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/nfs/dbraw/zinc/14/21/09/1069142109.db2.gz DHJAMPNJLRQXEH-XMTFNYHQSA-N 2 1 467.592 -0.251 20 0 JBADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(S(=O)(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)c[nH]1 ZINC000726186533 1069142107 /nfs/dbraw/zinc/14/21/07/1069142107.db2.gz DHJAMPNJLRQXEH-XMTFNYHQSA-N 2 1 467.592 -0.251 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[N@@H+](C)C(C)C)C(N)=O ZINC001142590544 1067974066 /nfs/dbraw/zinc/97/40/66/1067974066.db2.gz DYSGRPQRDICDAN-LNLFQRSKSA-N 2 1 454.616 -0.443 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC2CC[NH+]1CC2)C(N)=O ZINC001142637678 1069234872 /nfs/dbraw/zinc/23/48/72/1069234872.db2.gz OCEQUHCDVZIJDL-HAGHYFMRSA-N 2 1 478.638 -0.298 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC2CC[NH+]1CC2)C(N)=O ZINC001142637679 1069235048 /nfs/dbraw/zinc/23/50/48/1069235048.db2.gz OCEQUHCDVZIJDL-MUGJNUQGSA-N 2 1 478.638 -0.298 20 0 JBADMP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cn21 ZINC001150388843 1069253599 /nfs/dbraw/zinc/25/35/99/1069253599.db2.gz AEVFJGDHFVRDFD-NRFANRHFSA-N 2 1 479.589 -0.047 20 0 JBADMP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cn21 ZINC001150388843 1069253586 /nfs/dbraw/zinc/25/35/86/1069253586.db2.gz AEVFJGDHFVRDFD-NRFANRHFSA-N 2 1 479.589 -0.047 20 0 JBADMP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cn21 ZINC001150388844 1069253753 /nfs/dbraw/zinc/25/37/53/1069253753.db2.gz AEVFJGDHFVRDFD-OAQYLSRUSA-N 2 1 479.589 -0.047 20 0 JBADMP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cn21 ZINC001150388844 1069253740 /nfs/dbraw/zinc/25/37/40/1069253740.db2.gz AEVFJGDHFVRDFD-OAQYLSRUSA-N 2 1 479.589 -0.047 20 0 JBADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001157323748 1069293331 /nfs/dbraw/zinc/29/33/31/1069293331.db2.gz YFIFPZMCPAJWAN-MSOLQXFVSA-N 2 1 450.565 -0.342 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1)C(N)=O ZINC001157325143 1069293910 /nfs/dbraw/zinc/29/39/10/1069293910.db2.gz PYSNAMDCDWAVGB-AABGKKOBSA-N 2 1 475.590 -0.502 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1)C(N)=O ZINC001157325145 1069293715 /nfs/dbraw/zinc/29/37/15/1069293715.db2.gz PYSNAMDCDWAVGB-AQNXPRMDSA-N 2 1 475.590 -0.502 20 0 JBADMP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccc12 ZINC001157364926 1069294546 /nfs/dbraw/zinc/29/45/46/1069294546.db2.gz NRTVNYVBDCPTIR-KRWDZBQOSA-N 2 1 458.519 -0.977 20 0 JBADMP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccc12 ZINC001157364927 1069294333 /nfs/dbraw/zinc/29/43/33/1069294333.db2.gz NRTVNYVBDCPTIR-QGZVFWFLSA-N 2 1 458.519 -0.977 20 0 JBADMP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)ccc12 ZINC001157365414 1069295261 /nfs/dbraw/zinc/29/52/61/1069295261.db2.gz 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/nfs/dbraw/zinc/31/09/36/1069310936.db2.gz GDKCODDDQZVFKZ-FQEVSTJZSA-N 2 1 475.594 -0.398 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)OC2(CC[NH2+]CC2)C1 ZINC001158629374 1069311212 /nfs/dbraw/zinc/31/12/12/1069311212.db2.gz GDKCODDDQZVFKZ-HXUWFJFHSA-N 2 1 475.594 -0.398 20 0 JBADMP CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158735130 1069316239 /nfs/dbraw/zinc/31/62/39/1069316239.db2.gz ONOSMVTXLPYSOI-HOCLYGCPSA-N 2 1 456.569 -0.944 20 0 JBADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001158856318 1069318497 /nfs/dbraw/zinc/31/84/97/1069318497.db2.gz MEDMXLHCKZDLFU-RXVVDRJESA-N 2 1 458.563 -0.113 20 0 JBADMP CC(C)N(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883539 1069319288 /nfs/dbraw/zinc/31/92/88/1069319288.db2.gz IKRHBLLCZNQDJF-IBGZPJMESA-N 2 1 460.627 -0.507 20 0 JBADMP CC(C)N(C(=O)[C@H](N)CN1CCC([NH3+])CC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883545 1069319452 /nfs/dbraw/zinc/31/94/52/1069319452.db2.gz IKRHBLLCZNQDJF-LJQANCHMSA-N 2 1 460.627 -0.507 20 0 JBADMP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885239 1069319719 /nfs/dbraw/zinc/31/97/19/1069319719.db2.gz TWDSRPUKAGLNSL-HKUYNNGSSA-N 2 1 460.579 -0.014 20 0 JBADMP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885240 1069320023 /nfs/dbraw/zinc/32/00/23/1069320023.db2.gz TWDSRPUKAGLNSL-IEBWSBKVSA-N 2 1 460.579 -0.014 20 0 JBADMP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885241 1069320206 /nfs/dbraw/zinc/32/02/06/1069320206.db2.gz TWDSRPUKAGLNSL-MJGOQNOKSA-N 2 1 460.579 -0.014 20 0 JBADMP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001158885242 1069320090 /nfs/dbraw/zinc/32/00/90/1069320090.db2.gz TWDSRPUKAGLNSL-PKOBYXMFSA-N 2 1 460.579 -0.014 20 0 JBADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001158890645 1069319979 /nfs/dbraw/zinc/31/99/79/1069319979.db2.gz JNNOTCPYBPMRRU-OALUTQOASA-N 2 1 478.638 -0.412 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159037783 1069325551 /nfs/dbraw/zinc/32/55/51/1069325551.db2.gz PEQJZOKNUKYEDA-HKUYNNGSSA-N 2 1 461.563 -0.073 20 0 JBADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076171 1069326871 /nfs/dbraw/zinc/32/68/71/1069326871.db2.gz SLBSABQQCSERDW-IBGZPJMESA-N 3 1 459.595 -0.855 20 0 JBADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076171 1069326866 /nfs/dbraw/zinc/32/68/66/1069326866.db2.gz SLBSABQQCSERDW-IBGZPJMESA-N 3 1 459.595 -0.855 20 0 JBADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076172 1069326644 /nfs/dbraw/zinc/32/66/44/1069326644.db2.gz SLBSABQQCSERDW-LJQANCHMSA-N 3 1 459.595 -0.855 20 0 JBADMP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076172 1069326631 /nfs/dbraw/zinc/32/66/31/1069326631.db2.gz SLBSABQQCSERDW-LJQANCHMSA-N 3 1 459.595 -0.855 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159090989 1069328481 /nfs/dbraw/zinc/32/84/81/1069328481.db2.gz JQINTLUXFMISKH-QEUVDIPISA-N 2 1 450.580 -0.163 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159090990 1069328555 /nfs/dbraw/zinc/32/85/55/1069328555.db2.gz JQINTLUXFMISKH-YOUFYPILSA-N 2 1 450.580 -0.163 20 0 JBADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159116552 1069329528 /nfs/dbraw/zinc/32/95/28/1069329528.db2.gz PBTFBEISKKGJET-UHOSZYNNSA-N 2 1 460.579 -0.382 20 0 JBADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159116554 1069329028 /nfs/dbraw/zinc/32/90/28/1069329028.db2.gz PBTFBEISKKGJET-WDSOQIARSA-N 2 1 460.579 -0.382 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124185 1069329115 /nfs/dbraw/zinc/32/91/15/1069329115.db2.gz LTDZQNKRTALLKQ-FXAWDEMLSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124185 1069329101 /nfs/dbraw/zinc/32/91/01/1069329101.db2.gz LTDZQNKRTALLKQ-FXAWDEMLSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124186 1069329310 /nfs/dbraw/zinc/32/93/10/1069329310.db2.gz LTDZQNKRTALLKQ-PXNSSMCTSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124186 1069329293 /nfs/dbraw/zinc/32/92/93/1069329293.db2.gz LTDZQNKRTALLKQ-PXNSSMCTSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124187 1069329774 /nfs/dbraw/zinc/32/97/74/1069329774.db2.gz LTDZQNKRTALLKQ-XLIONFOSSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124187 1069329759 /nfs/dbraw/zinc/32/97/59/1069329759.db2.gz LTDZQNKRTALLKQ-XLIONFOSSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124188 1069330296 /nfs/dbraw/zinc/33/02/96/1069330296.db2.gz LTDZQNKRTALLKQ-YLJYHZDGSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1 ZINC001159124188 1069330282 /nfs/dbraw/zinc/33/02/82/1069330282.db2.gz LTDZQNKRTALLKQ-YLJYHZDGSA-N 2 1 456.609 -0.912 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)C2)C1 ZINC001159124818 1069330366 /nfs/dbraw/zinc/33/03/66/1069330366.db2.gz QLUIKXMRELAROC-DQMJNTIXSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)C2)C1 ZINC001159124818 1069330356 /nfs/dbraw/zinc/33/03/56/1069330356.db2.gz QLUIKXMRELAROC-DQMJNTIXSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)C2)C1 ZINC001159124820 1069330335 /nfs/dbraw/zinc/33/03/35/1069330335.db2.gz QLUIKXMRELAROC-GLYQVZKVSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)C2)C1 ZINC001159124820 1069330321 /nfs/dbraw/zinc/33/03/21/1069330321.db2.gz QLUIKXMRELAROC-GLYQVZKVSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)C2)C1 ZINC001159124822 1069330409 /nfs/dbraw/zinc/33/04/09/1069330409.db2.gz QLUIKXMRELAROC-NTUVXCKYSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)C2)C1 ZINC001159124822 1069330396 /nfs/dbraw/zinc/33/03/96/1069330396.db2.gz QLUIKXMRELAROC-NTUVXCKYSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)C2)C1 ZINC001159124824 1069330002 /nfs/dbraw/zinc/33/00/02/1069330002.db2.gz QLUIKXMRELAROC-QFWMQHCXSA-N 2 1 455.559 -0.217 20 0 JBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)C2)C1 ZINC001159124824 1069329985 /nfs/dbraw/zinc/32/99/85/1069329985.db2.gz QLUIKXMRELAROC-QFWMQHCXSA-N 2 1 455.559 -0.217 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125364 1069330710 /nfs/dbraw/zinc/33/07/10/1069330710.db2.gz VNGLYNRCAXCFPD-PMACEKPBSA-N 2 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125364 1069330693 /nfs/dbraw/zinc/33/06/93/1069330693.db2.gz VNGLYNRCAXCFPD-PMACEKPBSA-N 3 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125365 1069330153 /nfs/dbraw/zinc/33/01/53/1069330153.db2.gz VNGLYNRCAXCFPD-UXHICEINSA-N 2 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125365 1069330140 /nfs/dbraw/zinc/33/01/40/1069330140.db2.gz VNGLYNRCAXCFPD-UXHICEINSA-N 3 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125366 1069330055 /nfs/dbraw/zinc/33/00/55/1069330055.db2.gz VNGLYNRCAXCFPD-VQTJNVASSA-N 2 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125366 1069330039 /nfs/dbraw/zinc/33/00/39/1069330039.db2.gz VNGLYNRCAXCFPD-VQTJNVASSA-N 3 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125367 1069330554 /nfs/dbraw/zinc/33/05/54/1069330554.db2.gz VNGLYNRCAXCFPD-WOJBJXKFSA-N 2 1 461.611 -0.194 20 0 JBADMP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125367 1069330538 /nfs/dbraw/zinc/33/05/38/1069330538.db2.gz VNGLYNRCAXCFPD-WOJBJXKFSA-N 3 1 461.611 -0.194 20 0 JBADMP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159157904 1069332530 /nfs/dbraw/zinc/33/25/30/1069332530.db2.gz KDZSTWKMSRJJGL-FYQPLNBISA-N 2 1 466.594 -0.083 20 0 JBADMP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159157916 1069332119 /nfs/dbraw/zinc/33/21/19/1069332119.db2.gz KDZSTWKMSRJJGL-WCIQWLHISA-N 2 1 466.594 -0.083 20 0 JBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)C(N)=O ZINC001159165888 1069332417 /nfs/dbraw/zinc/33/24/17/1069332417.db2.gz FFMYPHDYIAGJFL-YYTXDEJISA-N 2 1 460.583 -0.923 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159167164 1069331959 /nfs/dbraw/zinc/33/19/59/1069331959.db2.gz VQACZUKFFHTXBE-WTNASJBWSA-N 2 1 486.621 -0.566 20 0 JBADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159180543 1069333034 /nfs/dbraw/zinc/33/30/34/1069333034.db2.gz DWLCXDYVDJIHDT-COFNMNJVSA-N 2 1 459.591 -0.017 20 0 JBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001159181182 1069333380 /nfs/dbraw/zinc/33/33/80/1069333380.db2.gz JQNJFPFGWPCXMD-DFSVQXFESA-N 2 1 486.617 -0.134 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)C(=O)CF ZINC001159291376 1069340050 /nfs/dbraw/zinc/34/00/50/1069340050.db2.gz OCIBUSOBNWJCNG-KNBMTAEXSA-N 2 1 467.586 -0.168 20 0 JBADMP CO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317095 1069340903 /nfs/dbraw/zinc/34/09/03/1069340903.db2.gz QBYGDVOVHUXFBM-ZROJVYTPSA-N 2 1 497.596 -0.118 20 0 JBADMP CO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317511 1069340804 /nfs/dbraw/zinc/34/08/04/1069340804.db2.gz WIUQOEAWKGKBAL-OFOKGCAXSA-N 2 1 472.590 -0.416 20 0 JBADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159348792 1069340678 /nfs/dbraw/zinc/34/06/78/1069340678.db2.gz DAPUVSCZQUBTCF-FQEVSTJZSA-N 2 1 457.597 -0.047 20 0 JBADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159348792 1069340664 /nfs/dbraw/zinc/34/06/64/1069340664.db2.gz DAPUVSCZQUBTCF-FQEVSTJZSA-N 2 1 457.597 -0.047 20 0 JBADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159348793 1069340995 /nfs/dbraw/zinc/34/09/95/1069340995.db2.gz DAPUVSCZQUBTCF-HXUWFJFHSA-N 2 1 457.597 -0.047 20 0 JBADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159348793 1069340982 /nfs/dbraw/zinc/34/09/82/1069340982.db2.gz DAPUVSCZQUBTCF-HXUWFJFHSA-N 2 1 457.597 -0.047 20 0 JBADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159348826 1069340514 /nfs/dbraw/zinc/34/05/14/1069340514.db2.gz DLBWSGLKTUYXRD-FCORRRHLSA-N 2 1 478.594 -0.170 20 0 JBADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159348826 1069340502 /nfs/dbraw/zinc/34/05/02/1069340502.db2.gz DLBWSGLKTUYXRD-FCORRRHLSA-N 2 1 478.594 -0.170 20 0 JBADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159348827 1069341443 /nfs/dbraw/zinc/34/14/43/1069341443.db2.gz DLBWSGLKTUYXRD-YWBKXGLFSA-N 2 1 478.594 -0.170 20 0 JBADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159348827 1069341424 /nfs/dbraw/zinc/34/14/24/1069341424.db2.gz DLBWSGLKTUYXRD-YWBKXGLFSA-N 2 1 478.594 -0.170 20 0 JBADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159353144 1069341688 /nfs/dbraw/zinc/34/16/88/1069341688.db2.gz QFBORUKTZWZMDT-SDYXESRWSA-N 2 1 464.567 -0.560 20 0 JBADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159353144 1069341676 /nfs/dbraw/zinc/34/16/76/1069341676.db2.gz QFBORUKTZWZMDT-SDYXESRWSA-N 2 1 464.567 -0.560 20 0 JBADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159353150 1069341763 /nfs/dbraw/zinc/34/17/63/1069341763.db2.gz QFBORUKTZWZMDT-VELBRHGASA-N 2 1 464.567 -0.560 20 0 JBADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159353150 1069341750 /nfs/dbraw/zinc/34/17/50/1069341750.db2.gz QFBORUKTZWZMDT-VELBRHGASA-N 2 1 464.567 -0.560 20 0 JBADMP NC[C@H]([NH3+])c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159393384 1069341986 /nfs/dbraw/zinc/34/19/86/1069341986.db2.gz DQXVPXWZTZININ-GBESFXJTSA-N 2 1 456.572 -0.175 20 0 JBADMP NC[C@@H]([NH3+])c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159393385 1069342214 /nfs/dbraw/zinc/34/22/14/1069342214.db2.gz DQXVPXWZTZININ-IPMKNSEASA-N 2 1 456.572 -0.175 20 0 JBADMP O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394924 1069343074 /nfs/dbraw/zinc/34/30/74/1069343074.db2.gz SRTFMCQUGUWXBK-OKZBNKHCSA-N 2 1 460.604 -0.308 20 0 JBADMP O=C([C@H]1CCC2(CC[NH2+]CC2)N1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394927 1069342877 /nfs/dbraw/zinc/34/28/77/1069342877.db2.gz SRTFMCQUGUWXBK-RCCFBDPRSA-N 2 1 460.604 -0.308 20 0 JBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394983 1069342735 /nfs/dbraw/zinc/34/27/35/1069342735.db2.gz TXKYUJJFQCVGFI-OKZBNKHCSA-N 2 1 462.620 -0.110 20 0 JBADMP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394983 1069342719 /nfs/dbraw/zinc/34/27/19/1069342719.db2.gz TXKYUJJFQCVGFI-OKZBNKHCSA-N 2 1 462.620 -0.110 20 0 JBADMP CC(C)(C)N1CC[NH2+][C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394983 1069342707 /nfs/dbraw/zinc/34/27/07/1069342707.db2.gz TXKYUJJFQCVGFI-OKZBNKHCSA-N 2 1 462.620 -0.110 20 0 JBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394985 1069343130 /nfs/dbraw/zinc/34/31/30/1069343130.db2.gz TXKYUJJFQCVGFI-RCCFBDPRSA-N 2 1 462.620 -0.110 20 0 JBADMP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394985 1069343115 /nfs/dbraw/zinc/34/31/15/1069343115.db2.gz TXKYUJJFQCVGFI-RCCFBDPRSA-N 2 1 462.620 -0.110 20 0 JBADMP CC(C)(C)N1CC[NH2+][C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001159394985 1069343104 /nfs/dbraw/zinc/34/31/04/1069343104.db2.gz TXKYUJJFQCVGFI-RCCFBDPRSA-N 2 1 462.620 -0.110 20 0 JBADMP C[NH+]1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)cc2)CC1 ZINC001159398004 1069344210 /nfs/dbraw/zinc/34/42/10/1069344210.db2.gz UUJDDCHMTURWAL-AEFFLSMTSA-N 2 1 474.997 -0.129 20 0 JBADMP C[NH+]1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)cc2)CC1 ZINC001159398008 1069343903 /nfs/dbraw/zinc/34/39/03/1069343903.db2.gz UUJDDCHMTURWAL-FUHWJXTLSA-N 2 1 474.997 -0.129 20 0 JBADMP C[NH+]1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)cc2)CC1 ZINC001159398012 1069343995 /nfs/dbraw/zinc/34/39/95/1069343995.db2.gz UUJDDCHMTURWAL-SJLPKXTDSA-N 2 1 474.997 -0.129 20 0 JBADMP C[NH+]1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)cc2)CC1 ZINC001159398015 1069344087 /nfs/dbraw/zinc/34/40/87/1069344087.db2.gz UUJDDCHMTURWAL-WMZOPIPTSA-N 2 1 474.997 -0.129 20 0 JBADMP CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC3)CC1 ZINC001159416963 1069344730 /nfs/dbraw/zinc/34/47/30/1069344730.db2.gz ITQLCLVYLAXZQF-PMACEKPBSA-N 2 1 460.627 -0.580 20 0 JBADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159481020 1069350447 /nfs/dbraw/zinc/35/04/47/1069350447.db2.gz HFSYHQFHNPJWTQ-TVPUMLRDSA-N 2 1 474.602 -0.054 20 0 JBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CCC2 ZINC001159481857 1069350376 /nfs/dbraw/zinc/35/03/76/1069350376.db2.gz WWGPMFSGPGCETF-KRWDZBQOSA-N 2 1 455.567 -0.247 20 0 JBADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CCC2 ZINC001159481860 1069350704 /nfs/dbraw/zinc/35/07/04/1069350704.db2.gz WWGPMFSGPGCETF-QGZVFWFLSA-N 2 1 455.567 -0.247 20 0 JBADMP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508252 1069352466 /nfs/dbraw/zinc/35/24/66/1069352466.db2.gz VRFOFLKVZOLPMH-XGHQBKJUSA-N 2 1 457.641 -0.285 20 0 JBADMP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530732 1069354804 /nfs/dbraw/zinc/35/48/04/1069354804.db2.gz XOZWAEZILQLAQO-CTNGQTDRSA-N 2 1 476.622 -0.353 20 0 JBADMP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530733 1069355273 /nfs/dbraw/zinc/35/52/73/1069355273.db2.gz XOZWAEZILQLAQO-FPOVZHCZSA-N 2 1 476.622 -0.353 20 0 JBADMP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530734 1069355139 /nfs/dbraw/zinc/35/51/39/1069355139.db2.gz XOZWAEZILQLAQO-PZJWPPBQSA-N 2 1 476.622 -0.353 20 0 JBADMP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530735 1069354878 /nfs/dbraw/zinc/35/48/78/1069354878.db2.gz XOZWAEZILQLAQO-TZIWHRDSSA-N 2 1 476.622 -0.353 20 0 JBADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159608988 1069359474 /nfs/dbraw/zinc/35/94/74/1069359474.db2.gz KNPRQQDVCJRSTR-IBGZPJMESA-N 3 1 450.628 -0.864 20 0 JBADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159608989 1069359131 /nfs/dbraw/zinc/35/91/31/1069359131.db2.gz KNPRQQDVCJRSTR-LJQANCHMSA-N 3 1 450.628 -0.864 20 0 JBADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]2C1 ZINC001159634842 1069361380 /nfs/dbraw/zinc/36/13/80/1069361380.db2.gz FKNXGXCTPRUQRD-IVAOSVALSA-N 2 1 481.638 -0.419 20 0 JBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644354 1069362031 /nfs/dbraw/zinc/36/20/31/1069362031.db2.gz UNJQBZJGLQTCOZ-NFBKMPQASA-N 2 1 470.574 -0.299 20 0 JBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644357 1069362149 /nfs/dbraw/zinc/36/21/49/1069362149.db2.gz UNJQBZJGLQTCOZ-NZQKXSOJSA-N 2 1 470.574 -0.299 20 0 JBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644360 1069362257 /nfs/dbraw/zinc/36/22/57/1069362257.db2.gz UNJQBZJGLQTCOZ-OFNKIYASSA-N 2 1 470.574 -0.299 20 0 JBADMP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159644361 1069362086 /nfs/dbraw/zinc/36/20/86/1069362086.db2.gz UNJQBZJGLQTCOZ-REWPJTCUSA-N 2 1 470.574 -0.299 20 0 JBADMP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159663226 1069363203 /nfs/dbraw/zinc/36/32/03/1069363203.db2.gz GAEWGLBLNROLOL-IBGZPJMESA-N 2 1 455.563 -0.053 20 0 JBADMP Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159663227 1069363485 /nfs/dbraw/zinc/36/34/85/1069363485.db2.gz GAEWGLBLNROLOL-LJQANCHMSA-N 2 1 455.563 -0.053 20 0 JBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664964 1069364167 /nfs/dbraw/zinc/36/41/67/1069364167.db2.gz HBUQOWIPEBXAKK-LGKPFJOYSA-N 2 1 483.569 -0.364 20 0 JBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664965 1069364282 /nfs/dbraw/zinc/36/42/82/1069364282.db2.gz HBUQOWIPEBXAKK-MALNDZBISA-N 2 1 483.569 -0.364 20 0 JBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664966 1069364191 /nfs/dbraw/zinc/36/41/91/1069364191.db2.gz HBUQOWIPEBXAKK-SWUCNREESA-N 2 1 483.569 -0.364 20 0 JBADMP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664967 1069364073 /nfs/dbraw/zinc/36/40/73/1069364073.db2.gz HBUQOWIPEBXAKK-UDIDDNNKSA-N 2 1 483.569 -0.364 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666023 1069364355 /nfs/dbraw/zinc/36/43/55/1069364355.db2.gz NYRYVFDXOLKELE-FFGOWVMKSA-N 2 1 458.563 -0.662 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666024 1069364320 /nfs/dbraw/zinc/36/43/20/1069364320.db2.gz NYRYVFDXOLKELE-LEAZDLGRSA-N 2 1 458.563 -0.662 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666025 1069364141 /nfs/dbraw/zinc/36/41/41/1069364141.db2.gz NYRYVFDXOLKELE-NBYUQASBSA-N 2 1 458.563 -0.662 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666026 1069363986 /nfs/dbraw/zinc/36/39/86/1069363986.db2.gz NYRYVFDXOLKELE-RNQOJCNYSA-N 2 1 458.563 -0.662 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159714545 1069365427 /nfs/dbraw/zinc/36/54/27/1069365427.db2.gz VVPPWZFUTGWJTH-GSEOLPGOSA-N 2 1 458.563 -0.335 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159714546 1069365387 /nfs/dbraw/zinc/36/53/87/1069365387.db2.gz VVPPWZFUTGWJTH-IJXRJRJASA-N 2 1 458.563 -0.335 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)OC2(CC[NH2+]CC2)C1 ZINC001159714547 1069365539 /nfs/dbraw/zinc/36/55/39/1069365539.db2.gz VVPPWZFUTGWJTH-MTFMMBMASA-N 2 1 458.563 -0.335 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)OC2(CC[NH2+]CC2)C1 ZINC001159714548 1069366427 /nfs/dbraw/zinc/36/64/27/1069366427.db2.gz VVPPWZFUTGWJTH-VBSBHUPXSA-N 2 1 458.563 -0.335 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159737001 1069366285 /nfs/dbraw/zinc/36/62/85/1069366285.db2.gz ILRYWKQSZWLZRZ-DXIQSLLYSA-N 2 1 450.580 -0.447 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159737005 1069366167 /nfs/dbraw/zinc/36/61/67/1069366167.db2.gz ILRYWKQSZWLZRZ-KNKQGSTJSA-N 2 1 450.580 -0.447 20 0 JBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759135 1069366954 /nfs/dbraw/zinc/36/69/54/1069366954.db2.gz ZAWFBTDELMHTPM-WOIUINJBSA-N 2 1 458.611 -0.288 20 0 JBADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)O2)CC1 ZINC001159759136 1069367049 /nfs/dbraw/zinc/36/70/49/1069367049.db2.gz ZAWFBTDELMHTPM-XQBPLPMBSA-N 2 1 458.611 -0.288 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001159767494 1069367968 /nfs/dbraw/zinc/36/79/68/1069367968.db2.gz JBMNBQBLLPUCSZ-YSTOQKLRSA-N 2 1 450.580 -0.591 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001159767495 1069367760 /nfs/dbraw/zinc/36/77/60/1069367760.db2.gz JBMNBQBLLPUCSZ-ZRNYENFQSA-N 2 1 450.580 -0.591 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159790224 1069368543 /nfs/dbraw/zinc/36/85/43/1069368543.db2.gz AMHIWUFWTVPMSU-IBGZPJMESA-N 2 1 484.557 -0.049 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159790225 1069368689 /nfs/dbraw/zinc/36/86/89/1069368689.db2.gz AMHIWUFWTVPMSU-LJQANCHMSA-N 2 1 484.557 -0.049 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855045 1069372084 /nfs/dbraw/zinc/37/20/84/1069372084.db2.gz HCIMLUYFLSOJNA-RKOGWWSCSA-N 2 1 461.538 -0.056 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855046 1069372261 /nfs/dbraw/zinc/37/22/61/1069372261.db2.gz HCIMLUYFLSOJNA-UHMOLFJZSA-N 2 1 461.538 -0.056 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855047 1069371965 /nfs/dbraw/zinc/37/19/65/1069371965.db2.gz HCIMLUYFLSOJNA-UUXHPUJUSA-N 2 1 461.538 -0.056 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855048 1069372127 /nfs/dbraw/zinc/37/21/27/1069372127.db2.gz HCIMLUYFLSOJNA-ZSXHRAQDSA-N 2 1 461.538 -0.056 20 0 JBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888719 1069372622 /nfs/dbraw/zinc/37/26/22/1069372622.db2.gz VQBSJZHFPYNAEQ-DKICVRJWSA-N 2 1 452.506 -0.151 20 0 JBADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888720 1069373038 /nfs/dbraw/zinc/37/30/38/1069373038.db2.gz VQBSJZHFPYNAEQ-UVFQYZLESA-N 2 1 452.506 -0.151 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001159930402 1069373723 /nfs/dbraw/zinc/37/37/23/1069373723.db2.gz TWMUOMDRUACBQB-LWYYNNOASA-N 2 1 450.628 -0.378 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001159930402 1069373717 /nfs/dbraw/zinc/37/37/17/1069373717.db2.gz TWMUOMDRUACBQB-LWYYNNOASA-N 2 1 450.628 -0.378 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159980265 1069374975 /nfs/dbraw/zinc/37/49/75/1069374975.db2.gz KZDHFQMJAFXOOO-MSYCTHLASA-N 2 1 450.580 -0.162 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159980271 1069374949 /nfs/dbraw/zinc/37/49/49/1069374949.db2.gz KZDHFQMJAFXOOO-PWHSHALESA-N 2 1 450.580 -0.162 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065527 1069377060 /nfs/dbraw/zinc/37/70/60/1069377060.db2.gz KOGANCQTWFZLEL-RDJZCZTQSA-N 2 1 454.535 -0.631 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102298 1069381551 /nfs/dbraw/zinc/38/15/51/1069381551.db2.gz KFHVWBHLQMFTQA-MOPGFXCFSA-N 2 1 450.580 -0.304 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102299 1069381780 /nfs/dbraw/zinc/38/17/80/1069381780.db2.gz KFHVWBHLQMFTQA-OALUTQOASA-N 2 1 450.580 -0.304 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102300 1069381816 /nfs/dbraw/zinc/38/18/16/1069381816.db2.gz KFHVWBHLQMFTQA-RBUKOAKNSA-N 2 1 450.580 -0.304 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160102301 1069381477 /nfs/dbraw/zinc/38/14/77/1069381477.db2.gz KFHVWBHLQMFTQA-RTBURBONSA-N 2 1 450.580 -0.304 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160343994 1069388104 /nfs/dbraw/zinc/38/81/04/1069388104.db2.gz OHARPXZAVMPLFS-HKUYNNGSSA-N 2 1 468.562 -0.486 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160343999 1069388184 /nfs/dbraw/zinc/38/81/84/1069388184.db2.gz OHARPXZAVMPLFS-IEBWSBKVSA-N 2 1 468.562 -0.486 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160344002 1069388211 /nfs/dbraw/zinc/38/82/11/1069388211.db2.gz OHARPXZAVMPLFS-MJGOQNOKSA-N 2 1 468.562 -0.486 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)OC2(CC[NH2+]CC2)C1 ZINC001160344004 1069387916 /nfs/dbraw/zinc/38/79/16/1069387916.db2.gz OHARPXZAVMPLFS-PKOBYXMFSA-N 2 1 468.562 -0.486 20 0 JBADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160380114 1069389713 /nfs/dbraw/zinc/38/97/13/1069389713.db2.gz BHMDQPYNXNOOAI-IBGZPJMESA-N 2 1 467.574 -0.053 20 0 JBADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160380114 1069389702 /nfs/dbraw/zinc/38/97/02/1069389702.db2.gz BHMDQPYNXNOOAI-IBGZPJMESA-N 2 1 467.574 -0.053 20 0 JBADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160380117 1069389840 /nfs/dbraw/zinc/38/98/40/1069389840.db2.gz BHMDQPYNXNOOAI-LJQANCHMSA-N 2 1 467.574 -0.053 20 0 JBADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160380117 1069389834 /nfs/dbraw/zinc/38/98/34/1069389834.db2.gz BHMDQPYNXNOOAI-LJQANCHMSA-N 2 1 467.574 -0.053 20 0 JBADMP CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160392044 1069390439 /nfs/dbraw/zinc/39/04/39/1069390439.db2.gz VEQYITHDNLWUQC-OALUTQOASA-N 2 1 450.628 -0.021 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)OC2(CC[NH2+]CC2)C1 ZINC001160398103 1069390984 /nfs/dbraw/zinc/39/09/84/1069390984.db2.gz FXUCVIZLPWENIC-IBGZPJMESA-N 2 1 458.563 -0.237 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)OC2(CC[NH2+]CC2)C1 ZINC001160398106 1069391188 /nfs/dbraw/zinc/39/11/88/1069391188.db2.gz FXUCVIZLPWENIC-LJQANCHMSA-N 2 1 458.563 -0.237 20 0 JBADMP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160403542 1069392381 /nfs/dbraw/zinc/39/23/81/1069392381.db2.gz ALESRUJVIIVFIC-GOSISDBHSA-N 2 1 470.578 -0.616 20 0 JBADMP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001160403545 1069392480 /nfs/dbraw/zinc/39/24/80/1069392480.db2.gz ALESRUJVIIVFIC-SFHVURJKSA-N 2 1 470.578 -0.616 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)C(=O)CF ZINC001160491075 1069394802 /nfs/dbraw/zinc/39/48/02/1069394802.db2.gz RQGBZEZPBQPDKL-KNBMTAEXSA-N 2 1 471.574 -0.789 20 0 JBADMP Cc1cc[nH+]c(N2CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2)c1 ZINC001160601959 1069397769 /nfs/dbraw/zinc/39/77/69/1069397769.db2.gz IKQUEOOIRYTKAG-FIKGOQFSSA-N 2 1 478.569 -0.060 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)C(=O)NCC(N)=O ZINC001160629540 1069398678 /nfs/dbraw/zinc/39/86/78/1069398678.db2.gz TZNHGBOZWPUOOY-HOJAQTOUSA-N 2 1 478.638 -0.426 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)C(=O)NCC(N)=O ZINC001160629543 1069398803 /nfs/dbraw/zinc/39/88/03/1069398803.db2.gz TZNHGBOZWPUOOY-IHPCNDPISA-N 2 1 478.638 -0.426 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(=O)CF ZINC001160670345 1069401318 /nfs/dbraw/zinc/40/13/18/1069401318.db2.gz XIRWWMRTVHUPJP-ZWOKBUDYSA-N 2 1 485.601 -0.399 20 0 JBADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160682692 1069401257 /nfs/dbraw/zinc/40/12/57/1069401257.db2.gz ISFGITRSUFWHGI-JOCHJYFZSA-N 2 1 494.596 -0.403 20 0 JBADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160682693 1069401097 /nfs/dbraw/zinc/40/10/97/1069401097.db2.gz ISFGITRSUFWHGI-QFIPXVFZSA-N 2 1 494.596 -0.403 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(c2[nH+]cccc2N)CC1)C(=O)CF ZINC001160825870 1069404816 /nfs/dbraw/zinc/40/48/16/1069404816.db2.gz NTYSTDZLQLBYJH-QOKNQOGYSA-N 2 1 479.557 -0.786 20 0 JBADMP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991317 1069410033 /nfs/dbraw/zinc/41/00/33/1069410033.db2.gz BKCKPAAMKVGXSU-ROUUACIJSA-N 2 1 480.564 -0.626 20 0 JBADMP CN1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161120104 1069416196 /nfs/dbraw/zinc/41/61/96/1069416196.db2.gz XPGXBXCASVJERU-FHWLQOOXSA-N 2 1 484.592 -0.819 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161120104 1069416192 /nfs/dbraw/zinc/41/61/92/1069416192.db2.gz XPGXBXCASVJERU-FHWLQOOXSA-N 3 1 484.592 -0.819 20 0 JBADMP CN1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161120105 1069416001 /nfs/dbraw/zinc/41/60/01/1069416001.db2.gz XPGXBXCASVJERU-GBESFXJTSA-N 2 1 484.592 -0.819 20 0 JBADMP C[N@H+]1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161120105 1069415991 /nfs/dbraw/zinc/41/59/91/1069415991.db2.gz XPGXBXCASVJERU-GBESFXJTSA-N 3 1 484.592 -0.819 20 0 JBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122658 1069416747 /nfs/dbraw/zinc/41/67/47/1069416747.db2.gz FGSFXPKILFYYHP-ULQDDVLXSA-N 2 1 457.522 -0.776 20 0 JBADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122705 1069416592 /nfs/dbraw/zinc/41/65/92/1069416592.db2.gz HDTLJKGIUNOUEE-BZSNNMDCSA-N 2 1 456.582 -0.199 20 0 JBADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C1 ZINC001161122706 1069417321 /nfs/dbraw/zinc/41/73/21/1069417321.db2.gz HDTLJKGIUNOUEE-OKZBNKHCSA-N 2 1 456.582 -0.199 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C[NH2+]C3CC[NH2+]CC3)CC2)c2nonc21 ZINC001161153844 1069420614 /nfs/dbraw/zinc/42/06/14/1069420614.db2.gz PHIPEOLRQBXSGP-UHFFFAOYSA-N 2 1 451.553 -0.537 20 0 JBADMP CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@H]2C1 ZINC001161174795 1069421966 /nfs/dbraw/zinc/42/19/66/1069421966.db2.gz FXKPGXRFACTOGK-GHHWKCCRSA-N 2 1 455.575 -0.312 20 0 JBADMP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161192337 1069422624 /nfs/dbraw/zinc/42/26/24/1069422624.db2.gz PZMGMMYKGKFVQZ-FQEVSTJZSA-N 3 1 461.611 -0.136 20 0 JBADMP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196593 1069422573 /nfs/dbraw/zinc/42/25/73/1069422573.db2.gz NYLLCWOKWQSGDK-FQEVSTJZSA-N 3 1 456.653 -0.049 20 0 JBADMP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196594 1069422654 /nfs/dbraw/zinc/42/26/54/1069422654.db2.gz NYLLCWOKWQSGDK-HXUWFJFHSA-N 3 1 456.653 -0.049 20 0 JBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198095 1069422527 /nfs/dbraw/zinc/42/25/27/1069422527.db2.gz LHXWWQHWDBWDHW-VXKWHMMOSA-N 4 1 466.671 -0.016 20 0 JBADMP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198272 1069422400 /nfs/dbraw/zinc/42/24/00/1069422400.db2.gz OYCWJTCGMDPPHY-FHWLQOOXSA-N 2 1 496.653 -0.929 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380033 1069425698 /nfs/dbraw/zinc/42/56/98/1069425698.db2.gz ITDNOALTNTZPNJ-FUDKSRODSA-N 3 1 472.634 -0.163 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380035 1069425633 /nfs/dbraw/zinc/42/56/33/1069425633.db2.gz ITDNOALTNTZPNJ-GIWBLDEGSA-N 3 1 472.634 -0.163 20 0 JBADMP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381362 1069425690 /nfs/dbraw/zinc/42/56/90/1069425690.db2.gz YBAKFUMSUMHKSG-AABGKKOBSA-N 2 1 462.595 -0.872 20 0 JBADMP CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381363 1069425584 /nfs/dbraw/zinc/42/55/84/1069425584.db2.gz YBAKFUMSUMHKSG-UFYCRDLUSA-N 2 1 462.595 -0.872 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381808 1069425740 /nfs/dbraw/zinc/42/57/40/1069425740.db2.gz ZQNDWGJSYPCTCP-LEAZDLGRSA-N 3 1 450.628 -0.121 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381817 1069425663 /nfs/dbraw/zinc/42/56/63/1069425663.db2.gz ZQNDWGJSYPCTCP-RNQOJCNYSA-N 3 1 450.628 -0.121 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)C(=O)CF ZINC001161444089 1069426601 /nfs/dbraw/zinc/42/66/01/1069426601.db2.gz BNLLYRSZZBCQDI-BOSXTWCSSA-N 2 1 472.606 -0.970 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)C(=O)CF ZINC001161444090 1069426571 /nfs/dbraw/zinc/42/65/71/1069426571.db2.gz BNLLYRSZZBCQDI-CLWJZODNSA-N 2 1 472.606 -0.970 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161500124 1069427761 /nfs/dbraw/zinc/42/77/61/1069427761.db2.gz OKPMNHISKBXISL-VCOUNFBDSA-N 2 1 459.591 -0.255 20 0 JBADMP CS(=O)(=O)c1nc2c(c(NCc3cc(N4CCS(=O)(=O)CC4)cc[nH+]3)n1)CC[NH2+]CC2 ZINC001162065738 1069437856 /nfs/dbraw/zinc/43/78/56/1069437856.db2.gz OZIGQQPCOIHYLO-UHFFFAOYSA-N 2 1 466.589 -0.190 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1[nH+]ccc2c1NC(=O)CO2)C(N)=O ZINC001162858566 1069445044 /nfs/dbraw/zinc/44/50/44/1069445044.db2.gz IIKVWJVEZIEKNQ-MPGHIAIKSA-N 2 1 489.577 -0.061 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncnc2c1C[NH2+]C2)C(N)=O ZINC001162858891 1069445796 /nfs/dbraw/zinc/44/57/96/1069445796.db2.gz YKWNILWCMKFXJC-SZMVWBNQSA-N 2 1 460.583 -0.394 20 0 JBADMP NC(=O)[C@H](Cc1cn(-c2cc3c(nn2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163427061 1069451565 /nfs/dbraw/zinc/45/15/65/1069451565.db2.gz HSAWXPWYUHXJSY-ICSRJNTNSA-N 2 1 473.541 -0.128 20 0 JBADMP NC(=O)[C@H](Cc1cn(-c2ncnc3c2CC[NH2+]CC3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163427066 1069451465 /nfs/dbraw/zinc/45/14/65/1069451465.db2.gz GRSGFPCDNAGEBS-FPOVZHCZSA-N 2 1 487.568 -0.086 20 0 JBADMP NC(=O)[C@H](Cc1cn(-c2ncc3c(n2)CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163427992 1069451443 /nfs/dbraw/zinc/45/14/43/1069451443.db2.gz PDVRQUQDTJFTBG-ICSRJNTNSA-N 2 1 473.541 -0.128 20 0 JBADMP NC(=O)[C@H](Cc1cn(-c2cc(C3C[NH2+]C3)ncn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163433725 1069453132 /nfs/dbraw/zinc/45/31/32/1069453132.db2.gz QLSLUOFUQQUKOD-ICSRJNTNSA-N 2 1 473.541 -0.087 20 0 JBADMP C[NH+]1CCN(c2nccc(-n3cc4c(nc3=NCC3CC3)[C@@H]3C[NH2+]C[C@@H]3S(=O)(=O)C4)n2)CC1 ZINC001164792744 721475856 /nfs/dbraw/zinc/47/58/56/721475856.db2.gz PHYAQBSAZGTLCY-MSOLQXFVSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2nccc(-n3cc4c(nc3=NCC3CC3)[C@@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)n2)CC1 ZINC001164792751 721475993 /nfs/dbraw/zinc/47/59/93/721475993.db2.gz PHYAQBSAZGTLCY-QZTJIDSGSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2nccc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@@H]3S(=O)(=O)C4)n2)CC1 ZINC001164792753 721475770 /nfs/dbraw/zinc/47/57/70/721475770.db2.gz PHYAQBSAZGTLCY-ROUUACIJSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2nccc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)n2)CC1 ZINC001164792756 721476013 /nfs/dbraw/zinc/47/60/13/721476013.db2.gz PHYAQBSAZGTLCY-ZWKOTPCHSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2ccc(-n3cc4c(nc3=NCC3CC3)[C@@H]3C[NH2+]C[C@@H]3S(=O)(=O)C4)nn2)CC1 ZINC001164793327 721475530 /nfs/dbraw/zinc/47/55/30/721475530.db2.gz UUNAIMDDVYREBQ-MSOLQXFVSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2ccc(-n3cc4c(nc3=NCC3CC3)[C@@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)nn2)CC1 ZINC001164793328 721475461 /nfs/dbraw/zinc/47/54/61/721475461.db2.gz UUNAIMDDVYREBQ-QZTJIDSGSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2ccc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@@H]3S(=O)(=O)C4)nn2)CC1 ZINC001164793329 721475637 /nfs/dbraw/zinc/47/56/37/721475637.db2.gz UUNAIMDDVYREBQ-ROUUACIJSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2ccc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)nn2)CC1 ZINC001164793330 721475591 /nfs/dbraw/zinc/47/55/91/721475591.db2.gz UUNAIMDDVYREBQ-ZWKOTPCHSA-N 2 1 470.603 -0.291 20 0 JBADMP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(S(C)(=O)=O)nc4c2CC[NH2+]CC4)CC3)CC1 ZINC001164996020 722229209 /nfs/dbraw/zinc/22/92/09/722229209.db2.gz APEBGZHOXBZNEF-UHFFFAOYSA-N 2 1 472.619 -0.285 20 0 JBADMP C[NH+]1CCN(c2nccc(N3CCN([C@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)n2)CC1 ZINC001165190057 1069462710 /nfs/dbraw/zinc/46/27/10/1069462710.db2.gz IIOSESYQIWJJHJ-MSOLQXFVSA-N 2 1 464.565 -0.052 20 0 JBADMP C[NH+]1CCN(c2nccc(N3CCN([C@H]4C[NH2+][C@@H](C(=O)N5CCC(F)(F)C5)C4)CC3)n2)CC1 ZINC001165190058 1069462821 /nfs/dbraw/zinc/46/28/21/1069462821.db2.gz IIOSESYQIWJJHJ-QZTJIDSGSA-N 2 1 464.565 -0.052 20 0 JBADMP C[NH+]1CCN(c2nccc(N3CCN([C@@H]4C[NH2+][C@@H](C(=O)N5CCC(F)(F)C5)C4)CC3)n2)CC1 ZINC001165190059 1069462757 /nfs/dbraw/zinc/46/27/57/1069462757.db2.gz IIOSESYQIWJJHJ-ZWKOTPCHSA-N 2 1 464.565 -0.052 20 0 JBADMP CS(=O)(=O)c1nc2c(c(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)n1)CC[NH2+]CC2 ZINC001165496808 1069465501 /nfs/dbraw/zinc/46/55/01/1069465501.db2.gz VUHSQPBULQPNDL-UHFFFAOYSA-N 2 1 456.550 -0.832 20 0 JBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)n2)CC1 ZINC001165841339 1069476247 /nfs/dbraw/zinc/47/62/47/1069476247.db2.gz TYHLLDQPZYAZAS-KZNAEPCWSA-N 2 1 464.592 -0.498 20 0 JBADMP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)n2)CC1 ZINC001165841340 1069476395 /nfs/dbraw/zinc/47/63/95/1069476395.db2.gz TYHLLDQPZYAZAS-RCCFBDPRSA-N 2 1 464.592 -0.498 20 0 JBADMP CN(C)C(=O)CN1C[C@H]2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)CC[C@H]2S1(=O)=O ZINC001166331705 1069482059 /nfs/dbraw/zinc/48/20/59/1069482059.db2.gz GYJQQUVPEVEFPV-NVXWUHKLSA-N 2 1 451.597 -0.277 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001169099474 1068494701 /nfs/dbraw/zinc/49/47/01/1068494701.db2.gz SSEGUUGIPDKAHP-BIVLZKPYSA-N 2 1 477.566 -0.166 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001169099475 1068494543 /nfs/dbraw/zinc/49/45/43/1068494543.db2.gz SSEGUUGIPDKAHP-BQJWPVKWSA-N 2 1 477.566 -0.166 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001169099476 1068494416 /nfs/dbraw/zinc/49/44/16/1068494416.db2.gz SSEGUUGIPDKAHP-JZAWBGDQSA-N 2 1 477.566 -0.166 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001169099477 1068494609 /nfs/dbraw/zinc/49/46/09/1068494609.db2.gz SSEGUUGIPDKAHP-QEOTZNIISA-N 2 1 477.566 -0.166 20 0 JBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169172592 1068496941 /nfs/dbraw/zinc/49/69/41/1068496941.db2.gz RDLFMHJKGRSKBR-KBPBESRZSA-N 2 1 450.544 -0.613 20 0 JBADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169172593 1068496898 /nfs/dbraw/zinc/49/68/98/1068496898.db2.gz RDLFMHJKGRSKBR-KGLIPLIRSA-N 2 1 450.544 -0.613 20 0 JBADMP CCOC(=O)c1cc2c(cc(C)[nH+]c2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1C ZINC001171262915 1068595534 /nfs/dbraw/zinc/59/55/34/1068595534.db2.gz UBTICRZJBRDAPB-KLICCBINSA-N 2 1 458.475 -0.229 20 0 JBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264414 1068597164 /nfs/dbraw/zinc/59/71/64/1068597164.db2.gz FGZUIEATWODHGK-NXWXRZEISA-N 2 1 465.532 -0.910 20 0 JBADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(C(=O)N4CCC([NH+]5CCCC5)CC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264510 1068597036 /nfs/dbraw/zinc/59/70/36/1068597036.db2.gz JWNCKZCDXULXCM-KTDPBYDISA-N 2 1 499.572 -0.506 20 0 JBADMP C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728225 1068631446 /nfs/dbraw/zinc/63/14/46/1068631446.db2.gz LOCXVBLAURNPSE-CCRXZMLTSA-N 2 1 455.519 -0.411 20 0 JBADMP C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728226 1068631615 /nfs/dbraw/zinc/63/16/15/1068631615.db2.gz LOCXVBLAURNPSE-CZXRITGDSA-N 2 1 455.519 -0.411 20 0 JBADMP C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728227 1068631869 /nfs/dbraw/zinc/63/18/69/1068631869.db2.gz LOCXVBLAURNPSE-MVRLHCLPSA-N 2 1 455.519 -0.411 20 0 JBADMP C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C[N@H+]1Cc1ccccc1 ZINC001171728228 1068631390 /nfs/dbraw/zinc/63/13/90/1068631390.db2.gz LOCXVBLAURNPSE-UANOPRFOSA-N 2 1 455.519 -0.411 20 0 JBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001172113793 1068634662 /nfs/dbraw/zinc/63/46/62/1068634662.db2.gz MKVJWYOJMRTPJQ-MDMHHNQBSA-N 2 1 476.626 -0.844 20 0 JBADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1)C2 ZINC001172113794 1068634801 /nfs/dbraw/zinc/63/48/01/1068634801.db2.gz MKVJWYOJMRTPJQ-WPVAHCMFSA-N 3 1 476.626 -0.844 20 0 JBADMP COCCC[NH+]1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172249592 1068637133 /nfs/dbraw/zinc/63/71/33/1068637133.db2.gz KTSZCCBFJBSFFN-SFTDATJTSA-N 2 1 475.638 -0.078 20 0 JBADMP CC[N@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351560 1068641254 /nfs/dbraw/zinc/64/12/54/1068641254.db2.gz CRANPRPGLUQLDQ-ILXRZTDVSA-N 2 1 451.528 -0.697 20 0 JBADMP CC[N@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351565 1068641605 /nfs/dbraw/zinc/64/16/05/1068641605.db2.gz CRANPRPGLUQLDQ-KKUMJFAQSA-N 2 1 451.528 -0.697 20 0 JBADMP CC[N@H+]1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351567 1068641421 /nfs/dbraw/zinc/64/14/21/1068641421.db2.gz CRANPRPGLUQLDQ-QLFBSQMISA-N 2 1 451.528 -0.697 20 0 JBADMP CC[N@H+]1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173351571 1068641657 /nfs/dbraw/zinc/64/16/57/1068641657.db2.gz CRANPRPGLUQLDQ-SOUVJXGZSA-N 2 1 451.528 -0.697 20 0 JBADMP CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385242 1068655921 /nfs/dbraw/zinc/65/59/21/1068655921.db2.gz KQOWUEXNNDCEQE-FXALTLAESA-N 2 1 468.599 -0.248 20 0 JBADMP CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385243 1068655693 /nfs/dbraw/zinc/65/56/93/1068655693.db2.gz KQOWUEXNNDCEQE-MZPGVEPJSA-N 2 1 468.599 -0.248 20 0 JBADMP CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385244 1068655540 /nfs/dbraw/zinc/65/55/40/1068655540.db2.gz KQOWUEXNNDCEQE-OUCQQMGCSA-N 2 1 468.599 -0.248 20 0 JBADMP CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385245 1068656011 /nfs/dbraw/zinc/65/60/11/1068656011.db2.gz KQOWUEXNNDCEQE-RRUHPTRMSA-N 2 1 468.599 -0.248 20 0 JBADMP COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]4NCN[C@@H]42)Cn2ccnc23)cc1 ZINC001176762072 1068661730 /nfs/dbraw/zinc/66/17/30/1068661730.db2.gz HDFYUKCMOUUYNV-JSXRDJHFSA-N 2 1 482.589 -0.699 20 0 JBADMP COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]4NCN[C@H]42)Cn2ccnc23)cc1 ZINC001176762074 1068662082 /nfs/dbraw/zinc/66/20/82/1068662082.db2.gz HDFYUKCMOUUYNV-TUFLPTIASA-N 2 1 482.589 -0.699 20 0 JBADMP COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]4NCN[C@H]42)Cn2ccnc23)cc1 ZINC001176762075 1068662567 /nfs/dbraw/zinc/66/25/67/1068662567.db2.gz HDFYUKCMOUUYNV-WOZUAGRISA-N 2 1 482.589 -0.699 20 0 JBADMP COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]4NCN[C@@H]42)Cn2ccnc23)cc1 ZINC001176762078 1068662635 /nfs/dbraw/zinc/66/26/35/1068662635.db2.gz HDFYUKCMOUUYNV-XSDIEEQYSA-N 2 1 482.589 -0.699 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C)C(N)=O ZINC001178703089 1068694409 /nfs/dbraw/zinc/69/44/09/1068694409.db2.gz YTLVMLTWDUKVMR-RDGPPVDQSA-N 2 1 466.627 -0.298 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C)C(N)=O ZINC001178703089 1068694406 /nfs/dbraw/zinc/69/44/06/1068694406.db2.gz YTLVMLTWDUKVMR-RDGPPVDQSA-N 2 1 466.627 -0.298 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C)C(N)=O ZINC001178703090 1068694402 /nfs/dbraw/zinc/69/44/02/1068694402.db2.gz YTLVMLTWDUKVMR-VJANTYMQSA-N 2 1 466.627 -0.298 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C)C(N)=O ZINC001178703090 1068694401 /nfs/dbraw/zinc/69/44/01/1068694401.db2.gz YTLVMLTWDUKVMR-VJANTYMQSA-N 2 1 466.627 -0.298 20 0 JBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001178728551 1068696678 /nfs/dbraw/zinc/69/66/78/1068696678.db2.gz FKDRPZRTDGLDGF-RQIOHKNLSA-N 2 1 483.529 -0.839 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154935 1068701721 /nfs/dbraw/zinc/70/17/21/1068701721.db2.gz ARANSFYPKKTUPW-HNNXBMFYSA-N 2 1 459.548 -0.249 20 0 JBADMP C[N@H+]1C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154937 1068701946 /nfs/dbraw/zinc/70/19/46/1068701946.db2.gz ARANSFYPKKTUPW-OAHLLOKOSA-N 2 1 459.548 -0.249 20 0 JBADMP CC(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180820836 1068723265 /nfs/dbraw/zinc/72/32/65/1068723265.db2.gz ACDYDBODQOGYGT-LWYYNNOASA-N 2 1 459.620 -0.538 20 0 JBADMP CC(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180820837 1068723414 /nfs/dbraw/zinc/72/34/14/1068723414.db2.gz ACDYDBODQOGYGT-MUGJNUQGSA-N 2 1 459.620 -0.538 20 0 JBADMP CC(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180820838 1068723209 /nfs/dbraw/zinc/72/32/09/1068723209.db2.gz ACDYDBODQOGYGT-YRPNKDGESA-N 2 1 459.620 -0.538 20 0 JBADMP CC(=O)N1[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CSC12CC[NH+](Cc1ccccc1)CC2 ZINC001180820839 1068723335 /nfs/dbraw/zinc/72/33/35/1068723335.db2.gz ACDYDBODQOGYGT-ZGXWSNOMSA-N 2 1 459.620 -0.538 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@H+](C(C)C)C1)C(N)=O ZINC001181981250 1068738519 /nfs/dbraw/zinc/73/85/19/1068738519.db2.gz WRRLNYZQSURGMO-FYQPLNBISA-N 2 1 480.654 -0.052 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[N@H+](C(C)C)C1)C(N)=O ZINC001181981251 1068738690 /nfs/dbraw/zinc/73/86/90/1068738690.db2.gz WRRLNYZQSURGMO-MUGJNUQGSA-N 2 1 480.654 -0.052 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982263 1068738636 /nfs/dbraw/zinc/73/86/36/1068738636.db2.gz NRDBAKNFSUNMIK-HRCADAONSA-N 2 1 493.565 -0.593 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982264 1068738666 /nfs/dbraw/zinc/73/86/66/1068738666.db2.gz NRDBAKNFSUNMIK-JYJNAYRXSA-N 2 1 493.565 -0.593 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982265 1068739000 /nfs/dbraw/zinc/73/90/00/1068739000.db2.gz NRDBAKNFSUNMIK-OWCLPIDISA-N 2 1 493.565 -0.593 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)c(N)nc2=O ZINC001181982266 1068739142 /nfs/dbraw/zinc/73/91/42/1068739142.db2.gz NRDBAKNFSUNMIK-PMPSAXMXSA-N 2 1 493.565 -0.593 20 0 JBADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001182342905 1068744931 /nfs/dbraw/zinc/74/49/31/1068744931.db2.gz GTXOZWWFXCZZKK-HMFTUFPWSA-N 2 1 497.556 -0.386 20 0 JBADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001182342906 1068744981 /nfs/dbraw/zinc/74/49/81/1068744981.db2.gz GTXOZWWFXCZZKK-PXBBLBRZSA-N 2 1 497.556 -0.386 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH+](C)C)CC1)C(N)=O ZINC001182602166 1068749762 /nfs/dbraw/zinc/74/97/62/1068749762.db2.gz YXOTUYFESZSAPZ-ULQDDVLXSA-N 2 1 452.600 -0.689 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@H+]1C(C)C)C(N)=O ZINC001182871850 1068753541 /nfs/dbraw/zinc/75/35/41/1068753541.db2.gz VJSOEYPIYIDOBZ-VJANTYMQSA-N 2 1 466.627 -0.300 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@@H+]1C(C)C)C(N)=O ZINC001182871850 1068753533 /nfs/dbraw/zinc/75/35/33/1068753533.db2.gz VJSOEYPIYIDOBZ-VJANTYMQSA-N 2 1 466.627 -0.300 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)C[N@H+]3CC[C@@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001186047831 1068816307 /nfs/dbraw/zinc/81/63/07/1068816307.db2.gz CGNZGEYXJCJDLN-CEMLEFRQSA-N 2 1 495.584 -0.023 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)C[N@@H+]3CC[C@@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001186047831 1068816290 /nfs/dbraw/zinc/81/62/90/1068816290.db2.gz CGNZGEYXJCJDLN-CEMLEFRQSA-N 2 1 495.584 -0.023 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)C[N@H+]3CC[C@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001186047835 1068816369 /nfs/dbraw/zinc/81/63/69/1068816369.db2.gz CGNZGEYXJCJDLN-KSEOMHKRSA-N 2 1 495.584 -0.023 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)C[N@@H+]3CC[C@H](O)C3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001186047835 1068816356 /nfs/dbraw/zinc/81/63/56/1068816356.db2.gz CGNZGEYXJCJDLN-KSEOMHKRSA-N 2 1 495.584 -0.023 20 0 JBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116263 1068817897 /nfs/dbraw/zinc/81/78/97/1068817897.db2.gz CNATVMUQURFWKA-GAKQYBQZSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116263 1068817883 /nfs/dbraw/zinc/81/78/83/1068817883.db2.gz CNATVMUQURFWKA-GAKQYBQZSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116264 1068817799 /nfs/dbraw/zinc/81/77/99/1068817799.db2.gz CNATVMUQURFWKA-MNIZTNQSSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116264 1068817781 /nfs/dbraw/zinc/81/77/81/1068817781.db2.gz CNATVMUQURFWKA-MNIZTNQSSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116265 1068818125 /nfs/dbraw/zinc/81/81/25/1068818125.db2.gz CNATVMUQURFWKA-ODGNUVPMSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116265 1068818113 /nfs/dbraw/zinc/81/81/13/1068818113.db2.gz CNATVMUQURFWKA-ODGNUVPMSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116266 1068817966 /nfs/dbraw/zinc/81/79/66/1068817966.db2.gz CNATVMUQURFWKA-TWTKXFDXSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001186116266 1068817952 /nfs/dbraw/zinc/81/79/52/1068817952.db2.gz CNATVMUQURFWKA-TWTKXFDXSA-N 3 1 458.600 -0.223 20 0 JBADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001186117212 1068818279 /nfs/dbraw/zinc/81/82/79/1068818279.db2.gz UVVVFBRXABFDKW-LBPRGKRZSA-N 2 1 454.509 -0.740 20 0 JBADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001186117212 1068818271 /nfs/dbraw/zinc/81/82/71/1068818271.db2.gz UVVVFBRXABFDKW-LBPRGKRZSA-N 2 1 454.509 -0.740 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC[N@@H+](C)C1)c(N)nc2=O ZINC001186361626 1068820548 /nfs/dbraw/zinc/82/05/48/1068820548.db2.gz BVFVVSWNVOYNDS-KKUMJFAQSA-N 2 1 479.538 -0.981 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC[N@@H+](C)C1)c(N)nc2=O ZINC001186361627 1068820743 /nfs/dbraw/zinc/82/07/43/1068820743.db2.gz BVFVVSWNVOYNDS-SOUVJXGZSA-N 2 1 479.538 -0.981 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](C)C1)C(N)=O ZINC001186370102 1068820497 /nfs/dbraw/zinc/82/04/97/1068820497.db2.gz QIHLYKPWOBILJO-VJANTYMQSA-N 2 1 466.627 -0.441 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001186456687 1068821405 /nfs/dbraw/zinc/82/14/05/1068821405.db2.gz CXUXFPMSDMYJRS-FUMNGEBKSA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001186456687 1068821396 /nfs/dbraw/zinc/82/13/96/1068821396.db2.gz CXUXFPMSDMYJRS-FUMNGEBKSA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001186456688 1068821286 /nfs/dbraw/zinc/82/12/86/1068821286.db2.gz CXUXFPMSDMYJRS-FYQPLNBISA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001186456688 1068821274 /nfs/dbraw/zinc/82/12/74/1068821274.db2.gz CXUXFPMSDMYJRS-FYQPLNBISA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001186456689 1068821619 /nfs/dbraw/zinc/82/16/19/1068821619.db2.gz CXUXFPMSDMYJRS-YSTOQKLRSA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001186456689 1068821607 /nfs/dbraw/zinc/82/16/07/1068821607.db2.gz CXUXFPMSDMYJRS-YSTOQKLRSA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001186456690 1068821571 /nfs/dbraw/zinc/82/15/71/1068821571.db2.gz CXUXFPMSDMYJRS-ZRNYENFQSA-N 2 1 471.606 -0.125 20 0 JBADMP CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001186456690 1068821553 /nfs/dbraw/zinc/82/15/53/1068821553.db2.gz CXUXFPMSDMYJRS-ZRNYENFQSA-N 2 1 471.606 -0.125 20 0 JBADMP CC1=C(C(=O)O[C@@H]2C[NH2+]C[C@@H]2F)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001217997591 1069503083 /nfs/dbraw/zinc/50/30/83/1069503083.db2.gz FFVLXZFIFWPHMO-WCHVHBCKSA-N 2 1 450.492 -0.081 20 0 JBADMP CC1=C(C(=O)O[C@H]2C[NH2+]C[C@@H]2F)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218018757 1069503108 /nfs/dbraw/zinc/50/31/08/1069503108.db2.gz FFVLXZFIFWPHMO-HLMBZOQJSA-N 2 1 450.492 -0.081 20 0 JBADMP CC1=C(C(=O)O[C@@H]2C[NH2+]CCOC2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218040692 1069503741 /nfs/dbraw/zinc/50/37/41/1069503741.db2.gz BUVWLFVNXVSTST-AXHMDWHKSA-N 2 1 462.528 -0.403 20 0 JBADMP CC1=C(C(=O)O[C@H]2C[NH2+]CCOC2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218040693 1069503633 /nfs/dbraw/zinc/50/36/33/1069503633.db2.gz BUVWLFVNXVSTST-QCBUCWTNSA-N 2 1 462.528 -0.403 20 0 JBADMP CC1=C(C(=O)O[C@H]2COC3(C[NH2+]C3)C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218057355 1069503714 /nfs/dbraw/zinc/50/37/14/1069503714.db2.gz BTURXFNEOFZYOT-AXHMDWHKSA-N 2 1 474.539 -0.260 20 0 JBADMP CC1=C(C(=O)O[C@@H]2COC3(C[NH2+]C3)C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218057357 1069503705 /nfs/dbraw/zinc/50/37/05/1069503705.db2.gz BTURXFNEOFZYOT-QCBUCWTNSA-N 2 1 474.539 -0.260 20 0 JBADMP CC1=C(C(=O)O[C@H]2C[C@H]3C[NH2+]CCN3C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218071293 1069503618 /nfs/dbraw/zinc/50/36/18/1069503618.db2.gz ISVLCKWOLDDTAP-XJYKWNPCSA-N 2 1 487.582 -0.345 20 0 JBADMP CC1=C(C(=O)OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218084615 1069503680 /nfs/dbraw/zinc/50/36/80/1069503680.db2.gz ZOPCXHPOUGSTAQ-ROFCUKKFSA-N 2 1 488.566 -0.157 20 0 JBADMP CC1=C(C(=O)OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218085001 1069503786 /nfs/dbraw/zinc/50/37/86/1069503786.db2.gz ZOPCXHPOUGSTAQ-CEJICZLWSA-N 2 1 488.566 -0.157 20 0 JBADMP CC1=C(C(=O)O[C@@H]2C[C@H]3C[NH2+]CCN3C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218107111 1069504112 /nfs/dbraw/zinc/50/41/12/1069504112.db2.gz ISVLCKWOLDDTAP-CRAPNWAWSA-N 2 1 487.582 -0.345 20 0 JBADMP CC1=C(C(=O)O[C@@H]2CN3C[C@H]2[NH2+]CC3)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218112016 1069504145 /nfs/dbraw/zinc/50/41/45/1069504145.db2.gz ZFQBENHHWYWRTE-WUKWMOGPSA-N 2 1 473.555 -0.735 20 0 JBADMP CC1=C(C(=O)OC[C@H]2C[NH2+]CCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218179543 1069504548 /nfs/dbraw/zinc/50/45/48/1069504548.db2.gz XFFMCAYFULEDOP-AXHMDWHKSA-N 2 1 462.528 -0.403 20 0 JBADMP CC1=C(C(=O)OC[C@@H]2C[NH2+]CCCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218301212 1069505523 /nfs/dbraw/zinc/50/55/23/1069505523.db2.gz ZWDPDVKGNZKYOK-BIZBXSGISA-N 2 1 476.555 -0.012 20 0 JBADMP CC1=C(C(=O)OC[C@H]2C[NH2+]CCCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218301213 1069505399 /nfs/dbraw/zinc/50/53/99/1069505399.db2.gz ZWDPDVKGNZKYOK-BZLDKRAPSA-N 2 1 476.555 -0.012 20 0 JBADMP CC1=C(C(=O)OCCO[C@H]2CC[NH2+]C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218387281 1069506590 /nfs/dbraw/zinc/50/65/90/1069506590.db2.gz LDAKYKWGTAIRLD-BIZBXSGISA-N 2 1 476.555 -0.012 20 0 JBADMP CC1=C(C(=O)OCCO[C@@H]2CC[NH2+]C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218387282 1069506539 /nfs/dbraw/zinc/50/65/39/1069506539.db2.gz LDAKYKWGTAIRLD-BZLDKRAPSA-N 2 1 476.555 -0.012 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccnc1N1CC[NH+](C)CC1)C(=O)CF ZINC001218554063 1069509144 /nfs/dbraw/zinc/50/91/44/1069509144.db2.gz AHZNXMKWYAYJHY-KNBMTAEXSA-N 2 1 493.584 -0.327 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218571942 1069508898 /nfs/dbraw/zinc/50/88/98/1069508898.db2.gz CWMNDUPLPPILQX-IRXDYDNUSA-N 2 1 460.583 -0.434 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1)C(=O)CF ZINC001218572251 1069508919 /nfs/dbraw/zinc/50/89/19/1069508919.db2.gz HJJPBEZYQVWUFM-AVYPCKFXSA-N 2 1 494.572 -0.932 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218573420 1069508864 /nfs/dbraw/zinc/50/88/64/1069508864.db2.gz WXCCGFFHIOYXGA-CVDCTZTESA-N 2 1 496.616 -0.006 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579603 1069508772 /nfs/dbraw/zinc/50/87/72/1069508772.db2.gz GSAKEQWFUUGTBN-UNMCSNQZSA-N 2 1 496.616 -0.006 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)CF ZINC001218580427 1069508798 /nfs/dbraw/zinc/50/87/98/1069508798.db2.gz QSJKWVBDXPBDLF-QOKNQOGYSA-N 2 1 494.572 -0.932 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218580437 1069508945 /nfs/dbraw/zinc/50/89/45/1069508945.db2.gz QZENVNNIPRPFHR-ROUUACIJSA-N 2 1 460.583 -0.434 20 0 JBADMP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218703496 1069517492 /nfs/dbraw/zinc/51/74/92/1069517492.db2.gz DQPISENPNVEACF-INIZCTEOSA-N 2 1 452.519 -0.377 20 0 JBADMP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218703496 1069517481 /nfs/dbraw/zinc/51/74/81/1069517481.db2.gz DQPISENPNVEACF-INIZCTEOSA-N 2 1 452.519 -0.377 20 0 JBADMP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218703498 1069517382 /nfs/dbraw/zinc/51/73/82/1069517382.db2.gz DQPISENPNVEACF-MRXNPFEDSA-N 2 1 452.519 -0.377 20 0 JBADMP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218703498 1069517374 /nfs/dbraw/zinc/51/73/74/1069517374.db2.gz DQPISENPNVEACF-MRXNPFEDSA-N 2 1 452.519 -0.377 20 0 JBADMP [NH3+]CCC[NH2+]CC(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218754879 1069520118 /nfs/dbraw/zinc/52/01/18/1069520118.db2.gz XIVPTOSRBHJLJP-NTZNESFSSA-N 2 1 490.302 -0.447 20 0 JBADMP CN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775200 1069520922 /nfs/dbraw/zinc/52/09/22/1069520922.db2.gz AOQVVMVSHAUMBA-QLFBSQMISA-N 2 1 453.975 -0.917 20 0 JBADMP C[N@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775200 1069520910 /nfs/dbraw/zinc/52/09/10/1069520910.db2.gz AOQVVMVSHAUMBA-QLFBSQMISA-N 3 1 453.975 -0.917 20 0 JBADMP CN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775205 1069520672 /nfs/dbraw/zinc/52/06/72/1069520672.db2.gz AOQVVMVSHAUMBA-RBSFLKMASA-N 2 1 453.975 -0.917 20 0 JBADMP C[N@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775205 1069520660 /nfs/dbraw/zinc/52/06/60/1069520660.db2.gz AOQVVMVSHAUMBA-RBSFLKMASA-N 3 1 453.975 -0.917 20 0 JBADMP CN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775207 1069520892 /nfs/dbraw/zinc/52/08/92/1069520892.db2.gz AOQVVMVSHAUMBA-RRFJBIMHSA-N 2 1 453.975 -0.917 20 0 JBADMP C[N@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775207 1069520882 /nfs/dbraw/zinc/52/08/82/1069520882.db2.gz AOQVVMVSHAUMBA-RRFJBIMHSA-N 3 1 453.975 -0.917 20 0 JBADMP CN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775208 1069520636 /nfs/dbraw/zinc/52/06/36/1069520636.db2.gz AOQVVMVSHAUMBA-SOUVJXGZSA-N 2 1 453.975 -0.917 20 0 JBADMP C[N@H+]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)OC2(CC[NH2+]CC2)C1 ZINC001218775208 1069520629 /nfs/dbraw/zinc/52/06/29/1069520629.db2.gz AOQVVMVSHAUMBA-SOUVJXGZSA-N 3 1 453.975 -0.917 20 0 JBADMP C[NH+]1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218784709 1069522860 /nfs/dbraw/zinc/52/28/60/1069522860.db2.gz FNIIXFQVSNSEMD-PBHICJAKSA-N 2 1 460.970 -0.175 20 0 JBADMP C[NH+]1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218784711 1069522924 /nfs/dbraw/zinc/52/29/24/1069522924.db2.gz FNIIXFQVSNSEMD-RHSMWYFYSA-N 2 1 460.970 -0.175 20 0 JBADMP C[NH+]1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218784713 1069522888 /nfs/dbraw/zinc/52/28/88/1069522888.db2.gz FNIIXFQVSNSEMD-WMLDXEAASA-N 2 1 460.970 -0.175 20 0 JBADMP C[NH+]1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218784714 1069522868 /nfs/dbraw/zinc/52/28/68/1069522868.db2.gz FNIIXFQVSNSEMD-YOEHRIQHSA-N 2 1 460.970 -0.175 20 0 JBADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218848613 1069525493 /nfs/dbraw/zinc/52/54/93/1069525493.db2.gz PALKCVODWYAIHF-UHFFFAOYSA-N 2 1 452.515 -0.552 20 0 JBADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218848613 1069525486 /nfs/dbraw/zinc/52/54/86/1069525486.db2.gz PALKCVODWYAIHF-UHFFFAOYSA-N 2 1 452.515 -0.552 20 0 JBADMP C[N@H+]1C[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)OC2(CC[NH2+]CC2)C1 ZINC001218878970 1069528264 /nfs/dbraw/zinc/52/82/64/1069528264.db2.gz KMGYIYDTRUMNHB-GFCCVEGCSA-N 2 1 481.984 -0.974 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)OC2(CC[NH2+]CC2)C1 ZINC001218878971 1069528353 /nfs/dbraw/zinc/52/83/53/1069528353.db2.gz KMGYIYDTRUMNHB-LBPRGKRZSA-N 2 1 481.984 -0.974 20 0 JBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)cc1 ZINC001218986266 1069531785 /nfs/dbraw/zinc/53/17/85/1069531785.db2.gz BOAALAZLYBQZOD-IBGZPJMESA-N 2 1 467.578 -0.227 20 0 JBADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)cc1 ZINC001218986267 1069531901 /nfs/dbraw/zinc/53/19/01/1069531901.db2.gz BOAALAZLYBQZOD-LJQANCHMSA-N 2 1 467.578 -0.227 20 0 JBADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218989721 1069531927 /nfs/dbraw/zinc/53/19/27/1069531927.db2.gz XHFNATDGCWEZPE-PXNSSMCTSA-N 2 1 487.605 -0.710 20 0 JBADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](O)C[NH3+])cc1OC ZINC001219018988 1069531816 /nfs/dbraw/zinc/53/18/16/1069531816.db2.gz OMPJEHAKPSWANK-BBRMVZONSA-N 2 1 456.565 -0.039 20 0 JBADMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](O)C[NH3+])cc1OC ZINC001219018988 1069531813 /nfs/dbraw/zinc/53/18/13/1069531813.db2.gz OMPJEHAKPSWANK-BBRMVZONSA-N 2 1 456.565 -0.039 20 0 JBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](O)C[NH3+])cc1OC ZINC001219018989 1069531617 /nfs/dbraw/zinc/53/16/17/1069531617.db2.gz OMPJEHAKPSWANK-CJNGLKHVSA-N 2 1 456.565 -0.039 20 0 JBADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](O)C[NH3+])cc1OC ZINC001219018989 1069531605 /nfs/dbraw/zinc/53/16/05/1069531605.db2.gz OMPJEHAKPSWANK-CJNGLKHVSA-N 2 1 456.565 -0.039 20 0 JBADMP COc1ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc1OCCC[NH+]1CCN(C)CC1 ZINC001219314249 1069534208 /nfs/dbraw/zinc/53/42/08/1069534208.db2.gz BYEVKUBCQVGAOO-FUHWJXTLSA-N 2 1 478.594 -0.253 20 0 JBADMP COc1ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc1OCCC[NH+]1CCN(C)CC1 ZINC001219314481 1069533918 /nfs/dbraw/zinc/53/39/18/1069533918.db2.gz JZOFPPKTLRJVRZ-UHFFFAOYSA-N 2 1 457.597 -0.130 20 0 JBADMP COc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc1OCCC[NH+]1CCN(C)CC1 ZINC001219314774 1069534175 /nfs/dbraw/zinc/53/41/75/1069534175.db2.gz NGDTWHPXGGCUHF-RDJZCZTQSA-N 2 1 464.567 -0.643 20 0 JBADMP Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219470011 1069534773 /nfs/dbraw/zinc/53/47/73/1069534773.db2.gz PDVGYZJDMUEJND-HNNXBMFYSA-N 2 1 453.956 -0.201 20 0 JBADMP Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219470012 1069534873 /nfs/dbraw/zinc/53/48/73/1069534873.db2.gz PDVGYZJDMUEJND-OAHLLOKOSA-N 2 1 453.956 -0.201 20 0 JBADMP [NH3+][C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676481 1069536516 /nfs/dbraw/zinc/53/65/16/1069536516.db2.gz LZEQVXFHGVNPOO-IBGZPJMESA-N 2 1 450.565 -0.722 20 0 JBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H](c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC001219678145 1069537013 /nfs/dbraw/zinc/53/70/13/1069537013.db2.gz FJNGRBSASUHHBD-KRWDZBQOSA-N 2 1 474.425 -0.253 20 0 JBADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H](c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC001219678146 1069537075 /nfs/dbraw/zinc/53/70/75/1069537075.db2.gz FJNGRBSASUHHBD-QGZVFWFLSA-N 2 1 474.425 -0.253 20 0 JBADMP CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678419 1069537158 /nfs/dbraw/zinc/53/71/58/1069537158.db2.gz NVIQBJMHRLHTFR-GOSISDBHSA-N 2 1 464.592 -0.716 20 0 JBADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678445 1069537184 /nfs/dbraw/zinc/53/71/84/1069537184.db2.gz OMTUYTOHOGONDU-OALUTQOASA-N 2 1 469.608 -0.856 20 0 JBADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678446 1069537106 /nfs/dbraw/zinc/53/71/06/1069537106.db2.gz OMTXRSZRVUPYMO-NDXORKPFSA-N 2 1 492.646 -0.080 20 0 JBADMP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678487 1069537221 /nfs/dbraw/zinc/53/72/21/1069537221.db2.gz PYRBRJYNISWMCY-AWEZNQCLSA-N 2 1 466.345 -0.488 20 0 JBADMP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219678497 1069537121 /nfs/dbraw/zinc/53/71/21/1069537121.db2.gz QRUGULOSMGBKMA-SFHVURJKSA-N 2 1 475.637 -0.878 20 0 JBADMP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678608 1069537059 /nfs/dbraw/zinc/53/70/59/1069537059.db2.gz WCLBOHARRSXKET-ROUUACIJSA-N 2 1 471.649 -0.855 20 0 JBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C(N)=O ZINC001219729385 1069538363 /nfs/dbraw/zinc/53/83/63/1069538363.db2.gz UZUIHVSWMJOACF-DFQSSKMNSA-N 3 1 458.607 -0.298 20 0 JBADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C(N)=O ZINC001219729386 1069538507 /nfs/dbraw/zinc/53/85/07/1069538507.db2.gz UZUIHVSWMJOACF-YSIASYRMSA-N 3 1 458.607 -0.298 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765982 1069538936 /nfs/dbraw/zinc/53/89/36/1069538936.db2.gz KCNJIZNKAWWOHI-AQCRLBJHSA-N 2 1 458.607 -0.777 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765982 1069538928 /nfs/dbraw/zinc/53/89/28/1069538928.db2.gz KCNJIZNKAWWOHI-AQCRLBJHSA-N 2 1 458.607 -0.777 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796425 1069539583 /nfs/dbraw/zinc/53/95/83/1069539583.db2.gz ZKVROONAWXZBRD-PMACEKPBSA-N 2 1 450.628 -0.282 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807732 1069540209 /nfs/dbraw/zinc/54/02/09/1069540209.db2.gz MCMKIPWRWFHGIB-CVDCTZTESA-N 2 1 497.600 -0.820 20 0 JBADMP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807986 1069540258 /nfs/dbraw/zinc/54/02/58/1069540258.db2.gz SDMCCRQJAJHBTF-GJZGRUSLSA-N 2 1 456.638 -0.329 20 0 JBADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808167 1069540278 /nfs/dbraw/zinc/54/02/78/1069540278.db2.gz WBOBKYAYQJRWSB-SZMVWBNQSA-N 2 1 475.594 -0.778 20 0 JBADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001219809715 1069540149 /nfs/dbraw/zinc/54/01/49/1069540149.db2.gz RITXOOQMLHPRMA-UHFFFAOYSA-N 2 1 460.560 -0.303 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)C3([NH3+])COC3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012744 1069545589 /nfs/dbraw/zinc/54/55/89/1069545589.db2.gz BKDQKMZAEVXSLS-RTBURBONSA-N 2 1 467.530 -0.361 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)[C@@H]([NH3+])CC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012860 1069545556 /nfs/dbraw/zinc/54/55/56/1069545556.db2.gz CZJRUENZODOJLW-HSALFYBXSA-N 3 1 468.562 -0.413 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012899 1069545371 /nfs/dbraw/zinc/54/53/71/1069545371.db2.gz DQNIFGXJRNQTSB-NASSWSRMSA-N 2 1 480.573 -0.400 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012900 1069545417 /nfs/dbraw/zinc/54/54/17/1069545417.db2.gz DQNIFGXJRNQTSB-RZXSNQJFSA-N 2 1 480.573 -0.400 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)[C@@H]3COCC[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012936 1069546094 /nfs/dbraw/zinc/54/60/94/1069546094.db2.gz DYNJDWKXVGJEFV-QHAWAJNXSA-N 2 1 481.557 -0.101 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)CNCCC[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013051 1069546078 /nfs/dbraw/zinc/54/60/78/1069546078.db2.gz HAMGBHPUGREQLV-NHCUHLMSSA-N 2 1 482.589 -0.151 20 0 JBADMP COc1cccc(N=c2ncn(C(=O)[C@@H]3COC[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013378 1069546542 /nfs/dbraw/zinc/54/65/42/1069546542.db2.gz TYNZBINRTGYPAZ-HSALFYBXSA-N 2 1 467.530 -0.143 20 0 JBADMP COc1cc(N(C(=O)CNC(=O)C[NH3+])S(C)(=O)=O)c(Oc2ccccc2)cc1C(=O)C[NH3+] ZINC001220086208 1069547683 /nfs/dbraw/zinc/54/76/83/1069547683.db2.gz CTLKYJGEXGLWPE-UHFFFAOYSA-N 2 1 464.500 -0.004 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C(N)=[NH2+])c1ccccc1F)C(=O)CF ZINC001220106146 1069548434 /nfs/dbraw/zinc/54/84/34/1069548434.db2.gz CGAFBBMIJZKJNV-BNLOLNQZSA-N 2 1 454.478 -0.046 20 0 JBADMP COC(=O)[C@]1(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001220228307 1069553669 /nfs/dbraw/zinc/55/36/69/1069553669.db2.gz IEQICSPKLBGCFZ-CEXJFXJFSA-N 2 1 459.547 -0.625 20 0 JBADMP COC(=O)[C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001220228308 1069553528 /nfs/dbraw/zinc/55/35/28/1069553528.db2.gz IEQICSPKLBGCFZ-TXBYWVTISA-N 2 1 459.547 -0.625 20 0 JBADMP COC(=O)[C@@]1(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228401 1069553750 /nfs/dbraw/zinc/55/37/50/1069553750.db2.gz LZWBTEJVGVLQLG-STWLZBDKSA-N 2 1 484.553 -0.327 20 0 JBADMP COC(=O)[C@]1(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228402 1069553854 /nfs/dbraw/zinc/55/38/54/1069553854.db2.gz LZWBTEJVGVLQLG-WATLYSKOSA-N 2 1 484.553 -0.327 20 0 JBADMP CCOC(=O)[C@H](NC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283028 1069554271 /nfs/dbraw/zinc/55/42/71/1069554271.db2.gz QXVLXIQEPHQLOO-OTWHNJEPSA-N 2 1 483.587 -0.376 20 0 JBADMP CCOC(=O)[C@H](NC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283031 1069554240 /nfs/dbraw/zinc/55/42/40/1069554240.db2.gz QXVLXIQEPHQLOO-QRVBRYPASA-N 2 1 483.587 -0.376 20 0 JBADMP CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C1)C2 ZINC001220433591 1069556083 /nfs/dbraw/zinc/55/60/83/1069556083.db2.gz COGUMUMXGVXCKD-QBMUGXQSSA-N 2 1 498.556 -0.024 20 0 JBADMP C[N@H+]1C[C@@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001220433882 1069556637 /nfs/dbraw/zinc/55/66/37/1069556637.db2.gz MDAGSONTKLNXGA-IBGZPJMESA-N 2 1 452.577 -0.224 20 0 JBADMP C[N@H+]1C[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)OC2(CC[NH2+]CC2)C1 ZINC001220433883 1069556738 /nfs/dbraw/zinc/55/67/38/1069556738.db2.gz MDAGSONTKLNXGA-LJQANCHMSA-N 2 1 452.577 -0.224 20 0 JBADMP CC(=O)NCSC[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505500 1069558164 /nfs/dbraw/zinc/55/81/64/1069558164.db2.gz DHSGSRDQFZDNLH-LAIMCUOGSA-N 2 1 463.645 -0.564 20 0 JBADMP CC(=O)NCSC[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505501 1069557852 /nfs/dbraw/zinc/55/78/52/1069557852.db2.gz DHSGSRDQFZDNLH-QQPKDZIPSA-N 2 1 463.645 -0.564 20 0 JBADMP CC(=O)NCSC[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505502 1069558001 /nfs/dbraw/zinc/55/80/01/1069558001.db2.gz DHSGSRDQFZDNLH-RKYZWWOHSA-N 2 1 463.645 -0.564 20 0 JBADMP CC(=O)NCSC[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220505503 1069558251 /nfs/dbraw/zinc/55/82/51/1069558251.db2.gz DHSGSRDQFZDNLH-ZRLASGMHSA-N 2 1 463.645 -0.564 20 0 JBADMP CC(C)C[C@H](NC(=O)CN)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220506184 1069559416 /nfs/dbraw/zinc/55/94/16/1069559416.db2.gz LGYULTDODQMIOJ-GAKQYBQZSA-N 2 1 459.632 -0.228 20 0 JBADMP CC(C)C[C@H](NC(=O)CN)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220506185 1069559252 /nfs/dbraw/zinc/55/92/52/1069559252.db2.gz LGYULTDODQMIOJ-MNIZTNQSSA-N 2 1 459.632 -0.228 20 0 JBADMP CC(C)C[C@H](NC(=O)CN)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220506186 1069559334 /nfs/dbraw/zinc/55/93/34/1069559334.db2.gz LGYULTDODQMIOJ-ODGNUVPMSA-N 2 1 459.632 -0.228 20 0 JBADMP CC(C)C[C@H](NC(=O)CN)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220506187 1069559487 /nfs/dbraw/zinc/55/94/87/1069559487.db2.gz LGYULTDODQMIOJ-TWTKXFDXSA-N 2 1 459.632 -0.228 20 0 JBADMP CN1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220506849 1069559215 /nfs/dbraw/zinc/55/92/15/1069559215.db2.gz QAUQJCREWSKPPR-AJNMRTHUSA-N 3 1 485.670 -0.265 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220506849 1069559206 /nfs/dbraw/zinc/55/92/06/1069559206.db2.gz QAUQJCREWSKPPR-AJNMRTHUSA-N 4 1 485.670 -0.265 20 0 JBADMP CN1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220506850 1069559281 /nfs/dbraw/zinc/55/92/81/1069559281.db2.gz QAUQJCREWSKPPR-LGJWIRAMSA-N 3 1 485.670 -0.265 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506850 1069559272 /nfs/dbraw/zinc/55/92/72/1069559272.db2.gz QAUQJCREWSKPPR-LGJWIRAMSA-N 4 1 485.670 -0.265 20 0 JBADMP CN1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220506851 1069559400 /nfs/dbraw/zinc/55/94/00/1069559400.db2.gz QAUQJCREWSKPPR-PJPUYHCJSA-N 3 1 485.670 -0.265 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506851 1069559397 /nfs/dbraw/zinc/55/93/97/1069559397.db2.gz QAUQJCREWSKPPR-PJPUYHCJSA-N 4 1 485.670 -0.265 20 0 JBADMP CN1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220506852 1069559476 /nfs/dbraw/zinc/55/94/76/1069559476.db2.gz QAUQJCREWSKPPR-YKEHVAMYSA-N 3 1 485.670 -0.265 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220506852 1069559473 /nfs/dbraw/zinc/55/94/73/1069559473.db2.gz QAUQJCREWSKPPR-YKEHVAMYSA-N 4 1 485.670 -0.265 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)CN)[C@@H](O)OC(C)(C)C)C1 ZINC001220507085 1069559297 /nfs/dbraw/zinc/55/92/97/1069559297.db2.gz RYTLUTOCLOOHGO-AQBXFBKCSA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)CN)[C@H](O)OC(C)(C)C)C1 ZINC001220507086 1069559360 /nfs/dbraw/zinc/55/93/60/1069559360.db2.gz RYTLUTOCLOOHGO-IWFXODMXSA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)CN)[C@@H](O)OC(C)(C)C)C1 ZINC001220507087 1069559466 /nfs/dbraw/zinc/55/94/66/1069559466.db2.gz RYTLUTOCLOOHGO-JJONQWDWSA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](Cc2ccccc2)NC(=O)CN)[C@H](O)OC(C)(C)C)C1 ZINC001220507088 1069560157 /nfs/dbraw/zinc/56/01/57/1069560157.db2.gz RYTLUTOCLOOHGO-WHIGNPOQSA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220507089 1069559934 /nfs/dbraw/zinc/55/99/34/1069559934.db2.gz SCKIIQJQTJYIBX-HDYQLAKYSA-N 4 1 458.648 -0.968 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220507090 1069560016 /nfs/dbraw/zinc/56/00/16/1069560016.db2.gz SCKIIQJQTJYIBX-OUCQQMGCSA-N 4 1 458.648 -0.968 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507091 1069560140 /nfs/dbraw/zinc/56/01/40/1069560140.db2.gz SCKIIQJQTJYIBX-RRUHPTRMSA-N 4 1 458.648 -0.968 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507092 1069560072 /nfs/dbraw/zinc/56/00/72/1069560072.db2.gz SCKIIQJQTJYIBX-YWPUWRHISA-N 4 1 458.648 -0.968 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507154 1069560089 /nfs/dbraw/zinc/56/00/89/1069560089.db2.gz SZRNWLTUBUVTNY-AHHYDGQUSA-N 2 1 479.622 -0.049 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507155 1069560039 /nfs/dbraw/zinc/56/00/39/1069560039.db2.gz SZRNWLTUBUVTNY-ASBHLXATSA-N 2 1 479.622 -0.049 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507156 1069559904 /nfs/dbraw/zinc/55/99/04/1069559904.db2.gz SZRNWLTUBUVTNY-JNJLEGMLSA-N 2 1 479.622 -0.049 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507157 1069560051 /nfs/dbraw/zinc/56/00/51/1069560051.db2.gz SZRNWLTUBUVTNY-JUMAYRDLSA-N 2 1 479.622 -0.049 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@@H](O)OC(C)(C)C)C1 ZINC001220507239 1069560109 /nfs/dbraw/zinc/56/01/09/1069560109.db2.gz UQJSQMAXPOGWBM-KZVLABISSA-N 2 1 489.658 -0.459 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@@H](O)OC(C)(C)C)C1 ZINC001220507240 1069560059 /nfs/dbraw/zinc/56/00/59/1069560059.db2.gz UQJSQMAXPOGWBM-MXXNAXEESA-N 2 1 489.658 -0.459 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@H](O)OC(C)(C)C)C1 ZINC001220507241 1069559828 /nfs/dbraw/zinc/55/98/28/1069559828.db2.gz UQJSQMAXPOGWBM-NQDKFLQJSA-N 2 1 489.658 -0.459 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@H](O)OC(C)(C)C)C1 ZINC001220507242 1069559986 /nfs/dbraw/zinc/55/99/86/1069559986.db2.gz UQJSQMAXPOGWBM-OPLYSGQSSA-N 2 1 489.658 -0.459 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507500 1069560635 /nfs/dbraw/zinc/56/06/35/1069560635.db2.gz ZBJKBJOIKOOXMQ-GJRSHGQJSA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507501 1069560770 /nfs/dbraw/zinc/56/07/70/1069560770.db2.gz ZBJKBJOIKOOXMQ-IGJOJHROSA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507502 1069560691 /nfs/dbraw/zinc/56/06/91/1069560691.db2.gz ZBJKBJOIKOOXMQ-KHTMQFLISA-N 2 1 493.649 -0.032 20 0 JBADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001220507503 1069560538 /nfs/dbraw/zinc/56/05/38/1069560538.db2.gz ZBJKBJOIKOOXMQ-KNNWPQOTSA-N 2 1 493.649 -0.032 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c2nonc21 ZINC001220747914 1069567148 /nfs/dbraw/zinc/56/71/48/1069567148.db2.gz BXJZJZIAMZOUNM-CYBMUJFWSA-N 2 1 451.553 -0.361 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c2nonc21 ZINC001220747915 1069567029 /nfs/dbraw/zinc/56/70/29/1069567029.db2.gz BXJZJZIAMZOUNM-ZDUSSCGKSA-N 2 1 451.553 -0.361 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@H+](C(C)(C)C)CCN2)c2nonc21 ZINC001220748778 1069567542 /nfs/dbraw/zinc/56/75/42/1069567542.db2.gz MMFHTBJLIWCELH-CYBMUJFWSA-N 2 1 453.569 -0.163 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@H+](C(C)(C)C)CCN2)c2nonc21 ZINC001220748781 1069567742 /nfs/dbraw/zinc/56/77/42/1069567742.db2.gz MMFHTBJLIWCELH-ZDUSSCGKSA-N 2 1 453.569 -0.163 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)c2nonc21 ZINC001220749355 1069568228 /nfs/dbraw/zinc/56/82/28/1069568228.db2.gz RYCFUGTZQGMNHH-HNNXBMFYSA-N 2 1 481.579 -0.782 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c2nonc21 ZINC001220749355 1069568215 /nfs/dbraw/zinc/56/82/15/1069568215.db2.gz RYCFUGTZQGMNHH-HNNXBMFYSA-N 3 1 481.579 -0.782 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)c2nonc21 ZINC001220749356 1069568253 /nfs/dbraw/zinc/56/82/53/1069568253.db2.gz RYCFUGTZQGMNHH-OAHLLOKOSA-N 2 1 481.579 -0.782 20 0 JBADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c2nonc21 ZINC001220749356 1069568246 /nfs/dbraw/zinc/56/82/46/1069568246.db2.gz RYCFUGTZQGMNHH-OAHLLOKOSA-N 3 1 481.579 -0.782 20 0 JBADMP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967219 1069575646 /nfs/dbraw/zinc/57/56/46/1069575646.db2.gz WHLGIWRTIGXPOW-IYWMVGAKSA-N 2 1 469.542 -0.256 20 0 JBADMP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967219 1069575640 /nfs/dbraw/zinc/57/56/40/1069575640.db2.gz WHLGIWRTIGXPOW-IYWMVGAKSA-N 2 1 469.542 -0.256 20 0 JBADMP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967220 1069575753 /nfs/dbraw/zinc/57/57/53/1069575753.db2.gz WHLGIWRTIGXPOW-VNTMZGSJSA-N 2 1 469.542 -0.256 20 0 JBADMP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967220 1069575748 /nfs/dbraw/zinc/57/57/48/1069575748.db2.gz WHLGIWRTIGXPOW-VNTMZGSJSA-N 2 1 469.542 -0.256 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)C(=O)CF ZINC001221056436 1069576973 /nfs/dbraw/zinc/57/69/73/1069576973.db2.gz SDLPFZZGDXCERH-SOADLSRISA-N 2 1 485.601 -0.353 20 0 JBADMP CCC(CC)[C@@H](NC(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070116 1069577747 /nfs/dbraw/zinc/57/77/47/1069577747.db2.gz GFRRKUMXNGAFTG-RFVXBFLTSA-N 2 1 454.612 -0.143 20 0 JBADMP CCC(CC)[C@@H](NC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070116 1069577733 /nfs/dbraw/zinc/57/77/33/1069577733.db2.gz GFRRKUMXNGAFTG-RFVXBFLTSA-N 3 1 454.612 -0.143 20 0 JBADMP CCC(CC)[C@@H](NC(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070117 1069577976 /nfs/dbraw/zinc/57/79/76/1069577976.db2.gz GFRRKUMXNGAFTG-XYWBXWKWSA-N 2 1 454.612 -0.143 20 0 JBADMP CCC(CC)[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070117 1069577972 /nfs/dbraw/zinc/57/79/72/1069577972.db2.gz GFRRKUMXNGAFTG-XYWBXWKWSA-N 3 1 454.612 -0.143 20 0 JBADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148623 1069578954 /nfs/dbraw/zinc/57/89/54/1069578954.db2.gz IRYDHADTVBRWLZ-OALUTQOASA-N 2 1 466.608 -0.620 20 0 JBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](Cc3ccccc3I)C[NH2+]2)[C@@H]2NCN[C@H]21 ZINC001221265264 1069585040 /nfs/dbraw/zinc/58/50/40/1069585040.db2.gz IYNBFNMBPRMFAF-AFJPYQPYSA-N 2 1 456.332 -0.669 20 0 JBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](Cc3ccccc3I)C[NH2+]2)[C@H]2NCN[C@H]21 ZINC001221265265 1069585280 /nfs/dbraw/zinc/58/52/80/1069585280.db2.gz IYNBFNMBPRMFAF-NVAJDRRBSA-N 2 1 456.332 -0.669 20 0 JBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](Cc3ccccc3I)C[NH2+]2)[C@H]2NCN[C@@H]21 ZINC001221265266 1069585409 /nfs/dbraw/zinc/58/54/09/1069585409.db2.gz IYNBFNMBPRMFAF-RNPDWPAJSA-N 2 1 456.332 -0.669 20 0 JBADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](Cc3ccccc3I)C[NH2+]2)[C@@H]2NCN[C@@H]21 ZINC001221265267 1069585169 /nfs/dbraw/zinc/58/51/69/1069585169.db2.gz IYNBFNMBPRMFAF-XNNBJJOUSA-N 2 1 456.332 -0.669 20 0 JBADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221340074 1069586073 /nfs/dbraw/zinc/58/60/73/1069586073.db2.gz CMQJNLUKGWMKSH-HNNXBMFYSA-N 2 1 458.610 -0.504 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1coc2c1C[NH2+]C2)C(N)=O ZINC001221350906 1069588728 /nfs/dbraw/zinc/58/87/28/1069588728.db2.gz AXEHBWFRBFHGLQ-LNLFQRSKSA-N 2 1 476.578 -0.273 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cnc(C[NH3+])s1)C(N)=O ZINC001221351622 1069590492 /nfs/dbraw/zinc/59/04/92/1069590492.db2.gz JVDOMYXIPBMSNM-ZQIUZPCESA-N 2 1 481.623 -0.554 20 0 JBADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221352095 1069591814 /nfs/dbraw/zinc/59/18/14/1069591814.db2.gz PGGXLBDTQDYMGQ-ROUUACIJSA-N 2 1 466.498 -0.179 20 0 JBADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221352096 1069591710 /nfs/dbraw/zinc/59/17/10/1069591710.db2.gz PGGXLBDTQDYMGQ-ZWKOTPCHSA-N 2 1 466.498 -0.179 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1cccnc1)C(N)=O ZINC001221352157 1069592348 /nfs/dbraw/zinc/59/23/48/1069592348.db2.gz ROXMGLLQMBLHOL-OKYOBFRVSA-N 2 1 475.594 -0.688 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1cccnc1)C(N)=O ZINC001221352158 1069592241 /nfs/dbraw/zinc/59/22/41/1069592241.db2.gz ROXMGLLQMBLHOL-VJANTYMQSA-N 2 1 475.594 -0.688 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1)C(N)=O ZINC001221352417 1069592382 /nfs/dbraw/zinc/59/23/82/1069592382.db2.gz UOJBJFOAJAFDGO-HAGHYFMRSA-N 2 1 474.606 -0.083 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1)C(N)=O ZINC001221352422 1069592519 /nfs/dbraw/zinc/59/25/19/1069592519.db2.gz UOJBJFOAJAFDGO-MUGJNUQGSA-N 2 1 474.606 -0.083 20 0 JBADMP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001230073576 1069613466 /nfs/dbraw/zinc/61/34/66/1069613466.db2.gz MKFPFSLWMZQEJX-NRFANRHFSA-N 2 1 452.644 -0.121 20 0 JBADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)(N2CCOCC2)CC1 ZINC001230073585 1069613500 /nfs/dbraw/zinc/61/35/00/1069613500.db2.gz MKFPFSLWMZQEJX-OAQYLSRUSA-N 2 1 452.644 -0.121 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3cnc4n3CC[NH2+]CC4)CC[C@@H]12 ZINC001235495764 1069620095 /nfs/dbraw/zinc/62/00/95/1069620095.db2.gz ZJZJLCQTZZAPDE-KNQAVFIVSA-N 2 1 480.635 -0.496 20 0 JBADMP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2cnc4n2CC[NH2+]CC4)CC3)C1=O ZINC001235525124 1069620356 /nfs/dbraw/zinc/62/03/56/1069620356.db2.gz FBNUINYJFLOWQL-NRFANRHFSA-N 2 1 450.609 -0.265 20 0 JBADMP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2cnc4n2CC[NH2+]CC4)CC3)C1=O ZINC001235525128 1069620049 /nfs/dbraw/zinc/62/00/49/1069620049.db2.gz FBNUINYJFLOWQL-OAQYLSRUSA-N 2 1 450.609 -0.265 20 0 JBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](Cc1cccc(C(=O)NCC[NH3+])c1)C2 ZINC001235546333 1069621058 /nfs/dbraw/zinc/62/10/58/1069621058.db2.gz IAFKKOXPHAHCPU-HSZRJFAPSA-N 2 1 453.547 -0.052 20 0 JBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1cccc(C(=O)NCC[NH3+])c1)C2 ZINC001235546333 1069621054 /nfs/dbraw/zinc/62/10/54/1069621054.db2.gz IAFKKOXPHAHCPU-HSZRJFAPSA-N 2 1 453.547 -0.052 20 0 JBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](Cc1cccc(C(=O)NCC[NH3+])c1)C2 ZINC001235546336 1069621180 /nfs/dbraw/zinc/62/11/80/1069621180.db2.gz IAFKKOXPHAHCPU-QHCPKHFHSA-N 2 1 453.547 -0.052 20 0 JBADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](Cc1cccc(C(=O)NCC[NH3+])c1)C2 ZINC001235546336 1069621177 /nfs/dbraw/zinc/62/11/77/1069621177.db2.gz IAFKKOXPHAHCPU-QHCPKHFHSA-N 2 1 453.547 -0.052 20 0 JBADMP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)CC[C@H]2S1(=O)=O ZINC001235625056 1069621017 /nfs/dbraw/zinc/62/10/17/1069621017.db2.gz OEJGRLFJGSCGDP-RTBURBONSA-N 2 1 450.609 -0.195 20 0 JBADMP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](Cc3cccc(C(=O)NCC[NH3+])c3)CC[C@H]2S1(=O)=O ZINC001235626939 1069621153 /nfs/dbraw/zinc/62/11/53/1069621153.db2.gz ZHZNNXRNZZPYBD-RTBURBONSA-N 2 1 451.593 -0.311 20 0 JBADMP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C[C@@H]1C[NH2+]CCO1)N1CCC(F)(F)C1 ZINC001236158355 1069622032 /nfs/dbraw/zinc/62/20/32/1069622032.db2.gz OJMWLOFQPRDTEG-FHWLQOOXSA-N 2 1 465.549 -0.103 20 0 JBADMP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C[C@H]1C[NH2+]CCO1)N1CCC(F)(F)C1 ZINC001236158406 1069622050 /nfs/dbraw/zinc/62/20/50/1069622050.db2.gz OJMWLOFQPRDTEG-OTWHNJEPSA-N 2 1 465.549 -0.103 20 0 JBADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)O1 ZINC001236263770 1069622027 /nfs/dbraw/zinc/62/20/27/1069622027.db2.gz NISVWITUSDFEEI-IECFSIQFSA-N 2 1 462.538 -0.925 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C34C[NH2+]C4)c(Cl)c2)CC1 ZINC001238244513 1069625970 /nfs/dbraw/zinc/62/59/70/1069625970.db2.gz WUYYPHLYGVYRHW-INIZCTEOSA-N 2 1 492.023 -0.073 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)c(Cl)c2)CC1 ZINC001238244515 1069625859 /nfs/dbraw/zinc/62/58/59/1069625859.db2.gz WUYYPHLYGVYRHW-MRXNPFEDSA-N 2 1 492.023 -0.073 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@]34CC[NH2+][C@@H]3CC(=O)N4)c(Cl)c2)CC1 ZINC001238328837 1069625758 /nfs/dbraw/zinc/62/57/58/1069625758.db2.gz IQKUKMOFBKWREL-CRAIPNDOSA-N 2 1 456.956 -0.024 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@]34CC[NH2+][C@H]3CC(=O)N4)c(Cl)c2)CC1 ZINC001238328855 1069625937 /nfs/dbraw/zinc/62/59/37/1069625937.db2.gz IQKUKMOFBKWREL-MAUKXSAKSA-N 2 1 456.956 -0.024 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)c(Cl)c2)CC1 ZINC001238328859 1069625787 /nfs/dbraw/zinc/62/57/87/1069625787.db2.gz IQKUKMOFBKWREL-QAPCUYQASA-N 2 1 456.956 -0.024 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@]34CC[NH2+][C@H]3CC(=O)N4)c(Cl)c2)CC1 ZINC001238328861 1069625804 /nfs/dbraw/zinc/62/58/04/1069625804.db2.gz IQKUKMOFBKWREL-YJBOKZPZSA-N 2 1 456.956 -0.024 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)c(Cl)c2)CC1 ZINC001239003256 1069629559 /nfs/dbraw/zinc/62/95/59/1069629559.db2.gz DKANAYNLALJRGJ-IBGZPJMESA-N 2 1 470.983 -0.028 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)c(Cl)c2)CC1 ZINC001239003263 1069629586 /nfs/dbraw/zinc/62/95/86/1069629586.db2.gz DKANAYNLALJRGJ-LJQANCHMSA-N 2 1 470.983 -0.028 20 0 JBADMP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCNCC[NH2+]CCNCC3)c(Cl)c2)CC1 ZINC001239095435 1069631185 /nfs/dbraw/zinc/63/11/85/1069631185.db2.gz BNFRAGLGBBRIIT-UHFFFAOYSA-N 2 1 488.058 -0.108 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCNC(=S)NCCC[NH+]1CCOCC1 ZINC001239375322 1069633676 /nfs/dbraw/zinc/63/36/76/1069633676.db2.gz FXQQRKKHVYJYDZ-UHFFFAOYSA-N 2 1 466.645 -0.786 20 0 JBADMP O=C([C@@H]1C[C@H](N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001239448446 1069633688 /nfs/dbraw/zinc/63/36/88/1069633688.db2.gz DXNYMVYHKXVPIK-ROUUACIJSA-N 2 1 474.622 -0.201 20 0 JBADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]C[C@]2(O)CCC[NH2+]C2)cc1 ZINC001245995629 1069636906 /nfs/dbraw/zinc/63/69/06/1069636906.db2.gz CXMSMDBAYRLEMC-LNNATVOCSA-N 2 1 474.514 -0.555 20 0 JBADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC001245995634 1069636927 /nfs/dbraw/zinc/63/69/27/1069636927.db2.gz CXMSMDBAYRLEMC-RTGYIXHDSA-N 2 1 474.514 -0.555 20 0 JBADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001245996890 1069636952 /nfs/dbraw/zinc/63/69/52/1069636952.db2.gz HNUAYVXGOHFWTM-HPKPQTJESA-N 2 1 460.487 -0.945 20 0 JBADMP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001245996901 1069636677 /nfs/dbraw/zinc/63/66/77/1069636677.db2.gz HNUAYVXGOHFWTM-PULUJUNMSA-N 2 1 460.487 -0.945 20 0 JBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246030142 1069637702 /nfs/dbraw/zinc/63/77/02/1069637702.db2.gz CNQUBHRMAZDRPE-BKSPAHHJSA-N 2 1 488.633 -0.281 20 0 JBADMP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246030145 1069637642 /nfs/dbraw/zinc/63/76/42/1069637642.db2.gz CNQUBHRMAZDRPE-WATLYSKOSA-N 2 1 488.633 -0.281 20 0 JBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036506 1069638678 /nfs/dbraw/zinc/63/86/78/1069638678.db2.gz CARPREVEBAJYKB-DENIHFKCSA-N 2 1 460.579 -0.278 20 0 JBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036527 1069638668 /nfs/dbraw/zinc/63/86/68/1069638668.db2.gz CARPREVEBAJYKB-KNQAVFIVSA-N 2 1 460.579 -0.278 20 0 JBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036528 1069638542 /nfs/dbraw/zinc/63/85/42/1069638542.db2.gz CARPREVEBAJYKB-SIKLNZKXSA-N 2 1 460.579 -0.278 20 0 JBADMP CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246036530 1069638593 /nfs/dbraw/zinc/63/85/93/1069638593.db2.gz CARPREVEBAJYKB-UGKGYDQZSA-N 2 1 460.579 -0.278 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)CC[C@@H]12 ZINC001246038517 1069638624 /nfs/dbraw/zinc/63/86/24/1069638624.db2.gz RJXOAOMILJTQCO-NXYDZRKXSA-N 2 1 494.658 -0.108 20 0 JBADMP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C[C@@]1(O)CC[NH2+]C1)N1CCC(F)(F)C1 ZINC001246072343 1069639222 /nfs/dbraw/zinc/63/92/22/1069639222.db2.gz VARZBZYSKXNVOY-BBTUJRGHSA-N 2 1 465.549 -0.367 20 0 JBADMP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C[C@]1(O)CC[NH2+]C1)N1CCC(F)(F)C1 ZINC001246072344 1069639238 /nfs/dbraw/zinc/63/92/38/1069639238.db2.gz VARZBZYSKXNVOY-WFXMLNOXSA-N 2 1 465.549 -0.367 20 0 JBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001246133096 1069639374 /nfs/dbraw/zinc/63/93/74/1069639374.db2.gz OCMXHDFZAVLORP-HNNXBMFYSA-N 2 1 456.551 -0.168 20 0 JBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001246133101 1069639444 /nfs/dbraw/zinc/63/94/44/1069639444.db2.gz OCMXHDFZAVLORP-OAHLLOKOSA-N 2 1 456.551 -0.168 20 0 JBADMP COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@@H]1CC[NH2+]C2(CNC2)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001246211482 1069641737 /nfs/dbraw/zinc/64/17/37/1069641737.db2.gz KEXGTFSGUWVEJF-AEFFLSMTSA-N 2 1 466.608 -0.115 20 0 JBADMP COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@H]1CC[NH2+]C2(CNC2)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001246211609 1069641504 /nfs/dbraw/zinc/64/15/04/1069641504.db2.gz KEXGTFSGUWVEJF-WMZOPIPTSA-N 2 1 466.608 -0.115 20 0 JBADMP COC(=O)C1C[C@@H]2CC([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C[C@H](C1)N2 ZINC001246271062 1069644067 /nfs/dbraw/zinc/64/40/67/1069644067.db2.gz DKWGUQNMXAJROB-ZAYGCWILSA-N 2 1 461.600 -0.310 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCNC1CC[NH2+]CC1 ZINC001246284015 1069644595 /nfs/dbraw/zinc/64/45/95/1069644595.db2.gz CFWJMKKNTYLOMQ-UHFFFAOYSA-N 2 1 451.605 -0.597 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246284256 1069644637 /nfs/dbraw/zinc/64/46/37/1069644637.db2.gz CMNOELYUMZRKNL-AIZNXBIQSA-N 2 1 477.643 -0.066 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246284259 1069644567 /nfs/dbraw/zinc/64/45/67/1069644567.db2.gz CMNOELYUMZRKNL-JKHIJQBDSA-N 2 1 477.643 -0.066 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246284260 1069644618 /nfs/dbraw/zinc/64/46/18/1069644618.db2.gz CMNOELYUMZRKNL-NUNAXRQHSA-N 2 1 477.643 -0.066 20 0 JBADMP C[C@H]1C[C@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289868 1069645360 /nfs/dbraw/zinc/64/53/60/1069645360.db2.gz NTZBFAFAWHUSSB-FCHUYYIVSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@@H]1C[C@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289872 1069645333 /nfs/dbraw/zinc/64/53/33/1069645333.db2.gz NTZBFAFAWHUSSB-FGZHOGPDSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@H]1C[C@@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289875 1069645343 /nfs/dbraw/zinc/64/53/43/1069645343.db2.gz NTZBFAFAWHUSSB-VXKWHMMOSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@@H]1C[C@@H](NCCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246289877 1069645284 /nfs/dbraw/zinc/64/52/84/1069645284.db2.gz NTZBFAFAWHUSSB-YADHBBJMSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246289898 1069645377 /nfs/dbraw/zinc/64/53/77/1069645377.db2.gz OCFQJBNAPYIJTM-FCHUYYIVSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246289900 1069645314 /nfs/dbraw/zinc/64/53/14/1069645314.db2.gz OCFQJBNAPYIJTM-FGZHOGPDSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246289901 1069645349 /nfs/dbraw/zinc/64/53/49/1069645349.db2.gz OCFQJBNAPYIJTM-VXKWHMMOSA-N 2 1 465.632 -0.209 20 0 JBADMP C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CN1 ZINC001246289902 1069646243 /nfs/dbraw/zinc/64/62/43/1069646243.db2.gz OCFQJBNAPYIJTM-YADHBBJMSA-N 2 1 465.632 -0.209 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCCNC1 ZINC001246291050 1069646063 /nfs/dbraw/zinc/64/60/63/1069646063.db2.gz QEYRUDUFBXBSBA-NRFANRHFSA-N 2 1 451.605 -0.597 20 0 JBADMP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCCNC1 ZINC001246291052 1069646406 /nfs/dbraw/zinc/64/64/06/1069646406.db2.gz QEYRUDUFBXBSBA-OAQYLSRUSA-N 2 1 451.605 -0.597 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246483056 1069651719 /nfs/dbraw/zinc/65/17/19/1069651719.db2.gz AGNOQTQAMYOMSU-VJANTYMQSA-N 2 1 452.600 -0.770 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246483057 1069651915 /nfs/dbraw/zinc/65/19/15/1069651915.db2.gz AGNOQTQAMYOMSU-XWSJACJDSA-N 2 1 452.600 -0.770 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246484794 1069652509 /nfs/dbraw/zinc/65/25/09/1069652509.db2.gz JCPCYDXHVAHCNV-GUZBNGIKSA-N 3 1 450.628 -0.026 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246484801 1069652479 /nfs/dbraw/zinc/65/24/79/1069652479.db2.gz JCPCYDXHVAHCNV-XGXHKTLJSA-N 3 1 450.628 -0.026 20 0 JBADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246484802 1069652518 /nfs/dbraw/zinc/65/25/18/1069652518.db2.gz JCPCYDXHVAHCNV-XSEPRYCASA-N 3 1 450.628 -0.026 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1C[NH2+][C@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484874 1069652418 /nfs/dbraw/zinc/65/24/18/1069652418.db2.gz JKVBAKMQOJHZRA-HTDHLNIYSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1C[NH2+][C@@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484878 1069652531 /nfs/dbraw/zinc/65/25/31/1069652531.db2.gz JKVBAKMQOJHZRA-JBDAPHQKSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1C[NH2+][C@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484879 1069652396 /nfs/dbraw/zinc/65/23/96/1069652396.db2.gz JKVBAKMQOJHZRA-LGKHCZOZSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1C[NH2+][C@@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246484880 1069652354 /nfs/dbraw/zinc/65/23/54/1069652354.db2.gz JKVBAKMQOJHZRA-ZDNSCYFHSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246485432 1069652491 /nfs/dbraw/zinc/65/24/91/1069652491.db2.gz LJTOABNOZUTBNE-FYQPLNBISA-N 2 1 466.627 -0.380 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001246485433 1069652291 /nfs/dbraw/zinc/65/22/91/1069652291.db2.gz LJTOABNOZUTBNE-MUGJNUQGSA-N 2 1 466.627 -0.380 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246509972 1069653866 /nfs/dbraw/zinc/65/38/66/1069653866.db2.gz AGNOQTQAMYOMSU-CADBVGFASA-N 2 1 452.600 -0.770 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246509974 1069653971 /nfs/dbraw/zinc/65/39/71/1069653971.db2.gz AGNOQTQAMYOMSU-YDZRNGNQSA-N 2 1 452.600 -0.770 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1C[NH2+][C@@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246511900 1069653771 /nfs/dbraw/zinc/65/37/71/1069653771.db2.gz JKVBAKMQOJHZRA-AXDKOMKPSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1C[NH2+][C@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246511902 1069654465 /nfs/dbraw/zinc/65/44/65/1069654465.db2.gz JKVBAKMQOJHZRA-LFZDHENXSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1C[NH2+][C@@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246511903 1069654708 /nfs/dbraw/zinc/65/47/08/1069654708.db2.gz JKVBAKMQOJHZRA-ONSCTEFMSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1C[NH2+][C@H](C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246511905 1069654549 /nfs/dbraw/zinc/65/45/49/1069654549.db2.gz JKVBAKMQOJHZRA-QDGKJQRMSA-N 2 1 466.627 -0.382 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246512312 1069654409 /nfs/dbraw/zinc/65/44/09/1069654409.db2.gz LJTOABNOZUTBNE-FUMNGEBKSA-N 2 1 466.627 -0.380 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001246512313 1069654558 /nfs/dbraw/zinc/65/45/58/1069654558.db2.gz LJTOABNOZUTBNE-LWYYNNOASA-N 2 1 466.627 -0.380 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246698729 1069657326 /nfs/dbraw/zinc/65/73/26/1069657326.db2.gz CUXFAJFWDHHRIV-OPYAIIAOSA-N 2 1 455.625 -0.945 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246698746 1069657234 /nfs/dbraw/zinc/65/72/34/1069657234.db2.gz CUXFAJFWDHHRIV-UEXGIBASSA-N 2 1 455.625 -0.945 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@@H]3CCOC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246700172 1069657368 /nfs/dbraw/zinc/65/73/68/1069657368.db2.gz GGESGNFOYYOKCE-OPYAIIAOSA-N 2 1 456.609 -0.518 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@H]3CCOC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246700184 1069657171 /nfs/dbraw/zinc/65/71/71/1069657171.db2.gz GGESGNFOYYOKCE-UEXGIBASSA-N 2 1 456.609 -0.518 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@H]3CSC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246707585 1069658184 /nfs/dbraw/zinc/65/81/84/1069658184.db2.gz ZHXBNTLDJZRKIP-HLIPFELVSA-N 2 1 458.650 -0.191 20 0 JBADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@@H]3CSC4(C[NH2+]C4)C3)CC[C@@H]12 ZINC001246707586 1069658135 /nfs/dbraw/zinc/65/81/35/1069658135.db2.gz ZHXBNTLDJZRKIP-QKLQHJQFSA-N 2 1 458.650 -0.191 20 0 JBADMP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)C[C@H](C1)[NH2+]2 ZINC001246720219 1069658839 /nfs/dbraw/zinc/65/88/39/1069658839.db2.gz HZFDFXFTXGYLPD-BVBOCONYSA-N 2 1 469.604 -0.348 20 0 JBADMP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)C[C@H](C1)[NH2+]2 ZINC001246720219 1069658832 /nfs/dbraw/zinc/65/88/32/1069658832.db2.gz HZFDFXFTXGYLPD-BVBOCONYSA-N 2 1 469.604 -0.348 20 0 JBADMP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)C[C@H](C1)[NH2+]2 ZINC001246720220 1069658749 /nfs/dbraw/zinc/65/87/49/1069658749.db2.gz HZFDFXFTXGYLPD-OYWNWQJNSA-N 2 1 469.604 -0.348 20 0 JBADMP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)C[C@H](C1)[NH2+]2 ZINC001246720220 1069658744 /nfs/dbraw/zinc/65/87/44/1069658744.db2.gz HZFDFXFTXGYLPD-OYWNWQJNSA-N 2 1 469.604 -0.348 20 0 JBADMP COC(=O)C1C[C@@H]2CC(N(Cc3cc(=O)n4c(n3)C[NH2+]CCC4)S(C)(=O)=O)C[C@H](C1)[NH2+]2 ZINC001246754047 1069659710 /nfs/dbraw/zinc/65/97/10/1069659710.db2.gz MOJTWZKUZPIGQW-GJUQIXGGSA-N 2 1 453.565 -0.430 20 0 JBADMP COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@H]4CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]4CC3)C[C@H](C1)[NH2+]2 ZINC001246762281 1069660420 /nfs/dbraw/zinc/66/04/20/1069660420.db2.gz YPRDWXJBRUPWLU-HUWXZWHESA-N 2 1 456.609 -0.127 20 0 JBADMP O=C([C@@H]1C[C@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C[NH2+]1)N1CCSC1 ZINC001246764990 1069660305 /nfs/dbraw/zinc/66/03/05/1069660305.db2.gz IOBQFQBTKBJTPD-RDJZCZTQSA-N 2 1 482.632 -0.706 20 0 JBADMP O=C([C@@H]1C[C@@H](N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)C[NH2+]1)N1CCSC1 ZINC001246764995 1069660371 /nfs/dbraw/zinc/66/03/71/1069660371.db2.gz IOBQFQBTKBJTPD-WBVHZDCISA-N 2 1 482.632 -0.706 20 0 JBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925493 1069662568 /nfs/dbraw/zinc/66/25/68/1069662568.db2.gz NBFKCMORMGBFOM-INIZCTEOSA-N 2 1 450.588 -0.892 20 0 JBADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925493 1069662566 /nfs/dbraw/zinc/66/25/66/1069662566.db2.gz NBFKCMORMGBFOM-INIZCTEOSA-N 3 1 450.588 -0.892 20 0 JBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925501 1069662745 /nfs/dbraw/zinc/66/27/45/1069662745.db2.gz NBFKCMORMGBFOM-MRXNPFEDSA-N 2 1 450.588 -0.892 20 0 JBADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925501 1069662743 /nfs/dbraw/zinc/66/27/43/1069662743.db2.gz NBFKCMORMGBFOM-MRXNPFEDSA-N 3 1 450.588 -0.892 20 0 JBADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001248547639 1069667728 /nfs/dbraw/zinc/66/77/28/1069667728.db2.gz RUOQALBXOWEXEV-MRXNPFEDSA-N 2 1 470.465 -0.585 20 0 JBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2)CC1 ZINC001251865875 1069680609 /nfs/dbraw/zinc/68/06/09/1069680609.db2.gz NQDZQAYETZBXIL-UHFFFAOYSA-N 2 1 450.628 -0.021 20 0 JBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253389356 1069690514 /nfs/dbraw/zinc/69/05/14/1069690514.db2.gz ZVEJWPFHONLPMI-OPYAIIAOSA-N 2 1 460.641 -0.290 20 0 JBADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253389356 1069690506 /nfs/dbraw/zinc/69/05/06/1069690506.db2.gz ZVEJWPFHONLPMI-OPYAIIAOSA-N 2 1 460.641 -0.290 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@@H+](C)CC1)c(N)nc2=O ZINC001254502605 1069707779 /nfs/dbraw/zinc/70/77/79/1069707779.db2.gz HELJPCFMCIRKKD-HRCADAONSA-N 2 1 465.555 -0.307 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@@H+](C)CC1)c(N)nc2=O ZINC001254502606 1069707685 /nfs/dbraw/zinc/70/76/85/1069707685.db2.gz HELJPCFMCIRKKD-JYJNAYRXSA-N 2 1 465.555 -0.307 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@@H+](C)CC1)c(N)nc2=O ZINC001254502607 1069707893 /nfs/dbraw/zinc/70/78/93/1069707893.db2.gz HELJPCFMCIRKKD-OWCLPIDISA-N 2 1 465.555 -0.307 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@@H+](C)CC1)c(N)nc2=O ZINC001254502608 1069708758 /nfs/dbraw/zinc/70/87/58/1069708758.db2.gz HELJPCFMCIRKKD-PMPSAXMXSA-N 2 1 465.555 -0.307 20 0 JBADMP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255109536 1069711771 /nfs/dbraw/zinc/71/17/71/1069711771.db2.gz TUXWABLTIDQUII-FKBYEOEOSA-N 3 1 498.632 -0.585 20 0 JBADMP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255109539 1069712191 /nfs/dbraw/zinc/71/21/91/1069712191.db2.gz TUXWABLTIDQUII-FSSWDIPSSA-N 3 1 498.632 -0.585 20 0 JBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387953 1069713854 /nfs/dbraw/zinc/71/38/54/1069713854.db2.gz WESOILWJBFSOGW-GADAEZOWSA-N 2 1 469.546 -0.020 20 0 JBADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387954 1069713894 /nfs/dbraw/zinc/71/38/94/1069713894.db2.gz WESOILWJBFSOGW-IAYKURSESA-N 2 1 469.546 -0.020 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@@H+](C)C1)c(N)nc2=O ZINC001255469067 1069713977 /nfs/dbraw/zinc/71/39/77/1069713977.db2.gz AJUKFMOPZCNKFF-ILXRZTDVSA-N 2 1 451.528 -0.697 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@@H+](C)C1)c(N)nc2=O ZINC001255469075 1069713716 /nfs/dbraw/zinc/71/37/16/1069713716.db2.gz AJUKFMOPZCNKFF-KKUMJFAQSA-N 2 1 451.528 -0.697 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[N@@H+](C)C1)c(N)nc2=O ZINC001255469076 1069714669 /nfs/dbraw/zinc/71/46/69/1069714669.db2.gz AJUKFMOPZCNKFF-QLFBSQMISA-N 2 1 451.528 -0.697 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[N@@H+](C)C1)c(N)nc2=O ZINC001255469077 1069714911 /nfs/dbraw/zinc/71/49/11/1069714911.db2.gz AJUKFMOPZCNKFF-SOUVJXGZSA-N 2 1 451.528 -0.697 20 0 JBADMP COc1cccc(OC)c1C[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001255927939 1069716587 /nfs/dbraw/zinc/71/65/87/1069716587.db2.gz HTOPNLFTHOFRGI-ZHHKINOHSA-N 2 1 475.546 -0.251 20 0 JBADMP C[NH+]1CCC([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001256197692 1069718186 /nfs/dbraw/zinc/71/81/86/1069718186.db2.gz PGPVUAITMXNCBL-UHFFFAOYSA-N 3 1 465.632 -0.255 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+]C1CC[NH+](C)CC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001256201661 1069718554 /nfs/dbraw/zinc/71/85/54/1069718554.db2.gz OPKHFNUDQYZQLB-ACRUOGEOSA-N 2 1 480.654 -0.038 20 0 JBADMP CC(=O)N[C@@H](CCCC[NH2+]C1CC[NH+](C)CC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001256201932 1069719281 /nfs/dbraw/zinc/71/92/81/1069719281.db2.gz OPKHFNUDQYZQLB-PCCBWWKXSA-N 2 1 480.654 -0.038 20 0 JBADMP C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@H+]1Cc1ccccc1 ZINC001256527150 1069722910 /nfs/dbraw/zinc/72/29/10/1069722910.db2.gz QNYJKQDVBGDCIG-KELMJVFSSA-N 2 1 469.546 -0.021 20 0 JBADMP C[C@@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@H+]1Cc1ccccc1 ZINC001256527151 1069722600 /nfs/dbraw/zinc/72/26/00/1069722600.db2.gz QNYJKQDVBGDCIG-VRNCYRRXSA-N 2 1 469.546 -0.021 20 0 JBADMP C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@H+]1Cc1ccccc1 ZINC001256527152 1069722376 /nfs/dbraw/zinc/72/23/76/1069722376.db2.gz QNYJKQDVBGDCIG-VVYRCICSSA-N 2 1 469.546 -0.021 20 0 JBADMP C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC[N@H+]1Cc1ccccc1 ZINC001256527153 1069722752 /nfs/dbraw/zinc/72/27/52/1069722752.db2.gz QNYJKQDVBGDCIG-YXPFNAKDSA-N 2 1 469.546 -0.021 20 0 JBADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001256615061 1069722871 /nfs/dbraw/zinc/72/28/71/1069722871.db2.gz SSEGUUGIPDKAHP-ALILYOIUSA-N 2 1 477.566 -0.166 20 0 JBADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(N)nc2=O ZINC001256615062 1069722714 /nfs/dbraw/zinc/72/27/14/1069722714.db2.gz SSEGUUGIPDKAHP-BFZKSOEOSA-N 2 1 477.566 -0.166 20 0 JBADMP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256911704 1069723300 /nfs/dbraw/zinc/72/33/00/1069723300.db2.gz SHOINPGNZFVPLH-ACRUOGEOSA-N 3 1 490.653 -0.452 20 0 JBADMP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001256911705 1069723665 /nfs/dbraw/zinc/72/36/65/1069723665.db2.gz SHOINPGNZFVPLH-HKBOAZHASA-N 3 1 490.653 -0.452 20 0 JBADMP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001257934328 1069729540 /nfs/dbraw/zinc/72/95/40/1069729540.db2.gz FEPFVMXWMHZBSJ-GOSISDBHSA-N 2 1 460.641 -0.087 20 0 JBADMP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001257934329 1069730782 /nfs/dbraw/zinc/73/07/82/1069730782.db2.gz FEPFVMXWMHZBSJ-SFHVURJKSA-N 2 1 460.641 -0.087 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001288168329 1069852396 /nfs/dbraw/zinc/85/23/96/1069852396.db2.gz OGWROIATBULWTB-MOPGFXCFSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001288168329 1069852376 /nfs/dbraw/zinc/85/23/76/1069852376.db2.gz OGWROIATBULWTB-MOPGFXCFSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001288168329 1069852345 /nfs/dbraw/zinc/85/23/45/1069852345.db2.gz OGWROIATBULWTB-MOPGFXCFSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001288168329 1069852333 /nfs/dbraw/zinc/85/23/33/1069852333.db2.gz OGWROIATBULWTB-MOPGFXCFSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001288168330 1069852664 /nfs/dbraw/zinc/85/26/64/1069852664.db2.gz OGWROIATBULWTB-OALUTQOASA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001288168330 1069852638 /nfs/dbraw/zinc/85/26/38/1069852638.db2.gz OGWROIATBULWTB-OALUTQOASA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001288168330 1069852614 /nfs/dbraw/zinc/85/26/14/1069852614.db2.gz OGWROIATBULWTB-OALUTQOASA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001288168330 1069852586 /nfs/dbraw/zinc/85/25/86/1069852586.db2.gz OGWROIATBULWTB-OALUTQOASA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168331 1069851834 /nfs/dbraw/zinc/85/18/34/1069851834.db2.gz OGWROIATBULWTB-RBUKOAKNSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168331 1069851814 /nfs/dbraw/zinc/85/18/14/1069851814.db2.gz OGWROIATBULWTB-RBUKOAKNSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168331 1069851790 /nfs/dbraw/zinc/85/17/90/1069851790.db2.gz OGWROIATBULWTB-RBUKOAKNSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168331 1069851773 /nfs/dbraw/zinc/85/17/73/1069851773.db2.gz OGWROIATBULWTB-RBUKOAKNSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168332 1069852171 /nfs/dbraw/zinc/85/21/71/1069852171.db2.gz OGWROIATBULWTB-RTBURBONSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168332 1069852152 /nfs/dbraw/zinc/85/21/52/1069852152.db2.gz OGWROIATBULWTB-RTBURBONSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168332 1069852137 /nfs/dbraw/zinc/85/21/37/1069852137.db2.gz OGWROIATBULWTB-RTBURBONSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001288168332 1069852113 /nfs/dbraw/zinc/85/21/13/1069852113.db2.gz OGWROIATBULWTB-RTBURBONSA-N 2 1 476.626 -0.120 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409151 1069866216 /nfs/dbraw/zinc/86/62/16/1069866216.db2.gz NEUBJKWXTIVMHH-FXAWDEMLSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001288409151 1069866196 /nfs/dbraw/zinc/86/61/96/1069866196.db2.gz NEUBJKWXTIVMHH-FXAWDEMLSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409152 1069866013 /nfs/dbraw/zinc/86/60/13/1069866013.db2.gz NEUBJKWXTIVMHH-PXNSSMCTSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001288409152 1069865999 /nfs/dbraw/zinc/86/59/99/1069865999.db2.gz NEUBJKWXTIVMHH-PXNSSMCTSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409153 1069866374 /nfs/dbraw/zinc/86/63/74/1069866374.db2.gz NEUBJKWXTIVMHH-XLIONFOSSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001288409153 1069866364 /nfs/dbraw/zinc/86/63/64/1069866364.db2.gz NEUBJKWXTIVMHH-XLIONFOSSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288409155 1069865912 /nfs/dbraw/zinc/86/59/12/1069865912.db2.gz NEUBJKWXTIVMHH-YLJYHZDGSA-N 2 1 473.644 -0.498 20 0 JBADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001288409155 1069865895 /nfs/dbraw/zinc/86/58/95/1069865895.db2.gz NEUBJKWXTIVMHH-YLJYHZDGSA-N 2 1 473.644 -0.498 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288775438 1069873387 /nfs/dbraw/zinc/87/33/87/1069873387.db2.gz DPGLCIDZCUDBMT-DYESRHJHSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288775438 1069873371 /nfs/dbraw/zinc/87/33/71/1069873371.db2.gz DPGLCIDZCUDBMT-DYESRHJHSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288775440 1069872577 /nfs/dbraw/zinc/87/25/77/1069872577.db2.gz DPGLCIDZCUDBMT-LAUBAEHRSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288775440 1069872548 /nfs/dbraw/zinc/87/25/48/1069872548.db2.gz DPGLCIDZCUDBMT-LAUBAEHRSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288775441 1069873076 /nfs/dbraw/zinc/87/30/76/1069873076.db2.gz DPGLCIDZCUDBMT-UTKZUKDTSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288775441 1069873066 /nfs/dbraw/zinc/87/30/66/1069873066.db2.gz DPGLCIDZCUDBMT-UTKZUKDTSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288775445 1069873298 /nfs/dbraw/zinc/87/32/98/1069873298.db2.gz DPGLCIDZCUDBMT-UWJYYQICSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288775445 1069873278 /nfs/dbraw/zinc/87/32/78/1069873278.db2.gz DPGLCIDZCUDBMT-UWJYYQICSA-N 2 1 487.671 -0.251 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288792914 1069875540 /nfs/dbraw/zinc/87/55/40/1069875540.db2.gz UAVLGRJZAFNLDK-AXVVYFOYSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288792914 1069875526 /nfs/dbraw/zinc/87/55/26/1069875526.db2.gz UAVLGRJZAFNLDK-AXVVYFOYSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288792914 1069875502 /nfs/dbraw/zinc/87/55/02/1069875502.db2.gz UAVLGRJZAFNLDK-AXVVYFOYSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288792914 1069875488 /nfs/dbraw/zinc/87/54/88/1069875488.db2.gz UAVLGRJZAFNLDK-AXVVYFOYSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288792918 1069876025 /nfs/dbraw/zinc/87/60/25/1069876025.db2.gz UAVLGRJZAFNLDK-CLWJZODNSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288792918 1069875998 /nfs/dbraw/zinc/87/59/98/1069875998.db2.gz UAVLGRJZAFNLDK-CLWJZODNSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288792918 1069875973 /nfs/dbraw/zinc/87/59/73/1069875973.db2.gz UAVLGRJZAFNLDK-CLWJZODNSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288792918 1069875953 /nfs/dbraw/zinc/87/59/53/1069875953.db2.gz UAVLGRJZAFNLDK-CLWJZODNSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288792920 1069876217 /nfs/dbraw/zinc/87/62/17/1069876217.db2.gz UAVLGRJZAFNLDK-PFRQMTDMSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288792920 1069876197 /nfs/dbraw/zinc/87/61/97/1069876197.db2.gz UAVLGRJZAFNLDK-PFRQMTDMSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288792920 1069876182 /nfs/dbraw/zinc/87/61/82/1069876182.db2.gz UAVLGRJZAFNLDK-PFRQMTDMSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288792920 1069876151 /nfs/dbraw/zinc/87/61/51/1069876151.db2.gz UAVLGRJZAFNLDK-PFRQMTDMSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288792922 1069875736 /nfs/dbraw/zinc/87/57/36/1069875736.db2.gz UAVLGRJZAFNLDK-YZLZLFLDSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288792922 1069875720 /nfs/dbraw/zinc/87/57/20/1069875720.db2.gz UAVLGRJZAFNLDK-YZLZLFLDSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288792922 1069875704 /nfs/dbraw/zinc/87/57/04/1069875704.db2.gz UAVLGRJZAFNLDK-YZLZLFLDSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288792922 1069875689 /nfs/dbraw/zinc/87/56/89/1069875689.db2.gz UAVLGRJZAFNLDK-YZLZLFLDSA-N 2 1 473.644 -0.500 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288819512 1069880610 /nfs/dbraw/zinc/88/06/10/1069880610.db2.gz VHZZEZJSAIGPRX-MOPGFXCFSA-N 2 1 499.682 -0.106 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288819515 1069880776 /nfs/dbraw/zinc/88/07/76/1069880776.db2.gz VHZZEZJSAIGPRX-OALUTQOASA-N 2 1 499.682 -0.106 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288819517 1069881260 /nfs/dbraw/zinc/88/12/60/1069881260.db2.gz VHZZEZJSAIGPRX-RBUKOAKNSA-N 2 1 499.682 -0.106 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288819519 1069881224 /nfs/dbraw/zinc/88/12/24/1069881224.db2.gz VHZZEZJSAIGPRX-RTBURBONSA-N 2 1 499.682 -0.106 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001288870353 1069904362 /nfs/dbraw/zinc/90/43/62/1069904362.db2.gz OTFDRKKCTQHMLS-BZSNNMDCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001288870353 1069904354 /nfs/dbraw/zinc/90/43/54/1069904354.db2.gz OTFDRKKCTQHMLS-BZSNNMDCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001288870353 1069904353 /nfs/dbraw/zinc/90/43/53/1069904353.db2.gz OTFDRKKCTQHMLS-BZSNNMDCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001288870353 1069904344 /nfs/dbraw/zinc/90/43/44/1069904344.db2.gz OTFDRKKCTQHMLS-BZSNNMDCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001288870354 1069904318 /nfs/dbraw/zinc/90/43/18/1069904318.db2.gz OTFDRKKCTQHMLS-KSZLIROESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001288870354 1069904315 /nfs/dbraw/zinc/90/43/15/1069904315.db2.gz OTFDRKKCTQHMLS-KSZLIROESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001288870354 1069904309 /nfs/dbraw/zinc/90/43/09/1069904309.db2.gz OTFDRKKCTQHMLS-KSZLIROESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001288870354 1069904305 /nfs/dbraw/zinc/90/43/05/1069904305.db2.gz OTFDRKKCTQHMLS-KSZLIROESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001288870355 1069904522 /nfs/dbraw/zinc/90/45/22/1069904522.db2.gz OTFDRKKCTQHMLS-OKZBNKHCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[NH+]1CCCO ZINC001288870355 1069904520 /nfs/dbraw/zinc/90/45/20/1069904520.db2.gz OTFDRKKCTQHMLS-OKZBNKHCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001288870355 1069904517 /nfs/dbraw/zinc/90/45/17/1069904517.db2.gz OTFDRKKCTQHMLS-OKZBNKHCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001288870355 1069904510 /nfs/dbraw/zinc/90/45/10/1069904510.db2.gz OTFDRKKCTQHMLS-OKZBNKHCSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001288870356 1069904429 /nfs/dbraw/zinc/90/44/29/1069904429.db2.gz OTFDRKKCTQHMLS-RCCFBDPRSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCC[NH+]1CCCO ZINC001288870356 1069904425 /nfs/dbraw/zinc/90/44/25/1069904425.db2.gz OTFDRKKCTQHMLS-RCCFBDPRSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001288870356 1069904420 /nfs/dbraw/zinc/90/44/20/1069904420.db2.gz OTFDRKKCTQHMLS-RCCFBDPRSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001288870356 1069904413 /nfs/dbraw/zinc/90/44/13/1069904413.db2.gz OTFDRKKCTQHMLS-RCCFBDPRSA-N 2 1 471.628 -0.744 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001290521930 1069919353 /nfs/dbraw/zinc/91/93/53/1069919353.db2.gz QOOBBNUUMSXXGB-AEFFLSMTSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001290521930 1069919351 /nfs/dbraw/zinc/91/93/51/1069919351.db2.gz QOOBBNUUMSXXGB-AEFFLSMTSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001290521931 1069919260 /nfs/dbraw/zinc/91/92/60/1069919260.db2.gz QOOBBNUUMSXXGB-FUHWJXTLSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290521931 1069919256 /nfs/dbraw/zinc/91/92/56/1069919256.db2.gz QOOBBNUUMSXXGB-FUHWJXTLSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001290521932 1069919150 /nfs/dbraw/zinc/91/91/50/1069919150.db2.gz QOOBBNUUMSXXGB-SJLPKXTDSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290521932 1069919144 /nfs/dbraw/zinc/91/91/44/1069919144.db2.gz QOOBBNUUMSXXGB-SJLPKXTDSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001290521933 1069919286 /nfs/dbraw/zinc/91/92/86/1069919286.db2.gz QOOBBNUUMSXXGB-WMZOPIPTSA-N 2 1 493.638 -0.164 20 0 JBADMP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001290521933 1069919278 /nfs/dbraw/zinc/91/92/78/1069919278.db2.gz QOOBBNUUMSXXGB-WMZOPIPTSA-N 2 1 493.638 -0.164 20 0 JBADMP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295540452 1069982728 /nfs/dbraw/zinc/98/27/28/1069982728.db2.gz BTNBHVCZFQXKND-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295540452 1069982722 /nfs/dbraw/zinc/98/27/22/1069982722.db2.gz BTNBHVCZFQXKND-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295540453 1069982567 /nfs/dbraw/zinc/98/25/67/1069982567.db2.gz BTNBHVCZFQXKND-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295540453 1069982558 /nfs/dbraw/zinc/98/25/58/1069982558.db2.gz BTNBHVCZFQXKND-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295540454 1069982621 /nfs/dbraw/zinc/98/26/21/1069982621.db2.gz BTNBHVCZFQXKND-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295540454 1069982615 /nfs/dbraw/zinc/98/26/15/1069982615.db2.gz BTNBHVCZFQXKND-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295540455 1069982686 /nfs/dbraw/zinc/98/26/86/1069982686.db2.gz BTNBHVCZFQXKND-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295540455 1069982681 /nfs/dbraw/zinc/98/26/81/1069982681.db2.gz BTNBHVCZFQXKND-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069023 1069993825 /nfs/dbraw/zinc/99/38/25/1069993825.db2.gz VEKDRLCZMMXVHU-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069023 1069993823 /nfs/dbraw/zinc/99/38/23/1069993823.db2.gz VEKDRLCZMMXVHU-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069026 1069993744 /nfs/dbraw/zinc/99/37/44/1069993744.db2.gz VEKDRLCZMMXVHU-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069026 1069993742 /nfs/dbraw/zinc/99/37/42/1069993742.db2.gz VEKDRLCZMMXVHU-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069028 1069993724 /nfs/dbraw/zinc/99/37/24/1069993724.db2.gz VEKDRLCZMMXVHU-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069028 1069993719 /nfs/dbraw/zinc/99/37/19/1069993719.db2.gz VEKDRLCZMMXVHU-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069030 1069993847 /nfs/dbraw/zinc/99/38/47/1069993847.db2.gz VEKDRLCZMMXVHU-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296069030 1069993841 /nfs/dbraw/zinc/99/38/41/1069993841.db2.gz VEKDRLCZMMXVHU-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001296161063 1069997341 /nfs/dbraw/zinc/99/73/41/1069997341.db2.gz QOJWGZBYQFQCCP-AABGKKOBSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001296161063 1069997339 /nfs/dbraw/zinc/99/73/39/1069997339.db2.gz QOJWGZBYQFQCCP-AABGKKOBSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296161063 1069997334 /nfs/dbraw/zinc/99/73/34/1069997334.db2.gz QOJWGZBYQFQCCP-AABGKKOBSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001296161068 1069997177 /nfs/dbraw/zinc/99/71/77/1069997177.db2.gz QOJWGZBYQFQCCP-AQNXPRMDSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001296161068 1069997175 /nfs/dbraw/zinc/99/71/75/1069997175.db2.gz QOJWGZBYQFQCCP-AQNXPRMDSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296161068 1069997174 /nfs/dbraw/zinc/99/71/74/1069997174.db2.gz QOJWGZBYQFQCCP-AQNXPRMDSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001296161071 1069997156 /nfs/dbraw/zinc/99/71/56/1069997156.db2.gz QOJWGZBYQFQCCP-UFYCRDLUSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001296161071 1069997148 /nfs/dbraw/zinc/99/71/48/1069997148.db2.gz QOJWGZBYQFQCCP-UFYCRDLUSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296161071 1069997146 /nfs/dbraw/zinc/99/71/46/1069997146.db2.gz QOJWGZBYQFQCCP-UFYCRDLUSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001296161073 1069997225 /nfs/dbraw/zinc/99/72/25/1069997225.db2.gz QOJWGZBYQFQCCP-ZCNNSNEGSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001296161073 1069997220 /nfs/dbraw/zinc/99/72/20/1069997220.db2.gz QOJWGZBYQFQCCP-ZCNNSNEGSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296161073 1069997219 /nfs/dbraw/zinc/99/72/19/1069997219.db2.gz QOJWGZBYQFQCCP-ZCNNSNEGSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296162181 1069997125 /nfs/dbraw/zinc/99/71/25/1069997125.db2.gz SXTXDYVQUNQQOO-AZUAARDMSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296162182 1069997060 /nfs/dbraw/zinc/99/70/60/1069997060.db2.gz SXTXDYVQUNQQOO-ICSRJNTNSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296162183 1069997259 /nfs/dbraw/zinc/99/72/59/1069997259.db2.gz SXTXDYVQUNQQOO-QUCCMNQESA-N 2 1 499.682 -0.012 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296162184 1069997205 /nfs/dbraw/zinc/99/72/05/1069997205.db2.gz SXTXDYVQUNQQOO-UYAOXDASSA-N 2 1 499.682 -0.012 20 0 JBADMP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001298088727 1070060521 /nfs/dbraw/zinc/06/05/21/1070060521.db2.gz KQWFVENJJGVXDE-IBGZPJMESA-N 2 1 476.626 -0.165 20 0 JBADMP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001298088741 1070060707 /nfs/dbraw/zinc/06/07/07/1070060707.db2.gz KQWFVENJJGVXDE-LJQANCHMSA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301735190 1070145284 /nfs/dbraw/zinc/14/52/84/1070145284.db2.gz WUGQFJZRAYHIEZ-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301735190 1070145282 /nfs/dbraw/zinc/14/52/82/1070145282.db2.gz WUGQFJZRAYHIEZ-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301735190 1070145278 /nfs/dbraw/zinc/14/52/78/1070145278.db2.gz WUGQFJZRAYHIEZ-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301735191 1070145174 /nfs/dbraw/zinc/14/51/74/1070145174.db2.gz WUGQFJZRAYHIEZ-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301735191 1070145172 /nfs/dbraw/zinc/14/51/72/1070145172.db2.gz WUGQFJZRAYHIEZ-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301735191 1070145168 /nfs/dbraw/zinc/14/51/68/1070145168.db2.gz WUGQFJZRAYHIEZ-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301735192 1070145258 /nfs/dbraw/zinc/14/52/58/1070145258.db2.gz WUGQFJZRAYHIEZ-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301735192 1070145253 /nfs/dbraw/zinc/14/52/53/1070145253.db2.gz WUGQFJZRAYHIEZ-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301735192 1070145249 /nfs/dbraw/zinc/14/52/49/1070145249.db2.gz WUGQFJZRAYHIEZ-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301735193 1070145365 /nfs/dbraw/zinc/14/53/65/1070145365.db2.gz WUGQFJZRAYHIEZ-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301735193 1070145361 /nfs/dbraw/zinc/14/53/61/1070145361.db2.gz WUGQFJZRAYHIEZ-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301735193 1070145358 /nfs/dbraw/zinc/14/53/58/1070145358.db2.gz WUGQFJZRAYHIEZ-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001301762424 1070149477 /nfs/dbraw/zinc/14/94/77/1070149477.db2.gz AHOAFGRYAUPOGJ-AZUAARDMSA-N 2 1 478.642 -0.017 20 0 JBADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001301762425 1070149581 /nfs/dbraw/zinc/14/95/81/1070149581.db2.gz AHOAFGRYAUPOGJ-ICSRJNTNSA-N 2 1 478.642 -0.017 20 0 JBADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001301762426 1070149506 /nfs/dbraw/zinc/14/95/06/1070149506.db2.gz AHOAFGRYAUPOGJ-QUCCMNQESA-N 2 1 478.642 -0.017 20 0 JBADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001301762427 1070150295 /nfs/dbraw/zinc/15/02/95/1070150295.db2.gz AHOAFGRYAUPOGJ-UYAOXDASSA-N 2 1 478.642 -0.017 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001301876116 1070165505 /nfs/dbraw/zinc/16/55/05/1070165505.db2.gz UPEPXCJCERSQCG-GOSISDBHSA-N 2 1 487.671 -0.108 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001301876118 1070165352 /nfs/dbraw/zinc/16/53/52/1070165352.db2.gz UPEPXCJCERSQCG-SFHVURJKSA-N 2 1 487.671 -0.108 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001303399710 1070245590 /nfs/dbraw/zinc/24/55/90/1070245590.db2.gz APABDPHIOAZCMU-UHFFFAOYSA-N 2 1 476.626 -0.117 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001303399882 1070246434 /nfs/dbraw/zinc/24/64/34/1070246434.db2.gz FKKVNCTUPFEOCP-HTAPYJJXSA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001303399882 1070246418 /nfs/dbraw/zinc/24/64/18/1070246418.db2.gz FKKVNCTUPFEOCP-HTAPYJJXSA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303399882 1070246411 /nfs/dbraw/zinc/24/64/11/1070246411.db2.gz FKKVNCTUPFEOCP-HTAPYJJXSA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001303399883 1070246100 /nfs/dbraw/zinc/24/61/00/1070246100.db2.gz FKKVNCTUPFEOCP-JTSKRJEESA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001303399883 1070246087 /nfs/dbraw/zinc/24/60/87/1070246087.db2.gz FKKVNCTUPFEOCP-JTSKRJEESA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303399883 1070246076 /nfs/dbraw/zinc/24/60/76/1070246076.db2.gz FKKVNCTUPFEOCP-JTSKRJEESA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001303399884 1070246162 /nfs/dbraw/zinc/24/61/62/1070246162.db2.gz FKKVNCTUPFEOCP-VGOFRKELSA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001303399884 1070246152 /nfs/dbraw/zinc/24/61/52/1070246152.db2.gz FKKVNCTUPFEOCP-VGOFRKELSA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303399884 1070246144 /nfs/dbraw/zinc/24/61/44/1070246144.db2.gz FKKVNCTUPFEOCP-VGOFRKELSA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001303399885 1070246362 /nfs/dbraw/zinc/24/63/62/1070246362.db2.gz FKKVNCTUPFEOCP-VGSWGCGISA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001303399885 1070246350 /nfs/dbraw/zinc/24/63/50/1070246350.db2.gz FKKVNCTUPFEOCP-VGSWGCGISA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303399885 1070246340 /nfs/dbraw/zinc/24/63/40/1070246340.db2.gz FKKVNCTUPFEOCP-VGSWGCGISA-N 2 1 462.599 -0.774 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001303400416 1070246992 /nfs/dbraw/zinc/24/69/92/1070246992.db2.gz WRWPIYVLZWFUBN-IBGZPJMESA-N 2 1 476.626 -0.119 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001303400416 1070246985 /nfs/dbraw/zinc/24/69/85/1070246985.db2.gz WRWPIYVLZWFUBN-IBGZPJMESA-N 2 1 476.626 -0.119 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001303400417 1070246878 /nfs/dbraw/zinc/24/68/78/1070246878.db2.gz WRWPIYVLZWFUBN-LJQANCHMSA-N 2 1 476.626 -0.119 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001303400417 1070246870 /nfs/dbraw/zinc/24/68/70/1070246870.db2.gz WRWPIYVLZWFUBN-LJQANCHMSA-N 2 1 476.626 -0.119 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001303723035 1070260494 /nfs/dbraw/zinc/26/04/94/1070260494.db2.gz QYPMHSYJTBTLMG-DBXWQHBBSA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001303723037 1070260307 /nfs/dbraw/zinc/26/03/07/1070260307.db2.gz QYPMHSYJTBTLMG-LQWHRVPQSA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001303723038 1070260560 /nfs/dbraw/zinc/26/05/60/1070260560.db2.gz QYPMHSYJTBTLMG-LVCYWYKZSA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001303723039 1070261090 /nfs/dbraw/zinc/26/10/90/1070261090.db2.gz QYPMHSYJTBTLMG-OPYAIIAOSA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001303858116 1070275472 /nfs/dbraw/zinc/27/54/72/1070275472.db2.gz PXJSQDRATFFBLX-IKGGRYGDSA-N 2 1 470.644 -0.419 20 0 JBADMP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001303858117 1070275824 /nfs/dbraw/zinc/27/58/24/1070275824.db2.gz PXJSQDRATFFBLX-IXDOHACOSA-N 2 1 470.644 -0.419 20 0 JBADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001303858118 1070275411 /nfs/dbraw/zinc/27/54/11/1070275411.db2.gz PXJSQDRATFFBLX-ULQDDVLXSA-N 2 1 470.644 -0.419 20 0 JBADMP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001303858119 1070275653 /nfs/dbraw/zinc/27/56/53/1070275653.db2.gz PXJSQDRATFFBLX-YESZJQIVSA-N 2 1 470.644 -0.419 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303858390 1070276366 /nfs/dbraw/zinc/27/63/66/1070276366.db2.gz CHXHTOVHVDKFSG-MSOLQXFVSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303858390 1070276356 /nfs/dbraw/zinc/27/63/56/1070276356.db2.gz CHXHTOVHVDKFSG-MSOLQXFVSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001303858390 1070276344 /nfs/dbraw/zinc/27/63/44/1070276344.db2.gz CHXHTOVHVDKFSG-MSOLQXFVSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303858391 1070276595 /nfs/dbraw/zinc/27/65/95/1070276595.db2.gz CHXHTOVHVDKFSG-QZTJIDSGSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303858391 1070276586 /nfs/dbraw/zinc/27/65/86/1070276586.db2.gz CHXHTOVHVDKFSG-QZTJIDSGSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001303858391 1070276570 /nfs/dbraw/zinc/27/65/70/1070276570.db2.gz CHXHTOVHVDKFSG-QZTJIDSGSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001303858392 1070276503 /nfs/dbraw/zinc/27/65/03/1070276503.db2.gz CHXHTOVHVDKFSG-ROUUACIJSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303858392 1070276491 /nfs/dbraw/zinc/27/64/91/1070276491.db2.gz CHXHTOVHVDKFSG-ROUUACIJSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001303858392 1070276480 /nfs/dbraw/zinc/27/64/80/1070276480.db2.gz CHXHTOVHVDKFSG-ROUUACIJSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001303858393 1070276255 /nfs/dbraw/zinc/27/62/55/1070276255.db2.gz CHXHTOVHVDKFSG-ZWKOTPCHSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303858393 1070276247 /nfs/dbraw/zinc/27/62/47/1070276247.db2.gz CHXHTOVHVDKFSG-ZWKOTPCHSA-N 2 1 484.671 -0.029 20 0 JBADMP CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001303858393 1070276237 /nfs/dbraw/zinc/27/62/37/1070276237.db2.gz CHXHTOVHVDKFSG-ZWKOTPCHSA-N 2 1 484.671 -0.029 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001303864282 1070282133 /nfs/dbraw/zinc/28/21/33/1070282133.db2.gz BLUCCVWJJAIFPD-GOSISDBHSA-N 2 1 485.655 -0.088 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001303864283 1070282281 /nfs/dbraw/zinc/28/22/81/1070282281.db2.gz BLUCCVWJJAIFPD-SFHVURJKSA-N 2 1 485.655 -0.088 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305616029 1070322500 /nfs/dbraw/zinc/32/25/00/1070322500.db2.gz DAYOHXITYRLWPN-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305616029 1070322489 /nfs/dbraw/zinc/32/24/89/1070322489.db2.gz DAYOHXITYRLWPN-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305616029 1070322472 /nfs/dbraw/zinc/32/24/72/1070322472.db2.gz DAYOHXITYRLWPN-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305616029 1070322456 /nfs/dbraw/zinc/32/24/56/1070322456.db2.gz DAYOHXITYRLWPN-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305616030 1070322625 /nfs/dbraw/zinc/32/26/25/1070322625.db2.gz DAYOHXITYRLWPN-GBESFXJTSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305616030 1070322604 /nfs/dbraw/zinc/32/26/04/1070322604.db2.gz DAYOHXITYRLWPN-GBESFXJTSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305616030 1070322582 /nfs/dbraw/zinc/32/25/82/1070322582.db2.gz DAYOHXITYRLWPN-GBESFXJTSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305616030 1070322560 /nfs/dbraw/zinc/32/25/60/1070322560.db2.gz DAYOHXITYRLWPN-GBESFXJTSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305616031 1070322146 /nfs/dbraw/zinc/32/21/46/1070322146.db2.gz DAYOHXITYRLWPN-IPMKNSEASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305616031 1070322117 /nfs/dbraw/zinc/32/21/17/1070322117.db2.gz DAYOHXITYRLWPN-IPMKNSEASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305616031 1070322104 /nfs/dbraw/zinc/32/21/04/1070322104.db2.gz DAYOHXITYRLWPN-IPMKNSEASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305616031 1070322084 /nfs/dbraw/zinc/32/20/84/1070322084.db2.gz DAYOHXITYRLWPN-IPMKNSEASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305616032 1070321929 /nfs/dbraw/zinc/32/19/29/1070321929.db2.gz DAYOHXITYRLWPN-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305616032 1070321910 /nfs/dbraw/zinc/32/19/10/1070321910.db2.gz DAYOHXITYRLWPN-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305616032 1070321889 /nfs/dbraw/zinc/32/18/89/1070321889.db2.gz DAYOHXITYRLWPN-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305616032 1070321864 /nfs/dbraw/zinc/32/18/64/1070321864.db2.gz DAYOHXITYRLWPN-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313699401 1070379071 /nfs/dbraw/zinc/37/90/71/1070379071.db2.gz XPBPPJZZMHXJKQ-HSZRJFAPSA-N 2 1 476.626 -0.543 20 0 JBADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313699402 1070378828 /nfs/dbraw/zinc/37/88/28/1070378828.db2.gz XPBPPJZZMHXJKQ-QHCPKHFHSA-N 2 1 476.626 -0.543 20 0 JBADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313704251 1070379552 /nfs/dbraw/zinc/37/95/52/1070379552.db2.gz LXRKWPAZDOWJJN-JOCHJYFZSA-N 2 1 457.583 -0.208 20 0 JBADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001313704256 1070379328 /nfs/dbraw/zinc/37/93/28/1070379328.db2.gz LXRKWPAZDOWJJN-QFIPXVFZSA-N 2 1 457.583 -0.208 20 0 JBADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001313713772 1070380700 /nfs/dbraw/zinc/38/07/00/1070380700.db2.gz ULMLUJUAQIKBMH-CNNODRBYSA-N 2 1 499.682 -0.154 20 0 JBADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001313713773 1070380474 /nfs/dbraw/zinc/38/04/74/1070380474.db2.gz ULMLUJUAQIKBMH-IPJJNNNSSA-N 2 1 499.682 -0.154 20 0 JBADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001313713774 1070380434 /nfs/dbraw/zinc/38/04/34/1070380434.db2.gz ULMLUJUAQIKBMH-JQVVWYNYSA-N 2 1 499.682 -0.154 20 0 JBADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001313713775 1070380797 /nfs/dbraw/zinc/38/07/97/1070380797.db2.gz ULMLUJUAQIKBMH-NNMXDRDESA-N 2 1 499.682 -0.154 20 0 JBADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001314502484 1070431051 /nfs/dbraw/zinc/43/10/51/1070431051.db2.gz ZPELMZUGQDUQCY-MSOLQXFVSA-N 2 1 473.644 -0.280 20 0 JBADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001314502485 1070430918 /nfs/dbraw/zinc/43/09/18/1070430918.db2.gz ZPELMZUGQDUQCY-QZTJIDSGSA-N 2 1 473.644 -0.280 20 0 JBADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001314502486 1070430882 /nfs/dbraw/zinc/43/08/82/1070430882.db2.gz ZPELMZUGQDUQCY-ROUUACIJSA-N 2 1 473.644 -0.280 20 0 JBADMP CCOCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001314502487 1070431018 /nfs/dbraw/zinc/43/10/18/1070431018.db2.gz ZPELMZUGQDUQCY-ZWKOTPCHSA-N 2 1 473.644 -0.280 20 0 JBADMP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001314673827 1070458452 /nfs/dbraw/zinc/45/84/52/1070458452.db2.gz YZKKWJVJJBJELB-MOPGFXCFSA-N 2 1 497.666 -0.499 20 0 JBADMP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001314673828 1070458510 /nfs/dbraw/zinc/45/85/10/1070458510.db2.gz YZKKWJVJJBJELB-OALUTQOASA-N 2 1 497.666 -0.499 20 0 JBADMP C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001314673829 1070458383 /nfs/dbraw/zinc/45/83/83/1070458383.db2.gz YZKKWJVJJBJELB-RBUKOAKNSA-N 2 1 497.666 -0.499 20 0 JBADMP C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001314673830 1070458423 /nfs/dbraw/zinc/45/84/23/1070458423.db2.gz YZKKWJVJJBJELB-RTBURBONSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316068944 1070543113 /nfs/dbraw/zinc/54/31/13/1070543113.db2.gz VMPBIRWIAUYUGM-UHFFFAOYSA-N 2 1 476.626 -0.163 20 0 JBADMP COCC[NH+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001316074849 1070544749 /nfs/dbraw/zinc/54/47/49/1070544749.db2.gz PKMXFAIHLKXOFM-IBGZPJMESA-N 2 1 476.626 -0.279 20 0 JBADMP COCC[NH+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316074849 1070544739 /nfs/dbraw/zinc/54/47/39/1070544739.db2.gz PKMXFAIHLKXOFM-IBGZPJMESA-N 2 1 476.626 -0.279 20 0 JBADMP COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001316074849 1070544723 /nfs/dbraw/zinc/54/47/23/1070544723.db2.gz PKMXFAIHLKXOFM-IBGZPJMESA-N 2 1 476.626 -0.279 20 0 JBADMP COCC[NH+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001316074850 1070544657 /nfs/dbraw/zinc/54/46/57/1070544657.db2.gz PKMXFAIHLKXOFM-LJQANCHMSA-N 2 1 476.626 -0.279 20 0 JBADMP COCC[NH+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001316074850 1070544642 /nfs/dbraw/zinc/54/46/42/1070544642.db2.gz PKMXFAIHLKXOFM-LJQANCHMSA-N 2 1 476.626 -0.279 20 0 JBADMP COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001316074850 1070544632 /nfs/dbraw/zinc/54/46/32/1070544632.db2.gz PKMXFAIHLKXOFM-LJQANCHMSA-N 2 1 476.626 -0.279 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001316132486 1070550612 /nfs/dbraw/zinc/55/06/12/1070550612.db2.gz HCGSSPYPELAHAW-GOSISDBHSA-N 2 1 487.671 -0.033 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001316132505 1070550828 /nfs/dbraw/zinc/55/08/28/1070550828.db2.gz HCGSSPYPELAHAW-SFHVURJKSA-N 2 1 487.671 -0.033 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001316133926 1070552148 /nfs/dbraw/zinc/55/21/48/1070552148.db2.gz QRIXEJZRLHTMRT-GOSISDBHSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001316133930 1070552362 /nfs/dbraw/zinc/55/23/62/1070552362.db2.gz QRIXEJZRLHTMRT-SFHVURJKSA-N 2 1 485.655 -0.136 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001360570257 1070741908 /nfs/dbraw/zinc/74/19/08/1070741908.db2.gz LUEGWOBVRZSBLW-BRWVUGGUSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001360570257 1070741898 /nfs/dbraw/zinc/74/18/98/1070741898.db2.gz LUEGWOBVRZSBLW-BRWVUGGUSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001360570261 1070741798 /nfs/dbraw/zinc/74/17/98/1070741798.db2.gz LUEGWOBVRZSBLW-IKGGRYGDSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001360570261 1070741785 /nfs/dbraw/zinc/74/17/85/1070741785.db2.gz LUEGWOBVRZSBLW-IKGGRYGDSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001360570263 1070742116 /nfs/dbraw/zinc/74/21/16/1070742116.db2.gz LUEGWOBVRZSBLW-IXDOHACOSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001360570263 1070742109 /nfs/dbraw/zinc/74/21/09/1070742109.db2.gz LUEGWOBVRZSBLW-IXDOHACOSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001360570265 1070741860 /nfs/dbraw/zinc/74/18/60/1070741860.db2.gz LUEGWOBVRZSBLW-ZACQAIPSSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001360570265 1070741851 /nfs/dbraw/zinc/74/18/51/1070741851.db2.gz LUEGWOBVRZSBLW-ZACQAIPSSA-N 2 1 457.601 -0.918 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001360571338 1070742086 /nfs/dbraw/zinc/74/20/86/1070742086.db2.gz UPGLULCYEPHEOY-CEXWTWQISA-N 2 1 485.655 -0.280 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001360571339 1070741964 /nfs/dbraw/zinc/74/19/64/1070741964.db2.gz UPGLULCYEPHEOY-GUDVDZBRSA-N 2 1 485.655 -0.280 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001360571340 1070741704 /nfs/dbraw/zinc/74/17/04/1070741704.db2.gz UPGLULCYEPHEOY-QRVBRYPASA-N 2 1 485.655 -0.280 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001360571341 1070742803 /nfs/dbraw/zinc/74/28/03/1070742803.db2.gz UPGLULCYEPHEOY-QYZOEREBSA-N 2 1 485.655 -0.280 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360702244 1070758134 /nfs/dbraw/zinc/75/81/34/1070758134.db2.gz AMCHWMWCPOGLTD-DBXWQHBBSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360702245 1070757864 /nfs/dbraw/zinc/75/78/64/1070757864.db2.gz AMCHWMWCPOGLTD-OPYAIIAOSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360702246 1070757958 /nfs/dbraw/zinc/75/79/58/1070757958.db2.gz AMCHWMWCPOGLTD-UEXGIBASSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360702247 1070758322 /nfs/dbraw/zinc/75/83/22/1070758322.db2.gz AMCHWMWCPOGLTD-WAOWUJCRSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001360704381 1070761359 /nfs/dbraw/zinc/76/13/59/1070761359.db2.gz ZLAXSPGHEWPUBR-IBGZPJMESA-N 2 1 494.666 -0.105 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001360704384 1070761491 /nfs/dbraw/zinc/76/14/91/1070761491.db2.gz ZLAXSPGHEWPUBR-LJQANCHMSA-N 2 1 494.666 -0.105 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001360708977 1070767544 /nfs/dbraw/zinc/76/75/44/1070767544.db2.gz HGJJNPZLPTVTLY-MSOLQXFVSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001360708977 1070767539 /nfs/dbraw/zinc/76/75/39/1070767539.db2.gz HGJJNPZLPTVTLY-MSOLQXFVSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001360708978 1070767419 /nfs/dbraw/zinc/76/74/19/1070767419.db2.gz HGJJNPZLPTVTLY-QZTJIDSGSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001360708978 1070767411 /nfs/dbraw/zinc/76/74/11/1070767411.db2.gz HGJJNPZLPTVTLY-QZTJIDSGSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001360708979 1070767569 /nfs/dbraw/zinc/76/75/69/1070767569.db2.gz HGJJNPZLPTVTLY-ROUUACIJSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001360708979 1070767559 /nfs/dbraw/zinc/76/75/59/1070767559.db2.gz HGJJNPZLPTVTLY-ROUUACIJSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001360708980 1070767516 /nfs/dbraw/zinc/76/75/16/1070767516.db2.gz HGJJNPZLPTVTLY-ZWKOTPCHSA-N 2 1 485.655 -0.356 20 0 JBADMP CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001360708980 1070767510 /nfs/dbraw/zinc/76/75/10/1070767510.db2.gz HGJJNPZLPTVTLY-ZWKOTPCHSA-N 2 1 485.655 -0.356 20 0 JBADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC001459837132 1070841823 /nfs/dbraw/zinc/84/18/23/1070841823.db2.gz VMVFINHPKWCECW-UHFFFAOYSA-N 2 1 454.593 -0.458 20 0 JBADMP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)(N2CCOCC2)CC1 ZINC001469009590 1068239243 /nfs/dbraw/zinc/23/92/43/1068239243.db2.gz XQAXPTZVQKINJF-FQEVSTJZSA-N 2 1 451.612 -0.388 20 0 JBADMP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)(N2CCOCC2)CC1 ZINC001469009591 1068239311 /nfs/dbraw/zinc/23/93/11/1068239311.db2.gz XQAXPTZVQKINJF-HXUWFJFHSA-N 2 1 451.612 -0.388 20 0 JBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC001470774286 1068246029 /nfs/dbraw/zinc/24/60/29/1068246029.db2.gz ZFEFHPSBIOQZGG-HNNXBMFYSA-N 2 1 458.585 -0.334 20 0 JBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC001470774286 1068246023 /nfs/dbraw/zinc/24/60/23/1068246023.db2.gz ZFEFHPSBIOQZGG-HNNXBMFYSA-N 2 1 458.585 -0.334 20 0 JBADMP CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276572 1068336163 /nfs/dbraw/zinc/33/61/63/1068336163.db2.gz TXMBNRJQYUDNGQ-MOPGFXCFSA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276572 1068336143 /nfs/dbraw/zinc/33/61/43/1068336143.db2.gz TXMBNRJQYUDNGQ-MOPGFXCFSA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276573 1068336739 /nfs/dbraw/zinc/33/67/39/1068336739.db2.gz TXMBNRJQYUDNGQ-OALUTQOASA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276573 1068336721 /nfs/dbraw/zinc/33/67/21/1068336721.db2.gz TXMBNRJQYUDNGQ-OALUTQOASA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276574 1068336637 /nfs/dbraw/zinc/33/66/37/1068336637.db2.gz TXMBNRJQYUDNGQ-RBUKOAKNSA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276574 1068336624 /nfs/dbraw/zinc/33/66/24/1068336624.db2.gz TXMBNRJQYUDNGQ-RBUKOAKNSA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276575 1068336226 /nfs/dbraw/zinc/33/62/26/1068336226.db2.gz TXMBNRJQYUDNGQ-RTBURBONSA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502276575 1068336208 /nfs/dbraw/zinc/33/62/08/1068336208.db2.gz TXMBNRJQYUDNGQ-RTBURBONSA-N 2 1 485.655 -0.279 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001502326739 1068339426 /nfs/dbraw/zinc/33/94/26/1068339426.db2.gz BKFNRIOWKMEHAZ-MSOLQXFVSA-N 2 1 473.644 -0.280 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001502326740 1068339334 /nfs/dbraw/zinc/33/93/34/1068339334.db2.gz BKFNRIOWKMEHAZ-QZTJIDSGSA-N 2 1 473.644 -0.280 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001502326741 1068339608 /nfs/dbraw/zinc/33/96/08/1068339608.db2.gz BKFNRIOWKMEHAZ-ROUUACIJSA-N 2 1 473.644 -0.280 20 0 JBADMP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001502326742 1068340019 /nfs/dbraw/zinc/34/00/19/1068340019.db2.gz BKFNRIOWKMEHAZ-ZWKOTPCHSA-N 2 1 473.644 -0.280 20 0 JBADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001502336128 1068342729 /nfs/dbraw/zinc/34/27/29/1068342729.db2.gz VOTRGAZGGKDOBP-AQNXPRMDSA-N 2 1 498.698 -0.223 20 0 JBADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001502336133 1068343069 /nfs/dbraw/zinc/34/30/69/1068343069.db2.gz VOTRGAZGGKDOBP-VAMGGRTRSA-N 2 1 498.698 -0.223 20 0 JBADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001502336134 1068343002 /nfs/dbraw/zinc/34/30/02/1068343002.db2.gz VOTRGAZGGKDOBP-XUVXKRRUSA-N 2 1 498.698 -0.223 20 0 JBADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001502336135 1068342657 /nfs/dbraw/zinc/34/26/57/1068342657.db2.gz VOTRGAZGGKDOBP-ZCNNSNEGSA-N 2 1 498.698 -0.223 20 0 JBADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001508268964 1068552119 /nfs/dbraw/zinc/55/21/19/1068552119.db2.gz IMYKTFQKHIBRKO-DFQSSKMNSA-N 2 1 476.626 -0.204 20 0 JBADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001508268968 1068552371 /nfs/dbraw/zinc/55/23/71/1068552371.db2.gz IMYKTFQKHIBRKO-MISYRCLQSA-N 2 1 476.626 -0.204 20 0 JBADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001508268972 1068552397 /nfs/dbraw/zinc/55/23/97/1068552397.db2.gz IMYKTFQKHIBRKO-YSIASYRMSA-N 2 1 476.626 -0.204 20 0 JBADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001508268974 1068552254 /nfs/dbraw/zinc/55/22/54/1068552254.db2.gz IMYKTFQKHIBRKO-YZGWKJHDSA-N 2 1 476.626 -0.204 20 0 JBADMP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433348 1068573957 /nfs/dbraw/zinc/57/39/57/1068573957.db2.gz XBYLUKGPXNEMEP-GHTZIAJQSA-N 2 1 485.655 -0.544 20 0 JBADMP CC(C)C[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433357 1068574069 /nfs/dbraw/zinc/57/40/69/1068574069.db2.gz XBYLUKGPXNEMEP-NQIIRXRSSA-N 2 1 485.655 -0.544 20 0 JBADMP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433358 1068573797 /nfs/dbraw/zinc/57/37/97/1068573797.db2.gz XBYLUKGPXNEMEP-RXVVDRJESA-N 2 1 485.655 -0.544 20 0 JBADMP CC(C)C[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509433360 1068573666 /nfs/dbraw/zinc/57/36/66/1068573666.db2.gz XBYLUKGPXNEMEP-WIYYLYMNSA-N 2 1 485.655 -0.544 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001510215300 1068620007 /nfs/dbraw/zinc/62/00/07/1068620007.db2.gz SIVUZJSYJWKKHH-ABSDTBQOSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001510215300 1068619993 /nfs/dbraw/zinc/61/99/93/1068619993.db2.gz SIVUZJSYJWKKHH-ABSDTBQOSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001510215301 1068620150 /nfs/dbraw/zinc/62/01/50/1068620150.db2.gz SIVUZJSYJWKKHH-QKLQHJQFSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001510215301 1068620147 /nfs/dbraw/zinc/62/01/47/1068620147.db2.gz SIVUZJSYJWKKHH-QKLQHJQFSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001510215304 1068620071 /nfs/dbraw/zinc/62/00/71/1068620071.db2.gz SIVUZJSYJWKKHH-SQGPQFPESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001510215304 1068620066 /nfs/dbraw/zinc/62/00/66/1068620066.db2.gz SIVUZJSYJWKKHH-SQGPQFPESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001510215309 1068620096 /nfs/dbraw/zinc/62/00/96/1068620096.db2.gz SIVUZJSYJWKKHH-ZWOKBUDYSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001510215309 1068620092 /nfs/dbraw/zinc/62/00/92/1068620092.db2.gz SIVUZJSYJWKKHH-ZWOKBUDYSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226463 1068627683 /nfs/dbraw/zinc/62/76/83/1068627683.db2.gz XDWPCHQUHOPZLF-MSOLQXFVSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226463 1068627677 /nfs/dbraw/zinc/62/76/77/1068627677.db2.gz XDWPCHQUHOPZLF-MSOLQXFVSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001510226463 1068627672 /nfs/dbraw/zinc/62/76/72/1068627672.db2.gz XDWPCHQUHOPZLF-MSOLQXFVSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510226463 1068627665 /nfs/dbraw/zinc/62/76/65/1068627665.db2.gz XDWPCHQUHOPZLF-MSOLQXFVSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226471 1068627828 /nfs/dbraw/zinc/62/78/28/1068627828.db2.gz XDWPCHQUHOPZLF-QZTJIDSGSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226471 1068627823 /nfs/dbraw/zinc/62/78/23/1068627823.db2.gz XDWPCHQUHOPZLF-QZTJIDSGSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001510226471 1068627816 /nfs/dbraw/zinc/62/78/16/1068627816.db2.gz XDWPCHQUHOPZLF-QZTJIDSGSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510226471 1068627812 /nfs/dbraw/zinc/62/78/12/1068627812.db2.gz XDWPCHQUHOPZLF-QZTJIDSGSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226479 1068627783 /nfs/dbraw/zinc/62/77/83/1068627783.db2.gz XDWPCHQUHOPZLF-ROUUACIJSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226479 1068627774 /nfs/dbraw/zinc/62/77/74/1068627774.db2.gz XDWPCHQUHOPZLF-ROUUACIJSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001510226479 1068627765 /nfs/dbraw/zinc/62/77/65/1068627765.db2.gz XDWPCHQUHOPZLF-ROUUACIJSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510226479 1068627756 /nfs/dbraw/zinc/62/77/56/1068627756.db2.gz XDWPCHQUHOPZLF-ROUUACIJSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226489 1068627714 /nfs/dbraw/zinc/62/77/14/1068627714.db2.gz XDWPCHQUHOPZLF-ZWKOTPCHSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001510226489 1068627709 /nfs/dbraw/zinc/62/77/09/1068627709.db2.gz XDWPCHQUHOPZLF-ZWKOTPCHSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001510226489 1068627708 /nfs/dbraw/zinc/62/77/08/1068627708.db2.gz XDWPCHQUHOPZLF-ZWKOTPCHSA-N 2 1 484.671 -0.565 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510226489 1068627703 /nfs/dbraw/zinc/62/77/03/1068627703.db2.gz XDWPCHQUHOPZLF-ZWKOTPCHSA-N 2 1 484.671 -0.565 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515488198 1068688065 /nfs/dbraw/zinc/68/80/65/1068688065.db2.gz JKWFFCQLJJXYMD-DEOSSOPVSA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001515488198 1068688053 /nfs/dbraw/zinc/68/80/53/1068688053.db2.gz JKWFFCQLJJXYMD-DEOSSOPVSA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001515488198 1068688049 /nfs/dbraw/zinc/68/80/49/1068688049.db2.gz JKWFFCQLJJXYMD-DEOSSOPVSA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001515488198 1068688043 /nfs/dbraw/zinc/68/80/43/1068688043.db2.gz JKWFFCQLJJXYMD-DEOSSOPVSA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515488201 1068688127 /nfs/dbraw/zinc/68/81/27/1068688127.db2.gz JKWFFCQLJJXYMD-XMMPIXPASA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001515488201 1068688124 /nfs/dbraw/zinc/68/81/24/1068688124.db2.gz JKWFFCQLJJXYMD-XMMPIXPASA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001515488201 1068688118 /nfs/dbraw/zinc/68/81/18/1068688118.db2.gz JKWFFCQLJJXYMD-XMMPIXPASA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001515488201 1068688109 /nfs/dbraw/zinc/68/81/09/1068688109.db2.gz JKWFFCQLJJXYMD-XMMPIXPASA-N 2 1 490.653 -0.152 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515488413 1068688822 /nfs/dbraw/zinc/68/88/22/1068688822.db2.gz DDOIRZWOXBBDPV-FDDCHVKYSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001515488413 1068688819 /nfs/dbraw/zinc/68/88/19/1068688819.db2.gz DDOIRZWOXBBDPV-FDDCHVKYSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001515488413 1068688810 /nfs/dbraw/zinc/68/88/10/1068688810.db2.gz DDOIRZWOXBBDPV-FDDCHVKYSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001515488413 1068688803 /nfs/dbraw/zinc/68/88/03/1068688803.db2.gz DDOIRZWOXBBDPV-FDDCHVKYSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515488414 1068688785 /nfs/dbraw/zinc/68/87/85/1068688785.db2.gz DDOIRZWOXBBDPV-JPYJTQIMSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001515488414 1068688777 /nfs/dbraw/zinc/68/87/77/1068688777.db2.gz DDOIRZWOXBBDPV-JPYJTQIMSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001515488414 1068688773 /nfs/dbraw/zinc/68/87/73/1068688773.db2.gz DDOIRZWOXBBDPV-JPYJTQIMSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001515488414 1068688769 /nfs/dbraw/zinc/68/87/69/1068688769.db2.gz DDOIRZWOXBBDPV-JPYJTQIMSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515488415 1068688679 /nfs/dbraw/zinc/68/86/79/1068688679.db2.gz DDOIRZWOXBBDPV-MBSDFSHPSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001515488415 1068688674 /nfs/dbraw/zinc/68/86/74/1068688674.db2.gz DDOIRZWOXBBDPV-MBSDFSHPSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001515488415 1068688664 /nfs/dbraw/zinc/68/86/64/1068688664.db2.gz DDOIRZWOXBBDPV-MBSDFSHPSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001515488415 1068688656 /nfs/dbraw/zinc/68/86/56/1068688656.db2.gz DDOIRZWOXBBDPV-MBSDFSHPSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515488416 1068688520 /nfs/dbraw/zinc/68/85/20/1068688520.db2.gz DDOIRZWOXBBDPV-WZONZLPQSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001515488416 1068688508 /nfs/dbraw/zinc/68/85/08/1068688508.db2.gz DDOIRZWOXBBDPV-WZONZLPQSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001515488416 1068688504 /nfs/dbraw/zinc/68/85/04/1068688504.db2.gz DDOIRZWOXBBDPV-WZONZLPQSA-N 2 1 476.626 -0.324 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001515488416 1068688495 /nfs/dbraw/zinc/68/84/95/1068688495.db2.gz DDOIRZWOXBBDPV-WZONZLPQSA-N 2 1 476.626 -0.324 20 0 JBADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515557178 1068689435 /nfs/dbraw/zinc/68/94/35/1068689435.db2.gz ULSSZBXWOVGASO-DENIHFKCSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515557180 1068689526 /nfs/dbraw/zinc/68/95/26/1068689526.db2.gz ULSSZBXWOVGASO-KNQAVFIVSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515557182 1068689479 /nfs/dbraw/zinc/68/94/79/1068689479.db2.gz ULSSZBXWOVGASO-SIKLNZKXSA-N 2 1 499.682 -0.012 20 0 JBADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001515557185 1068689448 /nfs/dbraw/zinc/68/94/48/1068689448.db2.gz ULSSZBXWOVGASO-UGKGYDQZSA-N 2 1 499.682 -0.012 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001519119492 1068839471 /nfs/dbraw/zinc/83/94/71/1068839471.db2.gz YASKOGAIEKUTEQ-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001519119492 1068839447 /nfs/dbraw/zinc/83/94/47/1068839447.db2.gz YASKOGAIEKUTEQ-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001519119492 1068839436 /nfs/dbraw/zinc/83/94/36/1068839436.db2.gz YASKOGAIEKUTEQ-FHWLQOOXSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001519119505 1068838938 /nfs/dbraw/zinc/83/89/38/1068838938.db2.gz YASKOGAIEKUTEQ-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001519119505 1068838919 /nfs/dbraw/zinc/83/89/19/1068838919.db2.gz YASKOGAIEKUTEQ-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001519119505 1068838902 /nfs/dbraw/zinc/83/89/02/1068838902.db2.gz YASKOGAIEKUTEQ-OTWHNJEPSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001519119511 1068839243 /nfs/dbraw/zinc/83/92/43/1068839243.db2.gz YASKOGAIEKUTEQ-QRVBRYPASA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001519119511 1068839224 /nfs/dbraw/zinc/83/92/24/1068839224.db2.gz YASKOGAIEKUTEQ-QRVBRYPASA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001519119511 1068839201 /nfs/dbraw/zinc/83/92/01/1068839201.db2.gz YASKOGAIEKUTEQ-QRVBRYPASA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001519119516 1068839975 /nfs/dbraw/zinc/83/99/75/1068839975.db2.gz YASKOGAIEKUTEQ-QYZOEREBSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001519119516 1068839964 /nfs/dbraw/zinc/83/99/64/1068839964.db2.gz YASKOGAIEKUTEQ-QYZOEREBSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001519119516 1068839952 /nfs/dbraw/zinc/83/99/52/1068839952.db2.gz YASKOGAIEKUTEQ-QYZOEREBSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001519221463 1068848009 /nfs/dbraw/zinc/84/80/09/1068848009.db2.gz PAZWQYAZUPWCRI-BZSNNMDCSA-N 2 1 473.644 -0.282 20 0 JBADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001519221464 1068848123 /nfs/dbraw/zinc/84/81/23/1068848123.db2.gz PAZWQYAZUPWCRI-KSZLIROESA-N 2 1 473.644 -0.282 20 0 JBADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001519221465 1068847723 /nfs/dbraw/zinc/84/77/23/1068847723.db2.gz PAZWQYAZUPWCRI-KURKYZTESA-N 2 1 473.644 -0.282 20 0 JBADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001519221466 1068847945 /nfs/dbraw/zinc/84/79/45/1068847945.db2.gz PAZWQYAZUPWCRI-SQNIBIBYSA-N 2 1 473.644 -0.282 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)C1 ZINC001541567424 1068941315 /nfs/dbraw/zinc/94/13/15/1068941315.db2.gz BGYQFPPAQVRGLE-FHWLQOOXSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)C1 ZINC001541567424 1068941310 /nfs/dbraw/zinc/94/13/10/1068941310.db2.gz BGYQFPPAQVRGLE-FHWLQOOXSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001541567424 1068941305 /nfs/dbraw/zinc/94/13/05/1068941305.db2.gz BGYQFPPAQVRGLE-FHWLQOOXSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001541567424 1068941301 /nfs/dbraw/zinc/94/13/01/1068941301.db2.gz BGYQFPPAQVRGLE-FHWLQOOXSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)C1 ZINC001541567425 1068941136 /nfs/dbraw/zinc/94/11/36/1068941136.db2.gz BGYQFPPAQVRGLE-OTWHNJEPSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)C1 ZINC001541567425 1068941131 /nfs/dbraw/zinc/94/11/31/1068941131.db2.gz BGYQFPPAQVRGLE-OTWHNJEPSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001541567425 1068941128 /nfs/dbraw/zinc/94/11/28/1068941128.db2.gz BGYQFPPAQVRGLE-OTWHNJEPSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001541567425 1068941121 /nfs/dbraw/zinc/94/11/21/1068941121.db2.gz BGYQFPPAQVRGLE-OTWHNJEPSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)C1 ZINC001541567426 1068941218 /nfs/dbraw/zinc/94/12/18/1068941218.db2.gz BGYQFPPAQVRGLE-QRVBRYPASA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)C1 ZINC001541567426 1068941214 /nfs/dbraw/zinc/94/12/14/1068941214.db2.gz BGYQFPPAQVRGLE-QRVBRYPASA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001541567426 1068941211 /nfs/dbraw/zinc/94/12/11/1068941211.db2.gz BGYQFPPAQVRGLE-QRVBRYPASA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@H]3C2)C1 ZINC001541567426 1068941210 /nfs/dbraw/zinc/94/12/10/1068941210.db2.gz BGYQFPPAQVRGLE-QRVBRYPASA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)C1 ZINC001541567427 1068941370 /nfs/dbraw/zinc/94/13/70/1068941370.db2.gz BGYQFPPAQVRGLE-QYZOEREBSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[NH+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)C1 ZINC001541567427 1068941368 /nfs/dbraw/zinc/94/13/68/1068941368.db2.gz BGYQFPPAQVRGLE-QYZOEREBSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001541567427 1068941367 /nfs/dbraw/zinc/94/13/67/1068941367.db2.gz BGYQFPPAQVRGLE-QYZOEREBSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+]3CCOC[C@@H]3C2)C1 ZINC001541567427 1068941363 /nfs/dbraw/zinc/94/13/63/1068941363.db2.gz BGYQFPPAQVRGLE-QYZOEREBSA-N 2 1 485.655 -0.234 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001541671390 1068947707 /nfs/dbraw/zinc/94/77/07/1068947707.db2.gz ZXUBFEDXJVLCTO-JOCHJYFZSA-N 2 1 459.599 -0.071 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001541671390 1068947697 /nfs/dbraw/zinc/94/76/97/1068947697.db2.gz ZXUBFEDXJVLCTO-JOCHJYFZSA-N 2 1 459.599 -0.071 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541671390 1068947695 /nfs/dbraw/zinc/94/76/95/1068947695.db2.gz ZXUBFEDXJVLCTO-JOCHJYFZSA-N 2 1 459.599 -0.071 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001541671391 1068947546 /nfs/dbraw/zinc/94/75/46/1068947546.db2.gz ZXUBFEDXJVLCTO-QFIPXVFZSA-N 2 1 459.599 -0.071 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001541671391 1068947543 /nfs/dbraw/zinc/94/75/43/1068947543.db2.gz ZXUBFEDXJVLCTO-QFIPXVFZSA-N 2 1 459.599 -0.071 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541671391 1068947538 /nfs/dbraw/zinc/94/75/38/1068947538.db2.gz ZXUBFEDXJVLCTO-QFIPXVFZSA-N 2 1 459.599 -0.071 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001541672096 1068948695 /nfs/dbraw/zinc/94/86/95/1068948695.db2.gz AKUUNNPTEFGZDA-GOSISDBHSA-N 2 1 464.615 -0.263 20 0 JBADMP CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001541672097 1068948790 /nfs/dbraw/zinc/94/87/90/1068948790.db2.gz AKUUNNPTEFGZDA-SFHVURJKSA-N 2 1 464.615 -0.263 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541922753 1068964622 /nfs/dbraw/zinc/96/46/22/1068964622.db2.gz NMOOLVRWXSTMOX-DBVUQKKJSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541922753 1068964618 /nfs/dbraw/zinc/96/46/18/1068964618.db2.gz NMOOLVRWXSTMOX-DBVUQKKJSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541922754 1068964557 /nfs/dbraw/zinc/96/45/57/1068964557.db2.gz NMOOLVRWXSTMOX-FFZOFVMBSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541922754 1068964552 /nfs/dbraw/zinc/96/45/52/1068964552.db2.gz NMOOLVRWXSTMOX-FFZOFVMBSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541922755 1068964758 /nfs/dbraw/zinc/96/47/58/1068964758.db2.gz NMOOLVRWXSTMOX-PWIZWCRZSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541922755 1068964756 /nfs/dbraw/zinc/96/47/56/1068964756.db2.gz NMOOLVRWXSTMOX-PWIZWCRZSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541922756 1068964789 /nfs/dbraw/zinc/96/47/89/1068964789.db2.gz NMOOLVRWXSTMOX-VDGAXYAQSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541922756 1068964787 /nfs/dbraw/zinc/96/47/87/1068964787.db2.gz NMOOLVRWXSTMOX-VDGAXYAQSA-N 2 1 471.628 -0.744 20 0 JBADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547185736 1069026109 /nfs/dbraw/zinc/02/61/09/1069026109.db2.gz SAAJTTDGTWDZIM-DENIHFKCSA-N 2 1 499.682 -0.012 20 0 JBADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547185737 1069026608 /nfs/dbraw/zinc/02/66/08/1069026608.db2.gz SAAJTTDGTWDZIM-KNQAVFIVSA-N 2 1 499.682 -0.012 20 0 JBADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547185738 1069026443 /nfs/dbraw/zinc/02/64/43/1069026443.db2.gz SAAJTTDGTWDZIM-SIKLNZKXSA-N 2 1 499.682 -0.012 20 0 JBADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001547185739 1069026702 /nfs/dbraw/zinc/02/67/02/1069026702.db2.gz SAAJTTDGTWDZIM-UGKGYDQZSA-N 2 1 499.682 -0.012 20 0 JBADMP COCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555523839 1069205982 /nfs/dbraw/zinc/20/59/82/1069205982.db2.gz MWNVTEVWRPPMQZ-IBGZPJMESA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555523839 1069205976 /nfs/dbraw/zinc/20/59/76/1069205976.db2.gz MWNVTEVWRPPMQZ-IBGZPJMESA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555523839 1069205969 /nfs/dbraw/zinc/20/59/69/1069205969.db2.gz MWNVTEVWRPPMQZ-IBGZPJMESA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555523840 1069206253 /nfs/dbraw/zinc/20/62/53/1069206253.db2.gz MWNVTEVWRPPMQZ-LJQANCHMSA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555523840 1069206244 /nfs/dbraw/zinc/20/62/44/1069206244.db2.gz MWNVTEVWRPPMQZ-LJQANCHMSA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555523840 1069206240 /nfs/dbraw/zinc/20/62/40/1069206240.db2.gz MWNVTEVWRPPMQZ-LJQANCHMSA-N 2 1 476.626 -0.165 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001555526877 1069205904 /nfs/dbraw/zinc/20/59/04/1069205904.db2.gz IGZFHULIFARXMW-GOSISDBHSA-N 2 1 462.599 -0.448 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001555526878 1069206054 /nfs/dbraw/zinc/20/60/54/1069206054.db2.gz IGZFHULIFARXMW-SFHVURJKSA-N 2 1 462.599 -0.448 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001555526948 1069205942 /nfs/dbraw/zinc/20/59/42/1069205942.db2.gz ATOIFVZRZBPFME-IBGZPJMESA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001555526949 1069206179 /nfs/dbraw/zinc/20/61/79/1069206179.db2.gz ATOIFVZRZBPFME-LJQANCHMSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555528518 1069206871 /nfs/dbraw/zinc/20/68/71/1069206871.db2.gz VBZGLGKDQFEYME-MOPGFXCFSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555528518 1069206864 /nfs/dbraw/zinc/20/68/64/1069206864.db2.gz VBZGLGKDQFEYME-MOPGFXCFSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555528518 1069206852 /nfs/dbraw/zinc/20/68/52/1069206852.db2.gz VBZGLGKDQFEYME-MOPGFXCFSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555528518 1069206844 /nfs/dbraw/zinc/20/68/44/1069206844.db2.gz VBZGLGKDQFEYME-MOPGFXCFSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001555528519 1069207162 /nfs/dbraw/zinc/20/71/62/1069207162.db2.gz VBZGLGKDQFEYME-OALUTQOASA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001555528519 1069207153 /nfs/dbraw/zinc/20/71/53/1069207153.db2.gz VBZGLGKDQFEYME-OALUTQOASA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555528519 1069207144 /nfs/dbraw/zinc/20/71/44/1069207144.db2.gz VBZGLGKDQFEYME-OALUTQOASA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001555528519 1069207135 /nfs/dbraw/zinc/20/71/35/1069207135.db2.gz VBZGLGKDQFEYME-OALUTQOASA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555528520 1069206946 /nfs/dbraw/zinc/20/69/46/1069206946.db2.gz VBZGLGKDQFEYME-RBUKOAKNSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555528520 1069206934 /nfs/dbraw/zinc/20/69/34/1069206934.db2.gz VBZGLGKDQFEYME-RBUKOAKNSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555528520 1069206924 /nfs/dbraw/zinc/20/69/24/1069206924.db2.gz VBZGLGKDQFEYME-RBUKOAKNSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555528520 1069206911 /nfs/dbraw/zinc/20/69/11/1069206911.db2.gz VBZGLGKDQFEYME-RBUKOAKNSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001555528521 1069207706 /nfs/dbraw/zinc/20/77/06/1069207706.db2.gz VBZGLGKDQFEYME-RTBURBONSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001555528521 1069207696 /nfs/dbraw/zinc/20/76/96/1069207696.db2.gz VBZGLGKDQFEYME-RTBURBONSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555528521 1069207683 /nfs/dbraw/zinc/20/76/83/1069207683.db2.gz VBZGLGKDQFEYME-RTBURBONSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001555528521 1069207676 /nfs/dbraw/zinc/20/76/76/1069207676.db2.gz VBZGLGKDQFEYME-RTBURBONSA-N 2 1 497.666 -0.499 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001555589133 1069213315 /nfs/dbraw/zinc/21/33/15/1069213315.db2.gz DLVHIRPKRHOMEP-IBGZPJMESA-N 2 1 485.655 -0.135 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001555589136 1069213376 /nfs/dbraw/zinc/21/33/76/1069213376.db2.gz DLVHIRPKRHOMEP-LJQANCHMSA-N 2 1 485.655 -0.135 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001555590869 1069213248 /nfs/dbraw/zinc/21/32/48/1069213248.db2.gz MYORAJXDKSHNCL-HKUYNNGSSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001555590869 1069213238 /nfs/dbraw/zinc/21/32/38/1069213238.db2.gz MYORAJXDKSHNCL-HKUYNNGSSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001555590870 1069213198 /nfs/dbraw/zinc/21/31/98/1069213198.db2.gz MYORAJXDKSHNCL-IEBWSBKVSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001555590870 1069213186 /nfs/dbraw/zinc/21/31/86/1069213186.db2.gz MYORAJXDKSHNCL-IEBWSBKVSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001555590871 1069213409 /nfs/dbraw/zinc/21/34/09/1069213409.db2.gz MYORAJXDKSHNCL-MJGOQNOKSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001555590871 1069213400 /nfs/dbraw/zinc/21/34/00/1069213400.db2.gz MYORAJXDKSHNCL-MJGOQNOKSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001555590872 1069213468 /nfs/dbraw/zinc/21/34/68/1069213468.db2.gz MYORAJXDKSHNCL-PKOBYXMFSA-N 2 1 485.655 -0.138 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001555590872 1069213462 /nfs/dbraw/zinc/21/34/62/1069213462.db2.gz MYORAJXDKSHNCL-PKOBYXMFSA-N 2 1 485.655 -0.138 20 0 JBADMP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCOCC2)CC1 ZINC001608146878 1069372923 /nfs/dbraw/zinc/37/29/23/1069372923.db2.gz VVZYSTCSXOMKFT-IBGZPJMESA-N 2 1 485.655 -0.136 20 0 JBADMP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCOCC2)CC1 ZINC001608146879 1069373049 /nfs/dbraw/zinc/37/30/49/1069373049.db2.gz VVZYSTCSXOMKFT-LJQANCHMSA-N 2 1 485.655 -0.136 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001611584787 1069395328 /nfs/dbraw/zinc/39/53/28/1069395328.db2.gz OVQTYXAMIGUBIC-CEXWTWQISA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001611584788 1069395429 /nfs/dbraw/zinc/39/54/29/1069395429.db2.gz OVQTYXAMIGUBIC-GUDVDZBRSA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001611584789 1069395118 /nfs/dbraw/zinc/39/51/18/1069395118.db2.gz OVQTYXAMIGUBIC-QRVBRYPASA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001611584790 1069395090 /nfs/dbraw/zinc/39/50/90/1069395090.db2.gz OVQTYXAMIGUBIC-QYZOEREBSA-N 2 1 485.655 -0.138 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611702439 1069410632 /nfs/dbraw/zinc/41/06/32/1069410632.db2.gz AMCHWMWCPOGLTD-BBTUJRGHSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611702440 1069410698 /nfs/dbraw/zinc/41/06/98/1069410698.db2.gz AMCHWMWCPOGLTD-LQWHRVPQSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611702441 1069410548 /nfs/dbraw/zinc/41/05/48/1069410548.db2.gz AMCHWMWCPOGLTD-LVCYWYKZSA-N 2 1 485.655 -0.497 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611702442 1069410397 /nfs/dbraw/zinc/41/03/97/1069410397.db2.gz AMCHWMWCPOGLTD-WFXMLNOXSA-N 2 1 485.655 -0.497 20 0 JBADMP CC(C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001611704491 1069413823 /nfs/dbraw/zinc/41/38/23/1069413823.db2.gz CCXGKVQCQJXMKQ-GOSISDBHSA-N 2 1 484.671 -0.027 20 0 JBADMP CC(C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001611704492 1069413773 /nfs/dbraw/zinc/41/37/73/1069413773.db2.gz CCXGKVQCQJXMKQ-SFHVURJKSA-N 2 1 484.671 -0.027 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001611709891 1069421171 /nfs/dbraw/zinc/42/11/71/1069421171.db2.gz ZFXRSJAOKNJHTH-CSODHUTKSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001611709891 1069421163 /nfs/dbraw/zinc/42/11/63/1069421163.db2.gz ZFXRSJAOKNJHTH-CSODHUTKSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611709891 1069421157 /nfs/dbraw/zinc/42/11/57/1069421157.db2.gz ZFXRSJAOKNJHTH-CSODHUTKSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001611709892 1069421240 /nfs/dbraw/zinc/42/12/40/1069421240.db2.gz ZFXRSJAOKNJHTH-FIKGOQFSSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001611709892 1069421235 /nfs/dbraw/zinc/42/12/35/1069421235.db2.gz ZFXRSJAOKNJHTH-FIKGOQFSSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611709892 1069421229 /nfs/dbraw/zinc/42/12/29/1069421229.db2.gz ZFXRSJAOKNJHTH-FIKGOQFSSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001611709893 1069421370 /nfs/dbraw/zinc/42/13/70/1069421370.db2.gz ZFXRSJAOKNJHTH-FVJLSDCUSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001611709893 1069421364 /nfs/dbraw/zinc/42/13/64/1069421364.db2.gz ZFXRSJAOKNJHTH-FVJLSDCUSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611709893 1069421361 /nfs/dbraw/zinc/42/13/61/1069421361.db2.gz ZFXRSJAOKNJHTH-FVJLSDCUSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001611709894 1069421418 /nfs/dbraw/zinc/42/14/18/1069421418.db2.gz ZFXRSJAOKNJHTH-XGHQBKJUSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001611709894 1069421412 /nfs/dbraw/zinc/42/14/12/1069421412.db2.gz ZFXRSJAOKNJHTH-XGHQBKJUSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611709894 1069421406 /nfs/dbraw/zinc/42/14/06/1069421406.db2.gz ZFXRSJAOKNJHTH-XGHQBKJUSA-N 2 1 485.655 -0.356 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001611710783 1069422562 /nfs/dbraw/zinc/42/25/62/1069422562.db2.gz FIMOOTGZPXXTQY-FHWLQOOXSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001611710783 1069422554 /nfs/dbraw/zinc/42/25/54/1069422554.db2.gz FIMOOTGZPXXTQY-FHWLQOOXSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001611710783 1069422540 /nfs/dbraw/zinc/42/25/40/1069422540.db2.gz FIMOOTGZPXXTQY-FHWLQOOXSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001611710783 1069422530 /nfs/dbraw/zinc/42/25/30/1069422530.db2.gz FIMOOTGZPXXTQY-FHWLQOOXSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001611710784 1069422447 /nfs/dbraw/zinc/42/24/47/1069422447.db2.gz FIMOOTGZPXXTQY-GBESFXJTSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCC[C@H]1CO ZINC001611710784 1069422438 /nfs/dbraw/zinc/42/24/38/1069422438.db2.gz FIMOOTGZPXXTQY-GBESFXJTSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001611710784 1069422431 /nfs/dbraw/zinc/42/24/31/1069422431.db2.gz FIMOOTGZPXXTQY-GBESFXJTSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001611710784 1069422419 /nfs/dbraw/zinc/42/24/19/1069422419.db2.gz FIMOOTGZPXXTQY-GBESFXJTSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001611710785 1069422817 /nfs/dbraw/zinc/42/28/17/1069422817.db2.gz FIMOOTGZPXXTQY-IPMKNSEASA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001611710785 1069422814 /nfs/dbraw/zinc/42/28/14/1069422814.db2.gz FIMOOTGZPXXTQY-IPMKNSEASA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001611710785 1069422807 /nfs/dbraw/zinc/42/28/07/1069422807.db2.gz FIMOOTGZPXXTQY-IPMKNSEASA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001611710785 1069422800 /nfs/dbraw/zinc/42/28/00/1069422800.db2.gz FIMOOTGZPXXTQY-IPMKNSEASA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001611710786 1069422695 /nfs/dbraw/zinc/42/26/95/1069422695.db2.gz FIMOOTGZPXXTQY-OTWHNJEPSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCC[C@@H]1CO ZINC001611710786 1069422684 /nfs/dbraw/zinc/42/26/84/1069422684.db2.gz FIMOOTGZPXXTQY-OTWHNJEPSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001611710786 1069422679 /nfs/dbraw/zinc/42/26/79/1069422679.db2.gz FIMOOTGZPXXTQY-OTWHNJEPSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001611710786 1069422674 /nfs/dbraw/zinc/42/26/74/1069422674.db2.gz FIMOOTGZPXXTQY-OTWHNJEPSA-N 2 1 485.655 -0.354 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711187 1069423262 /nfs/dbraw/zinc/42/32/62/1069423262.db2.gz KYPQWWHISYDJHM-DLBZAZTESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711187 1069423254 /nfs/dbraw/zinc/42/32/54/1069423254.db2.gz KYPQWWHISYDJHM-DLBZAZTESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711188 1069423203 /nfs/dbraw/zinc/42/32/03/1069423203.db2.gz KYPQWWHISYDJHM-IAGOWNOFSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711188 1069423198 /nfs/dbraw/zinc/42/31/98/1069423198.db2.gz KYPQWWHISYDJHM-IAGOWNOFSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711189 1069423278 /nfs/dbraw/zinc/42/32/78/1069423278.db2.gz KYPQWWHISYDJHM-IRXDYDNUSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711189 1069423273 /nfs/dbraw/zinc/42/32/73/1069423273.db2.gz KYPQWWHISYDJHM-IRXDYDNUSA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711190 1069423310 /nfs/dbraw/zinc/42/33/10/1069423310.db2.gz KYPQWWHISYDJHM-SJORKVTESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711190 1069423303 /nfs/dbraw/zinc/42/33/03/1069423303.db2.gz KYPQWWHISYDJHM-SJORKVTESA-N 2 1 471.628 -0.744 20 0 JBADMP C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001612951218 1069447899 /nfs/dbraw/zinc/44/78/99/1069447899.db2.gz NKGDOGDUFKGBJI-HCXYKTFWSA-N 2 1 485.655 -0.282 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001612951219 1069447964 /nfs/dbraw/zinc/44/79/64/1069447964.db2.gz NKGDOGDUFKGBJI-MKXGPGLRSA-N 2 1 485.655 -0.282 20 0 JBADMP C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001612951220 1069447888 /nfs/dbraw/zinc/44/78/88/1069447888.db2.gz NKGDOGDUFKGBJI-XWSJACJDSA-N 2 1 485.655 -0.282 20 0 JBADMP C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001612951221 1069448457 /nfs/dbraw/zinc/44/84/57/1069448457.db2.gz NKGDOGDUFKGBJI-YRXWBPOGSA-N 2 1 485.655 -0.282 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615324742 1069481616 /nfs/dbraw/zinc/48/16/16/1069481616.db2.gz OFIYXBGBLUTPCX-HSZRJFAPSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615324742 1069481614 /nfs/dbraw/zinc/48/16/14/1069481614.db2.gz OFIYXBGBLUTPCX-HSZRJFAPSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001615324742 1069481609 /nfs/dbraw/zinc/48/16/09/1069481609.db2.gz OFIYXBGBLUTPCX-HSZRJFAPSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001615324742 1069481605 /nfs/dbraw/zinc/48/16/05/1069481605.db2.gz OFIYXBGBLUTPCX-HSZRJFAPSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615324752 1069481570 /nfs/dbraw/zinc/48/15/70/1069481570.db2.gz OFIYXBGBLUTPCX-QHCPKHFHSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615324752 1069481566 /nfs/dbraw/zinc/48/15/66/1069481566.db2.gz OFIYXBGBLUTPCX-QHCPKHFHSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001615324752 1069481564 /nfs/dbraw/zinc/48/15/64/1069481564.db2.gz OFIYXBGBLUTPCX-QHCPKHFHSA-N 2 1 478.642 -0.137 20 0 JBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001615324752 1069481561 /nfs/dbraw/zinc/48/15/61/1069481561.db2.gz OFIYXBGBLUTPCX-QHCPKHFHSA-N 2 1 478.642 -0.137 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001615358573 1069483416 /nfs/dbraw/zinc/48/34/16/1069483416.db2.gz UDIYZVJSJAUWMV-CEXWTWQISA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001615358573 1069483410 /nfs/dbraw/zinc/48/34/10/1069483410.db2.gz UDIYZVJSJAUWMV-CEXWTWQISA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001615358574 1069483382 /nfs/dbraw/zinc/48/33/82/1069483382.db2.gz UDIYZVJSJAUWMV-GUDVDZBRSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001615358574 1069483379 /nfs/dbraw/zinc/48/33/79/1069483379.db2.gz UDIYZVJSJAUWMV-GUDVDZBRSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001615358575 1069483522 /nfs/dbraw/zinc/48/35/22/1069483522.db2.gz UDIYZVJSJAUWMV-QRVBRYPASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001615358575 1069483518 /nfs/dbraw/zinc/48/35/18/1069483518.db2.gz UDIYZVJSJAUWMV-QRVBRYPASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001615358576 1069483479 /nfs/dbraw/zinc/48/34/79/1069483479.db2.gz UDIYZVJSJAUWMV-QYZOEREBSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001615358576 1069483476 /nfs/dbraw/zinc/48/34/76/1069483476.db2.gz UDIYZVJSJAUWMV-QYZOEREBSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001615652335 1069488493 /nfs/dbraw/zinc/48/84/93/1069488493.db2.gz RVIPOUOSQHUZQX-MOPGFXCFSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001615652335 1069488488 /nfs/dbraw/zinc/48/84/88/1069488488.db2.gz RVIPOUOSQHUZQX-MOPGFXCFSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1)C(C)C ZINC001615652335 1069488481 /nfs/dbraw/zinc/48/84/81/1069488481.db2.gz RVIPOUOSQHUZQX-MOPGFXCFSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1)C(C)C ZINC001615652335 1069488476 /nfs/dbraw/zinc/48/84/76/1069488476.db2.gz RVIPOUOSQHUZQX-MOPGFXCFSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001615652336 1069488551 /nfs/dbraw/zinc/48/85/51/1069488551.db2.gz RVIPOUOSQHUZQX-OALUTQOASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001615652336 1069488547 /nfs/dbraw/zinc/48/85/47/1069488547.db2.gz RVIPOUOSQHUZQX-OALUTQOASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)C(C)C ZINC001615652336 1069488542 /nfs/dbraw/zinc/48/85/42/1069488542.db2.gz RVIPOUOSQHUZQX-OALUTQOASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)C(C)C ZINC001615652336 1069488535 /nfs/dbraw/zinc/48/85/35/1069488535.db2.gz RVIPOUOSQHUZQX-OALUTQOASA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001615652337 1069488361 /nfs/dbraw/zinc/48/83/61/1069488361.db2.gz RVIPOUOSQHUZQX-RBUKOAKNSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001615652337 1069488356 /nfs/dbraw/zinc/48/83/56/1069488356.db2.gz RVIPOUOSQHUZQX-RBUKOAKNSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)C(C)C ZINC001615652337 1069488347 /nfs/dbraw/zinc/48/83/47/1069488347.db2.gz RVIPOUOSQHUZQX-RBUKOAKNSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)C(C)C ZINC001615652337 1069488337 /nfs/dbraw/zinc/48/83/37/1069488337.db2.gz RVIPOUOSQHUZQX-RBUKOAKNSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001615652338 1069488449 /nfs/dbraw/zinc/48/84/49/1069488449.db2.gz RVIPOUOSQHUZQX-RTBURBONSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[NH+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001615652338 1069488441 /nfs/dbraw/zinc/48/84/41/1069488441.db2.gz RVIPOUOSQHUZQX-RTBURBONSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1)C(C)C ZINC001615652338 1069488437 /nfs/dbraw/zinc/48/84/37/1069488437.db2.gz RVIPOUOSQHUZQX-RTBURBONSA-N 2 1 485.655 -0.138 20 0 JBADMP CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]2CCOC[C@H]2C1)C(C)C ZINC001615652338 1069488431 /nfs/dbraw/zinc/48/84/31/1069488431.db2.gz RVIPOUOSQHUZQX-RTBURBONSA-N 2 1 485.655 -0.138 20 0 JBADMP CCO[C@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249718 1069516015 /nfs/dbraw/zinc/51/60/15/1069516015.db2.gz KKBZCIPNHFHZFW-BJKOFHAPSA-N 2 1 493.653 -0.013 20 0 JBADMP CCO[C@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249722 1069515894 /nfs/dbraw/zinc/51/58/94/1069515894.db2.gz KKBZCIPNHFHZFW-DNQXCXABSA-N 2 1 493.653 -0.013 20 0 JBADMP CCO[C@@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249724 1069515960 /nfs/dbraw/zinc/51/59/60/1069515960.db2.gz KKBZCIPNHFHZFW-RPWUZVMVSA-N 2 1 493.653 -0.013 20 0 JBADMP CCO[C@@]1(c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001616249727 1069515984 /nfs/dbraw/zinc/51/59/84/1069515984.db2.gz KKBZCIPNHFHZFW-ZEQRLZLVSA-N 2 1 493.653 -0.013 20 0 JBADMP C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001617700052 1069546989 /nfs/dbraw/zinc/54/69/89/1069546989.db2.gz UMJXQENSEGJQRM-MOPGFXCFSA-N 2 1 485.655 -0.136 20 0 JBADMP C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001617700053 1069546821 /nfs/dbraw/zinc/54/68/21/1069546821.db2.gz UMJXQENSEGJQRM-OALUTQOASA-N 2 1 485.655 -0.136 20 0 JBADMP C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001617700054 1069546856 /nfs/dbraw/zinc/54/68/56/1069546856.db2.gz UMJXQENSEGJQRM-RBUKOAKNSA-N 2 1 485.655 -0.136 20 0 JBADMP C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001617700055 1069546961 /nfs/dbraw/zinc/54/69/61/1069546961.db2.gz UMJXQENSEGJQRM-RTBURBONSA-N 2 1 485.655 -0.136 20 0 JBADMP COCC[NH+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001619874992 1069629392 /nfs/dbraw/zinc/62/93/92/1069629392.db2.gz KIPGEPVZFNCYRN-MOPGFXCFSA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001619874992 1069629389 /nfs/dbraw/zinc/62/93/89/1069629389.db2.gz KIPGEPVZFNCYRN-MOPGFXCFSA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001619874993 1069629218 /nfs/dbraw/zinc/62/92/18/1069629218.db2.gz KIPGEPVZFNCYRN-OALUTQOASA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001619874993 1069629213 /nfs/dbraw/zinc/62/92/13/1069629213.db2.gz KIPGEPVZFNCYRN-OALUTQOASA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001619874994 1069629248 /nfs/dbraw/zinc/62/92/48/1069629248.db2.gz KIPGEPVZFNCYRN-RBUKOAKNSA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001619874994 1069629245 /nfs/dbraw/zinc/62/92/45/1069629245.db2.gz KIPGEPVZFNCYRN-RBUKOAKNSA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001619874995 1069629353 /nfs/dbraw/zinc/62/93/53/1069629353.db2.gz KIPGEPVZFNCYRN-RTBURBONSA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001619874995 1069629347 /nfs/dbraw/zinc/62/93/47/1069629347.db2.gz KIPGEPVZFNCYRN-RTBURBONSA-N 2 1 476.626 -0.060 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001619880428 1069630340 /nfs/dbraw/zinc/63/03/40/1069630340.db2.gz UHIZRMMTJQXQBI-IBGZPJMESA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001619880428 1069630301 /nfs/dbraw/zinc/63/03/01/1069630301.db2.gz UHIZRMMTJQXQBI-IBGZPJMESA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001619880428 1069630298 /nfs/dbraw/zinc/63/02/98/1069630298.db2.gz UHIZRMMTJQXQBI-IBGZPJMESA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001619880428 1069630291 /nfs/dbraw/zinc/63/02/91/1069630291.db2.gz UHIZRMMTJQXQBI-IBGZPJMESA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001619880429 1069630443 /nfs/dbraw/zinc/63/04/43/1069630443.db2.gz UHIZRMMTJQXQBI-LJQANCHMSA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001619880429 1069630439 /nfs/dbraw/zinc/63/04/39/1069630439.db2.gz UHIZRMMTJQXQBI-LJQANCHMSA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001619880429 1069630437 /nfs/dbraw/zinc/63/04/37/1069630437.db2.gz UHIZRMMTJQXQBI-LJQANCHMSA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001619880429 1069630434 /nfs/dbraw/zinc/63/04/34/1069630434.db2.gz UHIZRMMTJQXQBI-LJQANCHMSA-N 2 1 476.626 -0.058 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001619881707 1069631056 /nfs/dbraw/zinc/63/10/56/1069631056.db2.gz ZVBAURCWSFHSLX-IBGZPJMESA-N 2 1 497.666 -0.497 20 0 JBADMP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001619881707 1069631053 /nfs/dbraw/zinc/63/10/53/1069631053.db2.gz ZVBAURCWSFHSLX-IBGZPJMESA-N 2 1 497.666 -0.497 20 0 JBADMP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001619881711 1069631314 /nfs/dbraw/zinc/63/13/14/1069631314.db2.gz ZVBAURCWSFHSLX-LJQANCHMSA-N 2 1 497.666 -0.497 20 0 JBADMP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001619881711 1069631307 /nfs/dbraw/zinc/63/13/07/1069631307.db2.gz ZVBAURCWSFHSLX-LJQANCHMSA-N 2 1 497.666 -0.497 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001619947524 1069640848 /nfs/dbraw/zinc/64/08/48/1069640848.db2.gz YFLHTFJOQQKWKA-IBGZPJMESA-N 2 1 483.639 -0.359 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001619947524 1069640841 /nfs/dbraw/zinc/64/08/41/1069640841.db2.gz YFLHTFJOQQKWKA-IBGZPJMESA-N 2 1 483.639 -0.359 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001619947525 1069640977 /nfs/dbraw/zinc/64/09/77/1069640977.db2.gz YFLHTFJOQQKWKA-LJQANCHMSA-N 2 1 483.639 -0.359 20 0 JBADMP COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001619947525 1069640972 /nfs/dbraw/zinc/64/09/72/1069640972.db2.gz YFLHTFJOQQKWKA-LJQANCHMSA-N 2 1 483.639 -0.359 20 0 JBADMP COCCO[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001620014857 1069649702 /nfs/dbraw/zinc/64/97/02/1069649702.db2.gz QNEJGSWKAFKTCC-AUSIDOKSSA-N 2 1 479.626 -0.187 20 0 JBADMP COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001620014858 1069649579 /nfs/dbraw/zinc/64/95/79/1069649579.db2.gz QNEJGSWKAFKTCC-CVDCTZTESA-N 2 1 479.626 -0.187 20 0 JBADMP COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001620014859 1069649764 /nfs/dbraw/zinc/64/97/64/1069649764.db2.gz QNEJGSWKAFKTCC-WMZHIEFXSA-N 2 1 479.626 -0.187 20 0 JBADMP COCCO[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001620014860 1069649601 /nfs/dbraw/zinc/64/96/01/1069649601.db2.gz QNEJGSWKAFKTCC-XXBNENTESA-N 2 1 479.626 -0.187 20 0 JBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001647904499 1069857608 /nfs/dbraw/zinc/85/76/08/1069857608.db2.gz WRHMOXVSEGVHEF-UHFFFAOYSA-N 2 1 454.593 -0.288 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001649572028 1069865897 /nfs/dbraw/zinc/86/58/97/1069865897.db2.gz YUHLZKJCOQIDHN-AKHDSKFASA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001649572028 1069865877 /nfs/dbraw/zinc/86/58/77/1069865877.db2.gz YUHLZKJCOQIDHN-AKHDSKFASA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572597 1069865312 /nfs/dbraw/zinc/86/53/12/1069865312.db2.gz YUHLZKJCOQIDHN-RDGPPVDQSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572597 1069865291 /nfs/dbraw/zinc/86/52/91/1069865291.db2.gz YUHLZKJCOQIDHN-RDGPPVDQSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572597 1069865272 /nfs/dbraw/zinc/86/52/72/1069865272.db2.gz YUHLZKJCOQIDHN-RDGPPVDQSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572597 1069865250 /nfs/dbraw/zinc/86/52/50/1069865250.db2.gz YUHLZKJCOQIDHN-RDGPPVDQSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001649572599 1069865519 /nfs/dbraw/zinc/86/55/19/1069865519.db2.gz YUHLZKJCOQIDHN-YRXWBPOGSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001649572599 1069865496 /nfs/dbraw/zinc/86/54/96/1069865496.db2.gz YUHLZKJCOQIDHN-YRXWBPOGSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572601 1069865688 /nfs/dbraw/zinc/86/56/88/1069865688.db2.gz YUHLZKJCOQIDHN-ZSYWTGECSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572601 1069865667 /nfs/dbraw/zinc/86/56/67/1069865667.db2.gz YUHLZKJCOQIDHN-ZSYWTGECSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572601 1069865646 /nfs/dbraw/zinc/86/56/46/1069865646.db2.gz YUHLZKJCOQIDHN-ZSYWTGECSA-N 2 1 485.655 -0.092 20 0 JBADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001649572601 1069865626 /nfs/dbraw/zinc/86/56/26/1069865626.db2.gz YUHLZKJCOQIDHN-ZSYWTGECSA-N 2 1 485.655 -0.092 20 0 JBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001659618739 1069916163 /nfs/dbraw/zinc/91/61/63/1069916163.db2.gz AYGZVBVTUBEREY-UHFFFAOYSA-N 2 1 454.593 -0.288 20 0 JBADMP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001661393107 1069926349 /nfs/dbraw/zinc/92/63/49/1069926349.db2.gz VKNVHXPZNAKSPI-IBGZPJMESA-N 2 1 457.622 -0.061 20 0 JBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001668778742 1069953271 /nfs/dbraw/zinc/95/32/71/1069953271.db2.gz NBMJUJVIJCJSDQ-NRFANRHFSA-N 2 1 450.628 -0.021 20 0 JBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001668778742 1069953268 /nfs/dbraw/zinc/95/32/68/1069953268.db2.gz NBMJUJVIJCJSDQ-NRFANRHFSA-N 2 1 450.628 -0.021 20 0 JBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001668778743 1069953169 /nfs/dbraw/zinc/95/31/69/1069953169.db2.gz NBMJUJVIJCJSDQ-OAQYLSRUSA-N 2 1 450.628 -0.021 20 0 JBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001668778743 1069953168 /nfs/dbraw/zinc/95/31/68/1069953168.db2.gz NBMJUJVIJCJSDQ-OAQYLSRUSA-N 2 1 450.628 -0.021 20 0 JBADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001684943562 1069989555 /nfs/dbraw/zinc/98/95/55/1069989555.db2.gz GKGZZHPASWRIPC-FGZHOGPDSA-N 2 1 452.644 -0.121 20 0 JBADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001684943563 1069989476 /nfs/dbraw/zinc/98/94/76/1069989476.db2.gz GKGZZHPASWRIPC-SZPZYZBQSA-N 2 1 452.644 -0.121 20 0 JBADMP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001684943563 1069989473 /nfs/dbraw/zinc/98/94/73/1069989473.db2.gz GKGZZHPASWRIPC-SZPZYZBQSA-N 2 1 452.644 -0.121 20 0 JBADMP O=C(N[C@@H]1CCC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001684943563 1069989470 /nfs/dbraw/zinc/98/94/70/1069989470.db2.gz GKGZZHPASWRIPC-SZPZYZBQSA-N 2 1 452.644 -0.121 20 0 JBADMP O=C(N[C@H]1CCC[NH+](CCN2CCOCC2)C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001684943564 1069989454 /nfs/dbraw/zinc/98/94/54/1069989454.db2.gz GKGZZHPASWRIPC-VXKWHMMOSA-N 2 1 452.644 -0.121 20 0 JBADMP