DEOSSOPVSA-N 2 1 435.612 4.032 50 0 IIAAMP COc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000011816448 556359084 /nfs/dbraw/zinc/35/90/84/556359084.db2.gz XSVKSOGOARFPIU-DEOSSOPVSA-N 2 1 435.612 4.032 50 0 IIAAMP Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)CCCC[NH+]2CCOCC2)o1 ZINC000011879704 556371772 /nfs/dbraw/zinc/37/17/72/556371772.db2.gz UHBOEFQHIRUCOA-UHFFFAOYSA-N 2 1 426.536 4.124 50 0 IIAAMP COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000011933165 556376902 /nfs/dbraw/zinc/37/69/02/556376902.db2.gz YSHHYWFRBSENMH-OAQYLSRUSA-N 2 1 437.628 4.393 50 0 IIAAMP C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028135 556388151 /nfs/dbraw/zinc/38/81/51/556388151.db2.gz UBNUXBIWYOHUHO-VWLOTQADSA-N 2 1 433.596 4.245 50 0 IIAAMP COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014955903 556462400 /nfs/dbraw/zinc/46/24/00/556462400.db2.gz BAOGVFBCVGCISF-QFIPXVFZSA-N 2 1 444.641 4.321 50 0 IIAAMP COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014955903 556462403 /nfs/dbraw/zinc/46/24/03/556462403.db2.gz BAOGVFBCVGCISF-QFIPXVFZSA-N 2 1 444.641 4.321 50 0 IIAAMP COc1ccccc1C1=C2C(=N)N(CCN(C)C)C=N[C@@H]2Oc2c3ccccc3ccc21 ZINC000044928674 557541027 /nfs/dbraw/zinc/54/10/27/557541027.db2.gz IWIYELOFINTKPO-AREMUKBSSA-N 2 1 426.520 4.252 50 0 IIAAMP O[C@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000012301219 568612976 /nfs/dbraw/zinc/61/29/76/568612976.db2.gz NECGDKSXTQVGPH-SANMLTNESA-N 2 1 428.576 4.264 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431801 521634062 /nfs/dbraw/zinc/63/40/62/521634062.db2.gz KQZAPXGPTTVCQX-HXUWFJFHSA-N 2 1 444.645 4.304 50 0 IIAAMP COc1cc(OC)c(OC)cc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012201944 522819978 /nfs/dbraw/zinc/81/99/78/522819978.db2.gz LPIRKGZACMTBOC-HSZRJFAPSA-N 2 1 446.632 4.348 50 0 IIAAMP COCCCC1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012299242 523088092 /nfs/dbraw/zinc/08/80/92/523088092.db2.gz MJSGRPGGLKXVSE-SANMLTNESA-N 2 1 440.628 4.197 50 0 IIAAMP COCC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835583 523829016 /nfs/dbraw/zinc/82/90/16/523829016.db2.gz LCRFBQZLFWFDCF-OAQYLSRUSA-N 2 1 434.584 4.327 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949375 /nfs/dbraw/zinc/94/93/75/523949375.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949377 /nfs/dbraw/zinc/94/93/77/523949377.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949380 /nfs/dbraw/zinc/94/93/80/523949380.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(C[N@@H+](C)C2CCCCC2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012300010 524001766 /nfs/dbraw/zinc/00/17/66/524001766.db2.gz MVCFNDDMAJUCOX-DEOSSOPVSA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccc(C[NH+](C)C2CCCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012300010 524001769 /nfs/dbraw/zinc/00/17/69/524001769.db2.gz MVCFNDDMAJUCOX-DEOSSOPVSA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccc(C[NH+](C)C2CCCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012300010 524001771 /nfs/dbraw/zinc/00/17/71/524001771.db2.gz MVCFNDDMAJUCOX-DEOSSOPVSA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012764269 524072824 /nfs/dbraw/zinc/07/28/24/524072824.db2.gz ORZREBNLGNCKCQ-JOCHJYFZSA-N 2 1 448.554 4.269 50 0 IIAAMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012753239 525650394 /nfs/dbraw/zinc/65/03/94/525650394.db2.gz KQTQALWTGYNXFX-NRFANRHFSA-N 2 1 437.628 4.393 50 0 IIAAMP Cc1ccc([C@H]2C[N@H+](Cc3cccn3C)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097954618 556850452 /nfs/dbraw/zinc/85/04/52/556850452.db2.gz IFCGKIDDASYPJS-LBNVMWSVSA-N 2 1 428.624 4.371 50 0 IIAAMP Cc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097954618 556850456 /nfs/dbraw/zinc/85/04/56/556850456.db2.gz IFCGKIDDASYPJS-LBNVMWSVSA-N 2 1 428.624 4.371 50 0 IIAAMP c1cc2c(c(CN(CC[NH+]3CCCCC3)C[C@H]3CCC[N@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733273 556877023 /nfs/dbraw/zinc/87/70/23/556877023.db2.gz HZYUKNXZFFEUQD-JOCHJYFZSA-N 2 1 427.633 4.358 50 0 IIAAMP COCc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015068193 568635110 /nfs/dbraw/zinc/63/51/10/568635110.db2.gz NLVYGMMHCXWEAA-VWLOTQADSA-N 2 1 430.633 4.477 50 0 IIAAMP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000299756905 568755515 /nfs/dbraw/zinc/75/55/15/568755515.db2.gz JZTANNMJKVJSOA-KSEOMHKRSA-N 2 1 437.550 4.441 50 0 IIAAMP O=C(C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000009849756 569571408 /nfs/dbraw/zinc/57/14/08/569571408.db2.gz HJOITYMAARDZDH-UHFFFAOYSA-N 2 1 445.529 4.262 50 0 IIAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(OC)c1OC ZINC000012467441 524001655 /nfs/dbraw/zinc/00/16/55/524001655.db2.gz IBXBOGLIGASKGC-UHFFFAOYSA-N 2 1 430.564 4.238 50 0 IIAAMP COc1ccccc1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012714568 524434918 /nfs/dbraw/zinc/43/49/18/524434918.db2.gz RZTMKHGHLVSSQM-XMMPIXPASA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccccc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012714568 524434923 /nfs/dbraw/zinc/43/49/23/524434923.db2.gz RZTMKHGHLVSSQM-XMMPIXPASA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccccc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012714568 524434925 /nfs/dbraw/zinc/43/49/25/524434925.db2.gz RZTMKHGHLVSSQM-XMMPIXPASA-N 2 1 426.601 4.331 50 0 IIAAMP c1ccc2c(c1)CC([NH+]1CCC(C[N@@H+](Cc3ccc4nonc4c3)C[C@H]3CCCO3)CC1)C2 ZINC000014957617 556462622 /nfs/dbraw/zinc/46/26/22/556462622.db2.gz KRGMMZFWWJRCFN-RUZDIDTESA-N 2 1 446.595 4.083 50 0 IIAAMP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014962671 556464685 /nfs/dbraw/zinc/46/46/85/556464685.db2.gz GWSMDOAHDLUZJU-DEOSSOPVSA-N 2 1 426.601 4.298 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000014975415 556468340 /nfs/dbraw/zinc/46/83/40/556468340.db2.gz KOCUTNXTNZUUFN-VWLOTQADSA-N 2 1 434.580 4.199 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccccc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014975415 556468341 /nfs/dbraw/zinc/46/83/41/556468341.db2.gz KOCUTNXTNZUUFN-VWLOTQADSA-N 2 1 434.580 4.199 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccccc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014975415 556468342 /nfs/dbraw/zinc/46/83/42/556468342.db2.gz KOCUTNXTNZUUFN-VWLOTQADSA-N 2 1 434.580 4.199 50 0 IIAAMP c1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000015064122 556491595 /nfs/dbraw/zinc/49/15/95/556491595.db2.gz NHMZGYYEOWFDPZ-UHFFFAOYSA-N 2 1 430.600 4.319 50 0 IIAAMP CC[N@@H+](Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000034836522 556583169 /nfs/dbraw/zinc/58/31/69/556583169.db2.gz RNTCFIAPZJQCDD-UHFFFAOYSA-N 2 1 435.591 4.484 50 0 IIAAMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368402 556748820 /nfs/dbraw/zinc/74/88/20/556748820.db2.gz UBEBWXBGIMCBDR-KDURUIRLSA-N 2 1 431.024 4.214 50 0 IIAAMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368402 556748822 /nfs/dbraw/zinc/74/88/22/556748822.db2.gz UBEBWXBGIMCBDR-KDURUIRLSA-N 2 1 431.024 4.214 50 0 IIAAMP CC(=O)c1cccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019791484 556915172 /nfs/dbraw/zinc/91/51/72/556915172.db2.gz MKKCACZXKOLTJL-UHFFFAOYSA-N 2 1 434.628 4.093 50 0 IIAAMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012457868 519826531 /nfs/dbraw/zinc/82/65/31/519826531.db2.gz VZDAFRMMKGPBRO-HHHXNRCGSA-N 2 1 449.639 4.185 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000012303551 521634514 /nfs/dbraw/zinc/63/45/14/521634514.db2.gz NAIAFWATWVDJDV-HXUWFJFHSA-N 2 1 425.539 4.298 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434965 521634812 /nfs/dbraw/zinc/63/48/12/521634812.db2.gz RITNWOXUNBJMTI-HSZRJFAPSA-N 2 1 443.035 4.481 50 0 IIAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807916 521667049 /nfs/dbraw/zinc/66/70/49/521667049.db2.gz LUULFFFVYOIHIR-NQIIRXRSSA-N 2 1 439.003 4.095 50 0 IIAAMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012594669 523045213 /nfs/dbraw/zinc/04/52/13/523045213.db2.gz YOVWNJUSEWGOPL-XMMPIXPASA-N 2 1 449.639 4.186 50 0 IIAAMP Cc1cc([C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716794 555866420 /nfs/dbraw/zinc/86/64/20/555866420.db2.gz PHVGGZWKGIOIJO-NHCUHLMSSA-N 2 1 431.983 4.071 50 0 IIAAMP COc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000011816447 556359108 /nfs/dbraw/zinc/35/91/08/556359108.db2.gz XSVKSOGOARFPIU-XMMPIXPASA-N 2 1 435.612 4.032 50 0 IIAAMP COc1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000011816447 556359110 /nfs/dbraw/zinc/35/91/10/556359110.db2.gz XSVKSOGOARFPIU-XMMPIXPASA-N 2 1 435.612 4.032 50 0 IIAAMP COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818839 556360418 /nfs/dbraw/zinc/36/04/18/556360418.db2.gz FRMNMIDBGBERQY-JOCHJYFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818839 556360421 /nfs/dbraw/zinc/36/04/21/556360421.db2.gz FRMNMIDBGBERQY-JOCHJYFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818839 556360422 /nfs/dbraw/zinc/36/04/22/556360422.db2.gz FRMNMIDBGBERQY-JOCHJYFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818839 556360424 /nfs/dbraw/zinc/36/04/24/556360424.db2.gz FRMNMIDBGBERQY-JOCHJYFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000011938396 556379906 /nfs/dbraw/zinc/37/99/06/556379906.db2.gz KFURUWMVTFYZTR-UHFFFAOYSA-N 2 1 440.607 4.038 50 0 IIAAMP COc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000011938396 556379908 /nfs/dbraw/zinc/37/99/08/556379908.db2.gz KFURUWMVTFYZTR-UHFFFAOYSA-N 2 1 440.607 4.038 50 0 IIAAMP CCC[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)CC1CC1 ZINC000019741524 556883934 /nfs/dbraw/zinc/88/39/34/556883934.db2.gz RRPYPOCULUHHPB-UHFFFAOYSA-N 2 1 437.632 4.047 50 0 IIAAMP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000299756902 568755396 /nfs/dbraw/zinc/75/53/96/568755396.db2.gz JZTANNMJKVJSOA-ILWGZMRPSA-N 2 1 437.550 4.441 50 0 IIAAMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000252522976 569189591 /nfs/dbraw/zinc/18/95/91/569189591.db2.gz BOLHZOHEUOVICL-CRXYYGHGSA-N 3 1 447.667 4.424 50 0 IIAAMP CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000253398855 569264832 /nfs/dbraw/zinc/26/48/32/569264832.db2.gz CITUMNNQLWFKLD-AZGAKELHSA-N 2 1 431.624 4.431 50 0 biogenic IIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2CCO)CC1 ZINC000020599092 519670003 /nfs/dbraw/zinc/67/00/03/519670003.db2.gz MUNPOHATVIWYMF-NRFANRHFSA-N 2 1 446.035 4.341 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2CCO)CC1 ZINC000020599092 519670006 /nfs/dbraw/zinc/67/00/06/519670006.db2.gz MUNPOHATVIWYMF-NRFANRHFSA-N 2 1 446.035 4.341 50 0 IIAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597350 521747865 /nfs/dbraw/zinc/74/78/65/521747865.db2.gz LQVSACKBRQBKKS-OAQYLSRUSA-N 2 1 448.586 4.290 50 0 IIAAMP CN(C)c1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000020912481 522339326 /nfs/dbraw/zinc/33/93/26/522339326.db2.gz PCYRRVOHANYCBV-OAQYLSRUSA-N 2 1 433.710 4.152 50 0 IIAAMP COc1cc(C[N@@H+](C)Cc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012457806 522354488 /nfs/dbraw/zinc/35/44/88/522354488.db2.gz OEBJTPQEBVEBPR-XMMPIXPASA-N 2 1 426.601 4.333 50 0 IIAAMP C[N@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261325 /nfs/dbraw/zinc/26/13/25/523261325.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 2 1 441.019 4.256 50 0 IIAAMP C[NH+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261332 /nfs/dbraw/zinc/26/13/32/523261332.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 2 1 441.019 4.256 50 0 IIAAMP C[NH+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261342 /nfs/dbraw/zinc/26/13/42/523261342.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 2 1 441.019 4.256 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948873 /nfs/dbraw/zinc/94/88/73/523948873.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948875 /nfs/dbraw/zinc/94/88/75/523948875.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948881 /nfs/dbraw/zinc/94/88/81/523948881.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012764263 524073139 /nfs/dbraw/zinc/07/31/39/524073139.db2.gz ORZREBNLGNCKCQ-QFIPXVFZSA-N 2 1 448.554 4.269 50 0 IIAAMP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000012212233 527085441 /nfs/dbraw/zinc/08/54/41/527085441.db2.gz IFXOICTYFSWWTG-UHFFFAOYSA-N 2 1 435.588 4.051 50 0 IIAAMP COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000011818093 556360565 /nfs/dbraw/zinc/36/05/65/556360565.db2.gz KTOHRJCMWLSQBX-XMMPIXPASA-N 2 1 435.612 4.032 50 0 IIAAMP COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000011818093 556360569 /nfs/dbraw/zinc/36/05/69/556360569.db2.gz KTOHRJCMWLSQBX-XMMPIXPASA-N 2 1 435.612 4.032 50 0 IIAAMP CCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c(C)n1 ZINC000011844072 556367031 /nfs/dbraw/zinc/36/70/31/556367031.db2.gz DIKZVMMSHCWWSI-DEOSSOPVSA-N 2 1 428.596 4.244 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091334 556402345 /nfs/dbraw/zinc/40/23/45/556402345.db2.gz GPJROQBMDZDMMJ-VWLOTQADSA-N 3 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091334 556402349 /nfs/dbraw/zinc/40/23/49/556402349.db2.gz GPJROQBMDZDMMJ-VWLOTQADSA-N 3 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091334 556402352 /nfs/dbraw/zinc/40/23/52/556402352.db2.gz GPJROQBMDZDMMJ-VWLOTQADSA-N 3 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091334 556402353 /nfs/dbraw/zinc/40/23/53/556402353.db2.gz GPJROQBMDZDMMJ-VWLOTQADSA-N 2 1 439.644 4.022 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091334 556402356 /nfs/dbraw/zinc/40/23/56/556402356.db2.gz GPJROQBMDZDMMJ-VWLOTQADSA-N 2 1 439.644 4.022 50 0 IIAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716115 /nfs/dbraw/zinc/71/61/15/556716115.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716119 /nfs/dbraw/zinc/71/61/19/556716119.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716121 /nfs/dbraw/zinc/71/61/21/556716121.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716124 /nfs/dbraw/zinc/71/61/24/556716124.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716179 /nfs/dbraw/zinc/71/61/79/556716179.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716180 /nfs/dbraw/zinc/71/61/80/556716180.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716181 /nfs/dbraw/zinc/71/61/81/556716181.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716183 /nfs/dbraw/zinc/71/61/83/556716183.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000060368404 556748795 /nfs/dbraw/zinc/74/87/95/556748795.db2.gz UBEBWXBGIMCBDR-OALUTQOASA-N 2 1 431.024 4.214 50 0 IIAAMP COc1ccccc1C1=C2C(=N)N(CCN(C)C)C=N[C@H]2Oc2c3ccccc3ccc21 ZINC000044928672 557541037 /nfs/dbraw/zinc/54/10/37/557541037.db2.gz IWIYELOFINTKPO-SANMLTNESA-N 2 1 426.520 4.252 50 0 IIAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725726 562982991 /nfs/dbraw/zinc/98/29/91/562982991.db2.gz UCIMUKXLDLVTCK-IBGZPJMESA-N 2 1 431.983 4.395 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]2C)cc1 ZINC000095995582 569378643 /nfs/dbraw/zinc/37/86/43/569378643.db2.gz UDPPIVFUNBNKIB-LCKKVJLRSA-N 2 1 431.621 4.313 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]2C)cc1 ZINC000095995582 569378644 /nfs/dbraw/zinc/37/86/44/569378644.db2.gz UDPPIVFUNBNKIB-LCKKVJLRSA-N 2 1 431.621 4.313 50 0 IIAAMP COc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012303968 522466233 /nfs/dbraw/zinc/46/62/33/522466233.db2.gz UNJWGLBDTJNPGM-OAQYLSRUSA-N 2 1 448.554 4.267 50 0 IIAAMP COc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012303968 522466248 /nfs/dbraw/zinc/46/62/48/522466248.db2.gz UNJWGLBDTJNPGM-OAQYLSRUSA-N 2 1 448.554 4.267 50 0 IIAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436311 523100257 /nfs/dbraw/zinc/10/02/57/523100257.db2.gz RKMXLBZHEFAEJT-SANMLTNESA-N 2 1 437.628 4.465 50 0 IIAAMP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000011773456 556350653 /nfs/dbraw/zinc/35/06/53/556350653.db2.gz ZIXGOXOYWXKOKO-QHCPKHFHSA-N 2 1 441.591 4.044 50 0 IIAAMP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011838937 556363794 /nfs/dbraw/zinc/36/37/94/556363794.db2.gz IMPBQOKEXJOVOS-XMMPIXPASA-N 2 1 426.601 4.298 50 0 IIAAMP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011838934 556363917 /nfs/dbraw/zinc/36/39/17/556363917.db2.gz IMPBQOKEXJOVOS-DEOSSOPVSA-N 2 1 426.601 4.298 50 0 IIAAMP O=C(CC[C@H]1CCC[N@@H+](CCCC(F)(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011874441 556370533 /nfs/dbraw/zinc/37/05/33/556370533.db2.gz JTUCQPXOAUHTQE-OAQYLSRUSA-N 2 1 425.539 4.166 50 0 IIAAMP O=C(CC[C@H]1CCC[N@H+](CCCC(F)(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011874441 556370536 /nfs/dbraw/zinc/37/05/36/556370536.db2.gz JTUCQPXOAUHTQE-OAQYLSRUSA-N 2 1 425.539 4.166 50 0 IIAAMP COc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000014962610 556464518 /nfs/dbraw/zinc/46/45/18/556464518.db2.gz PDXRPHNYSGPRGI-QHCPKHFHSA-N 2 1 446.632 4.348 50 0 IIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063791 556491490 /nfs/dbraw/zinc/49/14/90/556491490.db2.gz JSGACFNCXINNLO-GOSISDBHSA-N 2 1 432.553 4.036 50 0 IIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063791 556491491 /nfs/dbraw/zinc/49/14/91/556491491.db2.gz JSGACFNCXINNLO-GOSISDBHSA-N 2 1 432.553 4.036 50 0 IIAAMP Cc1cc(N2CCC([N@H+](C)CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)nc(C)[nH+]1 ZINC000072308287 556565890 /nfs/dbraw/zinc/56/58/90/556565890.db2.gz YATLELOZPCKZFO-UHFFFAOYSA-N 2 1 429.568 4.300 50 0 IIAAMP Cc1cc(N2CCC([N@@H+](C)CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)nc(C)[nH+]1 ZINC000072308287 556565893 /nfs/dbraw/zinc/56/58/93/556565893.db2.gz YATLELOZPCKZFO-UHFFFAOYSA-N 2 1 429.568 4.300 50 0 IIAAMP OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011754018 556651412 /nfs/dbraw/zinc/65/14/12/556651412.db2.gz PYGMBZWJEZXOTA-SANMLTNESA-N 2 1 428.567 4.289 50 0 IIAAMP OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011754018 556651415 /nfs/dbraw/zinc/65/14/15/556651415.db2.gz PYGMBZWJEZXOTA-SANMLTNESA-N 2 1 428.567 4.289 50 0 IIAAMP CC[N@@H+](CC1CC[NH+](C2CCN(C)CC2)CC1)C1CCN(c2cccc(Cl)c2)CC1 ZINC000019226818 556717040 /nfs/dbraw/zinc/71/70/40/556717040.db2.gz VUSFQPLDHLAVPT-UHFFFAOYSA-N 2 1 433.084 4.437 50 0 IIAAMP CC[N@H+](CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCN(c2cccc(Cl)c2)CC1 ZINC000019226818 556717042 /nfs/dbraw/zinc/71/70/42/556717042.db2.gz VUSFQPLDHLAVPT-UHFFFAOYSA-N 3 1 433.084 4.437 50 0 IIAAMP CC[N@@H+](CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCN(c2cccc(Cl)c2)CC1 ZINC000019226818 556717044 /nfs/dbraw/zinc/71/70/44/556717044.db2.gz VUSFQPLDHLAVPT-UHFFFAOYSA-N 3 1 433.084 4.437 50 0 IIAAMP COCC[N@H+](Cc1cccn1-c1ccccn1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012431905 523757670 /nfs/dbraw/zinc/75/76/70/523757670.db2.gz VHUOALACQRTEFW-UHFFFAOYSA-N 2 1 436.575 4.372 50 0 IIAAMP Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000020452288 524448209 /nfs/dbraw/zinc/44/82/09/524448209.db2.gz WORNQRHTIKXJKP-HSZRJFAPSA-N 2 1 425.642 4.393 50 0 IIAAMP Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000020452288 524448217 /nfs/dbraw/zinc/44/82/17/524448217.db2.gz WORNQRHTIKXJKP-HSZRJFAPSA-N 2 1 425.642 4.393 50 0 IIAAMP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1C ZINC000012711765 526072761 /nfs/dbraw/zinc/07/27/61/526072761.db2.gz BOEYOXIHYMPAFX-QFIPXVFZSA-N 2 1 425.592 4.359 50 0 IIAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012445355 527420804 /nfs/dbraw/zinc/42/08/04/527420804.db2.gz LUYTVNZUKNVGRH-UHFFFAOYSA-N 2 1 442.995 4.079 50 0 IIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012190792 527692196 /nfs/dbraw/zinc/69/21/96/527692196.db2.gz QTJYPFIHXFPFBY-AREMUKBSSA-N 2 1 435.591 4.218 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011933144 556376528 /nfs/dbraw/zinc/37/65/28/556376528.db2.gz IICMSWKYIHKMDD-FQEVSTJZSA-N 2 1 434.024 4.340 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074978 556498922 /nfs/dbraw/zinc/49/89/22/556498922.db2.gz QRGBIAUVAZGENO-NRFANRHFSA-N 2 1 440.632 4.078 50 0 IIAAMP COCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000015078080 556499848 /nfs/dbraw/zinc/49/98/48/556499848.db2.gz NFVYXIWYJMYMCB-VWLOTQADSA-N 2 1 438.612 4.286 50 0 IIAAMP c1cc2nonc2c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000023360801 557087829 /nfs/dbraw/zinc/08/78/29/557087829.db2.gz XJYXROKRTJDSNJ-NRFANRHFSA-N 2 1 425.621 4.165 50 0 IIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011873366 569262952 /nfs/dbraw/zinc/26/29/52/569262952.db2.gz HJGLSMNLHJTEND-UHFFFAOYSA-N 2 1 437.506 4.341 50 0 IIAAMP Cc1ccc([C@H](C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)[NH+](C)C)cc1 ZINC000055088435 193935043 /nfs/dbraw/zinc/93/50/43/193935043.db2.gz YBFISWWKIQFGPV-RUZDIDTESA-N 2 1 425.592 4.150 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012596854 524005554 /nfs/dbraw/zinc/00/55/54/524005554.db2.gz GMOKQICMMRSOGF-JOCHJYFZSA-N 2 1 443.563 4.028 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012596854 524005559 /nfs/dbraw/zinc/00/55/59/524005559.db2.gz GMOKQICMMRSOGF-JOCHJYFZSA-N 2 1 443.563 4.028 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012596854 524005565 /nfs/dbraw/zinc/00/55/65/524005565.db2.gz GMOKQICMMRSOGF-JOCHJYFZSA-N 2 1 443.563 4.028 50 0 IIAAMP COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012475759 524073435 /nfs/dbraw/zinc/07/34/35/524073435.db2.gz BNSNLDMLAHAFFP-OAQYLSRUSA-N 2 1 448.554 4.269 50 0 IIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccc(OCCO)c2)CC(C)C)CC1 ZINC000012706582 524449867 /nfs/dbraw/zinc/44/98/67/524449867.db2.gz HIZKTBGLPMZFDH-UHFFFAOYSA-N 2 1 440.628 4.437 50 0 IIAAMP Cc1ccccc1-c1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000022909914 525005640 /nfs/dbraw/zinc/00/56/40/525005640.db2.gz CJGWBPHTQFCYQT-HHHXNRCGSA-N 2 1 435.656 4.403 50 0 IIAAMP CSc1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020906520 526221550 /nfs/dbraw/zinc/22/15/50/526221550.db2.gz UEOSNWPBVQJZGG-NRFANRHFSA-N 2 1 431.694 4.141 50 0 IIAAMP O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012749720 526755208 /nfs/dbraw/zinc/75/52/08/526755208.db2.gz VGIMRXNVPKGIGB-HSZRJFAPSA-N 2 1 435.568 4.219 50 0 IIAAMP O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012749720 526755217 /nfs/dbraw/zinc/75/52/17/526755217.db2.gz VGIMRXNVPKGIGB-HSZRJFAPSA-N 2 1 435.568 4.219 50 0 IIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012158941 527691545 /nfs/dbraw/zinc/69/15/45/527691545.db2.gz QMJDQDDZTULUDW-SANMLTNESA-N 2 1 435.591 4.218 50 0 IIAAMP Cc1cc([C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716795 555866397 /nfs/dbraw/zinc/86/63/97/555866397.db2.gz PHVGGZWKGIOIJO-LEWJYISDSA-N 2 1 431.983 4.071 50 0 IIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC000011840751 556364808 /nfs/dbraw/zinc/36/48/08/556364808.db2.gz WEPHZDNHTGOFBH-GOSISDBHSA-N 2 1 425.539 4.250 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011933143 556376566 /nfs/dbraw/zinc/37/65/66/556376566.db2.gz IICMSWKYIHKMDD-HXUWFJFHSA-N 2 1 434.024 4.340 50 0 IIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)C1CC[NH+](C)CC1 ZINC000011934835 556377964 /nfs/dbraw/zinc/37/79/64/556377964.db2.gz TZPATYRXRMHEIW-LJQANCHMSA-N 2 1 446.035 4.161 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)c2cccnc12 ZINC000012026917 556387771 /nfs/dbraw/zinc/38/77/71/556387771.db2.gz LETQJIRRNNNTCG-QHCPKHFHSA-N 2 1 449.595 4.101 50 0 IIAAMP COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012076254 556397849 /nfs/dbraw/zinc/39/78/49/556397849.db2.gz LELUKGPZQXVLFJ-HSZRJFAPSA-N 2 1 444.591 4.437 50 0 IIAAMP C[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)Cc1ccccc1 ZINC000055225877 556738347 /nfs/dbraw/zinc/73/83/47/556738347.db2.gz YVQXYZKVSDLTEJ-UHFFFAOYSA-N 2 1 445.611 4.057 50 0 IIAAMP C[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)Cc1ccccc1 ZINC000055225877 556738350 /nfs/dbraw/zinc/73/83/50/556738350.db2.gz YVQXYZKVSDLTEJ-UHFFFAOYSA-N 2 1 445.611 4.057 50 0 IIAAMP CCC[N@H+](Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079985 568636845 /nfs/dbraw/zinc/63/68/45/568636845.db2.gz WSJLLVCISRWGKI-XMMPIXPASA-N 2 1 426.601 4.189 50 0 IIAAMP CCC[NH+](Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079985 568636846 /nfs/dbraw/zinc/63/68/46/568636846.db2.gz WSJLLVCISRWGKI-XMMPIXPASA-N 2 1 426.601 4.189 50 0 IIAAMP CCC[NH+](Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079985 568636848 /nfs/dbraw/zinc/63/68/48/568636848.db2.gz WSJLLVCISRWGKI-XMMPIXPASA-N 2 1 426.601 4.189 50 0 IIAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(OC)cc(OC)c2)C[C@@]1(C)CO ZINC000020783332 521730161 /nfs/dbraw/zinc/73/01/61/521730161.db2.gz FANRUGUHMQRBOU-YGOYIFOWSA-N 2 1 432.992 4.281 50 0 IIAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(OC)cc(OC)c2)C[C@@]1(C)CO ZINC000020783332 521730162 /nfs/dbraw/zinc/73/01/62/521730162.db2.gz FANRUGUHMQRBOU-YGOYIFOWSA-N 2 1 432.992 4.281 50 0 IIAAMP COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc(OC)c1OC ZINC000012437414 521900502 /nfs/dbraw/zinc/90/05/02/521900502.db2.gz GWAOYTHVBQTDQB-FQEVSTJZSA-N 2 1 439.560 4.052 50 0 IIAAMP COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc(OC)c1OC ZINC000012437414 521900510 /nfs/dbraw/zinc/90/05/10/521900510.db2.gz GWAOYTHVBQTDQB-FQEVSTJZSA-N 2 1 439.560 4.052 50 0 IIAAMP CSc1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020906522 526221204 /nfs/dbraw/zinc/22/12/04/526221204.db2.gz UEOSNWPBVQJZGG-OAQYLSRUSA-N 2 1 431.694 4.141 50 0 IIAAMP Cc1[nH+]ccn1CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012430995 527435146 /nfs/dbraw/zinc/43/51/46/527435146.db2.gz QEQRHYPYIGEALF-QHCPKHFHSA-N 2 1 443.551 4.284 50 0 IIAAMP CC(C)n1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000011999110 556385236 /nfs/dbraw/zinc/38/52/36/556385236.db2.gz DIFHPKFXTWJMOS-DEOSSOPVSA-N 2 1 428.596 4.496 50 0 IIAAMP COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012051533 556392581 /nfs/dbraw/zinc/39/25/81/556392581.db2.gz SUDQJEZTBWPIQL-VWLOTQADSA-N 2 1 446.591 4.346 50 0 IIAAMP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014888590 556455853 /nfs/dbraw/zinc/45/58/53/556455853.db2.gz OVSAVFPCSWXTAE-XZOQPEGZSA-N 2 1 445.529 4.451 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2cc(OC)c(OC)cc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000014974213 556467801 /nfs/dbraw/zinc/46/78/01/556467801.db2.gz RDFHWFSGOGMTAX-UHFFFAOYSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1cc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)ccc1F ZINC000014976096 556468823 /nfs/dbraw/zinc/46/88/23/556468823.db2.gz GVROKSVHOWTVQR-IBGZPJMESA-N 2 1 430.593 4.192 50 0 IIAAMP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000013117303 556469570 /nfs/dbraw/zinc/46/95/70/556469570.db2.gz CTNMZXNMRMHTSE-UHFFFAOYSA-N 2 1 432.568 4.275 50 0 IIAAMP CC(=O)N1CCC([N@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000011933637 556675799 /nfs/dbraw/zinc/67/57/99/556675799.db2.gz VTFFJIRQGFOHRG-UHFFFAOYSA-N 2 1 434.628 4.115 50 0 IIAAMP COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055089855 556734396 /nfs/dbraw/zinc/73/43/96/556734396.db2.gz LVOKHKZEUIKTKU-NRFANRHFSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055089855 556734398 /nfs/dbraw/zinc/73/43/98/556734398.db2.gz LVOKHKZEUIKTKU-NRFANRHFSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055089855 556734399 /nfs/dbraw/zinc/73/43/99/556734399.db2.gz LVOKHKZEUIKTKU-NRFANRHFSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055089855 556734401 /nfs/dbraw/zinc/73/44/01/556734401.db2.gz LVOKHKZEUIKTKU-NRFANRHFSA-N 2 1 438.612 4.032 50 0 IIAAMP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368403 556748756 /nfs/dbraw/zinc/74/87/56/556748756.db2.gz UBEBWXBGIMCBDR-RTBURBONSA-N 2 1 431.024 4.214 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@@H]2CCO)CC1 ZINC000019835447 563023126 /nfs/dbraw/zinc/02/31/26/563023126.db2.gz MDPMYGUAEAFIOS-QHCPKHFHSA-N 2 1 446.035 4.341 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@@H]2CCO)CC1 ZINC000019835447 563023129 /nfs/dbraw/zinc/02/31/29/563023129.db2.gz MDPMYGUAEAFIOS-QHCPKHFHSA-N 2 1 446.035 4.341 50 0 IIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088463 563142287 /nfs/dbraw/zinc/14/22/87/563142287.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 2 1 432.992 4.449 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088463 563142288 /nfs/dbraw/zinc/14/22/88/563142288.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 2 1 432.992 4.449 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088463 563142289 /nfs/dbraw/zinc/14/22/89/563142289.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 2 1 432.992 4.449 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088463 563142290 /nfs/dbraw/zinc/14/22/90/563142290.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 2 1 432.992 4.449 50 0 IIAAMP CCC[N@H+](Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079981 568636809 /nfs/dbraw/zinc/63/68/09/568636809.db2.gz WSJLLVCISRWGKI-DEOSSOPVSA-N 2 1 426.601 4.189 50 0 IIAAMP CCC[NH+](Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079981 568636813 /nfs/dbraw/zinc/63/68/13/568636813.db2.gz WSJLLVCISRWGKI-DEOSSOPVSA-N 2 1 426.601 4.189 50 0 IIAAMP CCC[NH+](Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079981 568636817 /nfs/dbraw/zinc/63/68/17/568636817.db2.gz WSJLLVCISRWGKI-DEOSSOPVSA-N 2 1 426.601 4.189 50 0 IIAAMP CC(=O)c1cccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000020542357 518421969 /nfs/dbraw/zinc/42/19/69/518421969.db2.gz ZKKVCEALIMPOTL-QHCPKHFHSA-N 2 1 425.592 4.304 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccsc2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012703867 524007345 /nfs/dbraw/zinc/00/73/45/524007345.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 2 1 440.609 4.260 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccsc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012703867 524007347 /nfs/dbraw/zinc/00/73/47/524007347.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 2 1 440.609 4.260 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccsc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012703867 524007352 /nfs/dbraw/zinc/00/73/52/524007352.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 2 1 440.609 4.260 50 0 IIAAMP Cc1[nH+]ccn1CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000012430994 527435264 /nfs/dbraw/zinc/43/52/64/527435264.db2.gz QEQRHYPYIGEALF-HSZRJFAPSA-N 2 1 443.551 4.284 50 0 IIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1)C1CC[NH+](C)CC1 ZINC000011717151 556348434 /nfs/dbraw/zinc/34/84/34/556348434.db2.gz WVIIMWNPIKIHCX-HXUWFJFHSA-N 2 1 440.657 4.355 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011841518 556365088 /nfs/dbraw/zinc/36/50/88/556365088.db2.gz OUDWWNXBZOYCJF-DEOSSOPVSA-N 2 1 444.591 4.437 50 0 IIAAMP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014888596 556455886 /nfs/dbraw/zinc/45/58/86/556455886.db2.gz OVSAVFPCSWXTAE-PKTZIBPZSA-N 2 1 445.529 4.451 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]2C)cc1 ZINC000095995579 569378563 /nfs/dbraw/zinc/37/85/63/569378563.db2.gz UDPPIVFUNBNKIB-VXPBHUBDSA-N 2 1 431.621 4.313 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]2C)cc1 ZINC000095995579 569378564 /nfs/dbraw/zinc/37/85/64/569378564.db2.gz UDPPIVFUNBNKIB-VXPBHUBDSA-N 2 1 431.621 4.313 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]2C)cc1 ZINC000095995580 569378587 /nfs/dbraw/zinc/37/85/87/569378587.db2.gz UDPPIVFUNBNKIB-ZVXPMLRVSA-N 2 1 431.621 4.313 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]2C)cc1 ZINC000095995580 569378588 /nfs/dbraw/zinc/37/85/88/569378588.db2.gz UDPPIVFUNBNKIB-ZVXPMLRVSA-N 2 1 431.621 4.313 50 0 IIAAMP CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000012440790 518420985 /nfs/dbraw/zinc/42/09/85/518420985.db2.gz GGGFUHBWIJFDNS-VWLOTQADSA-N 2 1 447.623 4.226 50 0 IIAAMP CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000012440790 518420990 /nfs/dbraw/zinc/42/09/90/518420990.db2.gz GGGFUHBWIJFDNS-VWLOTQADSA-N 2 1 447.623 4.226 50 0 IIAAMP CN(C)c1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000020912477 522340503 /nfs/dbraw/zinc/34/05/03/522340503.db2.gz PCYRRVOHANYCBV-NRFANRHFSA-N 2 1 433.710 4.152 50 0 IIAAMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000012744909 523244282 /nfs/dbraw/zinc/24/42/82/523244282.db2.gz URZPDEYQUCHEAK-UHFFFAOYSA-N 2 1 443.526 4.404 50 0 IIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc(N(C)C)s2)C[C@@H]2CCCO2)CC1 ZINC000012466972 525136300 /nfs/dbraw/zinc/13/63/00/525136300.db2.gz ONFAPQSQEYXDCL-QHCPKHFHSA-N 2 1 442.673 4.411 50 0 IIAAMP Cn1cnnc1Sc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)o1 ZINC000011817958 556360431 /nfs/dbraw/zinc/36/04/31/556360431.db2.gz WNEIDQONULLMFW-UHFFFAOYSA-N 2 1 443.592 4.085 50 0 IIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC000011840749 556364825 /nfs/dbraw/zinc/36/48/25/556364825.db2.gz WEPHZDNHTGOFBH-SFHVURJKSA-N 2 1 425.539 4.250 50 0 IIAAMP CCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c(C)n1 ZINC000011844073 556367125 /nfs/dbraw/zinc/36/71/25/556367125.db2.gz DIKZVMMSHCWWSI-XMMPIXPASA-N 2 1 428.596 4.244 50 0 IIAAMP CC(C)c1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cs1 ZINC000011933210 556376925 /nfs/dbraw/zinc/37/69/25/556376925.db2.gz XKROPQPGNHRUAY-LJQANCHMSA-N 2 1 446.636 4.322 50 0 IIAAMP CCCC[C@@H]1C[N@@H+](CCC(=O)NC[C@@H]2CCC[NH+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970859 556382632 /nfs/dbraw/zinc/38/26/32/556382632.db2.gz KYMKQQSRKKHYRX-QPTUXGOLSA-N 2 1 427.633 4.211 50 0 IIAAMP CCCC[C@@H]1C[NH+](CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970859 556382636 /nfs/dbraw/zinc/38/26/36/556382636.db2.gz KYMKQQSRKKHYRX-QPTUXGOLSA-N 2 1 427.633 4.211 50 0 IIAAMP CCCC[C@@H]1C[NH+](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970859 556382639 /nfs/dbraw/zinc/38/26/39/556382639.db2.gz KYMKQQSRKKHYRX-QPTUXGOLSA-N 2 1 427.633 4.211 50 0 IIAAMP COCC[N@H+](Cc1cc(OC)cc(OC)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011711831 556643211 /nfs/dbraw/zinc/64/32/11/556643211.db2.gz VBZHEUBOEPTTLI-UHFFFAOYSA-N 2 1 442.600 4.073 50 0 IIAAMP Cc1ccccc1-c1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023153321 557069333 /nfs/dbraw/zinc/06/93/33/557069333.db2.gz CJGWBPHTQFCYQT-MHZLTWQESA-N 2 1 435.656 4.403 50 0 IIAAMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000225634142 557754785 /nfs/dbraw/zinc/75/47/85/557754785.db2.gz BOLHZOHEUOVICL-XNFLFYSQSA-N 3 1 447.667 4.424 50 0 IIAAMP CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NN2CC[NH+](C)CC2)cc1 ZINC000002974802 569433553 /nfs/dbraw/zinc/43/35/53/569433553.db2.gz ZETFBVMEHAYDRH-UHFFFAOYSA-N 2 1 428.540 4.061 50 0 IIAAMP CC(=O)c1cccc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705933 518422274 /nfs/dbraw/zinc/42/22/74/518422274.db2.gz IINOPAQUWWSCNT-HHHXNRCGSA-N 2 1 447.623 4.272 50 0 IIAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807931 521667721 /nfs/dbraw/zinc/66/77/21/521667721.db2.gz LUULFFFVYOIHIR-GHTZIAJQSA-N 2 1 439.003 4.095 50 0 IIAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807921 521667984 /nfs/dbraw/zinc/66/79/84/521667984.db2.gz LUULFFFVYOIHIR-RXVVDRJESA-N 2 1 439.003 4.095 50 0 IIAAMP COCC[N@H+](Cc1ccc(-n2cccn2)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012718397 523742311 /nfs/dbraw/zinc/74/23/11/523742311.db2.gz XPUXONUYQWIJER-UHFFFAOYSA-N 2 1 448.611 4.242 50 0 IIAAMP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1C ZINC000012711760 526072409 /nfs/dbraw/zinc/07/24/09/526072409.db2.gz BOEYOXIHYMPAFX-JOCHJYFZSA-N 2 1 425.592 4.359 50 0 IIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012190791 527691509 /nfs/dbraw/zinc/69/15/09/527691509.db2.gz QTJYPFIHXFPFBY-SANMLTNESA-N 2 1 435.591 4.218 50 0 IIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000008373826 556158545 /nfs/dbraw/zinc/15/85/45/556158545.db2.gz KWKFABSYBNFHDZ-UHFFFAOYSA-N 2 1 425.342 4.217 50 0 IIAAMP COc1ccc(-n2ccnc2C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000011819888 556362049 /nfs/dbraw/zinc/36/20/49/556362049.db2.gz CXXGYTHJCVQCHW-UHFFFAOYSA-N 2 1 436.575 4.407 50 0 IIAAMP COc1ccc(-n2ccnc2C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000011819888 556362053 /nfs/dbraw/zinc/36/20/53/556362053.db2.gz CXXGYTHJCVQCHW-UHFFFAOYSA-N 2 1 436.575 4.407 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2nccn2-c2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000011936106 556378358 /nfs/dbraw/zinc/37/83/58/556378358.db2.gz DZBCYTGZYDWBJE-UHFFFAOYSA-N 2 1 448.611 4.276 50 0 IIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063792 556491463 /nfs/dbraw/zinc/49/14/63/556491463.db2.gz JSGACFNCXINNLO-SFHVURJKSA-N 2 1 432.553 4.036 50 0 IIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063792 556491464 /nfs/dbraw/zinc/49/14/64/556491464.db2.gz JSGACFNCXINNLO-SFHVURJKSA-N 2 1 432.553 4.036 50 0 IIAAMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH+]1CCC(OCCC[NH+](C)C)CC1 ZINC000097032521 556979186 /nfs/dbraw/zinc/97/91/86/556979186.db2.gz MBOGRVGULJOFOB-UHFFFAOYSA-N 2 1 425.404 4.420 50 0 IIAAMP Cc1ccc([C@@H]2C[N@H+](Cc3cccn3C)C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000230144575 569439458 /nfs/dbraw/zinc/43/94/58/569439458.db2.gz IFCGKIDDASYPJS-NAKRPHOHSA-N 2 1 428.624 4.371 50 0 IIAAMP Cc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000230144575 569439459 /nfs/dbraw/zinc/43/94/59/569439459.db2.gz IFCGKIDDASYPJS-NAKRPHOHSA-N 2 1 428.624 4.371 50 0 IIAAMP CC(C)c1nc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cs1 ZINC000012704799 519863950 /nfs/dbraw/zinc/86/39/50/519863950.db2.gz CKVWESMYPLAJIR-QHCPKHFHSA-N 2 1 439.625 4.428 50 0 IIAAMP CC(C)c1nc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC000012704799 519863953 /nfs/dbraw/zinc/86/39/53/519863953.db2.gz CKVWESMYPLAJIR-QHCPKHFHSA-N 2 1 439.625 4.428 50 0 IIAAMP CCOc1ccc(C[N@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520965995 /nfs/dbraw/zinc/96/59/95/520965995.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 2 1 428.592 4.493 50 0 IIAAMP CCOc1ccc(C[N@@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520966003 /nfs/dbraw/zinc/96/60/03/520966003.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 2 1 428.592 4.493 50 0 IIAAMP CCOc1ccc(C[NH+](CC)C[C@@H]2CCC[N@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520966009 /nfs/dbraw/zinc/96/60/09/520966009.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 2 1 428.592 4.493 50 0 IIAAMP CCOc1ccc(C[NH+](CC)C[C@@H]2CCC[N@@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520966013 /nfs/dbraw/zinc/96/60/13/520966013.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 2 1 428.592 4.493 50 0 IIAAMP CC[N@@H+](Cc1ccncc1)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012304954 521421668 /nfs/dbraw/zinc/42/16/68/521421668.db2.gz HKJKJKATYKJHTO-XMMPIXPASA-N 2 1 441.616 4.117 50 0 IIAAMP CC[NH+](Cc1ccncc1)Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304954 521421675 /nfs/dbraw/zinc/42/16/75/521421675.db2.gz HKJKJKATYKJHTO-XMMPIXPASA-N 2 1 441.616 4.117 50 0 IIAAMP CC[NH+](Cc1ccncc1)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304954 521421684 /nfs/dbraw/zinc/42/16/84/521421684.db2.gz HKJKJKATYKJHTO-XMMPIXPASA-N 2 1 441.616 4.117 50 0 IIAAMP C[N@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263013 /nfs/dbraw/zinc/26/30/13/523263013.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 2 1 441.019 4.256 50 0 IIAAMP C[NH+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263024 /nfs/dbraw/zinc/26/30/24/523263024.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 2 1 441.019 4.256 50 0 IIAAMP C[NH+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263033 /nfs/dbraw/zinc/26/30/33/523263033.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 2 1 441.019 4.256 50 0 IIAAMP CCn1nc(C)c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020779669 523637760 /nfs/dbraw/zinc/63/77/60/523637760.db2.gz QGQPPCCAXYRVRU-XMMPIXPASA-N 2 1 429.697 4.462 50 0 IIAAMP COCC[NH+]1CCC(C[N@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)CC1 ZINC000012587666 523813050 /nfs/dbraw/zinc/81/30/50/523813050.db2.gz SZUZCUYVZGKNTC-UHFFFAOYSA-N 2 1 426.605 4.028 50 0 IIAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)CC1 ZINC000012587666 523813055 /nfs/dbraw/zinc/81/30/55/523813055.db2.gz SZUZCUYVZGKNTC-UHFFFAOYSA-N 2 1 426.605 4.028 50 0 IIAAMP COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012922634 525408888 /nfs/dbraw/zinc/40/88/88/525408888.db2.gz CUDOVPVEVJMCET-AREMUKBSSA-N 2 1 435.612 4.393 50 0 IIAAMP COc1cccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1OC ZINC000012217449 525942526 /nfs/dbraw/zinc/94/25/26/525942526.db2.gz OYZIODDAVVDYRU-IBGZPJMESA-N 2 1 442.629 4.061 50 0 IIAAMP COc1cc(C[N@@H+](C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000011815490 556358467 /nfs/dbraw/zinc/35/84/67/556358467.db2.gz WBJVIXGNFBZJQY-JOCHJYFZSA-N 2 1 430.589 4.233 50 0 IIAAMP COc1cc(C[NH+](C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011815490 556358469 /nfs/dbraw/zinc/35/84/69/556358469.db2.gz WBJVIXGNFBZJQY-JOCHJYFZSA-N 2 1 430.589 4.233 50 0 IIAAMP COc1cc(C[NH+](C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011815490 556358470 /nfs/dbraw/zinc/35/84/70/556358470.db2.gz WBJVIXGNFBZJQY-JOCHJYFZSA-N 2 1 430.589 4.233 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361586 /nfs/dbraw/zinc/36/15/86/556361586.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361588 /nfs/dbraw/zinc/36/15/88/556361588.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361589 /nfs/dbraw/zinc/36/15/89/556361589.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361591 /nfs/dbraw/zinc/36/15/91/556361591.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 2 1 448.611 4.480 50 0 IIAAMP CC(C)c1nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cs1 ZINC000011933211 556376885 /nfs/dbraw/zinc/37/68/85/556376885.db2.gz XKROPQPGNHRUAY-IBGZPJMESA-N 2 1 446.636 4.322 50 0 IIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccccc2OCCO)CC(C)C)CC1 ZINC000015077826 556499999 /nfs/dbraw/zinc/49/99/99/556499999.db2.gz AHVWYVDZWSBHPG-UHFFFAOYSA-N 2 1 440.628 4.437 50 0 IIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccc3nonc32)C[C@H]2CCCO2)CC1 ZINC000055099044 556734245 /nfs/dbraw/zinc/73/42/45/556734245.db2.gz IQHDGLBJNUCWEW-JOCHJYFZSA-N 2 1 438.547 4.255 50 0 IIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccc3nonc32)C[C@@H]2CCCO2)CC1 ZINC000055099043 556734326 /nfs/dbraw/zinc/73/43/26/556734326.db2.gz IQHDGLBJNUCWEW-QFIPXVFZSA-N 2 1 438.547 4.255 50 0 IIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2c(C)cc(C)cc2-n2cccn2)CC1 ZINC000055099653 556734664 /nfs/dbraw/zinc/73/46/64/556734664.db2.gz ZVEWFSJQVYMLDS-UHFFFAOYSA-N 2 1 447.627 4.245 50 0 IIAAMP OCCOc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000022919998 557047000 /nfs/dbraw/zinc/04/70/00/557047000.db2.gz QHCRHTOIZKXHRL-VWLOTQADSA-N 2 1 443.676 4.000 50 0 IIAAMP O[C@@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000012301217 568612941 /nfs/dbraw/zinc/61/29/41/568612941.db2.gz NECGDKSXTQVGPH-AREMUKBSSA-N 2 1 428.576 4.264 50 0 IIAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)CC1 ZINC000012807926 521666879 /nfs/dbraw/zinc/66/68/79/521666879.db2.gz LUULFFFVYOIHIR-WIYYLYMNSA-N 2 1 439.003 4.095 50 0 IIAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436310 523023648 /nfs/dbraw/zinc/02/36/48/523023648.db2.gz RKMXLBZHEFAEJT-AREMUKBSSA-N 2 1 437.628 4.465 50 0 IIAAMP COCC[N@H+](Cc1ccc(OC)c(OC)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012430206 523751197 /nfs/dbraw/zinc/75/11/97/523751197.db2.gz MLZANPTXCPZDDX-UHFFFAOYSA-N 2 1 442.600 4.073 50 0 IIAAMP COc1ccc(CC[N@H+](CC2=Cc3cccc(OC)c3OC2)CC2CC[NH+](C)CC2)cc1 ZINC000012836975 523940039 /nfs/dbraw/zinc/94/00/39/523940039.db2.gz XCPGQNFXXDZLFR-UHFFFAOYSA-N 2 1 436.596 4.366 50 0 IIAAMP COc1ccccc1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012714562 524435898 /nfs/dbraw/zinc/43/58/98/524435898.db2.gz RZTMKHGHLVSSQM-DEOSSOPVSA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccccc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012714562 524435906 /nfs/dbraw/zinc/43/59/06/524435906.db2.gz RZTMKHGHLVSSQM-DEOSSOPVSA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccccc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012714562 524435915 /nfs/dbraw/zinc/43/59/15/524435915.db2.gz RZTMKHGHLVSSQM-DEOSSOPVSA-N 2 1 426.601 4.331 50 0 IIAAMP COc1cc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)ccc1F ZINC000011820558 556362458 /nfs/dbraw/zinc/36/24/58/556362458.db2.gz KVLYHUQULHBVHN-UHFFFAOYSA-N 2 1 440.607 4.038 50 0 IIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)C1CC[NH+](C)CC1 ZINC000011934834 556377828 /nfs/dbraw/zinc/37/78/28/556377828.db2.gz TZPATYRXRMHEIW-IBGZPJMESA-N 2 1 446.035 4.161 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2cnn(-c3ccccc3F)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012073818 556396892 /nfs/dbraw/zinc/39/68/92/556396892.db2.gz REOCMZRPBPDUDV-UHFFFAOYSA-N 2 1 436.575 4.407 50 0 IIAAMP CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000034836458 556583042 /nfs/dbraw/zinc/58/30/42/556583042.db2.gz CXFBHHSKSAXSOM-UHFFFAOYSA-N 2 1 435.591 4.484 50 0 IIAAMP CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000034836458 556583045 /nfs/dbraw/zinc/58/30/45/556583045.db2.gz CXFBHHSKSAXSOM-UHFFFAOYSA-N 2 1 435.591 4.484 50 0 IIAAMP CCOc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000011842628 556660553 /nfs/dbraw/zinc/66/05/53/556660553.db2.gz NCHZAVHPACZMCU-RUZDIDTESA-N 2 1 430.633 4.213 50 0 IIAAMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058332145 556781557 /nfs/dbraw/zinc/78/15/57/556781557.db2.gz MTJJMKWPNLBWAQ-WMPKNSHKSA-N 2 1 434.628 4.110 50 0 IIAAMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058332145 556781559 /nfs/dbraw/zinc/78/15/59/556781559.db2.gz MTJJMKWPNLBWAQ-WMPKNSHKSA-N 2 1 434.628 4.110 50 0 IIAAMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058332145 556781561 /nfs/dbraw/zinc/78/15/61/556781561.db2.gz MTJJMKWPNLBWAQ-WMPKNSHKSA-N 2 1 434.628 4.110 50 0 IIAAMP Cc1ccccc1C[N@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000020209862 556998735 /nfs/dbraw/zinc/99/87/35/556998735.db2.gz BNNPAQPZBNUIOJ-QHCPKHFHSA-N 2 1 427.658 4.111 50 0 IIAAMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000225634083 557754774 /nfs/dbraw/zinc/75/47/74/557754774.db2.gz BOLHZOHEUOVICL-PIZZNKLWSA-N 3 1 447.667 4.424 50 0 IIAAMP O=C(C[NH+]1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000004118291 562942190 /nfs/dbraw/zinc/94/21/90/562942190.db2.gz RTGRJCRSQRIYDI-UHFFFAOYSA-N 2 1 448.611 4.126 50 0 IIAAMP CC(=O)c1cccc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705941 518422092 /nfs/dbraw/zinc/42/20/92/518422092.db2.gz IINOPAQUWWSCNT-MHZLTWQESA-N 2 1 447.623 4.272 50 0 IIAAMP CCCN1CCC([N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385928 519844501 /nfs/dbraw/zinc/84/45/01/519844501.db2.gz RZHBAEFXTJLHNS-RUZDIDTESA-N 2 1 431.640 4.393 50 0 IIAAMP CCC[NH+]1CCC([N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385928 519844503 /nfs/dbraw/zinc/84/45/03/519844503.db2.gz RZHBAEFXTJLHNS-RUZDIDTESA-N 3 1 431.640 4.393 50 0 IIAAMP CCC[NH+]1CCC([N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385928 519844505 /nfs/dbraw/zinc/84/45/05/519844505.db2.gz RZHBAEFXTJLHNS-RUZDIDTESA-N 3 1 431.640 4.393 50 0 IIAAMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000012385327 521797463 /nfs/dbraw/zinc/79/74/63/521797463.db2.gz IBJZLHGBZNUHPN-UHFFFAOYSA-N 3 1 427.608 4.153 50 0 IIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000012712273 523949142 /nfs/dbraw/zinc/94/91/42/523949142.db2.gz HUVIYJSVTZJHKG-UHFFFAOYSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(C[N@@H+](C)C2CCCCC2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012300012 524002533 /nfs/dbraw/zinc/00/25/33/524002533.db2.gz MVCFNDDMAJUCOX-XMMPIXPASA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccc(C[NH+](C)C2CCCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012300012 524002537 /nfs/dbraw/zinc/00/25/37/524002537.db2.gz MVCFNDDMAJUCOX-XMMPIXPASA-N 2 1 426.601 4.331 50 0 IIAAMP COc1ccc(C[NH+](C)C2CCCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012300012 524002541 /nfs/dbraw/zinc/00/25/41/524002541.db2.gz MVCFNDDMAJUCOX-XMMPIXPASA-N 2 1 426.601 4.331 50 0 IIAAMP Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000020452286 524448094 /nfs/dbraw/zinc/44/80/94/524448094.db2.gz WORNQRHTIKXJKP-QHCPKHFHSA-N 2 1 425.642 4.393 50 0 IIAAMP Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000020452286 524448096 /nfs/dbraw/zinc/44/80/96/524448096.db2.gz WORNQRHTIKXJKP-QHCPKHFHSA-N 2 1 425.642 4.393 50 0 IIAAMP COc1cc(C[N@@H+](C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000011815492 556358362 /nfs/dbraw/zinc/35/83/62/556358362.db2.gz WBJVIXGNFBZJQY-QFIPXVFZSA-N 2 1 430.589 4.233 50 0 IIAAMP COc1cc(C[NH+](C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011815492 556358366 /nfs/dbraw/zinc/35/83/66/556358366.db2.gz WBJVIXGNFBZJQY-QFIPXVFZSA-N 2 1 430.589 4.233 50 0 IIAAMP COc1cc(C[NH+](C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011815492 556358369 /nfs/dbraw/zinc/35/83/69/556358369.db2.gz WBJVIXGNFBZJQY-QFIPXVFZSA-N 2 1 430.589 4.233 50 0 IIAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817043 556359531 /nfs/dbraw/zinc/35/95/31/556359531.db2.gz ZKVFCSHKERVGBP-NRFANRHFSA-N 2 1 448.586 4.290 50 0 IIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000011933933 556377362 /nfs/dbraw/zinc/37/73/62/556377362.db2.gz HMMVJUZENFRKSJ-SFHVURJKSA-N 2 1 425.539 4.250 50 0 IIAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953990 556461551 /nfs/dbraw/zinc/46/15/51/556461551.db2.gz PVBPPVHTGZJKDQ-JOCHJYFZSA-N 2 1 437.603 4.160 50 0 IIAAMP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014965417 556465416 /nfs/dbraw/zinc/46/54/16/556465416.db2.gz FFSIZODKUFCCJD-DEOSSOPVSA-N 2 1 444.591 4.171 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]2C)cc1 ZINC000095995581 569378557 /nfs/dbraw/zinc/37/85/57/569378557.db2.gz UDPPIVFUNBNKIB-XHRGMSINSA-N 2 1 431.621 4.313 50 0 IIAAMP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[N@H+]2C)cc1 ZINC000095995581 569378559 /nfs/dbraw/zinc/37/85/59/569378559.db2.gz UDPPIVFUNBNKIB-XHRGMSINSA-N 2 1 431.621 4.313 50 0 IIAAMP Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057318500 569430982 /nfs/dbraw/zinc/43/09/82/569430982.db2.gz WPQNOIUBKBYAKL-UHFFFAOYSA-N 2 1 448.636 4.449 50 0 IIAAMP Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057318500 569430983 /nfs/dbraw/zinc/43/09/83/569430983.db2.gz WPQNOIUBKBYAKL-UHFFFAOYSA-N 2 1 448.636 4.449 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012457881 522465122 /nfs/dbraw/zinc/46/51/22/522465122.db2.gz MHIJBYSHKMWBRL-OAQYLSRUSA-N 2 1 445.604 4.102 50 0 IIAAMP COCC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012750754 523742500 /nfs/dbraw/zinc/74/25/00/523742500.db2.gz IYDNYOXCODPNGG-DEOSSOPVSA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012750754 523742508 /nfs/dbraw/zinc/74/25/08/523742508.db2.gz IYDNYOXCODPNGG-DEOSSOPVSA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012750754 523742512 /nfs/dbraw/zinc/74/25/12/523742512.db2.gz IYDNYOXCODPNGG-DEOSSOPVSA-N 2 1 444.623 4.200 50 0 IIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc(N(C)C)s2)C[C@H]2CCCO2)CC1 ZINC000012466975 525137719 /nfs/dbraw/zinc/13/77/19/525137719.db2.gz ONFAPQSQEYXDCL-HSZRJFAPSA-N 2 1 442.673 4.411 50 0 IIAAMP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012753243 525651116 /nfs/dbraw/zinc/65/11/16/525651116.db2.gz KQTQALWTGYNXFX-OAQYLSRUSA-N 2 1 437.628 4.393 50 0 IIAAMP Cc1ccsc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012707006 525843722 /nfs/dbraw/zinc/84/37/22/525843722.db2.gz VEJYBVZVULSUJB-QHCPKHFHSA-N 2 1 425.642 4.393 50 0 IIAAMP Cc1ccsc1C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012707006 525843729 /nfs/dbraw/zinc/84/37/29/525843729.db2.gz VEJYBVZVULSUJB-QHCPKHFHSA-N 2 1 425.642 4.393 50 0 IIAAMP c1ccc(COC2CC[NH+](Cc3ccc4c(c3)C[N@@H+](C3CCOCC3)CCO4)CC2)cc1 ZINC000012455588 526472509 /nfs/dbraw/zinc/47/25/09/526472509.db2.gz PKXSSBCWISWGID-UHFFFAOYSA-N 2 1 436.596 4.241 50 0 IIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012158945 527692363 /nfs/dbraw/zinc/69/23/63/527692363.db2.gz QMJDQDDZTULUDW-AREMUKBSSA-N 2 1 435.591 4.218 50 0 IIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1)C1CC[NH+](C)CC1 ZINC000011717140 556348471 /nfs/dbraw/zinc/34/84/71/556348471.db2.gz WVIIMWNPIKIHCX-FQEVSTJZSA-N 2 1 440.657 4.355 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361304 /nfs/dbraw/zinc/36/13/04/556361304.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361309 /nfs/dbraw/zinc/36/13/09/556361309.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361315 /nfs/dbraw/zinc/36/13/15/556361315.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361318 /nfs/dbraw/zinc/36/13/18/556361318.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 2 1 448.611 4.480 50 0 IIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH+](C)CC1 ZINC000012000987 556385552 /nfs/dbraw/zinc/38/55/52/556385552.db2.gz XBNUDTPCTRPKBK-GOSISDBHSA-N 2 1 425.539 4.250 50 0 IIAAMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)ccc1OC ZINC000015076832 556499571 /nfs/dbraw/zinc/49/95/71/556499571.db2.gz MJUIGYJCUBENJF-UHFFFAOYSA-N 2 1 426.601 4.489 50 0 IIAAMP CN(C)c1nc(Cl)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000095508971 557157958 /nfs/dbraw/zinc/15/79/58/557157958.db2.gz MMTZJONWYUQFGN-LJQANCHMSA-N 2 1 441.085 4.498 50 0 IIAAMP CN(C)c1nc(Cl)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000095508971 557157962 /nfs/dbraw/zinc/15/79/62/557157962.db2.gz MMTZJONWYUQFGN-LJQANCHMSA-N 2 1 441.085 4.498 50 0 IIAAMP COc1ccc(/C=C/C(=O)NCCC[NH+]2CCC([N@H+](C)C3CCCCCC3)CC2)cc1 ZINC000020241362 569357884 /nfs/dbraw/zinc/35/78/84/569357884.db2.gz VFASEOXCQGOZJD-NTCAYCPXSA-N 2 1 427.633 4.334 50 0 biogenic IIAAMP COc1ccc(/C=C/C(=O)NCCC[NH+]2CCC([N@@H+](C)C3CCCCCC3)CC2)cc1 ZINC000020241362 569357885 /nfs/dbraw/zinc/35/78/85/569357885.db2.gz VFASEOXCQGOZJD-NTCAYCPXSA-N 2 1 427.633 4.334 50 0 biogenic IIAAMP COc1cc(C[N@@H+](C)Cc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012457805 522357128 /nfs/dbraw/zinc/35/71/28/522357128.db2.gz OEBJTPQEBVEBPR-DEOSSOPVSA-N 2 1 426.601 4.333 50 0 IIAAMP COCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000012431369 522969713 /nfs/dbraw/zinc/96/97/13/522969713.db2.gz QDHPGEPGOTVXHU-JOCHJYFZSA-N 2 1 430.564 4.458 50 0 IIAAMP COc1ccc(C[NH2+]CC2CCCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012193240 524069592 /nfs/dbraw/zinc/06/95/92/524069592.db2.gz MWCNFXZUOKUSNG-XMMPIXPASA-N 2 1 426.601 4.237 50 0 IIAAMP COc1ccc(C[NH2+]CC2CCCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012193231 524069949 /nfs/dbraw/zinc/06/99/49/524069949.db2.gz MWCNFXZUOKUSNG-DEOSSOPVSA-N 2 1 426.601 4.237 50 0 IIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)Cc2ccncc2)CC1 ZINC000011663482 556344389 /nfs/dbraw/zinc/34/43/89/556344389.db2.gz KGYDZTCNFIFASS-UHFFFAOYSA-N 2 1 447.627 4.449 50 0 IIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000011933934 556377312 /nfs/dbraw/zinc/37/73/12/556377312.db2.gz HMMVJUZENFRKSJ-GOSISDBHSA-N 2 1 425.539 4.250 50 0 IIAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@H+](C)Cc2nc3ccccc3o2)c1)C1CCCCC1 ZINC000012075751 556397442 /nfs/dbraw/zinc/39/74/42/556397442.db2.gz CZPJYBSAINTFTI-JOCHJYFZSA-N 2 1 437.584 4.464 50 0 IIAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+](C)Cc2nc3ccccc3o2)c1)C1CCCCC1 ZINC000012075751 556397444 /nfs/dbraw/zinc/39/74/44/556397444.db2.gz CZPJYBSAINTFTI-JOCHJYFZSA-N 2 1 437.584 4.464 50 0 IIAAMP C[NH+](Cc1nc2ccccc2o1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012075751 556397447 /nfs/dbraw/zinc/39/74/47/556397447.db2.gz CZPJYBSAINTFTI-JOCHJYFZSA-N 2 1 437.584 4.464 50 0 IIAAMP C[NH+](Cc1nc2ccccc2o1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012075751 556397449 /nfs/dbraw/zinc/39/74/49/556397449.db2.gz CZPJYBSAINTFTI-JOCHJYFZSA-N 2 1 437.584 4.464 50 0 IIAAMP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014967664 556466035 /nfs/dbraw/zinc/46/60/35/556466035.db2.gz FXDKAGVRUBUGGU-RUZDIDTESA-N 2 1 434.580 4.165 50 0 IIAAMP c1ccc2c(c1)CC([NH+]1CCC(C[N@@H+](Cc3cccc4nonc43)C[C@@H]3CCCO3)CC1)C2 ZINC000015062094 556490532 /nfs/dbraw/zinc/49/05/32/556490532.db2.gz UWTGDAOLJXFMFN-VWLOTQADSA-N 2 1 446.595 4.083 50 0 IIAAMP COCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000015078082 556499935 /nfs/dbraw/zinc/49/99/35/556499935.db2.gz NFVYXIWYJMYMCB-RUZDIDTESA-N 2 1 438.612 4.286 50 0 IIAAMP CCOc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000011842627 556660561 /nfs/dbraw/zinc/66/05/61/556660561.db2.gz NCHZAVHPACZMCU-VWLOTQADSA-N 2 1 430.633 4.213 50 0 IIAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913665 /nfs/dbraw/zinc/91/36/65/556913665.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913668 /nfs/dbraw/zinc/91/36/68/556913668.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913672 /nfs/dbraw/zinc/91/36/72/556913672.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913676 /nfs/dbraw/zinc/91/36/76/556913676.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 2 1 436.575 4.387 50 0 IIAAMP COc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(OC)c1 ZINC000014991624 557836874 /nfs/dbraw/zinc/83/68/74/557836874.db2.gz CJOCVDOUGZQDJF-IBGZPJMESA-N 2 1 442.629 4.061 50 0 IIAAMP COc1ccc([C@H]2c3c(n(C)c4c3[C@H](c3ccc(OC)cc3)[N@@H+](C)CC4)CC[NH+]2C)cc1 ZINC000002295267 562926836 /nfs/dbraw/zinc/92/68/36/562926836.db2.gz LCCSPYUGQUDIOH-SVBPBHIXSA-N 2 1 431.580 4.197 50 0 IIAAMP CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)s1 ZINC000012479967 518303936 /nfs/dbraw/zinc/30/39/36/518303936.db2.gz SMWDYOCSEMHILG-IBGZPJMESA-N 2 1 445.604 4.006 50 0 IIAAMP CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)s1 ZINC000012479967 518303942 /nfs/dbraw/zinc/30/39/42/518303942.db2.gz SMWDYOCSEMHILG-IBGZPJMESA-N 2 1 445.604 4.006 50 0 IIAAMP CC(=O)c1cccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000020542353 518421314 /nfs/dbraw/zinc/42/13/14/518421314.db2.gz ZKKVCEALIMPOTL-HSZRJFAPSA-N 2 1 425.592 4.304 50 0 IIAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012430308 520977783 /nfs/dbraw/zinc/97/77/83/520977783.db2.gz NDGHLKIJPFAWJL-UHFFFAOYSA-N 2 1 436.644 4.315 50 0 IIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000012642268 521698482 /nfs/dbraw/zinc/69/84/82/521698482.db2.gz YLFBCUHOPWJTDE-VWLOTQADSA-N 2 1 434.609 4.208 50 0 IIAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597352 521749150 /nfs/dbraw/zinc/74/91/50/521749150.db2.gz LQVSACKBRQBKKS-NRFANRHFSA-N 2 1 448.586 4.290 50 0 IIAAMP COCC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012750760 523741429 /nfs/dbraw/zinc/74/14/29/523741429.db2.gz IYDNYOXCODPNGG-XMMPIXPASA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012750760 523741436 /nfs/dbraw/zinc/74/14/36/523741436.db2.gz IYDNYOXCODPNGG-XMMPIXPASA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012750760 523741444 /nfs/dbraw/zinc/74/14/44/523741444.db2.gz IYDNYOXCODPNGG-XMMPIXPASA-N 2 1 444.623 4.200 50 0 IIAAMP Cc1cc([C@H]2C[C@H](C(=O)NCC[NH+](C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716793 555866464 /nfs/dbraw/zinc/86/64/64/555866464.db2.gz PHVGGZWKGIOIJO-SFTDATJTSA-N 2 1 431.983 4.071 50 0 IIAAMP Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011958636 556381157 /nfs/dbraw/zinc/38/11/57/556381157.db2.gz BOZXVPQREWTDEG-QHCPKHFHSA-N 2 1 432.568 4.257 50 0 IIAAMP Cn1cc(C[N@@H+](C)CCCC[NH+]2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012074757 556397202 /nfs/dbraw/zinc/39/72/02/556397202.db2.gz KZGKJLOKJUTCIY-UHFFFAOYSA-N 2 1 434.584 4.424 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074977 556498851 /nfs/dbraw/zinc/49/88/51/556498851.db2.gz QRGBIAUVAZGENO-OAQYLSRUSA-N 2 1 440.632 4.078 50 0 IIAAMP OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011754017 556651436 /nfs/dbraw/zinc/65/14/36/556651436.db2.gz PYGMBZWJEZXOTA-AREMUKBSSA-N 2 1 428.567 4.289 50 0 IIAAMP OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011754017 556651438 /nfs/dbraw/zinc/65/14/38/556651438.db2.gz PYGMBZWJEZXOTA-AREMUKBSSA-N 2 1 428.567 4.289 50 0 IIAAMP O[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089280 556734070 /nfs/dbraw/zinc/73/40/70/556734070.db2.gz TYRZQXBRUCMRDZ-NRFANRHFSA-N 2 1 442.966 4.268 50 0 IIAAMP COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055089858 556734284 /nfs/dbraw/zinc/73/42/84/556734284.db2.gz LVOKHKZEUIKTKU-OAQYLSRUSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055089858 556734288 /nfs/dbraw/zinc/73/42/88/556734288.db2.gz LVOKHKZEUIKTKU-OAQYLSRUSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055089858 556734291 /nfs/dbraw/zinc/73/42/91/556734291.db2.gz LVOKHKZEUIKTKU-OAQYLSRUSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1cc(OC)cc(OC)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055089858 556734293 /nfs/dbraw/zinc/73/42/93/556734293.db2.gz LVOKHKZEUIKTKU-OAQYLSRUSA-N 2 1 438.612 4.032 50 0 IIAAMP Cc1ccc([C@@H]2C[N@H+](Cc3cccn3C)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097954617 556850489 /nfs/dbraw/zinc/85/04/89/556850489.db2.gz IFCGKIDDASYPJS-LSYYVWMOSA-N 2 1 428.624 4.371 50 0 IIAAMP Cc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097954617 556850490 /nfs/dbraw/zinc/85/04/90/556850490.db2.gz IFCGKIDDASYPJS-LSYYVWMOSA-N 2 1 428.624 4.371 50 0 IIAAMP COCc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015068195 568635275 /nfs/dbraw/zinc/63/52/75/568635275.db2.gz NLVYGMMHCXWEAA-RUZDIDTESA-N 2 1 430.633 4.477 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2ccc(OC(C)C)c(CO)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012314789 523942223 /nfs/dbraw/zinc/94/22/23/523942223.db2.gz GKIADXZHPILRNS-UHFFFAOYSA-N 2 1 440.628 4.361 50 0 IIAAMP COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012716472 524070989 /nfs/dbraw/zinc/07/09/89/524070989.db2.gz TUTHFUYIIKQNDJ-SANMLTNESA-N 2 1 448.607 4.208 50 0 IIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)CC1 ZINC000012763139 526410391 /nfs/dbraw/zinc/41/03/91/526410391.db2.gz PBUJGNZPMWVERQ-QFIPXVFZSA-N 2 1 438.547 4.255 50 0 IIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253975 556154511 /nfs/dbraw/zinc/15/45/11/556154511.db2.gz RZRDXZJQKPOALO-UHFFFAOYSA-N 2 1 425.342 4.265 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccncc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011873659 556369907 /nfs/dbraw/zinc/36/99/07/556369907.db2.gz VDQJDVBCNPTFCJ-XMMPIXPASA-N 2 1 441.616 4.036 50 0 IIAAMP Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011958640 556381386 /nfs/dbraw/zinc/38/13/86/556381386.db2.gz BOZXVPQREWTDEG-HSZRJFAPSA-N 2 1 432.568 4.257 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)c2cccnc12 ZINC000012026922 556387806 /nfs/dbraw/zinc/38/78/06/556387806.db2.gz LETQJIRRNNNTCG-HSZRJFAPSA-N 2 1 449.595 4.101 50 0 IIAAMP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014953517 556461207 /nfs/dbraw/zinc/46/12/07/556461207.db2.gz LBTANUXUORLXAG-QFIPXVFZSA-N 2 1 440.609 4.227 50 0 IIAAMP c1ccc2c(c1)CC([NH+]1CCC(C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]3CCCO3)CC1)C2 ZINC000014957621 556462778 /nfs/dbraw/zinc/46/27/78/556462778.db2.gz KRGMMZFWWJRCFN-VWLOTQADSA-N 2 1 446.595 4.083 50 0 IIAAMP Cc1[nH+]ccn1CCCSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000032933465 556677643 /nfs/dbraw/zinc/67/76/43/556677643.db2.gz OPYVOLOOXVNSDK-UHFFFAOYSA-N 2 1 427.618 4.203 50 0 IIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088460 563142272 /nfs/dbraw/zinc/14/22/72/563142272.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 2 1 432.992 4.449 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088460 563142273 /nfs/dbraw/zinc/14/22/73/563142273.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 2 1 432.992 4.449 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088460 563142274 /nfs/dbraw/zinc/14/22/74/563142274.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 2 1 432.992 4.449 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088460 563142275 /nfs/dbraw/zinc/14/22/75/563142275.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 2 1 432.992 4.449 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012596727 522464402 /nfs/dbraw/zinc/46/44/02/522464402.db2.gz LBFMBKMHPDPJII-OAQYLSRUSA-N 2 1 445.604 4.101 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596727 522464415 /nfs/dbraw/zinc/46/44/15/522464415.db2.gz LBFMBKMHPDPJII-OAQYLSRUSA-N 2 1 445.604 4.101 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012708231 523942448 /nfs/dbraw/zinc/94/24/48/523942448.db2.gz YVLLJIUAUVGOOC-UHFFFAOYSA-N 2 1 436.575 4.407 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ncccc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012320309 524008333 /nfs/dbraw/zinc/00/83/33/524008333.db2.gz XUXZGMLOBODKDA-QHCPKHFHSA-N 2 1 441.616 4.036 50 0 IIAAMP COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012716475 524070981 /nfs/dbraw/zinc/07/09/81/524070981.db2.gz TUTHFUYIIKQNDJ-AREMUKBSSA-N 2 1 448.607 4.208 50 0 IIAAMP O=C(CC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020450824 526569766 /nfs/dbraw/zinc/56/97/66/526569766.db2.gz GYOBSGHUCWVBFJ-HHHXNRCGSA-N 2 1 433.640 4.456 50 0 IIAAMP O=C(CC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020450824 526569771 /nfs/dbraw/zinc/56/97/71/526569771.db2.gz GYOBSGHUCWVBFJ-HHHXNRCGSA-N 2 1 433.640 4.456 50 0 IIAAMP COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011703707 556347194 /nfs/dbraw/zinc/34/71/94/556347194.db2.gz PWRSJBQUKGPAJG-QHCPKHFHSA-N 2 1 430.633 4.321 50 0 IIAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817042 556359667 /nfs/dbraw/zinc/35/96/67/556359667.db2.gz ZKVFCSHKERVGBP-OAQYLSRUSA-N 2 1 448.586 4.290 50 0 IIAAMP COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000011933164 556376844 /nfs/dbraw/zinc/37/68/44/556376844.db2.gz YSHHYWFRBSENMH-NRFANRHFSA-N 2 1 437.628 4.393 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000011958436 556381076 /nfs/dbraw/zinc/38/10/76/556381076.db2.gz RHJVIXBWPAVMSI-HSZRJFAPSA-N 2 1 437.628 4.441 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2CCO)CC1 ZINC000106724604 568837347 /nfs/dbraw/zinc/83/73/47/568837347.db2.gz FDMGCVGMIGYMIB-HSZRJFAPSA-N 2 1 435.612 4.327 50 0 IIAAMP C[N@H+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1)C1CCCCC1 ZINC000007002153 569117463 /nfs/dbraw/zinc/11/74/63/569117463.db2.gz QDAWOTSFUHQOOY-UHFFFAOYSA-N 2 1 430.666 4.453 50 0 IIAAMP C[N@@H+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1)C1CCCCC1 ZINC000007002153 569117465 /nfs/dbraw/zinc/11/74/65/569117465.db2.gz QDAWOTSFUHQOOY-UHFFFAOYSA-N 2 1 430.666 4.453 50 0 IIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000012642274 521698072 /nfs/dbraw/zinc/69/80/72/521698072.db2.gz YLFBCUHOPWJTDE-RUZDIDTESA-N 2 1 434.609 4.208 50 0 IIAAMP COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc(OC)c1OC ZINC000012437413 521900269 /nfs/dbraw/zinc/90/02/69/521900269.db2.gz GWAOYTHVBQTDQB-HXUWFJFHSA-N 2 1 439.560 4.052 50 0 IIAAMP COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc(OC)c1OC ZINC000012437413 521900279 /nfs/dbraw/zinc/90/02/79/521900279.db2.gz GWAOYTHVBQTDQB-HXUWFJFHSA-N 2 1 439.560 4.052 50 0 IIAAMP COc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC000020996807 524012324 /nfs/dbraw/zinc/01/23/24/524012324.db2.gz KGSZXPDVBFXVJJ-HSZRJFAPSA-N 2 1 429.649 4.343 50 0 IIAAMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000011664406 556345146 /nfs/dbraw/zinc/34/51/46/556345146.db2.gz FWPLKJREQZAYRQ-UHFFFAOYSA-N 2 1 434.584 4.438 50 0 IIAAMP COCC[N@H+](Cc1cc(OC)ccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011771081 556350142 /nfs/dbraw/zinc/35/01/42/556350142.db2.gz OBGIEODUEYKAIW-UHFFFAOYSA-N 2 1 430.564 4.204 50 0 IIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000011958442 556381109 /nfs/dbraw/zinc/38/11/09/556381109.db2.gz RHJVIXBWPAVMSI-QHCPKHFHSA-N 2 1 437.628 4.441 50 0 IIAAMP CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011978083 556383413 /nfs/dbraw/zinc/38/34/13/556383413.db2.gz KKUDQGXCWDKION-OAQYLSRUSA-N 2 1 426.630 4.443 50 0 IIAAMP CC(C)n1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000011999111 556385327 /nfs/dbraw/zinc/38/53/27/556385327.db2.gz DIFHPKFXTWJMOS-XMMPIXPASA-N 2 1 428.596 4.496 50 0 IIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168592 556736917 /nfs/dbraw/zinc/73/69/17/556736917.db2.gz ZTOVWRXTPPDPFH-NRFANRHFSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168592 556736921 /nfs/dbraw/zinc/73/69/21/556736921.db2.gz ZTOVWRXTPPDPFH-NRFANRHFSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168592 556736924 /nfs/dbraw/zinc/73/69/24/556736924.db2.gz ZTOVWRXTPPDPFH-NRFANRHFSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168592 556736928 /nfs/dbraw/zinc/73/69/28/556736928.db2.gz ZTOVWRXTPPDPFH-NRFANRHFSA-N 2 1 442.600 4.108 50 0 IIAAMP CCOc1ccc(C[N@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965868 /nfs/dbraw/zinc/96/58/68/520965868.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 2 1 428.592 4.493 50 0 IIAAMP CCOc1ccc(C[N@@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965876 /nfs/dbraw/zinc/96/58/76/520965876.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 2 1 428.592 4.493 50 0 IIAAMP CCOc1ccc(C[NH+](CC)C[C@H]2CCC[N@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965882 /nfs/dbraw/zinc/96/58/82/520965882.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 2 1 428.592 4.493 50 0 IIAAMP CCOc1ccc(C[NH+](CC)C[C@H]2CCC[N@@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965888 /nfs/dbraw/zinc/96/58/88/520965888.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 2 1 428.592 4.493 50 0 IIAAMP COc1cc(OC)c(OC)cc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012201938 522819876 /nfs/dbraw/zinc/81/98/76/522819876.db2.gz LPIRKGZACMTBOC-QHCPKHFHSA-N 2 1 446.632 4.348 50 0 IIAAMP CCn1ncc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000012465692 523691569 /nfs/dbraw/zinc/69/15/69/523691569.db2.gz XZBLLSABPWNJAT-HHHXNRCGSA-N 2 1 436.644 4.072 50 0 IIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cnn(-c4ccccc4OC)c3)CC2)cc1 ZINC000012459265 523949523 /nfs/dbraw/zinc/94/95/23/523949523.db2.gz QAGURRJJXMOBAK-UHFFFAOYSA-N 2 1 448.611 4.276 50 0 IIAAMP COc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC000020996805 524012196 /nfs/dbraw/zinc/01/21/96/524012196.db2.gz KGSZXPDVBFXVJJ-QHCPKHFHSA-N 2 1 429.649 4.343 50 0 IIAAMP Cc1ccc(C(=O)N(Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000012434587 526076618 /nfs/dbraw/zinc/07/66/18/526076618.db2.gz FXBSUGVIQQWRQY-UHFFFAOYSA-N 2 1 434.628 4.147 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2c(OC)cc(OC)cc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000011817381 556359718 /nfs/dbraw/zinc/35/97/18/556359718.db2.gz ZJNJMWNZKOUEQX-UHFFFAOYSA-N 2 1 442.600 4.108 50 0 IIAAMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000011843394 556366758 /nfs/dbraw/zinc/36/67/58/556366758.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 2 1 432.568 4.101 50 0 IIAAMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000011843394 556366760 /nfs/dbraw/zinc/36/67/60/556366760.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 2 1 432.568 4.101 50 0 IIAAMP C[NH+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000011843394 556366762 /nfs/dbraw/zinc/36/67/62/556366762.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 2 1 432.568 4.101 50 0 IIAAMP C[NH+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000011843394 556366763 /nfs/dbraw/zinc/36/67/63/556366763.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 2 1 432.568 4.101 50 0 IIAAMP O=C(CC[C@@H]1CCC[N@@H+](CCCC(F)(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011874440 556370747 /nfs/dbraw/zinc/37/07/47/556370747.db2.gz JTUCQPXOAUHTQE-NRFANRHFSA-N 2 1 425.539 4.166 50 0 IIAAMP O=C(CC[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011874440 556370750 /nfs/dbraw/zinc/37/07/50/556370750.db2.gz JTUCQPXOAUHTQE-NRFANRHFSA-N 2 1 425.539 4.166 50 0 IIAAMP CCOc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011978097 556383555 /nfs/dbraw/zinc/38/35/55/556383555.db2.gz KKUDQGXCWDKION-NRFANRHFSA-N 2 1 426.630 4.443 50 0 IIAAMP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014888592 556455863 /nfs/dbraw/zinc/45/58/63/556455863.db2.gz OVSAVFPCSWXTAE-DHIUTWEWSA-N 2 1 445.529 4.451 50 0 IIAAMP CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCC([NH+]2CCCCC2)CC1)C3 ZINC000023311842 557083314 /nfs/dbraw/zinc/08/33/14/557083314.db2.gz OIAPNEBFXWIHEQ-IBGZPJMESA-N 2 1 428.646 4.066 50 0 IIAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725724 562982999 /nfs/dbraw/zinc/98/29/99/562982999.db2.gz UCIMUKXLDLVTCK-LJQANCHMSA-N 2 1 431.983 4.395 50 0 IIAAMP C[N@@H+](Cc1ccc(OCCNC(=O)[C@@H]2CCCC[NH+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800957 568757955 /nfs/dbraw/zinc/75/79/55/568757955.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 2 1 445.607 4.451 50 0 IIAAMP C[NH+](Cc1ccc(OCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800957 568757957 /nfs/dbraw/zinc/75/79/57/568757957.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 2 1 445.607 4.451 50 0 IIAAMP C[NH+](Cc1ccc(OCCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800957 568757959 /nfs/dbraw/zinc/75/79/59/568757959.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 2 1 445.607 4.451 50 0 IIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]2CCO)CC1 ZINC000020905508 519669898 /nfs/dbraw/zinc/66/98/98/519669898.db2.gz FDMGCVGMIGYMIB-QHCPKHFHSA-N 2 1 435.612 4.327 50 0 IIAAMP CC[N@H+](Cc1cnn(-c2cccc(Cl)c2)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012717758 521436230 /nfs/dbraw/zinc/43/62/30/521436230.db2.gz JNJJFXXIQFDIAN-UHFFFAOYSA-N 2 1 430.040 4.154 50 0 IIAAMP COCc1cc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)ccc1OC ZINC000012315935 522919617 /nfs/dbraw/zinc/91/96/17/522919617.db2.gz QYHOVEFCDLHMAO-UHFFFAOYSA-N 2 1 426.601 4.237 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccsc2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012703875 524006415 /nfs/dbraw/zinc/00/64/15/524006415.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 2 1 440.609 4.260 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccsc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012703875 524006416 /nfs/dbraw/zinc/00/64/16/524006416.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 2 1 440.609 4.260 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccsc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012703875 524006419 /nfs/dbraw/zinc/00/64/19/524006419.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 2 1 440.609 4.260 50 0 IIAAMP Cc1ccsc1C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012707013 525845952 /nfs/dbraw/zinc/84/59/52/525845952.db2.gz VEJYBVZVULSUJB-HSZRJFAPSA-N 2 1 425.642 4.393 50 0 IIAAMP Cc1ccsc1C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012707013 525845960 /nfs/dbraw/zinc/84/59/60/525845960.db2.gz VEJYBVZVULSUJB-HSZRJFAPSA-N 2 1 425.642 4.393 50 0 IIAAMP COCC[N@H+](Cc1ccc(OC)c(OC)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012074319 556396781 /nfs/dbraw/zinc/39/67/81/556396781.db2.gz CTEWTGOKZRNIAP-UHFFFAOYSA-N 2 1 430.564 4.204 50 0 IIAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953994 556461492 /nfs/dbraw/zinc/46/14/92/556461492.db2.gz PVBPPVHTGZJKDQ-QFIPXVFZSA-N 2 1 437.603 4.160 50 0 IIAAMP c1cc2c(c(CN(CC[NH+]3CCCCC3)C[C@@H]3CCC[N@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733271 556876984 /nfs/dbraw/zinc/87/69/84/556876984.db2.gz HZYUKNXZFFEUQD-QFIPXVFZSA-N 2 1 427.633 4.358 50 0 IIAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076662 568636153 /nfs/dbraw/zinc/63/61/53/568636153.db2.gz RNNKBRLICDAYKR-OAQYLSRUSA-N 2 1 448.586 4.290 50 0 IIAAMP CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)s1 ZINC000012479961 518304533 /nfs/dbraw/zinc/30/45/33/518304533.db2.gz SMWDYOCSEMHILG-LJQANCHMSA-N 2 1 445.604 4.006 50 0 IIAAMP CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)s1 ZINC000012479961 518304539 /nfs/dbraw/zinc/30/45/39/518304539.db2.gz SMWDYOCSEMHILG-LJQANCHMSA-N 2 1 445.604 4.006 50 0 IIAAMP CCCN1CCC([N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385927 519844595 /nfs/dbraw/zinc/84/45/95/519844595.db2.gz RZHBAEFXTJLHNS-VWLOTQADSA-N 2 1 431.640 4.393 50 0 IIAAMP CCC[NH+]1CCC([N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385927 519844597 /nfs/dbraw/zinc/84/45/97/519844597.db2.gz RZHBAEFXTJLHNS-VWLOTQADSA-N 3 1 431.640 4.393 50 0 IIAAMP CCC[NH+]1CCC([N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385927 519844598 /nfs/dbraw/zinc/84/45/98/519844598.db2.gz RZHBAEFXTJLHNS-VWLOTQADSA-N 3 1 431.640 4.393 50 0 IIAAMP CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012477996 521296269 /nfs/dbraw/zinc/29/62/69/521296269.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 2 1 428.548 4.340 50 0 IIAAMP CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012477996 521296278 /nfs/dbraw/zinc/29/62/78/521296278.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 2 1 428.548 4.340 50 0 IIAAMP CC[NH+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012477996 521296287 /nfs/dbraw/zinc/29/62/87/521296287.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 2 1 428.548 4.340 50 0 IIAAMP CC[NH+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012477996 521296294 /nfs/dbraw/zinc/29/62/94/521296294.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 2 1 428.548 4.340 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ncccc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012320310 524007880 /nfs/dbraw/zinc/00/78/80/524007880.db2.gz XUXZGMLOBODKDA-HSZRJFAPSA-N 2 1 441.616 4.036 50 0 IIAAMP COc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1OC ZINC000012217448 525939032 /nfs/dbraw/zinc/93/90/32/525939032.db2.gz OYZIODDAVVDYRU-LJQANCHMSA-N 2 1 442.629 4.061 50 0 IIAAMP C[NH+](CCC[N@H+](C)CCCNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000002180665 555753304 /nfs/dbraw/zinc/75/33/04/555753304.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 2 1 432.406 4.023 50 0 IIAAMP C[NH+](CCC[N@@H+](C)CCCNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000002180665 555753307 /nfs/dbraw/zinc/75/33/07/555753307.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 2 1 432.406 4.023 50 0 IIAAMP C[NH+](CCCNC(=O)c1ccccc1Br)CCC[N@H+](C)Cc1ccccc1 ZINC000002180665 555753309 /nfs/dbraw/zinc/75/33/09/555753309.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 2 1 432.406 4.023 50 0 IIAAMP C[NH+](CCCNC(=O)c1ccccc1Br)CCC[N@@H+](C)Cc1ccccc1 ZINC000002180665 555753311 /nfs/dbraw/zinc/75/33/11/555753311.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 2 1 432.406 4.023 50 0 IIAAMP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000011773450 556350548 /nfs/dbraw/zinc/35/05/48/556350548.db2.gz ZIXGOXOYWXKOKO-HSZRJFAPSA-N 2 1 441.591 4.044 50 0 IIAAMP COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000011818092 556360550 /nfs/dbraw/zinc/36/05/50/556360550.db2.gz KTOHRJCMWLSQBX-DEOSSOPVSA-N 2 1 435.612 4.032 50 0 IIAAMP COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000011818092 556360551 /nfs/dbraw/zinc/36/05/51/556360551.db2.gz KTOHRJCMWLSQBX-DEOSSOPVSA-N 2 1 435.612 4.032 50 0 IIAAMP CCOc1cc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)ccc1O ZINC000012571566 556408520 /nfs/dbraw/zinc/40/85/20/556408520.db2.gz BTZNVKVVMKIZTR-UHFFFAOYSA-N 2 1 430.564 4.291 50 0 IIAAMP C[NH+](Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1)Cc1ccc2c(c1)OCO2 ZINC000015521157 556533049 /nfs/dbraw/zinc/53/30/49/556533049.db2.gz BVVRYKBRJQRNNN-UHFFFAOYSA-N 2 1 432.520 4.408 50 0 IIAAMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2SC(F)F)CC1)Cc1ccccc1 ZINC000072308606 556565303 /nfs/dbraw/zinc/56/53/03/556565303.db2.gz UOKMCTWDERVKAX-UHFFFAOYSA-N 2 1 447.595 4.462 50 0 IIAAMP Cc1ccc([C@H]2C[N@H+](Cc3cccn3C)C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000248114222 556665450 /nfs/dbraw/zinc/66/54/50/556665450.db2.gz IFCGKIDDASYPJS-LEAFIULHSA-N 2 1 428.624 4.371 50 0 IIAAMP Cc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000248114222 556665454 /nfs/dbraw/zinc/66/54/54/556665454.db2.gz IFCGKIDDASYPJS-LEAFIULHSA-N 2 1 428.624 4.371 50 0 IIAAMP O=C(C[NH+]1CCCCC1)Nc1ccc(-c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000000825328 556690034 /nfs/dbraw/zinc/69/00/34/556690034.db2.gz KXNSWQLXDOAIEB-UHFFFAOYSA-N 2 1 434.584 4.202 50 0 IIAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913810 /nfs/dbraw/zinc/91/38/10/556913810.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913812 /nfs/dbraw/zinc/91/38/12/556913812.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913814 /nfs/dbraw/zinc/91/38/14/556913814.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913817 /nfs/dbraw/zinc/91/38/17/556913817.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 2 1 436.575 4.387 50 0 IIAAMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000241383219 568912063 /nfs/dbraw/zinc/91/20/63/568912063.db2.gz MTJJMKWPNLBWAQ-CLJLJLNGSA-N 2 1 434.628 4.110 50 0 IIAAMP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)Cc1ccccc1 ZINC000057315373 569431003 /nfs/dbraw/zinc/43/10/03/569431003.db2.gz KMDBIKSKMHXIGI-UHFFFAOYSA-N 2 1 428.580 4.079 50 0 IIAAMP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)Cc1ccccc1 ZINC000057315373 569431004 /nfs/dbraw/zinc/43/10/04/569431004.db2.gz KMDBIKSKMHXIGI-UHFFFAOYSA-N 2 1 428.580 4.079 50 0 IIAAMP CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000012440792 518422561 /nfs/dbraw/zinc/42/25/61/518422561.db2.gz GGGFUHBWIJFDNS-RUZDIDTESA-N 2 1 447.623 4.226 50 0 IIAAMP CC(=O)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000012440792 518422567 /nfs/dbraw/zinc/42/25/67/518422567.db2.gz GGGFUHBWIJFDNS-RUZDIDTESA-N 2 1 447.623 4.226 50 0 IIAAMP Cn1cnnc1Sc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000012590075 523274658 /nfs/dbraw/zinc/27/46/58/523274658.db2.gz JZMGBTZDQGYTKJ-UHFFFAOYSA-N 2 1 443.592 4.085 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2cn(C)nc2-c2ccccc2)CC2CC[NH+](C)CC2)cc1 ZINC000012718312 523942105 /nfs/dbraw/zinc/94/21/05/523942105.db2.gz IQICYDBVAARZEP-UHFFFAOYSA-N 2 1 432.612 4.482 50 0 IIAAMP COc1cccc(OC)c1C[N@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012281440 526221965 /nfs/dbraw/zinc/22/19/65/526221965.db2.gz IDPHSKHLOCLGCE-LJQANCHMSA-N 2 1 442.629 4.061 50 0 IIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000011817030 556359660 /nfs/dbraw/zinc/35/96/60/556359660.db2.gz XZFQHVMZYOGZGY-UHFFFAOYSA-N 2 1 442.600 4.108 50 0 IIAAMP COc1ccc(CC[N@H+](Cc2cc3c(cc2Cl)OCO3)CC2CC[NH+](C)CC2)cc1 ZINC000011954850 556380699 /nfs/dbraw/zinc/38/06/99/556380699.db2.gz PYWSZPAJAXJLQR-UHFFFAOYSA-N 2 1 430.976 4.464 50 0 IIAAMP CCCC[C@H]1C[N@@H+](CCC(=O)NC[C@@H]2CCC[NH+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970868 556382484 /nfs/dbraw/zinc/38/24/84/556382484.db2.gz KYMKQQSRKKHYRX-OEMFJLHTSA-N 2 1 427.633 4.211 50 0 IIAAMP CCCC[C@H]1C[NH+](CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970868 556382488 /nfs/dbraw/zinc/38/24/88/556382488.db2.gz KYMKQQSRKKHYRX-OEMFJLHTSA-N 2 1 427.633 4.211 50 0 IIAAMP CCCC[C@H]1C[NH+](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970868 556382492 /nfs/dbraw/zinc/38/24/92/556382492.db2.gz KYMKQQSRKKHYRX-OEMFJLHTSA-N 2 1 427.633 4.211 50 0 IIAAMP C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028137 556388026 /nfs/dbraw/zinc/38/80/26/556388026.db2.gz UBNUXBIWYOHUHO-RUZDIDTESA-N 2 1 433.596 4.245 50 0 IIAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc3ccccc3o2)C1 ZINC000012056889 556394577 /nfs/dbraw/zinc/39/45/77/556394577.db2.gz UUJOQRQVOHMWTE-OAQYLSRUSA-N 2 1 449.595 4.357 50 0 IIAAMP C[NH+](C[C@H](O)COc1cccc(C[N@H+](C)Cc2nc3ccccc3o2)c1)C1CCCCC1 ZINC000012075748 556397469 /nfs/dbraw/zinc/39/74/69/556397469.db2.gz CZPJYBSAINTFTI-QFIPXVFZSA-N 2 1 437.584 4.464 50 0 IIAAMP C[NH+](C[C@H](O)COc1cccc(C[N@@H+](C)Cc2nc3ccccc3o2)c1)C1CCCCC1 ZINC000012075748 556397474 /nfs/dbraw/zinc/39/74/74/556397474.db2.gz CZPJYBSAINTFTI-QFIPXVFZSA-N 2 1 437.584 4.464 50 0 IIAAMP C[NH+](Cc1nc2ccccc2o1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012075748 556397477 /nfs/dbraw/zinc/39/74/77/556397477.db2.gz CZPJYBSAINTFTI-QFIPXVFZSA-N 2 1 437.584 4.464 50 0 IIAAMP C[NH+](Cc1nc2ccccc2o1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012075748 556397483 /nfs/dbraw/zinc/39/74/83/556397483.db2.gz CZPJYBSAINTFTI-QFIPXVFZSA-N 2 1 437.584 4.464 50 0 IIAAMP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014953521 556461643 /nfs/dbraw/zinc/46/16/43/556461643.db2.gz LBTANUXUORLXAG-JOCHJYFZSA-N 2 1 440.609 4.227 50 0 IIAAMP OCCOc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000022920003 557046856 /nfs/dbraw/zinc/04/68/56/557046856.db2.gz QHCRHTOIZKXHRL-RUZDIDTESA-N 2 1 443.676 4.000 50 0 IIAAMP Cc1cccc(-n2cc(C[NH+]3CCN(C4CC[NH+](C)CC4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000023374279 568613761 /nfs/dbraw/zinc/61/37/61/568613761.db2.gz FNTOPBRRVPWDRF-UHFFFAOYSA-N 2 1 447.602 4.199 50 0 IIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314270 521635199 /nfs/dbraw/zinc/63/51/99/521635199.db2.gz DZOLDJYSJACEEE-OAQYLSRUSA-N 2 1 425.539 4.298 50 0 IIAAMP CCn1ncc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000012465688 523692050 /nfs/dbraw/zinc/69/20/50/523692050.db2.gz XZBLLSABPWNJAT-MHZLTWQESA-N 2 1 436.644 4.072 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012596850 524007068 /nfs/dbraw/zinc/00/70/68/524007068.db2.gz GMOKQICMMRSOGF-QFIPXVFZSA-N 2 1 443.563 4.028 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012596850 524007071 /nfs/dbraw/zinc/00/70/71/524007071.db2.gz GMOKQICMMRSOGF-QFIPXVFZSA-N 2 1 443.563 4.028 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012596850 524007077 /nfs/dbraw/zinc/00/70/77/524007077.db2.gz GMOKQICMMRSOGF-QFIPXVFZSA-N 2 1 443.563 4.028 50 0 IIAAMP COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012051539 556392635 /nfs/dbraw/zinc/39/26/35/556392635.db2.gz SUDQJEZTBWPIQL-RUZDIDTESA-N 2 1 446.591 4.346 50 0 IIAAMP C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)cc2)CC1 ZINC000067612684 556844356 /nfs/dbraw/zinc/84/43/56/556844356.db2.gz LDAPWFQOZNLSAB-UHFFFAOYSA-N 2 1 444.982 4.082 50 0 IIAAMP CN(C)c1nc(Cl)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000095508970 557157986 /nfs/dbraw/zinc/15/79/86/557157986.db2.gz MMTZJONWYUQFGN-IBGZPJMESA-N 2 1 441.085 4.498 50 0 IIAAMP CN(C)c1nc(Cl)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000095508970 557157991 /nfs/dbraw/zinc/15/79/91/557157991.db2.gz MMTZJONWYUQFGN-IBGZPJMESA-N 2 1 441.085 4.498 50 0 IIAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000012709362 519436711 /nfs/dbraw/zinc/43/67/11/519436711.db2.gz OASDVEJSQHPPBF-RUZDIDTESA-N 2 1 437.628 4.471 50 0 IIAAMP CC[N@@H+](Cc1ccncc1)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012304952 521422398 /nfs/dbraw/zinc/42/23/98/521422398.db2.gz HKJKJKATYKJHTO-DEOSSOPVSA-N 2 1 441.616 4.117 50 0 IIAAMP CC[NH+](Cc1ccncc1)Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304952 521422405 /nfs/dbraw/zinc/42/24/05/521422405.db2.gz HKJKJKATYKJHTO-DEOSSOPVSA-N 2 1 441.616 4.117 50 0 IIAAMP CC[NH+](Cc1ccncc1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304952 521422413 /nfs/dbraw/zinc/42/24/13/521422413.db2.gz HKJKJKATYKJHTO-DEOSSOPVSA-N 2 1 441.616 4.117 50 0 IIAAMP COc1ccc(-n2ccnc2C[N@@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)cc1 ZINC000012304861 523338370 /nfs/dbraw/zinc/33/83/70/523338370.db2.gz LSYFYUOKDISUOE-UHFFFAOYSA-N 2 1 448.611 4.276 50 0 IIAAMP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccc5c(c4)Cc4ccccc4-5)[N@H+]4CCC[C@@]34C2=O)CC1 ZINC000012594693 523772172 /nfs/dbraw/zinc/77/21/72/523772172.db2.gz YRTREYNACSAJME-MCOVPRHSSA-N 2 1 427.592 4.090 50 0 IIAAMP COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012922631 525243638 /nfs/dbraw/zinc/24/36/38/525243638.db2.gz CUDOVPVEVJMCET-SANMLTNESA-N 2 1 435.612 4.393 50 0 IIAAMP Cc1ccc2ccc3cc(C(=O)NCCC[NH+]4CCC([NH+]5CCCCC5)CC4)[nH]c3c2n1 ZINC000035373884 526233781 /nfs/dbraw/zinc/23/37/81/526233781.db2.gz ICWHEMGDVZMIRC-UHFFFAOYSA-N 2 1 433.600 4.095 50 0 IIAAMP COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818838 556360457 /nfs/dbraw/zinc/36/04/57/556360457.db2.gz FRMNMIDBGBERQY-QFIPXVFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818838 556360460 /nfs/dbraw/zinc/36/04/60/556360460.db2.gz FRMNMIDBGBERQY-QFIPXVFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818838 556360462 /nfs/dbraw/zinc/36/04/62/556360462.db2.gz FRMNMIDBGBERQY-QFIPXVFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COCC[NH+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818838 556360464 /nfs/dbraw/zinc/36/04/64/556360464.db2.gz FRMNMIDBGBERQY-QFIPXVFZSA-N 2 1 438.612 4.032 50 0 IIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3ccc(OC)cc3)CC2)cc1 ZINC000011820385 556362295 /nfs/dbraw/zinc/36/22/95/556362295.db2.gz SDTSBRFKPRHTIF-UHFFFAOYSA-N 2 1 448.611 4.480 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccncc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011873660 556369946 /nfs/dbraw/zinc/36/99/46/556369946.db2.gz VDQJDVBCNPTFCJ-DEOSSOPVSA-N 2 1 441.616 4.036 50 0 IIAAMP COCC[N@@H+](Cc1c(F)ccc(F)c1F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011878516 556371013 /nfs/dbraw/zinc/37/10/13/556371013.db2.gz OBLPIXXRXGAVIX-UHFFFAOYSA-N 2 1 436.518 4.473 50 0 IIAAMP COCC[N@H+](Cc1c(F)ccc(F)c1F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011878516 556371014 /nfs/dbraw/zinc/37/10/14/556371014.db2.gz OBLPIXXRXGAVIX-UHFFFAOYSA-N 2 1 436.518 4.473 50 0 IIAAMP COc1ccc([C@@H]2c3c(n(C)c4c3[C@@H](c3ccc(OC)cc3)[N@@H+](C)CC4)CC[NH+]2C)cc1 ZINC000012436723 556404532 /nfs/dbraw/zinc/40/45/32/556404532.db2.gz LCCSPYUGQUDIOH-KAYWLYCHSA-N 2 1 431.580 4.197 50 0 IIAAMP COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000014975419 556468403 /nfs/dbraw/zinc/46/84/03/556468403.db2.gz KOCUTNXTNZUUFN-RUZDIDTESA-N 2 1 434.580 4.199 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccccc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014975419 556468407 /nfs/dbraw/zinc/46/84/07/556468407.db2.gz KOCUTNXTNZUUFN-RUZDIDTESA-N 2 1 434.580 4.199 50 0 IIAAMP COc1ccc(C[NH+](C)Cc2ccccc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014975419 556468408 /nfs/dbraw/zinc/46/84/08/556468408.db2.gz KOCUTNXTNZUUFN-RUZDIDTESA-N 2 1 434.580 4.199 50 0 IIAAMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058332148 556781603 /nfs/dbraw/zinc/78/16/03/556781603.db2.gz MTJJMKWPNLBWAQ-UIOOFZCWSA-N 2 1 434.628 4.110 50 0 IIAAMP C[N@@H+](Cc1ccc(OCCNC(=O)[C@H]2CCCC[NH+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800953 568758002 /nfs/dbraw/zinc/75/80/02/568758002.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 2 1 445.607 4.451 50 0 IIAAMP C[NH+](Cc1ccc(OCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800953 568758003 /nfs/dbraw/zinc/75/80/03/568758003.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 2 1 445.607 4.451 50 0 IIAAMP C[NH+](Cc1ccc(OCCNC(=O)[C@H]2CCCC[N@H+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800953 568758004 /nfs/dbraw/zinc/75/80/04/568758004.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 2 1 445.607 4.451 50 0 IIAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000012709368 519436922 /nfs/dbraw/zinc/43/69/22/519436922.db2.gz OASDVEJSQHPPBF-VWLOTQADSA-N 2 1 437.628 4.471 50 0 IIAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2c(C)nc3sccn23)C[C@@]1(C)CO ZINC000020996783 521730283 /nfs/dbraw/zinc/73/02/83/521730283.db2.gz ZBDQJTUPFMVPFR-AGHHOFFYSA-N 2 1 433.021 4.281 50 0 IIAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2c(C)nc3sccn23)C[C@@]1(C)CO ZINC000020996783 521730284 /nfs/dbraw/zinc/73/02/84/521730284.db2.gz ZBDQJTUPFMVPFR-AGHHOFFYSA-N 2 1 433.021 4.281 50 0 IIAAMP COCC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012758550 523752442 /nfs/dbraw/zinc/75/24/42/523752442.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012758550 523752452 /nfs/dbraw/zinc/75/24/52/523752452.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 2 1 444.623 4.200 50 0 IIAAMP COCC[NH+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012758550 523752458 /nfs/dbraw/zinc/75/24/58/523752458.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 2 1 444.623 4.200 50 0 IIAAMP O=C(CC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020450821 526554155 /nfs/dbraw/zinc/55/41/55/526554155.db2.gz GYOBSGHUCWVBFJ-MHZLTWQESA-N 2 1 433.640 4.456 50 0 IIAAMP O=C(CC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020450821 526554162 /nfs/dbraw/zinc/55/41/62/526554162.db2.gz GYOBSGHUCWVBFJ-MHZLTWQESA-N 2 1 433.640 4.456 50 0 IIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH+](C)CC1 ZINC000012000982 556385588 /nfs/dbraw/zinc/38/55/88/556385588.db2.gz XBNUDTPCTRPKBK-SFHVURJKSA-N 2 1 425.539 4.250 50 0 IIAAMP COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012076252 556397964 /nfs/dbraw/zinc/39/79/64/556397964.db2.gz LELUKGPZQXVLFJ-QHCPKHFHSA-N 2 1 444.591 4.437 50 0 IIAAMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccccc2)CCO3)C1 ZINC000014958908 556463501 /nfs/dbraw/zinc/46/35/01/556463501.db2.gz RBICZGAHVDWGTG-XMMPIXPASA-N 2 1 435.612 4.162 50 0 IIAAMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccccc2)CCO3)C1 ZINC000014958908 556463504 /nfs/dbraw/zinc/46/35/04/556463504.db2.gz RBICZGAHVDWGTG-XMMPIXPASA-N 2 1 435.612 4.162 50 0 IIAAMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccccc2)CCO3)C1 ZINC000014958908 556463505 /nfs/dbraw/zinc/46/35/05/556463505.db2.gz RBICZGAHVDWGTG-XMMPIXPASA-N 2 1 435.612 4.162 50 0 IIAAMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccccc2)CCO3)C1 ZINC000014958908 556463508 /nfs/dbraw/zinc/46/35/08/556463508.db2.gz RBICZGAHVDWGTG-XMMPIXPASA-N 2 1 435.612 4.162 50 0 IIAAMP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014967660 556466075 /nfs/dbraw/zinc/46/60/75/556466075.db2.gz FXDKAGVRUBUGGU-VWLOTQADSA-N 2 1 434.580 4.165 50 0 IIAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076665 568636310 /nfs/dbraw/zinc/63/63/10/568636310.db2.gz RNNKBRLICDAYKR-NRFANRHFSA-N 2 1 448.586 4.290 50 0 IIAAMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000252522977 569189595 /nfs/dbraw/zinc/18/95/95/569189595.db2.gz BOLHZOHEUOVICL-WIIGKZCBSA-N 3 1 447.667 4.424 50 0 IIAAMP CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012477990 521296891 /nfs/dbraw/zinc/29/68/91/521296891.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 2 1 428.548 4.340 50 0 IIAAMP CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012477990 521296898 /nfs/dbraw/zinc/29/68/98/521296898.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 2 1 428.548 4.340 50 0 IIAAMP CC[NH+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012477990 521296901 /nfs/dbraw/zinc/29/69/01/521296901.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 2 1 428.548 4.340 50 0 IIAAMP CC[NH+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012477990 521296908 /nfs/dbraw/zinc/29/69/08/521296908.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 2 1 428.548 4.340 50 0 IIAAMP COc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012303967 522466857 /nfs/dbraw/zinc/46/68/57/522466857.db2.gz UNJWGLBDTJNPGM-NRFANRHFSA-N 2 1 448.554 4.267 50 0 IIAAMP COc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012303967 522466863 /nfs/dbraw/zinc/46/68/63/522466863.db2.gz UNJWGLBDTJNPGM-NRFANRHFSA-N 2 1 448.554 4.267 50 0 IIAAMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012594674 523116255 /nfs/dbraw/zinc/11/62/55/523116255.db2.gz YOVWNJUSEWGOPL-DEOSSOPVSA-N 2 1 449.639 4.186 50 0 IIAAMP COCC[N@H+](Cc1c[nH]nc1-c1ccccc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012304899 523740368 /nfs/dbraw/zinc/74/03/68/523740368.db2.gz WIBUSJVUNAXXDQ-UHFFFAOYSA-N 2 1 448.611 4.446 50 0 IIAAMP COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012281441 526222563 /nfs/dbraw/zinc/22/25/63/526222563.db2.gz IDPHSKHLOCLGCE-IBGZPJMESA-N 2 1 442.629 4.061 50 0 IIAAMP Cc1cc([C@@H]2C[C@H](C(=O)NCC[NH+](C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716792 555866000 /nfs/dbraw/zinc/86/60/00/555866000.db2.gz PHVGGZWKGIOIJO-RTWAWAEBSA-N 2 1 431.983 4.071 50 0 IIAAMP COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011703694 556347343 /nfs/dbraw/zinc/34/73/43/556347343.db2.gz PWRSJBQUKGPAJG-HSZRJFAPSA-N 2 1 430.633 4.321 50 0 IIAAMP COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011841520 556365527 /nfs/dbraw/zinc/36/55/27/556365527.db2.gz OUDWWNXBZOYCJF-XMMPIXPASA-N 2 1 444.591 4.437 50 0 IIAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879502 556371690 /nfs/dbraw/zinc/37/16/90/556371690.db2.gz BWMJXJRGKIIERS-HSZRJFAPSA-N 2 1 425.592 4.061 50 0 IIAAMP COc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000014962614 556464532 /nfs/dbraw/zinc/46/45/32/556464532.db2.gz PDXRPHNYSGPRGI-HSZRJFAPSA-N 2 1 446.632 4.348 50 0 IIAAMP c1ccc2c(c1)CC([NH+]1CCC(C[N@@H+](Cc3cccc4nonc43)C[C@H]3CCCO3)CC1)C2 ZINC000015062093 556490732 /nfs/dbraw/zinc/49/07/32/556490732.db2.gz UWTGDAOLJXFMFN-RUZDIDTESA-N 2 1 446.595 4.083 50 0 IIAAMP O[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089283 556733925 /nfs/dbraw/zinc/73/39/25/556733925.db2.gz TYRZQXBRUCMRDZ-OAQYLSRUSA-N 2 1 442.966 4.268 50 0 IIAAMP