smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2cnccc2c1 ZINC000904474080 1032069512 /nfs/dbraw/zinc/06/95/12/1032069512.db2.gz SYSILSSSRMKJIE-IRLDBZIGSA-N 1 3 345.446 3.580 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2c1CCC2 ZINC000904472599 1032069677 /nfs/dbraw/zinc/06/96/77/1032069677.db2.gz MWWMOBUJOWZEKG-UNMCSNQZSA-N 1 3 334.463 3.521 20 0 EHADHO Cc1cc(C)c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476571 1032072939 /nfs/dbraw/zinc/07/29/39/1032072939.db2.gz UHRBEBYPBHCONF-IFMALSPDSA-N 1 3 336.479 3.957 20 0 EHADHO CCC(CC)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)OC ZINC000430140577 1014169774 /nfs/dbraw/zinc/16/97/74/1014169774.db2.gz OWBBYSRUURHFAY-HSALFYBXSA-N 1 3 330.516 3.692 20 0 EHADHO CCCCN1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000579703536 1014237658 /nfs/dbraw/zinc/23/76/58/1014237658.db2.gz FWSSUKOFJYBFAJ-UHFFFAOYSA-N 1 3 337.895 3.523 20 0 EHADHO CCCC[NH+]1CCC(NCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000579703536 1014237667 /nfs/dbraw/zinc/23/76/67/1014237667.db2.gz FWSSUKOFJYBFAJ-UHFFFAOYSA-N 1 3 337.895 3.523 20 0 EHADHO c1ncc(C[N@@H+]2CCC3(CCC3)C2)cc1CN1CCC2(CCC2)C1 ZINC000579798268 1014588021 /nfs/dbraw/zinc/58/80/21/1014588021.db2.gz IZEJJAWSMMPQIQ-UHFFFAOYSA-N 1 3 325.500 3.834 20 0 EHADHO c1ncc(C[N@H+]2CCC3(CCC3)C2)cc1CN1CCC2(CCC2)C1 ZINC000579798268 1014588033 /nfs/dbraw/zinc/58/80/33/1014588033.db2.gz IZEJJAWSMMPQIQ-UHFFFAOYSA-N 1 3 325.500 3.834 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657838044 1032127169 /nfs/dbraw/zinc/12/71/69/1032127169.db2.gz NBRPRGAKEXLEIU-XLIONFOSSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657838044 1032127178 /nfs/dbraw/zinc/12/71/78/1032127178.db2.gz NBRPRGAKEXLEIU-XLIONFOSSA-N 1 3 328.500 3.720 20 0 EHADHO COc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000339867399 1015795447 /nfs/dbraw/zinc/79/54/47/1015795447.db2.gz QHCVKIOQHSSWJA-XLIONFOSSA-N 1 3 339.483 3.575 20 0 EHADHO COc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000339867399 1015795453 /nfs/dbraw/zinc/79/54/53/1015795453.db2.gz QHCVKIOQHSSWJA-XLIONFOSSA-N 1 3 339.483 3.575 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCN1C ZINC000155200371 1016296976 /nfs/dbraw/zinc/29/69/76/1016296976.db2.gz WVICIJAORVAGAR-APWZRJJASA-N 1 3 349.950 3.624 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000076443400 1016349265 /nfs/dbraw/zinc/34/92/65/1016349265.db2.gz AMWXBOVHVUHJCF-QUCCMNQESA-N 1 3 338.495 3.910 20 0 EHADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(C(=O)OC)cc1 ZINC000340350785 1017004559 /nfs/dbraw/zinc/00/45/59/1017004559.db2.gz IXUOQZCFKKPYIP-LPHOPBHVSA-N 1 3 332.488 3.778 20 0 EHADHO Cc1nc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c(C)o1 ZINC000449214345 1032319825 /nfs/dbraw/zinc/31/98/25/1032319825.db2.gz YMHYWWMBLWRJPC-INIZCTEOSA-N 1 3 341.499 3.519 20 0 EHADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000538397908 1032343350 /nfs/dbraw/zinc/34/33/50/1032343350.db2.gz DUMHRSWMUKPZSE-HNNXBMFYSA-N 1 3 349.906 3.764 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@@H]3CCC[C@H](C)C3)CC1)C2 ZINC000459692379 1032419147 /nfs/dbraw/zinc/41/91/47/1032419147.db2.gz GYAAUYBUJWNYGB-PWIZWCRZSA-N 1 3 342.527 3.795 20 0 EHADHO COc1cc(Cl)c(CNCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000459738576 1032454291 /nfs/dbraw/zinc/45/42/91/1032454291.db2.gz RYDIHBNOBXJMJH-GFCCVEGCSA-N 1 3 331.287 3.824 20 0 EHADHO COc1cc(Cl)c(CNCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000459738576 1032454300 /nfs/dbraw/zinc/45/43/00/1032454300.db2.gz RYDIHBNOBXJMJH-GFCCVEGCSA-N 1 3 331.287 3.824 20 0 EHADHO CC(C)N1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000449462505 1032611202 /nfs/dbraw/zinc/61/12/02/1032611202.db2.gz VJIAJJIYIPJAHT-ONEGZZNKSA-N 1 3 337.305 3.925 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415128188 1017592023 /nfs/dbraw/zinc/59/20/23/1017592023.db2.gz RUSRKYHYXJVCEG-PZJWPPBQSA-N 1 3 346.515 3.584 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2s1 ZINC000275665453 1018019618 /nfs/dbraw/zinc/01/96/18/1018019618.db2.gz BTTOOXSEOJZDDU-WBAXXEDZSA-N 1 3 344.524 3.930 20 0 EHADHO COc1cc(F)c([C@@H](C)NCCCCC[NH+]2CCCC2)cc1OC ZINC000340476469 1018026480 /nfs/dbraw/zinc/02/64/80/1018026480.db2.gz QISMXDRIFYVUJN-OAHLLOKOSA-N 1 3 338.467 3.760 20 0 EHADHO C[NH2+]C[C@@H]1CCCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000580774086 1020002982 /nfs/dbraw/zinc/00/29/82/1020002982.db2.gz OBJUVNFERWKGFK-INIZCTEOSA-N 1 3 328.422 3.960 20 0 EHADHO CCn1nc(C)c(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1C ZINC000307964507 1020436171 /nfs/dbraw/zinc/43/61/71/1020436171.db2.gz JPHHZDRCGKRLEM-OAQYLSRUSA-N 1 3 340.515 3.522 20 0 EHADHO CC[C@@H](C)N1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000449630941 1032930817 /nfs/dbraw/zinc/93/08/17/1032930817.db2.gz NZUCGAQKAJINFJ-LJQANCHMSA-N 1 3 331.548 3.561 20 0 EHADHO CC[C@@H](C)N1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000449630941 1032930832 /nfs/dbraw/zinc/93/08/32/1032930832.db2.gz NZUCGAQKAJINFJ-LJQANCHMSA-N 1 3 331.548 3.561 20 0 EHADHO CC[N@H+](CCC1CC[NH+](Cc2nc(C)ccc2[O-])CC1)CC(C)C ZINC000349406134 1020812655 /nfs/dbraw/zinc/81/26/55/1020812655.db2.gz KIMWCJVVZZGHMN-UHFFFAOYSA-N 1 3 333.520 3.676 20 0 EHADHO CC[N@@H+](CCC1CC[NH+](Cc2nc(C)ccc2[O-])CC1)CC(C)C ZINC000349406134 1020812663 /nfs/dbraw/zinc/81/26/63/1020812663.db2.gz KIMWCJVVZZGHMN-UHFFFAOYSA-N 1 3 333.520 3.676 20 0 EHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593116 1020843884 /nfs/dbraw/zinc/84/38/84/1020843884.db2.gz DEYPBJZGGMAEFD-WIYYLYMNSA-N 1 3 338.495 3.852 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@@H](C)c2ccccc2)cc1F ZINC000656789897 1021341544 /nfs/dbraw/zinc/34/15/44/1021341544.db2.gz CMZZKGGMYJVCGT-BPAFIMBUSA-N 1 3 342.458 3.673 20 0 EHADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415003454 1021609795 /nfs/dbraw/zinc/60/97/95/1021609795.db2.gz NCVLROBQROJCCF-FYINFDKHSA-N 1 3 344.449 3.879 20 0 EHADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](C)CC[NH3+] ZINC000414902395 1021752263 /nfs/dbraw/zinc/75/22/63/1021752263.db2.gz YDTOPRFIZRTUMK-QGZVFWFLSA-N 1 3 334.467 3.675 20 0 EHADHO FC(F)(F)c1ccc(Cl)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415008920 1021949182 /nfs/dbraw/zinc/94/91/82/1021949182.db2.gz NJRGWIQHQZGHTB-DZGCQCFKSA-N 1 3 332.797 3.837 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000473912199 1022270415 /nfs/dbraw/zinc/27/04/15/1022270415.db2.gz NBWRXDPSXJMFBH-MCEIDBOGSA-N 1 3 342.527 3.754 20 0 EHADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(Br)cc2)c2ccccc21 ZINC000261762847 1022274875 /nfs/dbraw/zinc/27/48/75/1022274875.db2.gz NXYRCOONCSRMJR-DLBZAZTESA-N 1 3 331.257 3.726 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCNCc2conc2Cc2ccccc2)C1 ZINC000550097897 1022422212 /nfs/dbraw/zinc/42/22/12/1022422212.db2.gz YDRRFSUMOSZRKT-SFHVURJKSA-N 1 3 341.499 3.867 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCNCc2conc2Cc2ccccc2)C1 ZINC000550097897 1022422222 /nfs/dbraw/zinc/42/22/22/1022422222.db2.gz YDRRFSUMOSZRKT-SFHVURJKSA-N 1 3 341.499 3.867 20 0 EHADHO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000438210539 1022471402 /nfs/dbraw/zinc/47/14/02/1022471402.db2.gz JBDHAHAOMUQFOF-ICSRJNTNSA-N 1 3 340.486 3.911 20 0 EHADHO Cc1cnn(CCCCCN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000111685915 1022704001 /nfs/dbraw/zinc/70/40/01/1022704001.db2.gz BHXXRLAGTQKXGQ-OAQYLSRUSA-N 1 3 346.563 3.806 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000550213657 1022759287 /nfs/dbraw/zinc/75/92/87/1022759287.db2.gz VNYXJFOGVKJMHB-ROUUACIJSA-N 1 3 338.536 3.600 20 0 EHADHO CCC1(CNCc2ocnc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000894363242 1022950098 /nfs/dbraw/zinc/95/00/98/1022950098.db2.gz CVIPNLPQJAAIJQ-UHFFFAOYSA-N 1 3 327.472 3.765 20 0 EHADHO CC[NH+](CC)Cc1cc([C@@H](C)NC2CC(F)(F)C2)ccc1OC ZINC000760037158 1023265500 /nfs/dbraw/zinc/26/55/00/1023265500.db2.gz IGNGFBPIHIPJSW-CYBMUJFWSA-N 1 3 326.431 3.985 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC000192440988 1024010827 /nfs/dbraw/zinc/01/08/27/1024010827.db2.gz DNWLRTNATMXYRK-FQEVSTJZSA-N 1 3 342.527 3.797 20 0 EHADHO O=C(c1ccccc1)[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002393 1024049758 /nfs/dbraw/zinc/04/97/58/1024049758.db2.gz QTPVUTCZVJDZAJ-MQEZQYLSSA-N 1 3 338.495 3.597 20 0 EHADHO O=C(c1ccccc1)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002393 1024049776 /nfs/dbraw/zinc/04/97/76/1024049776.db2.gz QTPVUTCZVJDZAJ-MQEZQYLSSA-N 1 3 338.495 3.597 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414849672 1024263450 /nfs/dbraw/zinc/26/34/50/1024263450.db2.gz HNXUTWJPLYAYGM-RYRKJORJSA-N 1 3 331.504 3.505 20 0 EHADHO COC1CCC(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000895694460 1024728547 /nfs/dbraw/zinc/72/85/47/1024728547.db2.gz UXSUEQNAKVKRNV-QXWDQEIOSA-N 1 3 330.516 3.549 20 0 EHADHO C[C@H](CCCc1cccnc1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254107 1024944384 /nfs/dbraw/zinc/94/43/84/1024944384.db2.gz HXNCFYAPYJDVGH-MAODMQOUSA-N 1 3 341.474 3.667 20 0 EHADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCc2ccco2)cc1 ZINC000665254999 1024964749 /nfs/dbraw/zinc/96/47/49/1024964749.db2.gz GCHQPYXWOJDMGL-NDXORKPFSA-N 1 3 342.483 3.735 20 0 EHADHO CCCN1CCC([NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124680801 1025108117 /nfs/dbraw/zinc/10/81/17/1025108117.db2.gz ZFOMUWGNWZDGNX-OALUTQOASA-N 1 3 343.559 3.607 20 0 EHADHO C[C@H]1CC([NH2+][C@H]2CCN(C3CCC3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168036941 1025129590 /nfs/dbraw/zinc/12/95/90/1025129590.db2.gz WGBAHVSJWIXSGN-BJLQDIEVSA-N 1 3 341.543 3.644 20 0 EHADHO CC(C)[C@@H](C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000474596939 1025180468 /nfs/dbraw/zinc/18/04/68/1025180468.db2.gz HWYWSVGWPSUYAH-SVFBPWRDSA-N 1 3 332.532 3.905 20 0 EHADHO COc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OCC(C)C ZINC000582122660 1025353919 /nfs/dbraw/zinc/35/39/19/1025353919.db2.gz VGHZHCROTCEWBZ-LJQANCHMSA-N 1 3 346.515 3.552 20 0 EHADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760748 1025458215 /nfs/dbraw/zinc/45/82/15/1025458215.db2.gz AKSFHQUXYJDWHV-IRXDYDNUSA-N 1 3 326.440 3.527 20 0 EHADHO Cc1nc(CN2CCC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000443058119 1025693704 /nfs/dbraw/zinc/69/37/04/1025693704.db2.gz JIQPBWHUTYJMIX-CQSZACIVSA-N 1 3 333.863 3.864 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040118 1025907053 /nfs/dbraw/zinc/90/70/53/1025907053.db2.gz ZEKHWYYODXNVRU-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040118 1025907066 /nfs/dbraw/zinc/90/70/66/1025907066.db2.gz ZEKHWYYODXNVRU-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040118 1025907080 /nfs/dbraw/zinc/90/70/80/1025907080.db2.gz ZEKHWYYODXNVRU-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000349720040 1026219142 /nfs/dbraw/zinc/21/91/42/1026219142.db2.gz IGABGMCEDVYKCL-KRWDZBQOSA-N 1 3 340.895 3.502 20 0 EHADHO C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603454 1026380081 /nfs/dbraw/zinc/38/00/81/1026380081.db2.gz YWFNFOXOCMDURY-IAQYHMDHSA-N 1 3 343.334 3.893 20 0 EHADHO C[N@H+]1CCC[C@H](CN[C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603454 1026380091 /nfs/dbraw/zinc/38/00/91/1026380091.db2.gz YWFNFOXOCMDURY-IAQYHMDHSA-N 1 3 343.334 3.893 20 0 EHADHO FC(F)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000475208941 1026389082 /nfs/dbraw/zinc/38/90/82/1026389082.db2.gz BMQGRYSUIWPKTA-OKZBNKHCSA-N 1 3 334.454 3.922 20 0 EHADHO CCOc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000657500566 1026788694 /nfs/dbraw/zinc/78/86/94/1026788694.db2.gz QEAMBOMUWDHAPY-IRLDBZIGSA-N 1 3 338.495 3.829 20 0 EHADHO CCOc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000657500566 1026788702 /nfs/dbraw/zinc/78/87/02/1026788702.db2.gz QEAMBOMUWDHAPY-IRLDBZIGSA-N 1 3 338.495 3.829 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531343683 1026830665 /nfs/dbraw/zinc/83/06/65/1026830665.db2.gz UVFSCESBTQRGRN-QGZVFWFLSA-N 1 3 344.421 3.638 20 0 EHADHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000305768512 1026965858 /nfs/dbraw/zinc/96/58/58/1026965858.db2.gz KWTWPBAMFPKTGQ-CEXWTWQISA-N 1 3 346.515 3.651 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000582725530 1027073178 /nfs/dbraw/zinc/07/31/78/1027073178.db2.gz OMGUBGMPDXJKCH-CABCVRRESA-N 1 3 340.496 3.816 20 0 EHADHO Cc1ccc2nccc(NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)c2c1 ZINC000302221890 1027094676 /nfs/dbraw/zinc/09/46/76/1027094676.db2.gz MQSHEFWQTGUFAQ-MOPGFXCFSA-N 1 3 347.462 3.591 20 0 EHADHO Cc1ccc2nccc(NC[C@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221890 1027094684 /nfs/dbraw/zinc/09/46/84/1027094684.db2.gz MQSHEFWQTGUFAQ-MOPGFXCFSA-N 1 3 347.462 3.591 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CCN1C ZINC000453122597 1027401187 /nfs/dbraw/zinc/40/11/87/1027401187.db2.gz QJFVCUUPQFWIRQ-VOFPXKNKSA-N 1 3 341.543 3.502 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303846 1027454266 /nfs/dbraw/zinc/45/42/66/1027454266.db2.gz NQYPUNXCZHWGJA-XLIONFOSSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303846 1027454269 /nfs/dbraw/zinc/45/42/69/1027454269.db2.gz NQYPUNXCZHWGJA-XLIONFOSSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303846 1027454270 /nfs/dbraw/zinc/45/42/70/1027454270.db2.gz NQYPUNXCZHWGJA-XLIONFOSSA-N 1 3 340.467 3.583 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331918 1027481550 /nfs/dbraw/zinc/48/15/50/1027481550.db2.gz CHAMPUPGIJEFAN-CABCVRRESA-N 1 3 331.485 3.533 20 0 EHADHO Clc1cccc([C@H](NCC[C@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000420373549 1027498192 /nfs/dbraw/zinc/49/81/92/1027498192.db2.gz MMIVWXDMZALKSG-BEFAXECRSA-N 1 3 329.875 3.804 20 0 EHADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613914 1027654995 /nfs/dbraw/zinc/65/49/95/1027654995.db2.gz WRTFDSRPSGSJDP-DYESRHJHSA-N 1 3 327.516 3.876 20 0 EHADHO C[C@H]1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261831707 1027864210 /nfs/dbraw/zinc/86/42/10/1027864210.db2.gz JEMIQNRNSUURSM-XOBRGWDASA-N 1 3 330.422 3.766 20 0 EHADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2ccccc2Br)CC1 ZINC000422775514 1027933867 /nfs/dbraw/zinc/93/38/67/1027933867.db2.gz BOXHRSQHLQOKQD-JKSUJKDBSA-N 1 3 337.305 3.730 20 0 EHADHO CN(Cc1ccc(Br)cc1Cl)CC1CC[NH2+]CC1 ZINC000168251465 1027937120 /nfs/dbraw/zinc/93/71/20/1027937120.db2.gz NWHXNKSIBLPHLC-UHFFFAOYSA-N 1 3 331.685 3.534 20 0 EHADHO CCOc1cc(CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OC ZINC000422761253 1027943515 /nfs/dbraw/zinc/94/35/15/1027943515.db2.gz QWYIVALBIKDBJX-RTBURBONSA-N 1 3 340.467 3.761 20 0 EHADHO CO[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000422792772 1027966342 /nfs/dbraw/zinc/96/63/42/1027966342.db2.gz WKWGMSVOSKBAQD-KZULUSFZSA-N 1 3 333.863 3.540 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000422873017 1028032351 /nfs/dbraw/zinc/03/23/51/1028032351.db2.gz JMAOIHFALULKQU-HOTGVXAUSA-N 1 3 338.499 3.861 20 0 EHADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422910577 1028043797 /nfs/dbraw/zinc/04/37/97/1028043797.db2.gz IPIARURRBNJIFO-TVZGQMOCSA-N 1 3 347.890 3.929 20 0 EHADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OC1CCCC1 ZINC000422933762 1028062609 /nfs/dbraw/zinc/06/26/09/1028062609.db2.gz DSAMCYVFLJIBSA-AEFFLSMTSA-N 1 3 332.488 3.624 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422941683 1028070977 /nfs/dbraw/zinc/07/09/77/1028070977.db2.gz VJTILRUNSBYGLR-RBUKOAKNSA-N 1 3 332.875 3.773 20 0 EHADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422947475 1028084862 /nfs/dbraw/zinc/08/48/62/1028084862.db2.gz QFDZBVMTQWOAIA-GVDBMIGSSA-N 1 3 342.405 3.595 20 0 EHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(Br)c2)CCCC1 ZINC000422994656 1028099410 /nfs/dbraw/zinc/09/94/10/1028099410.db2.gz IGBKYFYTKPOWAX-HZPDHXFCSA-N 1 3 337.305 3.730 20 0 EHADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011476 1028124847 /nfs/dbraw/zinc/12/48/47/1028124847.db2.gz IUDDJZROTULAAI-CZUORRHYSA-N 1 3 335.904 3.723 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011476 1028124853 /nfs/dbraw/zinc/12/48/53/1028124853.db2.gz IUDDJZROTULAAI-CZUORRHYSA-N 1 3 335.904 3.723 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(c2ccc(F)cc2F)CC1 ZINC000423012988 1028125540 /nfs/dbraw/zinc/12/55/40/1028125540.db2.gz LTBNRAMYIVSORT-KUHUBIRLSA-N 1 3 330.422 3.545 20 0 EHADHO CC(C)(C)c1nc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000423022891 1028132865 /nfs/dbraw/zinc/13/28/65/1028132865.db2.gz IMXSWZBMAAEBDU-YESZJQIVSA-N 1 3 335.561 3.884 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)CC3 ZINC000423040173 1028146517 /nfs/dbraw/zinc/14/65/17/1028146517.db2.gz GTFCJJFSCBKKOV-ZBFHGGJFSA-N 1 3 348.494 3.847 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423063785 1028156504 /nfs/dbraw/zinc/15/65/04/1028156504.db2.gz PUSJXRDLFJOJKX-PXAZEXFGSA-N 1 3 337.389 3.845 20 0 EHADHO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423087202 1028174732 /nfs/dbraw/zinc/17/47/32/1028174732.db2.gz PAOWOWMWWLROHP-APWZRJJASA-N 1 3 341.499 3.537 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1OC ZINC000502449708 1028219949 /nfs/dbraw/zinc/21/99/49/1028219949.db2.gz FAIPEQAIRJEFJC-KRWDZBQOSA-N 1 3 348.531 3.655 20 0 EHADHO CC(C)[C@@H]([NH2+]CC1(N)CCCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423202876 1028274843 /nfs/dbraw/zinc/27/48/43/1028274843.db2.gz ROWGTVRYIBRBBJ-QGZVFWFLSA-N 1 3 331.460 3.872 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423276999 1028337873 /nfs/dbraw/zinc/33/78/73/1028337873.db2.gz PGTILWSXICCGJG-KBPBESRZSA-N 1 3 333.476 3.990 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322282 1028348119 /nfs/dbraw/zinc/34/81/19/1028348119.db2.gz GKJJEZQPXNRLNL-JHVJFLLYSA-N 1 3 342.458 3.501 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322281 1028348929 /nfs/dbraw/zinc/34/89/29/1028348929.db2.gz GKJJEZQPXNRLNL-GQWLDOHISA-N 1 3 342.458 3.501 20 0 EHADHO COc1cc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000423294949 1028350846 /nfs/dbraw/zinc/35/08/46/1028350846.db2.gz VTTOUCUTOXMZDB-UONOGXRCSA-N 1 3 344.455 3.583 20 0 EHADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423423169 1028416966 /nfs/dbraw/zinc/41/69/66/1028416966.db2.gz DPQGWCKFATXKPR-RRQGHBQHSA-N 1 3 327.497 3.849 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@](C)(O)c1ccccc1 ZINC000237131708 1028424695 /nfs/dbraw/zinc/42/46/95/1028424695.db2.gz UZZVYPVTSBRSHP-JOCHJYFZSA-N 1 3 340.511 3.642 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@](C)(O)c1ccccc1 ZINC000237131708 1028424705 /nfs/dbraw/zinc/42/47/05/1028424705.db2.gz UZZVYPVTSBRSHP-JOCHJYFZSA-N 1 3 340.511 3.642 20 0 EHADHO COC(=O)c1csc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423508606 1028471636 /nfs/dbraw/zinc/47/16/36/1028471636.db2.gz KYIUPCKSLFGLHC-XJKSGUPXSA-N 1 3 332.469 3.666 20 0 EHADHO COCCc1nc(C)c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423496191 1028481757 /nfs/dbraw/zinc/48/17/57/1028481757.db2.gz DOUKVVHSROLIII-PBHICJAKSA-N 1 3 347.528 3.771 20 0 EHADHO C1CCC2(C1)[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@H]1CCO[C@H]12 ZINC000194066846 1028487425 /nfs/dbraw/zinc/48/74/25/1028487425.db2.gz AMNGGSWVOUBOCH-VAMGGRTRSA-N 1 3 332.532 3.721 20 0 EHADHO C[C@@H]1CC2(CN1Cc1ncc(-c3cccc(Cl)c3)o1)CC[NH2+]CC2 ZINC000424286044 1028928703 /nfs/dbraw/zinc/92/87/03/1028928703.db2.gz GUMAFAVTFCRWAN-CQSZACIVSA-N 1 3 345.874 3.959 20 0 EHADHO C[C@H]1CC2(CN1Cc1coc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424290546 1028932181 /nfs/dbraw/zinc/93/21/81/1028932181.db2.gz MUSGIHKVCAZTIZ-AWEZNQCLSA-N 1 3 345.874 3.959 20 0 EHADHO C[C@@H]1CC2(CN1Cc1coc(-c3cccc(Cl)c3)n1)CC[NH2+]CC2 ZINC000424298282 1028939548 /nfs/dbraw/zinc/93/95/48/1028939548.db2.gz UGQMRSDUZPXVJE-CQSZACIVSA-N 1 3 345.874 3.959 20 0 EHADHO C[C@H]1CC2(CN1Cc1ccccc1OC(F)(F)F)CC[NH2+]CC2 ZINC000424387112 1029042378 /nfs/dbraw/zinc/04/23/78/1029042378.db2.gz YENWUTZLVBWRKY-ZDUSSCGKSA-N 1 3 328.378 3.549 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789278 1029078132 /nfs/dbraw/zinc/07/81/32/1029078132.db2.gz YINIJLNWGTWFFQ-ZWKOTPCHSA-N 1 3 341.524 3.940 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414791276 1029096807 /nfs/dbraw/zinc/09/68/07/1029096807.db2.gz BDQPAUOPRZMDHB-NUJGCVRESA-N 1 3 331.504 3.634 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414793520 1029097644 /nfs/dbraw/zinc/09/76/44/1029097644.db2.gz DNNQHCNTMUZFTL-FFSVYQOJSA-N 1 3 343.284 3.626 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414793519 1029097894 /nfs/dbraw/zinc/09/78/94/1029097894.db2.gz DNNQHCNTMUZFTL-AXAPSJFSSA-N 1 3 343.284 3.626 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000162718068 1029328370 /nfs/dbraw/zinc/32/83/70/1029328370.db2.gz GRYSJHVKSFOPRG-DNVCBOLYSA-N 1 3 343.446 3.833 20 0 EHADHO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272479744 1029475952 /nfs/dbraw/zinc/47/59/52/1029475952.db2.gz MCKGEHPOJZNKSI-RCZSKKKRSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272479744 1029475956 /nfs/dbraw/zinc/47/59/56/1029475956.db2.gz MCKGEHPOJZNKSI-RCZSKKKRSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479744 1029475968 /nfs/dbraw/zinc/47/59/68/1029475968.db2.gz MCKGEHPOJZNKSI-RCZSKKKRSA-N 1 3 338.495 3.529 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000193159902 1029533154 /nfs/dbraw/zinc/53/31/54/1029533154.db2.gz DORBKGKDQAEBJE-SJCJKPOMSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159902 1029533161 /nfs/dbraw/zinc/53/31/61/1029533161.db2.gz DORBKGKDQAEBJE-SJCJKPOMSA-N 1 3 335.289 3.510 20 0 EHADHO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000272704971 1029573350 /nfs/dbraw/zinc/57/33/50/1029573350.db2.gz TWJAXPNLCQYSBB-RBUKOAKNSA-N 1 3 341.543 3.898 20 0 EHADHO Nc1ccc(-c2cccc(CN(CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000634994408 1029881892 /nfs/dbraw/zinc/88/18/92/1029881892.db2.gz BSESVCYUHOLERG-UHFFFAOYSA-N 1 3 338.499 3.672 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000481923654 1030125304 /nfs/dbraw/zinc/12/53/04/1030125304.db2.gz RCNJQAFRZYINBX-CABCVRRESA-N 1 3 328.422 3.958 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1cc(Br)cs1 ZINC000650718388 1030144612 /nfs/dbraw/zinc/14/46/12/1030144612.db2.gz JXQNWISXOVOCHE-UHFFFAOYSA-N 1 3 325.275 3.520 20 0 EHADHO Fc1cccc(CC2CCN([C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1F ZINC000453362280 1030176499 /nfs/dbraw/zinc/17/64/99/1030176499.db2.gz NTMALFDZHNPFOW-MSOLQXFVSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(CC2CCN([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1F ZINC000453362280 1030176505 /nfs/dbraw/zinc/17/65/05/1030176505.db2.gz NTMALFDZHNPFOW-MSOLQXFVSA-N 1 3 334.454 3.846 20 0 EHADHO FC1(F)CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000453422667 1030273848 /nfs/dbraw/zinc/27/38/48/1030273848.db2.gz MZLAGKJCHFCYPV-IPMKNSEASA-N 1 3 334.454 3.922 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447600873 1030356861 /nfs/dbraw/zinc/35/68/61/1030356861.db2.gz NIPIYKUKJKROGL-QIJUGHKUSA-N 1 3 341.543 3.504 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC001168091864 1030421814 /nfs/dbraw/zinc/42/18/14/1030421814.db2.gz BZFTTWPAOOYEQN-CRAIPNDOSA-N 1 3 336.907 3.709 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccc(Br)cc21 ZINC000650755841 1030754292 /nfs/dbraw/zinc/75/42/92/1030754292.db2.gz OCJSXACMNPEVQH-SFHVURJKSA-N 1 3 345.284 3.946 20 0 EHADHO CCC(CC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550882590 1030757356 /nfs/dbraw/zinc/75/73/56/1030757356.db2.gz OPEJXGTTZWUANJ-LJQANCHMSA-N 1 3 330.516 3.693 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000482949958 1030830092 /nfs/dbraw/zinc/83/00/92/1030830092.db2.gz WMOSCDVOEZHPCH-CRAIPNDOSA-N 1 3 334.467 3.660 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000482949958 1030830112 /nfs/dbraw/zinc/83/01/12/1030830112.db2.gz WMOSCDVOEZHPCH-CRAIPNDOSA-N 1 3 334.467 3.660 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000476989800 1031150505 /nfs/dbraw/zinc/15/05/05/1031150505.db2.gz VQRAGPXLKKLBPO-KRWDZBQOSA-N 1 3 338.536 3.695 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000476989800 1031150513 /nfs/dbraw/zinc/15/05/13/1031150513.db2.gz VQRAGPXLKKLBPO-KRWDZBQOSA-N 1 3 338.536 3.695 20 0 EHADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263816 1031176909 /nfs/dbraw/zinc/17/69/09/1031176909.db2.gz UELDRLMSUPLTSY-ZJOUEHCJSA-N 1 3 344.543 3.939 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000584113021 1031757632 /nfs/dbraw/zinc/75/76/32/1031757632.db2.gz WSOBVWJDDYBFAA-HXUWFJFHSA-N 1 3 336.479 3.982 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000584113021 1031757643 /nfs/dbraw/zinc/75/76/43/1031757643.db2.gz WSOBVWJDDYBFAA-HXUWFJFHSA-N 1 3 336.479 3.982 20 0 EHADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621629 1033743940 /nfs/dbraw/zinc/74/39/40/1033743940.db2.gz MNCQOCZXMKAITA-YPAWHYETSA-N 1 3 343.559 3.922 20 0 EHADHO C[C@H](Cc1ccsc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165315 1034028519 /nfs/dbraw/zinc/02/85/19/1034028519.db2.gz ILPNNMHXYAGXLO-MRXNPFEDSA-N 1 3 329.513 3.576 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCC(F)(F)CC2)CC1 ZINC000658323632 1034202209 /nfs/dbraw/zinc/20/22/09/1034202209.db2.gz UMQVGBCTARFJFK-DOTOQJQBSA-N 1 3 344.490 3.560 20 0 EHADHO COc1cccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1C ZINC000658354264 1034236071 /nfs/dbraw/zinc/23/60/71/1034236071.db2.gz UPBIERWFIDEUDS-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000604997805 1034579684 /nfs/dbraw/zinc/57/96/84/1034579684.db2.gz KSXLEWMUEWCTPF-HDICACEKSA-N 1 3 330.516 3.570 20 0 EHADHO c1nn2ccccc2c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376121870 1035299958 /nfs/dbraw/zinc/29/99/58/1035299958.db2.gz BPINTQOUHBOVEN-WKCHPHFGSA-N 1 3 346.478 3.620 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000310078277 1035332129 /nfs/dbraw/zinc/33/21/29/1035332129.db2.gz HKWGKYOUZNPAAE-AEFFLSMTSA-N 1 3 327.447 3.784 20 0 EHADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186171223 1035594897 /nfs/dbraw/zinc/59/48/97/1035594897.db2.gz WFOXQLSWTZGLNL-RXVVDRJESA-N 1 3 342.527 3.771 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000171132478 1036040508 /nfs/dbraw/zinc/04/05/08/1036040508.db2.gz BSLGCFVQAACDAV-OAQYLSRUSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H](C)O1 ZINC000414262961 1036346576 /nfs/dbraw/zinc/34/65/76/1036346576.db2.gz PAQQPIWAXZXGLX-XQKZDWMGSA-N 1 3 342.527 3.690 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1[nH]nc2ccccc21 ZINC000669832405 1036922082 /nfs/dbraw/zinc/92/20/82/1036922082.db2.gz CYRSJWQCWNXCEQ-NRFANRHFSA-N 1 3 348.494 3.953 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1[nH]nc2ccccc21 ZINC000669832405 1036922103 /nfs/dbraw/zinc/92/21/03/1036922103.db2.gz CYRSJWQCWNXCEQ-NRFANRHFSA-N 1 3 348.494 3.953 20 0 EHADHO Cc1ccc(C[NH+]2CCCCC2)cc1-n1nc(CN)c2ccccc21 ZINC001167699879 1036923809 /nfs/dbraw/zinc/92/38/09/1036923809.db2.gz FBYKDTDJKRAQBH-UHFFFAOYSA-N 1 3 334.467 3.779 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C(C)(C)O1 ZINC000311042356 1036946933 /nfs/dbraw/zinc/94/69/33/1036946933.db2.gz FFSBSCVOFYGFHT-WTGUMLROSA-N 1 3 342.527 3.833 20 0 EHADHO c1oc(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542822 1037067711 /nfs/dbraw/zinc/06/77/11/1037067711.db2.gz CLBAWULNRLZJQP-QZTJIDSGSA-N 1 3 325.456 3.553 20 0 EHADHO Brc1ccsc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543789 1037094540 /nfs/dbraw/zinc/09/45/40/1037094540.db2.gz SACYNUABAFXHAC-CHWSQXEVSA-N 1 3 343.334 3.722 20 0 EHADHO CO[C@](C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000462806665 1037426195 /nfs/dbraw/zinc/42/61/95/1037426195.db2.gz JZRMZTSQMKQTEP-BDKRGJGYSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H]1C[C@H](NCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116834 1037786094 /nfs/dbraw/zinc/78/60/94/1037786094.db2.gz SFZZKTZMOWYWRX-GHTZIAJQSA-N 1 3 337.511 3.895 20 0 EHADHO C[C@H]1C[C@H](NCc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116834 1037786102 /nfs/dbraw/zinc/78/61/02/1037786102.db2.gz SFZZKTZMOWYWRX-GHTZIAJQSA-N 1 3 337.511 3.895 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000540320425 1037795283 /nfs/dbraw/zinc/79/52/83/1037795283.db2.gz KRHXPYNNOUSAOO-AHIWAGSCSA-N 1 3 337.305 3.899 20 0 EHADHO Cc1ccc(CC[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073018 1038670491 /nfs/dbraw/zinc/67/04/91/1038670491.db2.gz GYGABILPQRUXKN-SLFFLAALSA-N 1 3 332.532 3.795 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1F ZINC000668817849 1038791820 /nfs/dbraw/zinc/79/18/20/1038791820.db2.gz AWBAVPKUYWCROT-QFBILLFUSA-N 1 3 348.506 3.725 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000480094124 1039145546 /nfs/dbraw/zinc/14/55/46/1039145546.db2.gz OTXYEFAGPBFJFA-TZIWHRDSSA-N 1 3 343.559 3.751 20 0 EHADHO COc1cccc(SCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113675 1039198332 /nfs/dbraw/zinc/19/83/32/1039198332.db2.gz COCVVIASBRGNLQ-OXJNMPFZSA-N 1 3 346.540 3.736 20 0 EHADHO COc1cccc(SCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113675 1039198340 /nfs/dbraw/zinc/19/83/40/1039198340.db2.gz COCVVIASBRGNLQ-OXJNMPFZSA-N 1 3 346.540 3.736 20 0 EHADHO Cc1cc(Br)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168362899 1039493611 /nfs/dbraw/zinc/49/36/11/1039493611.db2.gz MNDNEBAYULGKTC-UHFFFAOYSA-N 1 3 337.305 3.722 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](CCCc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000489133848 1039660338 /nfs/dbraw/zinc/66/03/38/1039660338.db2.gz DPGUDCYREFSEBL-HDICACEKSA-N 1 3 348.506 3.580 20 0 EHADHO COCc1cc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)ccc1OC ZINC000119862604 1040278377 /nfs/dbraw/zinc/27/83/77/1040278377.db2.gz PAYHXEKSJDPPSG-HNNXBMFYSA-N 1 3 334.504 3.755 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000667501634 1040311784 /nfs/dbraw/zinc/31/17/84/1040311784.db2.gz DTAOMDDWTVZFCJ-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000667501634 1040311802 /nfs/dbraw/zinc/31/18/02/1040311802.db2.gz DTAOMDDWTVZFCJ-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO CCN(CC)[C@H](CNC1CC[NH+](CC)CC1)c1ccccc1Cl ZINC000500047828 1040377694 /nfs/dbraw/zinc/37/76/94/1040377694.db2.gz DZGJCWPFDXTLEO-LJQANCHMSA-N 1 3 337.939 3.797 20 0 EHADHO CCN(CC)[C@H](C[NH2+]C1CCN(CC)CC1)c1ccccc1Cl ZINC000500047828 1040377707 /nfs/dbraw/zinc/37/77/07/1040377707.db2.gz DZGJCWPFDXTLEO-LJQANCHMSA-N 1 3 337.939 3.797 20 0 EHADHO c1ccc(-c2noc([C@H]3CCCCN3CCC3CC[NH2+]CC3)n2)cc1 ZINC000479671713 1040499901 /nfs/dbraw/zinc/49/99/01/1040499901.db2.gz AYWMLIAPNALYEL-GOSISDBHSA-N 1 3 340.471 3.653 20 0 EHADHO CSC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000433098599 1040737777 /nfs/dbraw/zinc/73/77/77/1040737777.db2.gz WCINQQXKBYKLQE-CEXWTWQISA-N 1 3 330.541 3.772 20 0 EHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cscc2C)CC1 ZINC000487192670 1040777558 /nfs/dbraw/zinc/77/75/58/1040777558.db2.gz FEHLAGUPWVQVOW-UHFFFAOYSA-N 1 3 343.540 3.878 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001167752545 1040848660 /nfs/dbraw/zinc/84/86/60/1040848660.db2.gz VXIZRTDJDAOBMB-MJGOQNOKSA-N 1 3 330.520 3.915 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001167752545 1040848678 /nfs/dbraw/zinc/84/86/78/1040848678.db2.gz VXIZRTDJDAOBMB-MJGOQNOKSA-N 1 3 330.520 3.915 20 0 EHADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000481723831 1041298880 /nfs/dbraw/zinc/29/88/80/1041298880.db2.gz BJHZCMJBUNVOGQ-KRWDZBQOSA-N 1 3 338.495 3.967 20 0 EHADHO C[C@H]1CN(CCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786347 1042032724 /nfs/dbraw/zinc/03/27/24/1042032724.db2.gz SZGMTJWFCQMKPN-XJKSGUPXSA-N 1 3 340.870 3.557 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549544164 1042069138 /nfs/dbraw/zinc/06/91/38/1042069138.db2.gz OKHPCZVFYJIFFQ-SQAAOVBZSA-N 1 3 330.516 3.658 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473148054 1042344649 /nfs/dbraw/zinc/34/46/49/1042344649.db2.gz YVAFNMYOURQDDA-IBGZPJMESA-N 1 3 343.515 3.717 20 0 EHADHO Cc1ccc(-c2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662291329 1042662168 /nfs/dbraw/zinc/66/21/68/1042662168.db2.gz DWZLGKRMNUQGJD-IBGZPJMESA-N 1 3 339.483 3.862 20 0 EHADHO O=C(C[C@@H]1NCc2ccccc21)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662381859 1042698295 /nfs/dbraw/zinc/69/82/95/1042698295.db2.gz IAPZFQIDCJZBSM-NRFANRHFSA-N 1 3 349.478 3.846 20 0 EHADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412089 1043117727 /nfs/dbraw/zinc/11/77/27/1043117727.db2.gz ACZDCKMCNRRFSX-HNAYVOBHSA-N 1 3 336.907 3.808 20 0 EHADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412089 1043117730 /nfs/dbraw/zinc/11/77/30/1043117730.db2.gz ACZDCKMCNRRFSX-HNAYVOBHSA-N 1 3 336.907 3.808 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@@H](C)C1 ZINC000279524184 1044181656 /nfs/dbraw/zinc/18/16/56/1044181656.db2.gz OPOOYRKSWLKIMO-YJBOKZPZSA-N 1 3 343.446 3.833 20 0 EHADHO O[C@H](CC1CCCC1)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243284 1044362244 /nfs/dbraw/zinc/36/22/44/1044362244.db2.gz KDXXDTDOAMIAAR-YADHBBJMSA-N 1 3 342.527 3.526 20 0 EHADHO O[C@H](CC1CCCC1)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512243284 1044362253 /nfs/dbraw/zinc/36/22/53/1044362253.db2.gz KDXXDTDOAMIAAR-YADHBBJMSA-N 1 3 342.527 3.526 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773333 1126860228 /nfs/dbraw/zinc/86/02/28/1126860228.db2.gz UFMVMDVFBBBLAV-DGCLKSJQSA-N 1 3 331.323 3.673 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773333 1126860233 /nfs/dbraw/zinc/86/02/33/1126860233.db2.gz UFMVMDVFBBBLAV-DGCLKSJQSA-N 1 3 331.323 3.673 20 0 EHADHO C[N@@H+]1CC[C@H](NCCc2csc(-c3ccccc3)n2)CC1(C)C ZINC000623342811 1126923058 /nfs/dbraw/zinc/92/30/58/1126923058.db2.gz POMJODAJXYGITH-INIZCTEOSA-N 1 3 329.513 3.815 20 0 EHADHO C[N@H+]1CC[C@H](NCCc2csc(-c3ccccc3)n2)CC1(C)C ZINC000623342811 1126923060 /nfs/dbraw/zinc/92/30/60/1126923060.db2.gz POMJODAJXYGITH-INIZCTEOSA-N 1 3 329.513 3.815 20 0 EHADHO CCN(CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344493 1126923319 /nfs/dbraw/zinc/92/33/19/1126923319.db2.gz OXDDXWIKXRDAOO-QUCCMNQESA-N 1 3 347.547 3.541 20 0 EHADHO CCN(CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344493 1126923322 /nfs/dbraw/zinc/92/33/22/1126923322.db2.gz OXDDXWIKXRDAOO-QUCCMNQESA-N 1 3 347.547 3.541 20 0 EHADHO C[C@H]1C[C@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@@H+]1C ZINC000180440902 1127156084 /nfs/dbraw/zinc/15/60/84/1127156084.db2.gz TWYBYVSHSBAGCS-XJKSGUPXSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@H]1C[C@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@H+]1C ZINC000180440902 1127156085 /nfs/dbraw/zinc/15/60/85/1127156085.db2.gz TWYBYVSHSBAGCS-XJKSGUPXSA-N 1 3 337.305 3.901 20 0 EHADHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(C)sc1C ZINC000623862164 1127200816 /nfs/dbraw/zinc/20/08/16/1127200816.db2.gz NVYPEUYJKBKYFE-LJQANCHMSA-N 1 3 337.577 3.823 20 0 EHADHO CSCc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000921544565 1127692306 /nfs/dbraw/zinc/69/23/06/1127692306.db2.gz AGMWXJUYDWIDSN-UHFFFAOYSA-N 1 3 344.524 3.780 20 0 EHADHO CCCCN(C)CCC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168585318 1128125079 /nfs/dbraw/zinc/12/50/79/1128125079.db2.gz HNXLTKMOPPLJNC-AZUAARDMSA-N 1 3 334.504 3.627 20 0 EHADHO Cn1nc(CCNC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000186487341 1120463896 /nfs/dbraw/zinc/46/38/96/1120463896.db2.gz KOHQDDNTZJLSGO-UHFFFAOYSA-N 1 3 340.515 3.503 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)c(F)c1 ZINC000186859257 1120477594 /nfs/dbraw/zinc/47/75/94/1120477594.db2.gz LPBWNAFFINVBMJ-IAGOWNOFSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c(F)c1 ZINC000186859257 1120477597 /nfs/dbraw/zinc/47/75/97/1120477597.db2.gz LPBWNAFFINVBMJ-IAGOWNOFSA-N 1 3 334.454 3.993 20 0 EHADHO CN1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494499584 1120573512 /nfs/dbraw/zinc/57/35/12/1120573512.db2.gz ZUKBMMDCGCNGKO-OLMNPRSZSA-N 1 3 340.870 3.773 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000397528112 1121770565 /nfs/dbraw/zinc/77/05/65/1121770565.db2.gz YWOZKKHCONXZDP-KRWDZBQOSA-N 1 3 342.458 3.503 20 0 EHADHO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126718427 1122420797 /nfs/dbraw/zinc/42/07/97/1122420797.db2.gz IDFSGVOXLXNCPW-IBGZPJMESA-N 1 3 337.511 3.593 20 0 EHADHO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000126747175 1122422149 /nfs/dbraw/zinc/42/21/49/1122422149.db2.gz KDDYQPMFKYQPEI-LJQANCHMSA-N 1 3 337.511 3.593 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000129539872 1122797481 /nfs/dbraw/zinc/79/74/81/1122797481.db2.gz NSOXBGGKEXVOMY-XUWVNRHRSA-N 1 3 336.442 3.587 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCCCC1 ZINC000078714583 1123647787 /nfs/dbraw/zinc/64/77/87/1123647787.db2.gz SLVLSYSMINFURX-SFHVURJKSA-N 1 3 343.515 3.876 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245470889 1123843629 /nfs/dbraw/zinc/84/36/29/1123843629.db2.gz WWPYBXNYYDDKRI-KHYOSLBOSA-N 1 3 340.458 3.752 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246027830 1124002571 /nfs/dbraw/zinc/00/25/71/1124002571.db2.gz XKXYZSIZOPQVTB-XYPHTWIQSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246027830 1124002576 /nfs/dbraw/zinc/00/25/76/1124002576.db2.gz XKXYZSIZOPQVTB-XYPHTWIQSA-N 1 3 337.305 3.597 20 0 EHADHO CC[N@@H+]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000248046003 1124637063 /nfs/dbraw/zinc/63/70/63/1124637063.db2.gz VDXRGILABDWVEH-MAUKXSAKSA-N 1 3 329.513 3.673 20 0 EHADHO CC[N@H+]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000248046003 1124637068 /nfs/dbraw/zinc/63/70/68/1124637068.db2.gz VDXRGILABDWVEH-MAUKXSAKSA-N 1 3 329.513 3.673 20 0 EHADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396022 1124655901 /nfs/dbraw/zinc/65/59/01/1124655901.db2.gz GRAURUWPANCTCH-FVTFTPSCSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067343 1129996509 /nfs/dbraw/zinc/99/65/09/1129996509.db2.gz IJAUTCMTIPLAFV-QFBILLFUSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1[nH]nc2ccccc21 ZINC000674067343 1129996512 /nfs/dbraw/zinc/99/65/12/1129996512.db2.gz IJAUTCMTIPLAFV-QFBILLFUSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1[nH]nc2ccccc21 ZINC000674067343 1129996515 /nfs/dbraw/zinc/99/65/15/1129996515.db2.gz IJAUTCMTIPLAFV-QFBILLFUSA-N 1 3 334.467 3.563 20 0 EHADHO c1cc2c(o1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166834 1130224569 /nfs/dbraw/zinc/22/45/69/1130224569.db2.gz POXSFVLCBOTCQS-IBGZPJMESA-N 1 3 325.456 3.554 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000675478272 1130399260 /nfs/dbraw/zinc/39/92/60/1130399260.db2.gz QKPGYAMUIMUKDP-YPGOJHLTSA-N 1 3 348.494 3.809 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000675478272 1130399264 /nfs/dbraw/zinc/39/92/64/1130399264.db2.gz QKPGYAMUIMUKDP-YPGOJHLTSA-N 1 3 348.494 3.809 20 0 EHADHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000766188056 1130649765 /nfs/dbraw/zinc/64/97/65/1130649765.db2.gz PXKIMFAGOQMQLQ-ZCNNSNEGSA-N 1 3 334.548 3.824 20 0 EHADHO CC(C)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccccn1 ZINC000736648201 1131429534 /nfs/dbraw/zinc/42/95/34/1131429534.db2.gz SVYATJOUPZPUPP-NRFANRHFSA-N 1 3 341.499 3.899 20 0 EHADHO CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001172432474 1131726054 /nfs/dbraw/zinc/72/60/54/1131726054.db2.gz BITHNQYRFMMVAK-GFOJFJKKSA-N 1 3 330.516 3.690 20 0 EHADHO CC1(C)CC([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)CC(C)(C)O1 ZINC001172653761 1131800515 /nfs/dbraw/zinc/80/05/15/1131800515.db2.gz QYDYTPSVNWYVTB-UHFFFAOYSA-N 1 3 348.506 3.898 20 0 EHADHO Cc1n[nH]cc1[C@H](C)[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000180774220 1131855052 /nfs/dbraw/zinc/85/50/52/1131855052.db2.gz WWYNJPKWLNKFDG-JYJNAYRXSA-N 1 3 326.488 3.525 20 0 EHADHO CCSC[C@H](C)N1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001173296726 1132031634 /nfs/dbraw/zinc/03/16/34/1132031634.db2.gz VWEMQEVEWSKYTB-AWEZNQCLSA-N 1 3 326.937 3.817 20 0 EHADHO CC(=O)Oc1ccc(C2CCC([N@@H+](CCCN)C(C)C)CC2)cc1 ZINC001173782245 1132146584 /nfs/dbraw/zinc/14/65/84/1132146584.db2.gz ZJZNVDHKLNJCEX-UHFFFAOYSA-N 1 3 332.488 3.697 20 0 EHADHO CC(=O)Oc1ccc(C2CCC([N@H+](CCCN)C(C)C)CC2)cc1 ZINC001173782245 1132146588 /nfs/dbraw/zinc/14/65/88/1132146588.db2.gz ZJZNVDHKLNJCEX-UHFFFAOYSA-N 1 3 332.488 3.697 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1OCc1ccccc1 ZINC000182255352 1132222447 /nfs/dbraw/zinc/22/24/47/1132222447.db2.gz FLBYQEHFBKDVBN-UAFMIMERSA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1OCc1ccccc1 ZINC000182255352 1132222452 /nfs/dbraw/zinc/22/24/52/1132222452.db2.gz FLBYQEHFBKDVBN-UAFMIMERSA-N 1 3 328.500 3.587 20 0 EHADHO CC[NH+]1CCC(NCc2ccc3ncc(Br)cc3c2)CC1 ZINC001169232857 1132703931 /nfs/dbraw/zinc/70/39/31/1132703931.db2.gz FUNQNCIIWHOSTF-UHFFFAOYSA-N 1 3 348.288 3.571 20 0 EHADHO c1ccc2c(c1)CCN2CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001177180702 1133040640 /nfs/dbraw/zinc/04/06/40/1133040640.db2.gz FONYYCRDLWAWDB-UHFFFAOYSA-N 1 3 341.543 3.826 20 0 EHADHO CC[NH+]1CCC(CNCc2cccc(C)c2Br)CC1 ZINC001177736811 1133097065 /nfs/dbraw/zinc/09/70/65/1133097065.db2.gz AVZIULNYAJERSO-UHFFFAOYSA-N 1 3 325.294 3.579 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000769483175 1133288048 /nfs/dbraw/zinc/28/80/48/1133288048.db2.gz GUPUBRGFAZLLHD-MLGOLLRUSA-N 1 3 346.544 3.779 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000769483175 1133288053 /nfs/dbraw/zinc/28/80/53/1133288053.db2.gz GUPUBRGFAZLLHD-MLGOLLRUSA-N 1 3 346.544 3.779 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC001180125168 1133334738 /nfs/dbraw/zinc/33/47/38/1133334738.db2.gz UQIGKPMKZZMCLN-UHFFFAOYSA-N 1 3 332.536 3.627 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC001180125168 1133334747 /nfs/dbraw/zinc/33/47/47/1133334747.db2.gz UQIGKPMKZZMCLN-UHFFFAOYSA-N 1 3 332.536 3.627 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1 ZINC001181244685 1133467951 /nfs/dbraw/zinc/46/79/51/1133467951.db2.gz WJESQABKVCSKFX-QEZSOMHNSA-N 1 3 346.490 3.695 20 0 EHADHO C[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@@H]1O ZINC001181505423 1133494843 /nfs/dbraw/zinc/49/48/43/1133494843.db2.gz GRIARWNCUKFVIJ-CBQOVEMMSA-N 1 3 344.543 3.628 20 0 EHADHO C[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@@H]1O ZINC001181505423 1133494849 /nfs/dbraw/zinc/49/48/49/1133494849.db2.gz GRIARWNCUKFVIJ-CBQOVEMMSA-N 1 3 344.543 3.628 20 0 EHADHO C[C@H]1COCC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183930997 1133873860 /nfs/dbraw/zinc/87/38/60/1133873860.db2.gz YUWLRVIGDGOXKF-DENIHFKCSA-N 1 3 344.543 3.893 20 0 EHADHO C[C@H]1COCC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183930997 1133873867 /nfs/dbraw/zinc/87/38/67/1133873867.db2.gz YUWLRVIGDGOXKF-DENIHFKCSA-N 1 3 344.543 3.893 20 0 EHADHO CC(C)[N@H+](C)CCCN[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788244593 1134099135 /nfs/dbraw/zinc/09/91/35/1134099135.db2.gz NTKYXVSBJSOVJC-IRXDYDNUSA-N 1 3 341.540 3.532 20 0 EHADHO CC(C)[N@@H+](C)CCCN[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788244593 1134099138 /nfs/dbraw/zinc/09/91/38/1134099138.db2.gz NTKYXVSBJSOVJC-IRXDYDNUSA-N 1 3 341.540 3.532 20 0 EHADHO Cn1cc(-c2ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)s2)cn1 ZINC000509459397 1134879051 /nfs/dbraw/zinc/87/90/51/1134879051.db2.gz LJUHDBPMEGWDMP-QGZVFWFLSA-N 1 3 334.533 3.605 20 0 EHADHO CC[C@@H](C)CN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510105 1136030581 /nfs/dbraw/zinc/03/05/81/1136030581.db2.gz XPTWOVWISNYDAS-SJLPKXTDSA-N 1 3 337.458 3.661 20 0 EHADHO CC[C@@H](C)CN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510105 1136030585 /nfs/dbraw/zinc/03/05/85/1136030585.db2.gz XPTWOVWISNYDAS-SJLPKXTDSA-N 1 3 337.458 3.661 20 0 EHADHO C[C@H]1C[N@H+](CCCNCc2ccc(F)c3ccccc23)CCCO1 ZINC001201973296 1136080074 /nfs/dbraw/zinc/08/00/74/1136080074.db2.gz ZUKMWWOLJHIBMS-INIZCTEOSA-N 1 3 330.447 3.569 20 0 EHADHO C[C@H]1C[N@@H+](CCCNCc2ccc(F)c3ccccc23)CCCO1 ZINC001201973296 1136080078 /nfs/dbraw/zinc/08/00/78/1136080078.db2.gz ZUKMWWOLJHIBMS-INIZCTEOSA-N 1 3 330.447 3.569 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001170688092 1136258047 /nfs/dbraw/zinc/25/80/47/1136258047.db2.gz RZNBANSWHLAAOL-QFBILLFUSA-N 1 3 346.478 3.978 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001170688092 1136258053 /nfs/dbraw/zinc/25/80/53/1136258053.db2.gz RZNBANSWHLAAOL-QFBILLFUSA-N 1 3 346.478 3.978 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2SCCS2)CC1 ZINC000850571186 1136289087 /nfs/dbraw/zinc/28/90/87/1136289087.db2.gz RXDWOCSQGZGBJH-HOCLYGCPSA-N 1 3 328.591 3.815 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1SC(C)(C)C ZINC000815582720 1136614687 /nfs/dbraw/zinc/61/46/87/1136614687.db2.gz NRUKRVRQNFBMFI-OAHLLOKOSA-N 1 3 336.545 3.685 20 0 EHADHO CC/C=C\CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604830 1136797977 /nfs/dbraw/zinc/79/79/77/1136797977.db2.gz RWLXHAMWUPUEIN-PXDRNWIDSA-N 1 3 331.504 3.731 20 0 EHADHO CC/C=C\CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604830 1136797980 /nfs/dbraw/zinc/79/79/80/1136797980.db2.gz RWLXHAMWUPUEIN-PXDRNWIDSA-N 1 3 331.504 3.731 20 0 EHADHO COCc1cc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1OC ZINC000817963319 1136852347 /nfs/dbraw/zinc/85/23/47/1136852347.db2.gz QVUOXPUCNAJXJF-GJZGRUSLSA-N 1 3 328.456 3.712 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)c1c(F)cccc1F ZINC000818943391 1136893449 /nfs/dbraw/zinc/89/34/49/1136893449.db2.gz SERZZTDWLULOPF-LJQANCHMSA-N 1 3 348.437 3.630 20 0 EHADHO CCCCN1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819042524 1136901316 /nfs/dbraw/zinc/90/13/16/1136901316.db2.gz JJGNZAANROQUSW-QGZVFWFLSA-N 1 3 344.421 3.593 20 0 EHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857864986 1136914926 /nfs/dbraw/zinc/91/49/26/1136914926.db2.gz JDNQSSWCSLCTJZ-RBUKOAKNSA-N 1 3 338.499 3.677 20 0 EHADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015224 1136931925 /nfs/dbraw/zinc/93/19/25/1136931925.db2.gz SZHDFZPLRNJYLC-UXHICEINSA-N 1 3 343.515 3.677 20 0 EHADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015224 1136931926 /nfs/dbraw/zinc/93/19/26/1136931926.db2.gz SZHDFZPLRNJYLC-UXHICEINSA-N 1 3 343.515 3.677 20 0 EHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc(C2CC2)o1 ZINC000862324566 1137138444 /nfs/dbraw/zinc/13/84/44/1137138444.db2.gz PBBURJXAVCIUST-UHFFFAOYSA-N 1 3 340.471 3.686 20 0 EHADHO C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246346299 1137150086 /nfs/dbraw/zinc/15/00/86/1137150086.db2.gz IRURASSWNHFDNA-TZMCWYRMSA-N 1 3 325.294 3.500 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246346299 1137150088 /nfs/dbraw/zinc/15/00/88/1137150088.db2.gz IRURASSWNHFDNA-TZMCWYRMSA-N 1 3 325.294 3.500 20 0 EHADHO Fc1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cnc1Cl ZINC000865435256 1137283238 /nfs/dbraw/zinc/28/32/38/1137283238.db2.gz FKNBUPUUQPVTJI-INIZCTEOSA-N 1 3 347.865 3.876 20 0 EHADHO Cn1cc([C@H](NC2CCC(C)([NH+](C)C)CC2)c2cccc(F)c2)cn1 ZINC000866517407 1137360986 /nfs/dbraw/zinc/36/09/86/1137360986.db2.gz XYGYVKSBPSLJQC-IOJLRTSASA-N 1 3 344.478 3.501 20 0 EHADHO C[C@H]([NH3+])[C@H](NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000925494410 1137428031 /nfs/dbraw/zinc/42/80/31/1137428031.db2.gz POHSYBNEMSYLQF-IEZWGBDMSA-N 1 3 329.513 3.563 20 0 EHADHO Cc1csc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000716703008 1137488477 /nfs/dbraw/zinc/48/84/77/1137488477.db2.gz WCRBUWJERMNQAI-OTWHNJEPSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1csc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716703008 1137488478 /nfs/dbraw/zinc/48/84/78/1137488478.db2.gz WCRBUWJERMNQAI-OTWHNJEPSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1csc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716703008 1137488480 /nfs/dbraw/zinc/48/84/80/1137488480.db2.gz WCRBUWJERMNQAI-OTWHNJEPSA-N 1 3 341.524 3.637 20 0 EHADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505295 1137494653 /nfs/dbraw/zinc/49/46/53/1137494653.db2.gz HVTBKFLLABXLTM-UKRRQHHQSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505295 1137494654 /nfs/dbraw/zinc/49/46/54/1137494654.db2.gz HVTBKFLLABXLTM-UKRRQHHQSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505295 1137494655 /nfs/dbraw/zinc/49/46/55/1137494655.db2.gz HVTBKFLLABXLTM-UKRRQHHQSA-N 1 3 340.433 3.815 20 0 EHADHO Cc1cccc2c1CC[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)C2 ZINC001171560587 1137498216 /nfs/dbraw/zinc/49/82/16/1137498216.db2.gz TVOCFQNBOQQPQK-JOCHJYFZSA-N 1 3 349.522 3.749 20 0 EHADHO Cn1cc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c2ccccc21 ZINC001171623372 1137501331 /nfs/dbraw/zinc/50/13/31/1137501331.db2.gz VVBKYMNAZMVEOO-UHFFFAOYSA-N 1 3 327.516 3.962 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001171967647 1137520777 /nfs/dbraw/zinc/52/07/77/1137520777.db2.gz PADYUHRDIDYGMS-IMJJTQAJSA-N 1 3 326.406 3.520 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001171967647 1137520779 /nfs/dbraw/zinc/52/07/79/1137520779.db2.gz PADYUHRDIDYGMS-IMJJTQAJSA-N 1 3 326.406 3.520 20 0 EHADHO CC1(C)C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)CCN1Cc1ccccc1 ZINC001171988869 1137522586 /nfs/dbraw/zinc/52/25/86/1137522586.db2.gz WVCSTRRCOGTUPW-ROUUACIJSA-N 1 3 348.531 3.959 20 0 EHADHO CC(C)N1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172081022 1137531118 /nfs/dbraw/zinc/53/11/18/1137531118.db2.gz ZFLLBJZZNJRJCR-KOUNCHBCSA-N 1 3 341.543 3.598 20 0 EHADHO CC(C)N1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081022 1137531120 /nfs/dbraw/zinc/53/11/20/1137531120.db2.gz ZFLLBJZZNJRJCR-KOUNCHBCSA-N 1 3 341.543 3.598 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC001172101146 1137531748 /nfs/dbraw/zinc/53/17/48/1137531748.db2.gz WOBLCSRTGMCWJN-XYYAHUGASA-N 1 3 329.307 3.616 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC001172101658 1137532139 /nfs/dbraw/zinc/53/21/39/1137532139.db2.gz HFGROSDUFCQHME-PHZGNYQRSA-N 1 3 330.369 3.949 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106494 1137537092 /nfs/dbraw/zinc/53/70/92/1137537092.db2.gz POKOHPIJGZBVLL-NXWNEQKCSA-N 1 3 338.495 3.868 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106494 1137537093 /nfs/dbraw/zinc/53/70/93/1137537093.db2.gz POKOHPIJGZBVLL-NXWNEQKCSA-N 1 3 338.495 3.868 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001172108467 1137537182 /nfs/dbraw/zinc/53/71/82/1137537182.db2.gz WRCVVWMBVMFBPW-ZSOGYDGISA-N 1 3 341.268 3.693 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000872020339 1137565016 /nfs/dbraw/zinc/56/50/16/1137565016.db2.gz GFCWMRRYMLNKFL-KXBFYZLASA-N 1 3 344.499 3.545 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020339 1137565017 /nfs/dbraw/zinc/56/50/17/1137565017.db2.gz GFCWMRRYMLNKFL-KXBFYZLASA-N 1 3 344.499 3.545 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000872020338 1137565134 /nfs/dbraw/zinc/56/51/34/1137565134.db2.gz GFCWMRRYMLNKFL-HNAYVOBHSA-N 1 3 344.499 3.545 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020338 1137565135 /nfs/dbraw/zinc/56/51/35/1137565135.db2.gz GFCWMRRYMLNKFL-HNAYVOBHSA-N 1 3 344.499 3.545 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872023591 1137565582 /nfs/dbraw/zinc/56/55/82/1137565582.db2.gz SQZDLLJGRVFUCQ-SFHVURJKSA-N 1 3 347.572 3.619 20 0 EHADHO [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000872148963 1137573956 /nfs/dbraw/zinc/57/39/56/1137573956.db2.gz JMSSSRDYFGCGLO-MWQQHZPXSA-N 1 3 326.406 3.639 20 0 EHADHO [NH3+]C[C@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000872148964 1137574123 /nfs/dbraw/zinc/57/41/23/1137574123.db2.gz JMSSSRDYFGCGLO-MXASKKJJSA-N 1 3 326.406 3.639 20 0 EHADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1csc2ccccc21 ZINC000877008786 1137667510 /nfs/dbraw/zinc/66/75/10/1137667510.db2.gz PRWSFQSTHCWYAK-AWEZNQCLSA-N 1 3 332.513 3.787 20 0 EHADHO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877085349 1137669919 /nfs/dbraw/zinc/66/99/19/1137669919.db2.gz UJTUMFZPSZVAJS-IVZQSRNASA-N 1 3 330.453 3.706 20 0 EHADHO CN1CCCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239012 1137849993 /nfs/dbraw/zinc/84/99/93/1137849993.db2.gz TYVWPGXWNUFWCJ-JXFKEZNVSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@@H+]1CCCC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239012 1137849994 /nfs/dbraw/zinc/84/99/94/1137849994.db2.gz TYVWPGXWNUFWCJ-JXFKEZNVSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@H+]1CCCC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239012 1137849995 /nfs/dbraw/zinc/84/99/95/1137849995.db2.gz TYVWPGXWNUFWCJ-JXFKEZNVSA-N 1 3 334.479 3.615 20 0 EHADHO CN(Cc1ccc(Cl)cc1Br)C1CCC([NH3+])CC1 ZINC000132991698 1137874427 /nfs/dbraw/zinc/87/44/27/1137874427.db2.gz YMQDCVSZEAQTIG-UHFFFAOYSA-N 1 3 331.685 3.804 20 0 EHADHO Cc1ncc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000103142859 1137875324 /nfs/dbraw/zinc/87/53/24/1137875324.db2.gz WABMQFIJEAMFFC-UHFFFAOYSA-N 1 3 329.513 3.796 20 0 EHADHO Cc1ncc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000103142859 1137875325 /nfs/dbraw/zinc/87/53/25/1137875325.db2.gz WABMQFIJEAMFFC-UHFFFAOYSA-N 1 3 329.513 3.796 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C ZINC000885923416 1138025012 /nfs/dbraw/zinc/02/50/12/1138025012.db2.gz ZMWDCIHWRJXFFB-OAHLLOKOSA-N 1 3 326.488 3.691 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C ZINC000885923416 1138025014 /nfs/dbraw/zinc/02/50/14/1138025014.db2.gz ZMWDCIHWRJXFFB-OAHLLOKOSA-N 1 3 326.488 3.691 20 0 EHADHO CCOCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886554862 1138095266 /nfs/dbraw/zinc/09/52/66/1138095266.db2.gz FCJINHYVWIVDCI-HBMCJLEFSA-N 1 3 342.527 3.836 20 0 EHADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000121639029 1138247845 /nfs/dbraw/zinc/24/78/45/1138247845.db2.gz VBKIUOUTMIZIRQ-UHFFFAOYSA-N 1 3 329.513 3.974 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749424 1139150104 /nfs/dbraw/zinc/15/01/04/1139150104.db2.gz JWQIPWHVEYFMNK-ZRGWGRIASA-N 1 3 343.446 3.831 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000188656779 1140304048 /nfs/dbraw/zinc/30/40/48/1140304048.db2.gz LRSZKPPJSDAVOW-IAGOWNOFSA-N 1 3 338.417 3.953 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000188656779 1140304051 /nfs/dbraw/zinc/30/40/51/1140304051.db2.gz LRSZKPPJSDAVOW-IAGOWNOFSA-N 1 3 338.417 3.953 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548229 1141394481 /nfs/dbraw/zinc/39/44/81/1141394481.db2.gz UNLXGVVVAYMCPS-JBBXEZCESA-N 1 3 340.870 3.508 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000283191679 1141570624 /nfs/dbraw/zinc/57/06/24/1141570624.db2.gz FSBORLQSWOGAID-LJQANCHMSA-N 1 3 329.532 3.628 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000283191679 1141570626 /nfs/dbraw/zinc/57/06/26/1141570626.db2.gz FSBORLQSWOGAID-LJQANCHMSA-N 1 3 329.532 3.628 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(Br)cc1 ZINC000037643713 202024471 /nfs/dbraw/zinc/02/44/71/202024471.db2.gz VHFKCYBQLDTKLS-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643713 202024474 /nfs/dbraw/zinc/02/44/74/202024474.db2.gz VHFKCYBQLDTKLS-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643713 202024477 /nfs/dbraw/zinc/02/44/77/202024477.db2.gz VHFKCYBQLDTKLS-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO c1nc2cc(C[N@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284368 1032063269 /nfs/dbraw/zinc/06/32/69/1032063269.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 1 3 346.478 3.517 20 0 EHADHO c1nc2cc(C[N@@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284368 1032063285 /nfs/dbraw/zinc/06/32/85/1032063285.db2.gz IISGKBZWLXRPTL-UXHICEINSA-N 1 3 346.478 3.517 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000305773037 1125463281 /nfs/dbraw/zinc/46/32/81/1125463281.db2.gz VLGCSTLFWILJAW-NWANDNLSSA-N 1 3 342.936 3.820 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CC2)OC(C)(C)c2ccccc23)C1 ZINC001208612281 1015071502 /nfs/dbraw/zinc/07/15/02/1015071502.db2.gz MBUBXTIMDLTPJX-QGZVFWFLSA-N 1 3 328.500 3.585 20 0 EHADHO C[N@H+]1CCC[C@@H](CN2CCC3(CC2)OC(C)(C)c2ccccc23)C1 ZINC001208612281 1015071509 /nfs/dbraw/zinc/07/15/09/1015071509.db2.gz MBUBXTIMDLTPJX-QGZVFWFLSA-N 1 3 328.500 3.585 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000155204223 1016300585 /nfs/dbraw/zinc/30/05/85/1016300585.db2.gz QWDBOPHHBCHCHP-QAPCUYQASA-N 1 3 336.907 3.567 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238097 1016751514 /nfs/dbraw/zinc/75/15/14/1016751514.db2.gz YAANYPHIUDCBJB-APWZRJJASA-N 1 3 332.488 3.634 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)c(F)c1 ZINC000624122371 1016926530 /nfs/dbraw/zinc/92/65/30/1016926530.db2.gz PIZQDRISQFANPM-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840735 1032184472 /nfs/dbraw/zinc/18/44/72/1032184472.db2.gz IJGGRYJYHVWIST-HZPDHXFCSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840735 1032184481 /nfs/dbraw/zinc/18/44/81/1032184481.db2.gz IJGGRYJYHVWIST-HZPDHXFCSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840735 1032184485 /nfs/dbraw/zinc/18/44/85/1032184485.db2.gz IJGGRYJYHVWIST-HZPDHXFCSA-N 1 3 342.483 3.849 20 0 EHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000183955184 1032247159 /nfs/dbraw/zinc/24/71/59/1032247159.db2.gz SWRUHWGWTGAZPP-QGZVFWFLSA-N 1 3 343.515 3.586 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000089513061 1032543975 /nfs/dbraw/zinc/54/39/75/1032543975.db2.gz TVNLZCOEIQANDG-UHFFFAOYSA-N 1 3 347.522 3.643 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449486067 1032641849 /nfs/dbraw/zinc/64/18/49/1032641849.db2.gz SMJKMYOSEZVMKL-GHTZIAJQSA-N 1 3 329.532 3.955 20 0 EHADHO Cc1ccc(Br)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000313750146 1017533512 /nfs/dbraw/zinc/53/35/12/1017533512.db2.gz MRLFGAOHNJXINL-UHFFFAOYSA-N 1 3 325.294 3.531 20 0 EHADHO C[C@@H](CNC[C@]1(C)CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415089149 1017536917 /nfs/dbraw/zinc/53/69/17/1017536917.db2.gz MYGYCIQIRLZJIZ-SWLSCSKDSA-N 1 3 343.334 3.519 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129997 1017595330 /nfs/dbraw/zinc/59/53/30/1017595330.db2.gz WCTMNNQGHJXOQP-LPHOPBHVSA-N 1 3 336.907 3.621 20 0 EHADHO COc1cc(F)c([C@H](C)NCCCCC[NH+]2CCCC2)cc1OC ZINC000340476458 1018025963 /nfs/dbraw/zinc/02/59/63/1018025963.db2.gz QISMXDRIFYVUJN-HNNXBMFYSA-N 1 3 338.467 3.760 20 0 EHADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1)C(C)C ZINC000340536754 1018311320 /nfs/dbraw/zinc/31/13/20/1018311320.db2.gz JGPOCKQHLAIBSM-UHFFFAOYSA-N 1 3 347.547 3.577 20 0 EHADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1)C(C)C ZINC000340536754 1018311334 /nfs/dbraw/zinc/31/13/34/1018311334.db2.gz JGPOCKQHLAIBSM-UHFFFAOYSA-N 1 3 347.547 3.577 20 0 EHADHO CCC[NH+]1CCC(NC[C@H](c2cccc(OC)c2)N(CC)CC)CC1 ZINC000135955790 1018452326 /nfs/dbraw/zinc/45/23/26/1018452326.db2.gz ALXLDRGIVVGRAT-OAQYLSRUSA-N 1 3 347.547 3.542 20 0 EHADHO CCCCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000449554544 1032786834 /nfs/dbraw/zinc/78/68/34/1032786834.db2.gz CEVKIIPUXHITDA-AYHJJNSGSA-N 1 3 332.488 3.589 20 0 EHADHO c1ccc(C[NH+]2CCC(CNc3ccnc4ccccc43)CC2)cc1 ZINC000397657823 1018851731 /nfs/dbraw/zinc/85/17/31/1018851731.db2.gz ZBNKAEABFUJBAC-UHFFFAOYSA-N 1 3 331.463 3.981 20 0 EHADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)sc1Br ZINC000449557692 1032796965 /nfs/dbraw/zinc/79/69/65/1032796965.db2.gz SDJILWKOOHOSAM-YOGCLGLASA-N 1 3 329.307 3.534 20 0 EHADHO C[N@H+](CCCc1nc(-c2cccs2)no1)C(C)(C)CN1CCCC1 ZINC000419376331 1018983660 /nfs/dbraw/zinc/98/36/60/1018983660.db2.gz ONAZPWJFFNRDCO-UHFFFAOYSA-N 1 3 348.516 3.537 20 0 EHADHO C[N@@H+](CCCc1nc(-c2cccs2)no1)C(C)(C)CN1CCCC1 ZINC000419376331 1018983671 /nfs/dbraw/zinc/98/36/71/1018983671.db2.gz ONAZPWJFFNRDCO-UHFFFAOYSA-N 1 3 348.516 3.537 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000092587294 1032833150 /nfs/dbraw/zinc/83/31/50/1032833150.db2.gz RZNTZIZXCHVOEQ-GKJHBJHPSA-N 1 3 342.527 3.611 20 0 EHADHO c1ccc(CN2CCC[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656493967 1020729584 /nfs/dbraw/zinc/72/95/84/1020729584.db2.gz RULXTIGBVZSUKM-LJQANCHMSA-N 1 3 335.495 3.572 20 0 EHADHO Cc1ccc(CC[N@@H+](CC[C@H]2CCCN2C)C[C@H]2CCCO2)cc1 ZINC001167461850 1020906441 /nfs/dbraw/zinc/90/64/41/1020906441.db2.gz UAQGSWGZRHYZNV-NHCUHLMSSA-N 1 3 330.516 3.503 20 0 EHADHO Cc1ccc(CC[N@H+](CC[C@H]2CCCN2C)C[C@H]2CCCO2)cc1 ZINC001167461850 1020906443 /nfs/dbraw/zinc/90/64/43/1020906443.db2.gz UAQGSWGZRHYZNV-NHCUHLMSSA-N 1 3 330.516 3.503 20 0 EHADHO Cc1nc(C)c(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000341252860 1021199110 /nfs/dbraw/zinc/19/91/10/1021199110.db2.gz GYKXWEORUUOUEN-UHFFFAOYSA-N 1 3 345.512 3.523 20 0 EHADHO C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000564911773 1021640744 /nfs/dbraw/zinc/64/07/44/1021640744.db2.gz LIQZAYZGCQALCG-MOPGFXCFSA-N 1 3 329.532 3.756 20 0 EHADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542704 1021666732 /nfs/dbraw/zinc/66/67/32/1021666732.db2.gz CYCWXDNKYMIYDF-KBPBESRZSA-N 1 3 330.394 3.534 20 0 EHADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415008366 1021931043 /nfs/dbraw/zinc/93/10/43/1021931043.db2.gz SLAPKBPIKCWCHC-DUVNUKRYSA-N 1 3 332.385 3.839 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000441041798 1021939300 /nfs/dbraw/zinc/93/93/00/1021939300.db2.gz OHZHXADOHWNUPD-UXHICEINSA-N 1 3 335.580 3.693 20 0 EHADHO CCCc1ccc2nccc(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000664653448 1022094012 /nfs/dbraw/zinc/09/40/12/1022094012.db2.gz AHLFNQRSXAEROM-GOSISDBHSA-N 1 3 341.499 3.734 20 0 EHADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000517714127 1022604694 /nfs/dbraw/zinc/60/46/94/1022604694.db2.gz TXYLURIBIJEBTN-UCLAIMLFSA-N 1 3 332.488 3.801 20 0 EHADHO C[C@@H]1CN(CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430926714 1022879324 /nfs/dbraw/zinc/87/93/24/1022879324.db2.gz GXGNCKWURLUCGR-CJNGLKHVSA-N 1 3 330.394 3.534 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430939442 1022916060 /nfs/dbraw/zinc/91/60/60/1022916060.db2.gz GIYQWIPSENTZHE-UHFFFAOYSA-N 1 3 338.499 3.571 20 0 EHADHO CN1CCC([N@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001168001705 1023297531 /nfs/dbraw/zinc/29/75/31/1023297531.db2.gz GJQIAPAPEUDLQL-CBQGHPETSA-N 1 3 345.575 3.731 20 0 EHADHO CN1CCC([N@@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001168001705 1023297534 /nfs/dbraw/zinc/29/75/34/1023297534.db2.gz GJQIAPAPEUDLQL-CBQGHPETSA-N 1 3 345.575 3.731 20 0 EHADHO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483042 1023471270 /nfs/dbraw/zinc/47/12/70/1023471270.db2.gz PAPPYZZTRGAELU-GHTZIAJQSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H](NCc1cccc(N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483042 1023471275 /nfs/dbraw/zinc/47/12/75/1023471275.db2.gz PAPPYZZTRGAELU-GHTZIAJQSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H](NCc1cccc(N(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483042 1023471278 /nfs/dbraw/zinc/47/12/78/1023471278.db2.gz PAPPYZZTRGAELU-GHTZIAJQSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H]1CC([NH2+]C2CCN(C3CC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168019212 1023987956 /nfs/dbraw/zinc/98/79/56/1023987956.db2.gz HMWXINQTQIGDOA-QZTJIDSGSA-N 1 3 341.543 3.644 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N(C)C)c1 ZINC000514220937 1024232020 /nfs/dbraw/zinc/23/20/20/1024232020.db2.gz DDSDIFARDLUCDE-AVRDEDQJSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N(C)C)c1 ZINC000514220937 1024232029 /nfs/dbraw/zinc/23/20/29/1024232029.db2.gz DDSDIFARDLUCDE-AVRDEDQJSA-N 1 3 337.511 3.753 20 0 EHADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000510006746 1024373059 /nfs/dbraw/zinc/37/30/59/1024373059.db2.gz JDLNIBWLRIBYKV-LGMDPLHJSA-N 1 3 328.500 3.700 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000727469242 1024373345 /nfs/dbraw/zinc/37/33/45/1024373345.db2.gz RIALQOOFICXVSM-UHFFFAOYSA-N 1 3 349.478 3.855 20 0 EHADHO CCN1CCC[C@H]1C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168005895 1024376698 /nfs/dbraw/zinc/37/66/98/1024376698.db2.gz KTMIFNRMNNCBHQ-WFXMLNOXSA-N 1 3 329.532 3.502 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1C ZINC000414854531 1024440200 /nfs/dbraw/zinc/44/02/00/1024440200.db2.gz VDENIPADOVJKIV-KXBFYZLASA-N 1 3 331.504 3.518 20 0 EHADHO CCn1nc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000472047057 1024474738 /nfs/dbraw/zinc/47/47/38/1024474738.db2.gz DICAYCDMMLRIHE-KRWDZBQOSA-N 1 3 328.504 3.800 20 0 EHADHO CCn1nc(CNCCCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000472047057 1024474747 /nfs/dbraw/zinc/47/47/47/1024474747.db2.gz DICAYCDMMLRIHE-KRWDZBQOSA-N 1 3 328.504 3.800 20 0 EHADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)ccc1Oc1cccnc1 ZINC000430138359 1024667510 /nfs/dbraw/zinc/66/75/10/1024667510.db2.gz YKKZXFKOLJPAFZ-NRFANRHFSA-N 1 3 337.467 3.710 20 0 EHADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)ccc1Oc1cccnc1 ZINC000430138359 1024667520 /nfs/dbraw/zinc/66/75/20/1024667520.db2.gz YKKZXFKOLJPAFZ-NRFANRHFSA-N 1 3 337.467 3.710 20 0 EHADHO CCOC(=O)CC1(NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168032864 1024750058 /nfs/dbraw/zinc/75/00/58/1024750058.db2.gz IKEBLDUHKOKXAL-IRXDYDNUSA-N 1 3 344.499 3.503 20 0 EHADHO COc1cccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425891 1024912564 /nfs/dbraw/zinc/91/25/64/1024912564.db2.gz FFTTZONLAKFSNS-LJQANCHMSA-N 1 3 342.508 3.901 20 0 EHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CC4(C3)COC(C)(C)C4)CC2)C1 ZINC000897973304 1033249185 /nfs/dbraw/zinc/24/91/85/1033249185.db2.gz QQYWFAHHIYMHNJ-OHESCVLLSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000414872868 1025100219 /nfs/dbraw/zinc/10/02/19/1025100219.db2.gz GJZOUGXUWYLMBY-SEGSZSROSA-N 1 3 342.527 3.801 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436246180 1025494598 /nfs/dbraw/zinc/49/45/98/1025494598.db2.gz YAKKMCBCPNBTSM-NPDDRXJXSA-N 1 3 344.543 3.877 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530213696 1025507734 /nfs/dbraw/zinc/50/77/34/1025507734.db2.gz VGSCIPUFILEOIF-AUQCOVCCSA-N 1 3 326.871 3.526 20 0 EHADHO C[NH+](C)Cc1cc(CNCc2cccc(OC3CC3)c2F)ccc1F ZINC000657362799 1025514198 /nfs/dbraw/zinc/51/41/98/1025514198.db2.gz IMNILRCLJRVDOV-UHFFFAOYSA-N 1 3 346.421 3.857 20 0 EHADHO CN1CCN(CC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1(C)C ZINC000442860141 1025532815 /nfs/dbraw/zinc/53/28/15/1025532815.db2.gz BGCQACSLXBFCBR-FQEVSTJZSA-N 1 3 347.522 3.673 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc3ccncc3s2)[C@H](C)C1 ZINC000657364448 1025545997 /nfs/dbraw/zinc/54/59/97/1025545997.db2.gz VQPCGMUICGTJNM-CRAIPNDOSA-N 1 3 347.528 3.523 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc3ccncc3s2)[C@H](C)C1 ZINC000657364448 1025546001 /nfs/dbraw/zinc/54/60/01/1025546001.db2.gz VQPCGMUICGTJNM-CRAIPNDOSA-N 1 3 347.528 3.523 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(F)c(OC(F)(F)F)c3)C2)CC1 ZINC001143444022 1025716897 /nfs/dbraw/zinc/71/68/97/1025716897.db2.gz XDPXXKLFUZTUES-UHFFFAOYSA-N 1 3 346.368 3.642 20 0 EHADHO CCCCN1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168053301 1026036223 /nfs/dbraw/zinc/03/62/23/1026036223.db2.gz NEDYUHZVFUXYCB-PMACEKPBSA-N 1 3 343.559 3.846 20 0 EHADHO COc1ccc(C[C@@H](C)C[N@@H+]2CCCC23CCN(C)CC3)cc1F ZINC000475116904 1026195052 /nfs/dbraw/zinc/19/50/52/1026195052.db2.gz GAKOOXHVDBTUKI-MRXNPFEDSA-N 1 3 334.479 3.573 20 0 EHADHO COc1ccc(C[C@@H](C)C[N@H+]2CCCC23CCN(C)CC3)cc1F ZINC000475116904 1026195062 /nfs/dbraw/zinc/19/50/62/1026195062.db2.gz GAKOOXHVDBTUKI-MRXNPFEDSA-N 1 3 334.479 3.573 20 0 EHADHO CCOCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000582449547 1026289675 /nfs/dbraw/zinc/28/96/75/1026289675.db2.gz HDZPOOVHSJQKMA-HSALFYBXSA-N 1 3 330.516 3.549 20 0 EHADHO C[C@@H](c1cccnc1)N1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301257302 1026741290 /nfs/dbraw/zinc/74/12/90/1026741290.db2.gz DPEKQJVNRRNFAX-HNNXBMFYSA-N 1 3 336.414 3.652 20 0 EHADHO CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)N1CCN(CC)CC1 ZINC000302051375 1027036499 /nfs/dbraw/zinc/03/64/99/1027036499.db2.gz OTSUJSNIROGMQU-INIZCTEOSA-N 1 3 340.515 3.544 20 0 EHADHO [NH3+]CCCN(CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000305890568 1027045049 /nfs/dbraw/zinc/04/50/49/1027045049.db2.gz VHPMDVJYDXFZLQ-UHFFFAOYSA-N 1 3 345.874 3.520 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700560 1027221956 /nfs/dbraw/zinc/22/19/56/1027221956.db2.gz NLWQQJOLAHPCNJ-IEBWSBKVSA-N 1 3 340.467 3.586 20 0 EHADHO Cc1ccccc1C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613290 1027632050 /nfs/dbraw/zinc/63/20/50/1027632050.db2.gz KOJSYAZYKRBRFJ-LJQANCHMSA-N 1 3 337.511 3.823 20 0 EHADHO C[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000657612635 1027648756 /nfs/dbraw/zinc/64/87/56/1027648756.db2.gz BXYRFPNWEXNDMV-KRWDZBQOSA-N 1 3 341.474 3.826 20 0 EHADHO CCCn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000130906211 1027714904 /nfs/dbraw/zinc/71/49/04/1027714904.db2.gz UKRUFRRTWHZDKJ-UHFFFAOYSA-N 1 3 340.515 3.637 20 0 EHADHO CCCn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000130906211 1027714920 /nfs/dbraw/zinc/71/49/20/1027714920.db2.gz UKRUFRRTWHZDKJ-UHFFFAOYSA-N 1 3 340.515 3.637 20 0 EHADHO Cc1nc(C)c(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000119832345 1027818017 /nfs/dbraw/zinc/81/80/17/1027818017.db2.gz WZWUWNLGSMDKKT-CYBMUJFWSA-N 1 3 333.501 3.551 20 0 EHADHO Brc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422731291 1027875759 /nfs/dbraw/zinc/87/57/59/1027875759.db2.gz GUNWNIAJVDVEBO-SJPCQFCGSA-N 1 3 349.316 3.743 20 0 EHADHO CC(C)(C)c1csc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422737153 1027881662 /nfs/dbraw/zinc/88/16/62/1027881662.db2.gz HQKGBEUROVGAIY-ARFHVFGLSA-N 1 3 335.561 3.884 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422717941 1027887889 /nfs/dbraw/zinc/88/78/89/1027887889.db2.gz KXBWLOXXOMIXRM-GVDBMIGSSA-N 1 3 343.437 3.558 20 0 EHADHO c1csc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727927 1027897400 /nfs/dbraw/zinc/89/74/00/1027897400.db2.gz DUJGASHXUDCBLC-MANSERQUSA-N 1 3 347.572 3.785 20 0 EHADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422758271 1027901565 /nfs/dbraw/zinc/90/15/65/1027901565.db2.gz JGGMWRLAOQCHBB-VNTMZGSJSA-N 1 3 345.506 3.613 20 0 EHADHO COc1ccc(C[C@H](N[C@H](C)C[C@@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000422772590 1027928934 /nfs/dbraw/zinc/92/89/34/1027928934.db2.gz SNVWUSFUTHCLOH-ZOCZFRKYSA-N 1 3 342.483 3.703 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000422773218 1027929226 /nfs/dbraw/zinc/92/92/26/1027929226.db2.gz ZMPYRDJKYSBPTL-CYBMUJFWSA-N 1 3 333.476 3.821 20 0 EHADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422802378 1027954560 /nfs/dbraw/zinc/95/45/60/1027954560.db2.gz BGRUUNZXLLAIMR-NDXORKPFSA-N 1 3 339.483 3.728 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000422807107 1027956063 /nfs/dbraw/zinc/95/60/63/1027956063.db2.gz OGOXPTWKWSJYEU-RYUDHWBXSA-N 1 3 335.398 3.862 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825131 1027969046 /nfs/dbraw/zinc/96/90/46/1027969046.db2.gz JAPNEPXHVLXADT-YSFYHYPLSA-N 1 3 341.543 3.642 20 0 EHADHO COc1ccc(-c2csc(CN[C@@H]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC000422826896 1027972030 /nfs/dbraw/zinc/97/20/30/1027972030.db2.gz RLFDNIKQQGBYIC-AUUYWEPGSA-N 1 3 330.497 3.901 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1OC ZINC000502241709 1027993009 /nfs/dbraw/zinc/99/30/09/1027993009.db2.gz NMWSVHBSJXNUHL-SJLPKXTDSA-N 1 3 348.531 3.655 20 0 EHADHO CCCCOc1ccc(CN[C@@H](C)c2cnccc2N)cc1OC ZINC000422861113 1027996430 /nfs/dbraw/zinc/99/64/30/1027996430.db2.gz MFLNUQAGHUSJAC-AWEZNQCLSA-N 1 3 329.444 3.532 20 0 EHADHO CCCCOc1ccc(CN[C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422861113 1027996444 /nfs/dbraw/zinc/99/64/44/1027996444.db2.gz MFLNUQAGHUSJAC-AWEZNQCLSA-N 1 3 329.444 3.532 20 0 EHADHO CCCCOc1ccc(CN[C@H](C)c2cnccc2N)cc1OC ZINC000422861114 1027997815 /nfs/dbraw/zinc/99/78/15/1027997815.db2.gz MFLNUQAGHUSJAC-CQSZACIVSA-N 1 3 329.444 3.532 20 0 EHADHO CCCCOc1ccc(CN[C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422861114 1027997821 /nfs/dbraw/zinc/99/78/21/1027997821.db2.gz MFLNUQAGHUSJAC-CQSZACIVSA-N 1 3 329.444 3.532 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000422878383 1028010412 /nfs/dbraw/zinc/01/04/12/1028010412.db2.gz JAYZMFYTCGPYDD-RYUDHWBXSA-N 1 3 335.398 3.862 20 0 EHADHO Cc1cc(C)n(-c2ccc(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)n1 ZINC000422869554 1028027722 /nfs/dbraw/zinc/02/77/22/1028027722.db2.gz XKGJJIDYHGXBIG-YADHBBJMSA-N 1 3 346.478 3.766 20 0 EHADHO Clc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423003325 1028115731 /nfs/dbraw/zinc/11/57/31/1028115731.db2.gz LSHAZPUMMDRWBN-CEXWTWQISA-N 1 3 336.907 3.757 20 0 EHADHO CCCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423070778 1028161815 /nfs/dbraw/zinc/16/18/15/1028161815.db2.gz NRCAZKNOBBKHCG-OAHLLOKOSA-N 1 3 327.472 3.797 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073902 1028163455 /nfs/dbraw/zinc/16/34/55/1028163455.db2.gz SOMURDBMSUYMGL-XPKDYRNWSA-N 1 3 342.314 3.550 20 0 EHADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141835 1028226509 /nfs/dbraw/zinc/22/65/09/1028226509.db2.gz RZECWDZNODMJPB-NXNVCVFFSA-N 1 3 337.305 3.802 20 0 EHADHO OC1(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000421378776 1028337041 /nfs/dbraw/zinc/33/70/41/1028337041.db2.gz TUHWQOQFYXAKPN-PWRODBHTSA-N 1 3 342.527 3.572 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423362056 1028388910 /nfs/dbraw/zinc/38/89/10/1028388910.db2.gz ASZNGOUXZGPEON-UOJCXKCYSA-N 1 3 326.406 3.929 20 0 EHADHO Cc1ccc2c(CN3CCC(CC[NH+](C)C)CC3)cc(=O)oc2c1C ZINC000121643914 1028420057 /nfs/dbraw/zinc/42/00/57/1028420057.db2.gz RODZISFQSWRIQX-UHFFFAOYSA-N 1 3 342.483 3.574 20 0 EHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000909613032 1028425952 /nfs/dbraw/zinc/42/59/52/1028425952.db2.gz FWUVHLYTYPPYJC-LJQANCHMSA-N 1 3 331.504 3.506 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@](C)(O)c1cccs1 ZINC000237131750 1028430244 /nfs/dbraw/zinc/43/02/44/1028430244.db2.gz BXZUREXIFPIPGF-HXUWFJFHSA-N 1 3 346.540 3.703 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@](C)(O)c1cccs1 ZINC000237131750 1028430255 /nfs/dbraw/zinc/43/02/55/1028430255.db2.gz BXZUREXIFPIPGF-HXUWFJFHSA-N 1 3 346.540 3.703 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCSCC1 ZINC000423479325 1028462709 /nfs/dbraw/zinc/46/27/09/1028462709.db2.gz VCMSQCRUQICMGG-DKSSEZFCSA-N 1 3 336.520 3.640 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C)cc1 ZINC000246458429 1028557415 /nfs/dbraw/zinc/55/74/15/1028557415.db2.gz PRYLYEYBOLQWRK-PCCBWWKXSA-N 1 3 330.516 3.804 20 0 EHADHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000195136092 1028584307 /nfs/dbraw/zinc/58/43/07/1028584307.db2.gz MKRAVDUAGXPTEF-XLIONFOSSA-N 1 3 340.515 3.945 20 0 EHADHO CC(C)N1CCC([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000349818211 1028639174 /nfs/dbraw/zinc/63/91/74/1028639174.db2.gz HWBCSLFKDRXBRI-UHFFFAOYSA-N 1 3 326.431 3.635 20 0 EHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000349818211 1028639179 /nfs/dbraw/zinc/63/91/79/1028639179.db2.gz HWBCSLFKDRXBRI-UHFFFAOYSA-N 1 3 326.431 3.635 20 0 EHADHO CCc1csc([C@@H]2CCCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275982 1028946611 /nfs/dbraw/zinc/94/66/11/1028946611.db2.gz BKGFOQUGHRPXDQ-HZPDHXFCSA-N 1 3 347.503 3.767 20 0 EHADHO Cc1csc([C@H]2CCCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277304 1028950620 /nfs/dbraw/zinc/95/06/20/1028950620.db2.gz BYNPEIAFUIXEQW-HOTGVXAUSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@H]2CCC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277304 1028950632 /nfs/dbraw/zinc/95/06/32/1028950632.db2.gz BYNPEIAFUIXEQW-HOTGVXAUSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@H]2CCC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277304 1028950646 /nfs/dbraw/zinc/95/06/46/1028950646.db2.gz BYNPEIAFUIXEQW-HOTGVXAUSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1nc(COc2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)cs1 ZINC000414790463 1029086137 /nfs/dbraw/zinc/08/61/37/1029086137.db2.gz AFDDGUDTSAUSRO-LPHOPBHVSA-N 1 3 345.512 3.638 20 0 EHADHO Cc1ccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C2CC2)cc1 ZINC000271743619 1029149492 /nfs/dbraw/zinc/14/94/92/1029149492.db2.gz QPIVTJCCCQYQPN-BDTNDASRSA-N 1 3 342.527 3.804 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000245949501 1029507168 /nfs/dbraw/zinc/50/71/68/1029507168.db2.gz WFZXLBNFSPIJPK-QLFBSQMISA-N 1 3 326.431 3.505 20 0 EHADHO Cc1ccc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)o1 ZINC000237721600 1029764986 /nfs/dbraw/zinc/76/49/86/1029764986.db2.gz XCTIVSZTGPYWAR-UHFFFAOYSA-N 1 3 341.499 3.588 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C)cc1 ZINC000090525104 1030137346 /nfs/dbraw/zinc/13/73/46/1030137346.db2.gz PRYLYEYBOLQWRK-ACRUOGEOSA-N 1 3 330.516 3.804 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000453378129 1030200299 /nfs/dbraw/zinc/20/02/99/1030200299.db2.gz VMLPREFIRFEEDN-SJORKVTESA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453378129 1030200313 /nfs/dbraw/zinc/20/03/13/1030200313.db2.gz VMLPREFIRFEEDN-SJORKVTESA-N 1 3 334.454 3.846 20 0 EHADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ncc(Br)cc1F ZINC000453404761 1030212558 /nfs/dbraw/zinc/21/25/58/1030212558.db2.gz PTDSGRWJSIIAAX-NSHDSACASA-N 1 3 344.272 3.508 20 0 EHADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ncc(Br)cc1F ZINC000453404761 1030212573 /nfs/dbraw/zinc/21/25/73/1030212573.db2.gz PTDSGRWJSIIAAX-NSHDSACASA-N 1 3 344.272 3.508 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000531992079 1030243286 /nfs/dbraw/zinc/24/32/86/1030243286.db2.gz QPXMGBGQUSGGFZ-SQGPQFPESA-N 1 3 340.515 3.814 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC001168091867 1030421945 /nfs/dbraw/zinc/42/19/45/1030421945.db2.gz BZFTTWPAOOYEQN-YJBOKZPZSA-N 1 3 336.907 3.709 20 0 EHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C)cc2)CC1 ZINC000532295989 1030528299 /nfs/dbraw/zinc/52/82/99/1030528299.db2.gz OIKYLZBRPFEQQD-UHFFFAOYSA-N 1 3 337.511 3.817 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000093644818 1030650110 /nfs/dbraw/zinc/65/01/10/1030650110.db2.gz IJPBUYPVZVHLFC-KUHUBIRLSA-N 1 3 344.478 3.543 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000093644818 1030650120 /nfs/dbraw/zinc/65/01/20/1030650120.db2.gz IJPBUYPVZVHLFC-KUHUBIRLSA-N 1 3 344.478 3.543 20 0 EHADHO c1cc(OCC2CC2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000483169094 1031019970 /nfs/dbraw/zinc/01/99/70/1031019970.db2.gz ANOGTSCJWLJKCW-UHFFFAOYSA-N 1 3 328.500 3.783 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762615 1031185357 /nfs/dbraw/zinc/18/53/57/1031185357.db2.gz KUNRVOQYYCAAIK-UWJYYQICSA-N 1 3 348.494 3.716 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762615 1031185366 /nfs/dbraw/zinc/18/53/66/1031185366.db2.gz KUNRVOQYYCAAIK-UWJYYQICSA-N 1 3 348.494 3.716 20 0 EHADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732397 1031305782 /nfs/dbraw/zinc/30/57/82/1031305782.db2.gz QQVGYQXMHSGJFW-KFNAQCHYSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+]1C ZINC000483732397 1031305789 /nfs/dbraw/zinc/30/57/89/1031305789.db2.gz QQVGYQXMHSGJFW-KFNAQCHYSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898085 1031398781 /nfs/dbraw/zinc/39/87/81/1031398781.db2.gz RJIXFZHBXGORSS-MRXNPFEDSA-N 1 3 338.499 3.612 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666995431 1031445025 /nfs/dbraw/zinc/44/50/25/1031445025.db2.gz NTUZJLRATBZUTJ-GOEBONIOSA-N 1 3 349.906 3.630 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccncc1 ZINC000527990932 1031548197 /nfs/dbraw/zinc/54/81/97/1031548197.db2.gz SKLCPHUJSXPHRI-HLRQEUIKSA-N 1 3 335.495 3.685 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000178067277 1031617156 /nfs/dbraw/zinc/61/71/56/1031617156.db2.gz ZCCLQAPLSFEVLR-IRXDYDNUSA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000178067277 1031617169 /nfs/dbraw/zinc/61/71/69/1031617169.db2.gz ZCCLQAPLSFEVLR-IRXDYDNUSA-N 1 3 326.488 3.563 20 0 EHADHO CC1(C)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1Oc1ccccc1 ZINC000551781047 1031652118 /nfs/dbraw/zinc/65/21/18/1031652118.db2.gz ODLWRESJUVSUQJ-OTGCGEFBSA-N 1 3 328.500 3.839 20 0 EHADHO CC(C)(C)[C@H](COc1ccccc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166586278 1032034959 /nfs/dbraw/zinc/03/49/59/1032034959.db2.gz RRMZJXDDBJWKCJ-MDZRGWNJSA-N 1 3 334.479 3.836 20 0 EHADHO CC(C)(C)[C@H](COc1ccccc1F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166586278 1032034973 /nfs/dbraw/zinc/03/49/73/1032034973.db2.gz RRMZJXDDBJWKCJ-MDZRGWNJSA-N 1 3 334.479 3.836 20 0 EHADHO c1cc2cc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2s1 ZINC000655767747 1033727308 /nfs/dbraw/zinc/72/73/08/1033727308.db2.gz JIXICVGHSRVBJN-GOSISDBHSA-N 1 3 330.497 3.634 20 0 EHADHO CC(C)(C)OC(=O)CCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595508090 1033834626 /nfs/dbraw/zinc/83/46/26/1033834626.db2.gz HFTWBWUXPKAUCO-UHFFFAOYSA-N 1 3 346.515 3.753 20 0 EHADHO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164166 1034027059 /nfs/dbraw/zinc/02/70/59/1034027059.db2.gz CBCVDJZXRWHPDX-VQTJNVASSA-N 1 3 333.495 3.802 20 0 EHADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658165437 1034028878 /nfs/dbraw/zinc/02/88/78/1034028878.db2.gz JPHPPCIPLFIDMY-QFIPXVFZSA-N 1 3 335.495 3.879 20 0 EHADHO CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)C1CCC1 ZINC000596118344 1034081071 /nfs/dbraw/zinc/08/10/71/1034081071.db2.gz WOLWLSCUGYEEFM-KRWDZBQOSA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)(C)OC(=O)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CCC1 ZINC000596118344 1034081085 /nfs/dbraw/zinc/08/10/85/1034081085.db2.gz WOLWLSCUGYEEFM-KRWDZBQOSA-N 1 3 338.536 3.597 20 0 EHADHO COCc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119315574 1034133877 /nfs/dbraw/zinc/13/38/77/1034133877.db2.gz AGRHFNXAJGECAC-UHFFFAOYSA-N 1 3 338.495 3.929 20 0 EHADHO C[NH+](C)C1CCC(N2CCc3c(Br)cccc3C2)CC1 ZINC001168327951 1034180691 /nfs/dbraw/zinc/18/06/91/1034180691.db2.gz VAFVJDVGLUKPOK-UHFFFAOYSA-N 1 3 337.305 3.680 20 0 EHADHO CCc1ccc2nccc(N3CCC(OCCC[NH+](C)C)CC3)c2c1 ZINC000450369297 1034219331 /nfs/dbraw/zinc/21/93/31/1034219331.db2.gz NZZQDOLRUZBWLM-UHFFFAOYSA-N 1 3 341.499 3.734 20 0 EHADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2ccccc2o1 ZINC000540653899 1035528533 /nfs/dbraw/zinc/52/85/33/1035528533.db2.gz QRSXRSXOMZVELY-OAQYLSRUSA-N 1 3 343.515 3.747 20 0 EHADHO OCC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305171163 1035708700 /nfs/dbraw/zinc/70/87/00/1035708700.db2.gz ZUJMTDYOOCVAPP-IBGZPJMESA-N 1 3 330.516 3.539 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174808 1035892546 /nfs/dbraw/zinc/89/25/46/1035892546.db2.gz GWSRWSNDQZGEIX-JXFKEZNVSA-N 1 3 327.447 3.632 20 0 EHADHO C[N@H+]1CCC[C@@H](CCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174808 1035892570 /nfs/dbraw/zinc/89/25/70/1035892570.db2.gz GWSRWSNDQZGEIX-JXFKEZNVSA-N 1 3 327.447 3.632 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415635 1036082995 /nfs/dbraw/zinc/08/29/95/1036082995.db2.gz AEXXWTULAQJHFG-XLIONFOSSA-N 1 3 343.902 3.950 20 0 EHADHO FC(F)(F)c1ccccc1OCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462391224 1036912639 /nfs/dbraw/zinc/91/26/39/1036912639.db2.gz DCSSFCMYZXOTOJ-QGZVFWFLSA-N 1 3 342.405 3.550 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4COc5ccccc54)[C@H]3C2)cc1 ZINC000311835392 1037044854 /nfs/dbraw/zinc/04/48/54/1037044854.db2.gz PTGNTMFWURDLBQ-MXNKGDRCSA-N 1 3 348.490 3.663 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000057847200 1037226358 /nfs/dbraw/zinc/22/63/58/1037226358.db2.gz JHUNOSSJSWNLNS-UHFFFAOYSA-N 1 3 342.483 3.655 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280018 1037237950 /nfs/dbraw/zinc/23/79/50/1037237950.db2.gz GKFVSBAWHCLKHA-HKUYNNGSSA-N 1 3 336.907 3.760 20 0 EHADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000311118935 1037409714 /nfs/dbraw/zinc/40/97/14/1037409714.db2.gz GQRZDMQGWVFREB-RBBKRZOGSA-N 1 3 338.495 3.612 20 0 EHADHO Cc1cccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000532521095 1037558772 /nfs/dbraw/zinc/55/87/72/1037558772.db2.gz ZZBAOOWGVOBQKH-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000532521095 1037558783 /nfs/dbraw/zinc/55/87/83/1037558783.db2.gz ZZBAOOWGVOBQKH-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN(C)C ZINC000491594724 1037576212 /nfs/dbraw/zinc/57/62/12/1037576212.db2.gz STIFCWCXGGDRTN-GOSISDBHSA-N 1 3 348.494 3.827 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C[C@H](C)O1 ZINC000540168591 1037636575 /nfs/dbraw/zinc/63/65/75/1037636575.db2.gz COSDIYXIGVFYAS-NPDDRXJXSA-N 1 3 344.543 3.877 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000540170737 1037638359 /nfs/dbraw/zinc/63/83/59/1037638359.db2.gz VJCAUEPLLOTPGQ-GUDVDZBRSA-N 1 3 332.532 3.832 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000493917580 1037710777 /nfs/dbraw/zinc/71/07/77/1037710777.db2.gz SGQGFGASVMHZAK-UHOFOFEASA-N 1 3 337.305 3.817 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000493917580 1037710798 /nfs/dbraw/zinc/71/07/98/1037710798.db2.gz SGQGFGASVMHZAK-UHOFOFEASA-N 1 3 337.305 3.817 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463148774 1037817585 /nfs/dbraw/zinc/81/75/85/1037817585.db2.gz HKGZUWUYHASVHF-SESVDKBCSA-N 1 3 329.532 3.504 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397171 1037910454 /nfs/dbraw/zinc/91/04/54/1037910454.db2.gz IZJDYMBNHSJCSI-IHPCNDPISA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397171 1037910464 /nfs/dbraw/zinc/91/04/64/1037910464.db2.gz IZJDYMBNHSJCSI-IHPCNDPISA-N 1 3 340.515 3.762 20 0 EHADHO CCOCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183130342 1037932292 /nfs/dbraw/zinc/93/22/92/1037932292.db2.gz CQDHYSPZQYOSQZ-QHAWAJNXSA-N 1 3 330.516 3.693 20 0 EHADHO CCc1onc(C)c1CNCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000893226457 1038587122 /nfs/dbraw/zinc/58/71/22/1038587122.db2.gz RJZQZJLRGJYYCR-LPHOPBHVSA-N 1 3 341.499 3.936 20 0 EHADHO CCc1onc(C)c1CNCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226457 1038587131 /nfs/dbraw/zinc/58/71/31/1038587131.db2.gz RJZQZJLRGJYYCR-LPHOPBHVSA-N 1 3 341.499 3.936 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000479851487 1038784747 /nfs/dbraw/zinc/78/47/47/1038784747.db2.gz LECDYPRPCJDALJ-TZIWHRDSSA-N 1 3 343.559 3.751 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552251251 1039098739 /nfs/dbraw/zinc/09/87/39/1039098739.db2.gz PPGLUIFDTODVTM-BHDDXSALSA-N 1 3 337.511 3.806 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552251251 1039098761 /nfs/dbraw/zinc/09/87/61/1039098761.db2.gz PPGLUIFDTODVTM-BHDDXSALSA-N 1 3 337.511 3.806 20 0 EHADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@H]2CCC[C@H]21 ZINC000552289908 1039141225 /nfs/dbraw/zinc/14/12/25/1039141225.db2.gz PNPQGVMWTFDFDT-HSALFYBXSA-N 1 3 345.556 3.520 20 0 EHADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@H]2CCC[C@H]21 ZINC000552289908 1039141230 /nfs/dbraw/zinc/14/12/30/1039141230.db2.gz PNPQGVMWTFDFDT-HSALFYBXSA-N 1 3 345.556 3.520 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c(C)c1OC ZINC000552281799 1039156580 /nfs/dbraw/zinc/15/65/80/1039156580.db2.gz KFEXCNLBDKVGMY-DLBZAZTESA-N 1 3 348.531 3.797 20 0 EHADHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000552321166 1039175912 /nfs/dbraw/zinc/17/59/12/1039175912.db2.gz LCKUJBHGKNLHIU-RBUKOAKNSA-N 1 3 338.442 3.727 20 0 EHADHO C[N@@H+]1CCC[C@@]2(CCN(CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295782 1039323136 /nfs/dbraw/zinc/32/31/36/1039323136.db2.gz KOFMXBWSRBZATP-QGZVFWFLSA-N 1 3 326.406 3.666 20 0 EHADHO C[N@H+]1CCC[C@@]2(CCN(CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295782 1039323149 /nfs/dbraw/zinc/32/31/49/1039323149.db2.gz KOFMXBWSRBZATP-QGZVFWFLSA-N 1 3 326.406 3.666 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000245600444 1040150017 /nfs/dbraw/zinc/15/00/17/1040150017.db2.gz FLBYQEHFBKDVBN-WCIQWLHISA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000245600444 1040150030 /nfs/dbraw/zinc/15/00/30/1040150030.db2.gz FLBYQEHFBKDVBN-WCIQWLHISA-N 1 3 328.500 3.587 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCCC4)[C@@H]3C2)cc1 ZINC000512624153 1040330540 /nfs/dbraw/zinc/33/05/40/1040330540.db2.gz HXKRBRMLVGVBPK-NNWRFLSQSA-N 1 3 342.527 3.836 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCCC4)[C@H]3C2)cc1 ZINC000512624149 1040330578 /nfs/dbraw/zinc/33/05/78/1040330578.db2.gz HXKRBRMLVGVBPK-ILWGZMRPSA-N 1 3 342.527 3.836 20 0 EHADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512655797 1040404783 /nfs/dbraw/zinc/40/47/83/1040404783.db2.gz WNARCMMMXIIECV-PWRODBHTSA-N 1 3 344.543 3.675 20 0 EHADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512661734 1040447977 /nfs/dbraw/zinc/44/79/77/1040447977.db2.gz TYCYPLALVGYTEI-DNVJHFABSA-N 1 3 349.522 3.823 20 0 EHADHO C[N@H+](Cc1cccc(Br)c1)C1CCN(CC2CC2)CC1 ZINC001168371851 1040509751 /nfs/dbraw/zinc/50/97/51/1040509751.db2.gz JOOAKRLTNLQHBM-UHFFFAOYSA-N 1 3 337.305 3.755 20 0 EHADHO C[N@@H+](Cc1cccc(Br)c1)C1CCN(CC2CC2)CC1 ZINC001168371851 1040509771 /nfs/dbraw/zinc/50/97/71/1040509771.db2.gz JOOAKRLTNLQHBM-UHFFFAOYSA-N 1 3 337.305 3.755 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000481309011 1040656761 /nfs/dbraw/zinc/65/67/61/1040656761.db2.gz RAANLKOENWHDJA-ZBEGNZNMSA-N 1 3 341.268 3.507 20 0 EHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000481309810 1040658181 /nfs/dbraw/zinc/65/81/81/1040658181.db2.gz DFRVKGRODZLDNH-LJQANCHMSA-N 1 3 331.548 3.609 20 0 EHADHO CC[NH+](CC)CCOC1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411306432 1040710767 /nfs/dbraw/zinc/71/07/67/1040710767.db2.gz WDOHUWJAEOLQJL-PMACEKPBSA-N 1 3 334.479 3.504 20 0 EHADHO CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000600165153 1040773491 /nfs/dbraw/zinc/77/34/91/1040773491.db2.gz FZUXHLZKSNKJDS-MSOLQXFVSA-N 1 3 332.488 3.532 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433330367 1041293528 /nfs/dbraw/zinc/29/35/28/1041293528.db2.gz BQESNAJCLBUEHO-IYBDPMFKSA-N 1 3 330.476 3.517 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433330367 1041293544 /nfs/dbraw/zinc/29/35/44/1041293544.db2.gz BQESNAJCLBUEHO-IYBDPMFKSA-N 1 3 330.476 3.517 20 0 EHADHO Cc1ccc(CN2CCC3(CCC[NH2+]C3)CC2)cc1Br ZINC001222453345 1041310212 /nfs/dbraw/zinc/31/02/12/1041310212.db2.gz XWPDZRXKWOIZHJ-UHFFFAOYSA-N 1 3 337.305 3.723 20 0 EHADHO COCc1ccccc1/C=C(/C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000512972568 1041320806 /nfs/dbraw/zinc/32/08/06/1041320806.db2.gz UOLVMGHEUBQKTG-SDXDJHTJSA-N 1 3 328.500 3.797 20 0 EHADHO COCc1ccccc1/C=C(/C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000512972568 1041320812 /nfs/dbraw/zinc/32/08/12/1041320812.db2.gz UOLVMGHEUBQKTG-SDXDJHTJSA-N 1 3 328.500 3.797 20 0 EHADHO COc1ccccc1CCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660675447 1041768021 /nfs/dbraw/zinc/76/80/21/1041768021.db2.gz JXDRVCWQNKVIQS-UHFFFAOYSA-N 1 3 338.495 3.882 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652148239 1042237079 /nfs/dbraw/zinc/23/70/79/1042237079.db2.gz RTWRUFNJACSOOG-OAQYLSRUSA-N 1 3 345.531 3.794 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cn(C)nc2C2CC2)CC1 ZINC000893500310 1042289553 /nfs/dbraw/zinc/28/95/53/1042289553.db2.gz YWQDEMPPDNBLHB-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348068 1042406536 /nfs/dbraw/zinc/40/65/36/1042406536.db2.gz TVLAVTZWLLKQQQ-MJXUCMMTSA-N 1 3 340.870 3.758 20 0 EHADHO Fc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662295585 1042664498 /nfs/dbraw/zinc/66/44/98/1042664498.db2.gz HCAVHUVPJJKJON-QGZVFWFLSA-N 1 3 343.446 3.692 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc3c2CNC3)cc1 ZINC000662388418 1042699363 /nfs/dbraw/zinc/69/93/63/1042699363.db2.gz OHCZAHLTYRSLRO-MRXNPFEDSA-N 1 3 349.478 3.917 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2CNC3)cc1 ZINC000662388418 1042699369 /nfs/dbraw/zinc/69/93/69/1042699369.db2.gz OHCZAHLTYRSLRO-MRXNPFEDSA-N 1 3 349.478 3.917 20 0 EHADHO Fc1ccccc1COC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000162203903 1042715268 /nfs/dbraw/zinc/71/52/68/1042715268.db2.gz ROLGRHRMZGTNSB-UHFFFAOYSA-N 1 3 334.479 3.683 20 0 EHADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925778595 1042910284 /nfs/dbraw/zinc/91/02/84/1042910284.db2.gz JVVSIKASLUFBMQ-HOCLYGCPSA-N 1 3 326.431 3.617 20 0 EHADHO CO[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000643467519 1042941603 /nfs/dbraw/zinc/94/16/03/1042941603.db2.gz PEQAQACQNBECSY-KPZWWZAWSA-N 1 3 333.863 3.540 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000643467729 1042942933 /nfs/dbraw/zinc/94/29/33/1042942933.db2.gz XJDNHAVKGHNORG-UXHICEINSA-N 1 3 348.494 3.834 20 0 EHADHO C[NH+](C)CCOc1cnccc1CN[C@H]1CCCCc2ccccc21 ZINC000343992034 1043070272 /nfs/dbraw/zinc/07/02/72/1043070272.db2.gz QYLLGNDNTQPFFU-FQEVSTJZSA-N 1 3 339.483 3.579 20 0 EHADHO CC(C)COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408890 1043107343 /nfs/dbraw/zinc/10/73/43/1043107343.db2.gz WIUODYYPZYWZIM-RTBURBONSA-N 1 3 348.531 3.873 20 0 EHADHO CC(C)COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408890 1043107346 /nfs/dbraw/zinc/10/73/46/1043107346.db2.gz WIUODYYPZYWZIM-RTBURBONSA-N 1 3 348.531 3.873 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418093 1043151528 /nfs/dbraw/zinc/15/15/28/1043151528.db2.gz PWTYTKXMPHOGMQ-OXQOHEQNSA-N 1 3 346.515 3.508 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418093 1043151534 /nfs/dbraw/zinc/15/15/34/1043151534.db2.gz PWTYTKXMPHOGMQ-OXQOHEQNSA-N 1 3 346.515 3.508 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419328 1043152961 /nfs/dbraw/zinc/15/29/61/1043152961.db2.gz BCWKHILCWCIHAV-HUUCEWRRSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419328 1043152967 /nfs/dbraw/zinc/15/29/67/1043152967.db2.gz BCWKHILCWCIHAV-HUUCEWRRSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344066684 1043193378 /nfs/dbraw/zinc/19/33/78/1043193378.db2.gz QQBKNAUSIOSHDM-YRNRMSPPSA-N 1 3 334.479 3.682 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446627 1043274490 /nfs/dbraw/zinc/27/44/90/1043274490.db2.gz NBBPIGWCUOTJLD-MSOLQXFVSA-N 1 3 326.484 3.991 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446627 1043274502 /nfs/dbraw/zinc/27/45/02/1043274502.db2.gz NBBPIGWCUOTJLD-MSOLQXFVSA-N 1 3 326.484 3.991 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236735 1125760500 /nfs/dbraw/zinc/76/05/00/1125760500.db2.gz YHXYRKQSCFMXMG-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236735 1125760505 /nfs/dbraw/zinc/76/05/05/1125760505.db2.gz YHXYRKQSCFMXMG-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236735 1125760510 /nfs/dbraw/zinc/76/05/10/1125760510.db2.gz YHXYRKQSCFMXMG-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1(C)C ZINC000623352127 1126928500 /nfs/dbraw/zinc/92/85/00/1126928500.db2.gz PSKSMZDNEKUXMW-MRXNPFEDSA-N 1 3 344.421 3.728 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000623357867 1126928887 /nfs/dbraw/zinc/92/88/87/1126928887.db2.gz DEJIPWVRTHNHGN-GOSISDBHSA-N 1 3 339.483 3.623 20 0 EHADHO CN1CC[C@@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497114 1126970932 /nfs/dbraw/zinc/97/09/32/1126970932.db2.gz XYNKHALDDYILOE-CTNGQTDRSA-N 1 3 329.532 3.504 20 0 EHADHO CN1CC[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537878 1126979529 /nfs/dbraw/zinc/97/95/29/1126979529.db2.gz MBIZJVBFCCKMHE-HZPDHXFCSA-N 1 3 344.421 3.591 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000177902304 1127002355 /nfs/dbraw/zinc/00/23/55/1127002355.db2.gz CWXWTIBZTFJKHF-UHFFFAOYSA-N 1 3 344.421 3.937 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623986858 1127224938 /nfs/dbraw/zinc/22/49/38/1127224938.db2.gz IZQOHJZIFWDUCA-SESVDKBCSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000624119901 1127255943 /nfs/dbraw/zinc/25/59/43/1127255943.db2.gz MANRNNJVCBLDSS-UONOGXRCSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123536 1127256505 /nfs/dbraw/zinc/25/65/05/1127256505.db2.gz NTPZFLAYBCJYQJ-CABCVRRESA-N 1 3 328.422 3.958 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Br)cs1 ZINC000624123163 1127256913 /nfs/dbraw/zinc/25/69/13/1127256913.db2.gz GZTIEKPIRNDGES-NEPJUHHUSA-N 1 3 331.323 3.893 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119885 1127255584 /nfs/dbraw/zinc/25/55/84/1127255584.db2.gz LSVWHKVYSLEZBX-QZTJIDSGSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119885 1127255586 /nfs/dbraw/zinc/25/55/86/1127255586.db2.gz LSVWHKVYSLEZBX-QZTJIDSGSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119885 1127255588 /nfs/dbraw/zinc/25/55/88/1127255588.db2.gz LSVWHKVYSLEZBX-QZTJIDSGSA-N 1 3 345.531 3.849 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OCC ZINC000624119522 1127255827 /nfs/dbraw/zinc/25/58/27/1127255827.db2.gz DLRGODDVIUVZCN-IRXDYDNUSA-N 1 3 334.504 3.867 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2ccccc2OC(F)(F)F)CC1 ZINC000181281079 1127272505 /nfs/dbraw/zinc/27/25/05/1127272505.db2.gz UEPKSMHSGYVKKN-UHFFFAOYSA-N 1 3 344.421 3.980 20 0 EHADHO CC(C)(C)[NH+]1CCC(NCCc2ccccc2OC(F)(F)F)CC1 ZINC000181281079 1127272506 /nfs/dbraw/zinc/27/25/06/1127272506.db2.gz UEPKSMHSGYVKKN-UHFFFAOYSA-N 1 3 344.421 3.980 20 0 EHADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254488 1127423018 /nfs/dbraw/zinc/42/30/18/1127423018.db2.gz VMZSYCHCSHEMAI-WMZOPIPTSA-N 1 3 336.495 3.677 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000765507632 1127630431 /nfs/dbraw/zinc/63/04/31/1127630431.db2.gz RUUDARDDMSONTB-INIZCTEOSA-N 1 3 325.456 3.698 20 0 EHADHO CN1CCCC[C@H]1c1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545655 1127682574 /nfs/dbraw/zinc/68/25/74/1127682574.db2.gz YOJCIWFECLAEDT-MJGOQNOKSA-N 1 3 336.483 3.823 20 0 EHADHO COc1ccc([C@H]2C[C@H]([NH2+]CCCN3CCC(C)CC3)CCO2)cc1 ZINC001168584859 1128104352 /nfs/dbraw/zinc/10/43/52/1128104352.db2.gz OCTUDOKVDOSIHL-TZIWHRDSSA-N 1 3 346.515 3.627 20 0 EHADHO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282235382 1128121629 /nfs/dbraw/zinc/12/16/29/1128121629.db2.gz ZRLIEPQRKTXECI-IFMALSPDSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282235382 1128121633 /nfs/dbraw/zinc/12/16/33/1128121633.db2.gz ZRLIEPQRKTXECI-IFMALSPDSA-N 1 3 343.559 3.589 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(CO)CCCC2)ccc1OC ZINC000186485097 1128763653 /nfs/dbraw/zinc/76/36/53/1128763653.db2.gz AYAXWGKFWLGCGR-KRWDZBQOSA-N 1 3 348.531 3.740 20 0 EHADHO CC[C@H](CN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000494879904 1120890837 /nfs/dbraw/zinc/89/08/37/1120890837.db2.gz BSOHSIJHUYCCTA-NSISKUIASA-N 1 3 334.479 3.757 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227914907 1120923814 /nfs/dbraw/zinc/92/38/14/1120923814.db2.gz CJUVVYKFLHZPOM-COXVUDFISA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227914907 1120923816 /nfs/dbraw/zinc/92/38/16/1120923816.db2.gz CJUVVYKFLHZPOM-COXVUDFISA-N 1 3 337.305 3.597 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000232616752 1121132941 /nfs/dbraw/zinc/13/29/41/1121132941.db2.gz XGJTUOPPQMFLMU-CQSZACIVSA-N 1 3 327.310 3.700 20 0 EHADHO C[C@H](O)C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305129150 1121258148 /nfs/dbraw/zinc/25/81/48/1121258148.db2.gz JHHBLVFHHVICQP-AZUAARDMSA-N 1 3 344.543 3.928 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)ccc1OC ZINC000762647903 1121397639 /nfs/dbraw/zinc/39/76/39/1121397639.db2.gz GRGAVZWJMURPRQ-BXWFABGCSA-N 1 3 334.504 3.613 20 0 EHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650368 1121397722 /nfs/dbraw/zinc/39/77/22/1121397722.db2.gz QJOIKKCCQFPCHR-FXAWDEMLSA-N 1 3 346.515 3.553 20 0 EHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650368 1121397728 /nfs/dbraw/zinc/39/77/28/1121397728.db2.gz QJOIKKCCQFPCHR-FXAWDEMLSA-N 1 3 346.515 3.553 20 0 EHADHO CCN(CC)CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000131438163 1123106327 /nfs/dbraw/zinc/10/63/27/1123106327.db2.gz KMYOXTAXOLPIBQ-UHFFFAOYSA-N 1 3 337.939 3.626 20 0 EHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(C)c2)CC1 ZINC000236803034 1123468556 /nfs/dbraw/zinc/46/85/56/1123468556.db2.gz GNNPWEGZSFMCOP-UHFFFAOYSA-N 1 3 337.511 3.817 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000134163923 1123497142 /nfs/dbraw/zinc/49/71/42/1123497142.db2.gz VYQYVURBAZTYOA-UHFFFAOYSA-N 1 3 328.504 3.587 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000134163923 1123497143 /nfs/dbraw/zinc/49/71/43/1123497143.db2.gz VYQYVURBAZTYOA-UHFFFAOYSA-N 1 3 328.504 3.587 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000237609985 1123528524 /nfs/dbraw/zinc/52/85/24/1123528524.db2.gz IRWCXVDSTCHLTP-HDICACEKSA-N 1 3 326.484 3.819 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000421845824 1129178943 /nfs/dbraw/zinc/17/89/43/1129178943.db2.gz YAUJMIROPINPQD-QXAKKESOSA-N 1 3 327.516 3.572 20 0 EHADHO Fc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246952450 1124572158 /nfs/dbraw/zinc/57/21/58/1124572158.db2.gz UQFZPNGRPPNFKR-OXJNMPFZSA-N 1 3 332.463 3.543 20 0 EHADHO Fc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246952450 1124572164 /nfs/dbraw/zinc/57/21/64/1124572164.db2.gz UQFZPNGRPPNFKR-OXJNMPFZSA-N 1 3 332.463 3.543 20 0 EHADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248405622 1124658148 /nfs/dbraw/zinc/65/81/48/1124658148.db2.gz RNJJQIUVUBLRAQ-FYZZASKESA-N 1 3 344.543 3.674 20 0 EHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccnc2)ccc1OC ZINC000182186155 1125195907 /nfs/dbraw/zinc/19/59/07/1125195907.db2.gz YUPTWBLLQUMHPH-INIZCTEOSA-N 1 3 327.472 3.783 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC000182277010 1125234476 /nfs/dbraw/zinc/23/44/76/1125234476.db2.gz ZMPJJRPLBGHXKZ-UHFFFAOYSA-N 1 3 346.515 3.753 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1CN1CCCCC1 ZINC000182512131 1125322869 /nfs/dbraw/zinc/32/28/69/1125322869.db2.gz CBDJSSVCKFAAFZ-MRXNPFEDSA-N 1 3 332.488 3.511 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCCOC2)ccc1OC ZINC000182527630 1125325748 /nfs/dbraw/zinc/32/57/48/1125325748.db2.gz MJLRSSVWHBBWCW-DLBZAZTESA-N 1 3 334.504 3.614 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182872860 1125386897 /nfs/dbraw/zinc/38/68/97/1125386897.db2.gz PNBGYLBXZUNMHH-VQIMIIECSA-N 1 3 332.488 3.511 20 0 EHADHO COc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)ccc1F ZINC000153005008 1125417266 /nfs/dbraw/zinc/41/72/66/1125417266.db2.gz XMAWVEKDWHPRTR-OAHLLOKOSA-N 1 3 346.446 3.626 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CCO)cc1CN1CCCCC1 ZINC000183054503 1125429315 /nfs/dbraw/zinc/42/93/15/1125429315.db2.gz NZENHRGSRNIZSD-QGZVFWFLSA-N 1 3 348.531 3.740 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2cscn2)ccc1OC ZINC000183141920 1125454671 /nfs/dbraw/zinc/45/46/71/1125454671.db2.gz OENVZDMUVAMWJP-HNNXBMFYSA-N 1 3 347.528 3.887 20 0 EHADHO COCCC1(CN[C@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000922627042 1129603547 /nfs/dbraw/zinc/60/35/47/1129603547.db2.gz GDAFUSJIFLGHQR-LJQANCHMSA-N 1 3 333.520 3.651 20 0 EHADHO CCCN1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000126218278 1129740774 /nfs/dbraw/zinc/74/07/74/1129740774.db2.gz OOJGWYJTDNYYRM-UHFFFAOYSA-N 1 3 332.488 3.606 20 0 EHADHO CC1CC[NH+](CCC[C@@H](NC/C=C\CO)c2ccc(F)cc2)CC1 ZINC000658138483 1130192027 /nfs/dbraw/zinc/19/20/27/1130192027.db2.gz MHZQFVAIOXKIJX-ZBADOCLRSA-N 1 3 334.479 3.517 20 0 EHADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166694214 1130595249 /nfs/dbraw/zinc/59/52/49/1130595249.db2.gz ZLXZYLQOTCCIOV-IXDOHACOSA-N 1 3 333.907 3.525 20 0 EHADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166694214 1130595254 /nfs/dbraw/zinc/59/52/54/1130595254.db2.gz ZLXZYLQOTCCIOV-IXDOHACOSA-N 1 3 333.907 3.525 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172749082 1131831301 /nfs/dbraw/zinc/83/13/01/1131831301.db2.gz IDEKXIOVMGQCBA-ROUUACIJSA-N 1 3 336.520 3.517 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172749082 1131831307 /nfs/dbraw/zinc/83/13/07/1131831307.db2.gz IDEKXIOVMGQCBA-ROUUACIJSA-N 1 3 336.520 3.517 20 0 EHADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173073781 1131955777 /nfs/dbraw/zinc/95/57/77/1131955777.db2.gz QPAJSXDBJPGZBO-AWEZNQCLSA-N 1 3 332.410 3.838 20 0 EHADHO CC[NH+](CC)C1CCC(N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC001173109879 1131970346 /nfs/dbraw/zinc/97/03/46/1131970346.db2.gz JPIBNMQNBGRRDS-MQBCKMQZSA-N 1 3 342.886 3.755 20 0 EHADHO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)cn2)c1C ZINC001206196348 1132013272 /nfs/dbraw/zinc/01/32/72/1132013272.db2.gz BMMRJDBXNQWSDI-OALUTQOASA-N 1 3 327.447 3.627 20 0 EHADHO Cc1cccc(-c2ccc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)cn2)c1C ZINC001206196348 1132013278 /nfs/dbraw/zinc/01/32/78/1132013278.db2.gz BMMRJDBXNQWSDI-OALUTQOASA-N 1 3 327.447 3.627 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141398 1132673920 /nfs/dbraw/zinc/67/39/20/1132673920.db2.gz QHPHUKNPZPXMNB-YRPNKDGESA-N 1 3 348.918 3.946 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141398 1132673922 /nfs/dbraw/zinc/67/39/22/1132673922.db2.gz QHPHUKNPZPXMNB-YRPNKDGESA-N 1 3 348.918 3.946 20 0 EHADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc2c(N)ccnc2c1 ZINC001169179834 1132694232 /nfs/dbraw/zinc/69/42/32/1132694232.db2.gz QCSVFSRPSZLLPK-UHFFFAOYSA-N 1 3 346.434 3.579 20 0 EHADHO Cc1c(C[N@@H+](C)CC[C@H]2CCCCN2C)sc2nc(C)nc(C)c12 ZINC000769483398 1133289462 /nfs/dbraw/zinc/28/94/62/1133289462.db2.gz PWAYOEGEJMAJTK-MRXNPFEDSA-N 1 3 346.544 3.923 20 0 EHADHO Cc1c(C[N@H+](C)CC[C@H]2CCCCN2C)sc2nc(C)nc(C)c12 ZINC000769483398 1133289467 /nfs/dbraw/zinc/28/94/67/1133289467.db2.gz PWAYOEGEJMAJTK-MRXNPFEDSA-N 1 3 346.544 3.923 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184387466 1133933647 /nfs/dbraw/zinc/93/36/47/1133933647.db2.gz KRXMODMSMREDEZ-NQZOLGFYSA-N 1 3 326.406 3.566 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCCC2)cc1CN1CCCCC1 ZINC000775389846 1134703638 /nfs/dbraw/zinc/70/36/38/1134703638.db2.gz HWGXXPFVXIWKRR-QGZVFWFLSA-N 1 3 346.515 3.637 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600280 1134894709 /nfs/dbraw/zinc/89/47/09/1134894709.db2.gz DMHAEPOPJUQWII-WMLDXEAASA-N 1 3 339.321 3.654 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600280 1134894715 /nfs/dbraw/zinc/89/47/15/1134894715.db2.gz DMHAEPOPJUQWII-WMLDXEAASA-N 1 3 339.321 3.654 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1CN1CCCCC1 ZINC000806170250 1135397501 /nfs/dbraw/zinc/39/75/01/1135397501.db2.gz YJGWMENMDVBODC-XLIONFOSSA-N 1 3 348.531 3.596 20 0 EHADHO CCOCOc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738713 1135882645 /nfs/dbraw/zinc/88/26/45/1135882645.db2.gz GHXNJKALBFRCPQ-UHFFFAOYSA-N 1 3 342.483 3.753 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000809738712 1135882722 /nfs/dbraw/zinc/88/27/22/1135882722.db2.gz GHBJSWSEJQMJQP-UHFFFAOYSA-N 1 3 338.455 3.672 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCCC(C)(C)C3)cc2)CC1 ZINC001199275544 1135896130 /nfs/dbraw/zinc/89/61/30/1135896130.db2.gz KDMIQCKZSQHJRJ-NRFANRHFSA-N 1 3 343.559 3.740 20 0 EHADHO CC[C@@H](C)C[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201504011 1136029257 /nfs/dbraw/zinc/02/92/57/1136029257.db2.gz TZXSXRLYELVIJK-SJORKVTESA-N 1 3 336.545 3.850 20 0 EHADHO C[C@@H](CSC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516674 1136275839 /nfs/dbraw/zinc/27/58/39/1136275839.db2.gz JPADBJYWJXQPRA-INIZCTEOSA-N 1 3 335.561 3.803 20 0 EHADHO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850528698 1136279008 /nfs/dbraw/zinc/27/90/08/1136279008.db2.gz MNFCKVIDGDFTIA-MZTRBVECSA-N 1 3 336.479 3.665 20 0 EHADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(C3CCCC3)CC2)nc1 ZINC000850542511 1136282856 /nfs/dbraw/zinc/28/28/56/1136282856.db2.gz PYRFVVQEKKMTDS-UTKZUKDTSA-N 1 3 327.516 3.789 20 0 EHADHO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604540 1136798214 /nfs/dbraw/zinc/79/82/14/1136798214.db2.gz OWNCTVCXUYEDCL-XLIONFOSSA-N 1 3 333.520 3.810 20 0 EHADHO CC(C)C[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604540 1136798218 /nfs/dbraw/zinc/79/82/18/1136798218.db2.gz OWNCTVCXUYEDCL-XLIONFOSSA-N 1 3 333.520 3.810 20 0 EHADHO CCOc1ccc([C@H](C)NCc2ccc(CC[NH3+])cc2)cc1OCC ZINC000817947001 1136850174 /nfs/dbraw/zinc/85/01/74/1136850174.db2.gz JJYJJVWAWZICTG-INIZCTEOSA-N 1 3 342.483 3.836 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)c1cc(F)ccc1F ZINC000818960684 1136891376 /nfs/dbraw/zinc/89/13/76/1136891376.db2.gz GFRAVOCHEWXVAP-HXUWFJFHSA-N 1 3 348.437 3.628 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)c1cc(F)ccc1F ZINC000818960684 1136891380 /nfs/dbraw/zinc/89/13/80/1136891380.db2.gz GFRAVOCHEWXVAP-HXUWFJFHSA-N 1 3 348.437 3.628 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)c1c(F)cccc1F ZINC000818962778 1136891683 /nfs/dbraw/zinc/89/16/83/1136891683.db2.gz YHPVGYZFXAWTSE-LJQANCHMSA-N 1 3 348.437 3.628 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)c1c(F)cccc1F ZINC000818962778 1136891687 /nfs/dbraw/zinc/89/16/87/1136891687.db2.gz YHPVGYZFXAWTSE-LJQANCHMSA-N 1 3 348.437 3.628 20 0 EHADHO Cc1cc(C)cc([C@H](O)CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000818942491 1136893667 /nfs/dbraw/zinc/89/36/67/1136893667.db2.gz DTQPXYYIQABFAE-JOCHJYFZSA-N 1 3 338.495 3.722 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)c2ccccc2)C1 ZINC000818959787 1136895737 /nfs/dbraw/zinc/89/57/37/1136895737.db2.gz SZXCBPQBRJBWFV-GCJKJVERSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)c2ccccc2)C1 ZINC000818959787 1136895738 /nfs/dbraw/zinc/89/57/38/1136895738.db2.gz SZXCBPQBRJBWFV-GCJKJVERSA-N 1 3 338.495 3.742 20 0 EHADHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819043983 1136901540 /nfs/dbraw/zinc/90/15/40/1136901540.db2.gz WPRHELSMVNTXCJ-QGZVFWFLSA-N 1 3 344.421 3.593 20 0 EHADHO C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000820806957 1137005213 /nfs/dbraw/zinc/00/52/13/1137005213.db2.gz WEAPWEHNPBACBO-QGZVFWFLSA-N 1 3 338.499 3.594 20 0 EHADHO C[C@@H](Cc1ccccc1Br)N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246346292 1137149975 /nfs/dbraw/zinc/14/99/75/1137149975.db2.gz IRURASSWNHFDNA-GXTWGEPZSA-N 1 3 325.294 3.500 20 0 EHADHO C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246346292 1137149974 /nfs/dbraw/zinc/14/99/74/1137149974.db2.gz IRURASSWNHFDNA-GXTWGEPZSA-N 1 3 325.294 3.500 20 0 EHADHO C[N@@H+](Cc1ccc2cc[nH]c2n1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001144186049 1137250962 /nfs/dbraw/zinc/25/09/62/1137250962.db2.gz OJKHPQQVQFSKHS-GOSISDBHSA-N 1 3 334.467 3.517 20 0 EHADHO C[N@H+](Cc1ccc2cc[nH]c2n1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001144186049 1137250963 /nfs/dbraw/zinc/25/09/63/1137250963.db2.gz OJKHPQQVQFSKHS-GOSISDBHSA-N 1 3 334.467 3.517 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866240407 1137338041 /nfs/dbraw/zinc/33/80/41/1137338041.db2.gz DZQDQVLILRUUTE-MSOLQXFVSA-N 1 3 325.500 3.877 20 0 EHADHO C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000866399288 1137351854 /nfs/dbraw/zinc/35/18/54/1137351854.db2.gz REPVSAJOPRZOSJ-ROUUACIJSA-N 1 3 325.500 3.877 20 0 EHADHO c1cn2c(n1)[C@H](NCCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000866470042 1137357475 /nfs/dbraw/zinc/35/74/75/1137357475.db2.gz NWTNNNLDIGTCPQ-HXUWFJFHSA-N 1 3 338.499 3.610 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)C1 ZINC000866509902 1137359857 /nfs/dbraw/zinc/35/98/57/1137359857.db2.gz GCRQROAPSRVBAC-LMQGHGSNSA-N 1 3 334.548 3.824 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866510728 1137359997 /nfs/dbraw/zinc/35/99/97/1137359997.db2.gz PDXFRRUAKXUGFS-CTNGQTDRSA-N 1 3 334.548 3.826 20 0 EHADHO C[C@H](NC1CCC(C)([NH+](C)C)CC1)c1nc(Br)cs1 ZINC000866518431 1137360907 /nfs/dbraw/zinc/36/09/07/1137360907.db2.gz ZSLDICTWDZWXMN-IFQILLTASA-N 1 3 346.338 3.819 20 0 EHADHO C[N@H+](CCCN)C1CCC(c2ccc(Br)cc2)CC1 ZINC001246680065 1137386586 /nfs/dbraw/zinc/38/65/86/1137386586.db2.gz GOKBDJNVTOULJT-UHFFFAOYSA-N 1 3 325.294 3.756 20 0 EHADHO C[N@@H+](CCCN)C1CCC(c2ccc(Br)cc2)CC1 ZINC001246680065 1137386587 /nfs/dbraw/zinc/38/65/87/1137386587.db2.gz GOKBDJNVTOULJT-UHFFFAOYSA-N 1 3 325.294 3.756 20 0 EHADHO CCN(CC)Cc1cccc(N2c3ccccc3OC[C@H]2C[NH3+])c1F ZINC001171397781 1137470944 /nfs/dbraw/zinc/47/09/44/1137470944.db2.gz QHWDQSJDHPWRNL-MRXNPFEDSA-N 1 3 343.446 3.525 20 0 EHADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccn1 ZINC000716710585 1137488598 /nfs/dbraw/zinc/48/85/98/1137488598.db2.gz FJUBYKLKYBLNRB-VMXMFDLUSA-N 1 3 335.495 3.828 20 0 EHADHO CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716712766 1137488757 /nfs/dbraw/zinc/48/87/57/1137488757.db2.gz NGHPZMYWMHVVSF-ZGXWSNOMSA-N 1 3 328.500 3.587 20 0 EHADHO Clc1ccc(CCC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001171555186 1137497602 /nfs/dbraw/zinc/49/76/02/1137497602.db2.gz VUHZYURVHBOJCF-UHFFFAOYSA-N 1 3 329.875 3.880 20 0 EHADHO Clc1ccc(CCC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001171555186 1137497604 /nfs/dbraw/zinc/49/76/04/1137497604.db2.gz VUHZYURVHBOJCF-UHFFFAOYSA-N 1 3 329.875 3.880 20 0 EHADHO COc1ccnc(C(C)(C)CNC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171630032 1137499657 /nfs/dbraw/zinc/49/96/57/1137499657.db2.gz FTGWWIORWCHXSB-UHFFFAOYSA-N 1 3 333.520 3.609 20 0 EHADHO Cc1ccc(C2(O)CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171629496 1137499829 /nfs/dbraw/zinc/49/98/29/1137499829.db2.gz UBVGNMLOTRNTIW-UHFFFAOYSA-N 1 3 344.543 3.930 20 0 EHADHO COc1cc2c(cc1C)C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171623421 1137501283 /nfs/dbraw/zinc/50/12/83/1137501283.db2.gz YEAZXATUXZQKLK-KRWDZBQOSA-N 1 3 330.516 3.712 20 0 EHADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001171667041 1137502879 /nfs/dbraw/zinc/50/28/79/1137502879.db2.gz SWTUYVUOGYKWFL-HMXCVIKNSA-N 1 3 330.516 3.549 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963922 1137520156 /nfs/dbraw/zinc/52/01/56/1137520156.db2.gz FVXVBDVKHXLWQM-GOSISDBHSA-N 1 3 346.515 3.751 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963922 1137520157 /nfs/dbraw/zinc/52/01/57/1137520157.db2.gz FVXVBDVKHXLWQM-GOSISDBHSA-N 1 3 346.515 3.751 20 0 EHADHO CC1(C)C[C@H]([NH2+]Cc2ccc3nccn3c2)CCN1Cc1ccccc1 ZINC001171975340 1137524889 /nfs/dbraw/zinc/52/48/89/1137524889.db2.gz DPXOZFCBRNTOGT-HXUWFJFHSA-N 1 3 348.494 3.867 20 0 EHADHO COc1ccc(C2=CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172130619 1137535720 /nfs/dbraw/zinc/53/57/20/1137535720.db2.gz QQFVTHDSFYFYTC-ACDBMABISA-N 1 3 326.484 3.800 20 0 EHADHO COc1ccc(C2=CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172130619 1137535722 /nfs/dbraw/zinc/53/57/22/1137535722.db2.gz QQFVTHDSFYFYTC-ACDBMABISA-N 1 3 326.484 3.800 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172113807 1137537538 /nfs/dbraw/zinc/53/75/38/1137537538.db2.gz MODLEHXTNQPETP-IWTFSIHTSA-N 1 3 341.543 3.502 20 0 EHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000872031984 1137566491 /nfs/dbraw/zinc/56/64/91/1137566491.db2.gz ORNQDWZYKHODNU-HKBOAZHASA-N 1 3 344.543 3.734 20 0 EHADHO CC1CCC(OC2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)CC1 ZINC000873208473 1137594021 /nfs/dbraw/zinc/59/40/21/1137594021.db2.gz OIVBBFQIGNYTLX-UHFFFAOYSA-N 1 3 348.556 3.954 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2ncccc12 ZINC000873282110 1137596379 /nfs/dbraw/zinc/59/63/79/1137596379.db2.gz BWQGRSOIVCLNRM-IRLDBZIGSA-N 1 3 345.446 3.580 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000873291511 1137596593 /nfs/dbraw/zinc/59/65/93/1137596593.db2.gz WPGGKFRTYLXZMA-STQMWFEESA-N 1 3 343.298 3.803 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054334 1137668810 /nfs/dbraw/zinc/66/88/10/1137668810.db2.gz HHUPQHLDGQBLMR-MBNYWOFBSA-N 1 3 333.328 3.914 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054334 1137668811 /nfs/dbraw/zinc/66/88/11/1137668811.db2.gz HHUPQHLDGQBLMR-MBNYWOFBSA-N 1 3 333.328 3.914 20 0 EHADHO CN1CC[NH+](C2CCN(Cc3ccc(C4CCCC4)cc3)CC2)CC1 ZINC000877746089 1137687883 /nfs/dbraw/zinc/68/78/83/1137687883.db2.gz HDGHTZNTTONJPV-UHFFFAOYSA-N 1 3 341.543 3.556 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000882900485 1137837230 /nfs/dbraw/zinc/83/72/30/1137837230.db2.gz LRICEIKHDKHMND-UHFFFAOYSA-N 1 3 338.495 3.891 20 0 EHADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195130 1137848177 /nfs/dbraw/zinc/84/81/77/1137848177.db2.gz LMLVNLVMJHKRCX-AQNXPRMDSA-N 1 3 334.479 3.756 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195130 1137848178 /nfs/dbraw/zinc/84/81/78/1137848178.db2.gz LMLVNLVMJHKRCX-AQNXPRMDSA-N 1 3 334.479 3.756 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)ccc1OC ZINC000883271176 1137851779 /nfs/dbraw/zinc/85/17/79/1137851779.db2.gz HHLXUUZRBAYHNB-BXWFABGCSA-N 1 3 334.504 3.613 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H](COC)C2)ccc1OC ZINC000883320170 1137854617 /nfs/dbraw/zinc/85/46/17/1137854617.db2.gz CMMLORCLOFUHDX-TXPKVOOTSA-N 1 3 334.504 3.613 20 0 EHADHO C[C@@H]1CN(C/C(Br)=C/c2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205980829 1137959138 /nfs/dbraw/zinc/95/91/38/1137959138.db2.gz AIOHTWWYQITEOW-KOILDRITSA-N 1 3 337.305 3.729 20 0 EHADHO Cc1ccccc1CN1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885924087 1138024896 /nfs/dbraw/zinc/02/48/96/1138024896.db2.gz GXTLWYIVHRLKIP-UHFFFAOYSA-N 1 3 329.875 3.798 20 0 EHADHO COc1cc(C)cc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1OC ZINC000885987801 1138030653 /nfs/dbraw/zinc/03/06/53/1138030653.db2.gz BEAZLWMZSNWWIQ-UHFFFAOYSA-N 1 3 346.446 3.503 20 0 EHADHO CC(C)[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605391 1138101090 /nfs/dbraw/zinc/10/10/90/1138101090.db2.gz PNSJCWZPQDFVJY-SFTDATJTSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605391 1138101092 /nfs/dbraw/zinc/10/10/92/1138101092.db2.gz PNSJCWZPQDFVJY-SFTDATJTSA-N 1 3 340.515 3.619 20 0 EHADHO CC1(C)C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886623287 1138103107 /nfs/dbraw/zinc/10/31/07/1138103107.db2.gz AEQRRNXPBMUYKK-ANULTFPQSA-N 1 3 342.527 3.834 20 0 EHADHO O[C@H](CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000886650079 1138106885 /nfs/dbraw/zinc/10/68/85/1138106885.db2.gz PEDKATICLPFQSQ-JKLQHZFJSA-N 1 3 342.527 3.570 20 0 EHADHO O[C@H](CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000886650081 1138107030 /nfs/dbraw/zinc/10/70/30/1138107030.db2.gz PEDKATICLPFQSQ-WSWWRLHASA-N 1 3 342.527 3.570 20 0 EHADHO CCCN(CCOc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000037539249 1138246794 /nfs/dbraw/zinc/24/67/94/1138246794.db2.gz XEIALAUSQGMQRJ-UHFFFAOYSA-N 1 3 331.287 3.836 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000128427741 1138389118 /nfs/dbraw/zinc/38/91/18/1138389118.db2.gz DCELOKFLKKSASE-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000128427741 1138389123 /nfs/dbraw/zinc/38/91/23/1138389123.db2.gz DCELOKFLKKSASE-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132856491 1138607251 /nfs/dbraw/zinc/60/72/51/1138607251.db2.gz QVBYQCXYLMJMSL-IAGOWNOFSA-N 1 3 342.483 3.893 20 0 EHADHO CCCN1CC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000151120820 1139009914 /nfs/dbraw/zinc/00/99/14/1139009914.db2.gz ADUNIJYXSCSKPK-GOSISDBHSA-N 1 3 349.950 3.626 20 0 EHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000151118437 1139010798 /nfs/dbraw/zinc/01/07/98/1139010798.db2.gz OLEWJPUFDMYDJX-WMZOPIPTSA-N 1 3 326.488 3.563 20 0 EHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000151118437 1139010807 /nfs/dbraw/zinc/01/08/07/1139010807.db2.gz OLEWJPUFDMYDJX-WMZOPIPTSA-N 1 3 326.488 3.563 20 0 EHADHO CCCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178470671 1139697904 /nfs/dbraw/zinc/69/79/04/1139697904.db2.gz DDORNMKLYVOFER-ROUUACIJSA-N 1 3 346.515 3.627 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000181492503 1139909606 /nfs/dbraw/zinc/90/96/06/1139909606.db2.gz VTRKHSCBALBJID-HNNXBMFYSA-N 1 3 349.906 3.764 20 0 EHADHO CCCN1CCC([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000186379480 1140200691 /nfs/dbraw/zinc/20/06/91/1140200691.db2.gz BBQCBEMBPKVYCG-HXUWFJFHSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192786191 1140550692 /nfs/dbraw/zinc/55/06/92/1140550692.db2.gz VWZRHIUHKKSXOK-LJQANCHMSA-N 1 3 347.547 3.541 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432394 1141365700 /nfs/dbraw/zinc/36/57/00/1141365700.db2.gz CFCKWWABXOVORF-YRGRVCCFSA-N 1 3 337.920 3.811 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432394 1141365707 /nfs/dbraw/zinc/36/57/07/1141365707.db2.gz CFCKWWABXOVORF-YRGRVCCFSA-N 1 3 337.920 3.811 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc2ccccc21 ZINC000271537446 1141391049 /nfs/dbraw/zinc/39/10/49/1141391049.db2.gz SFMSGKOYPZOULK-USCONSEESA-N 1 3 338.495 3.868 20 0 EHADHO C[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H](C)CN1C ZINC001164635485 719211665 /nfs/dbraw/zinc/21/16/65/719211665.db2.gz IQJRVPISIZBDME-IAGOWNOFSA-N 1 3 334.467 3.613 20 0 EHADHO Cc1cccnc1[C@@H](NCc1cc2c(s1)CC[NH2+]C2)C(C)(C)C ZINC000904469454 1032068381 /nfs/dbraw/zinc/06/83/81/1032068381.db2.gz MTWGKZQROMOXJD-GOSISDBHSA-N 1 3 329.513 3.974 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C)c1F ZINC000537971897 1032071342 /nfs/dbraw/zinc/07/13/42/1032071342.db2.gz LPBHCTZXZHICDK-FGTMMUONSA-N 1 3 336.495 3.983 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000154233880 1015267411 /nfs/dbraw/zinc/26/74/11/1015267411.db2.gz HBKMRXISSYSGQS-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO CC(C)CN1CCC([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538063362 1032125165 /nfs/dbraw/zinc/12/51/65/1032125165.db2.gz SIWSLTYIJAWWCS-IBGZPJMESA-N 1 3 345.487 3.941 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)CCN1C ZINC000154680109 1015757117 /nfs/dbraw/zinc/75/71/17/1015757117.db2.gz FZHJBGKRLDNZOP-RHSMWYFYSA-N 1 3 329.419 3.585 20 0 EHADHO C[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000165308243 1016450885 /nfs/dbraw/zinc/45/08/85/1016450885.db2.gz OGYAFGOJEJOYHD-KRWDZBQOSA-N 1 3 349.950 3.626 20 0 EHADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001125337556 1016660227 /nfs/dbraw/zinc/66/02/27/1016660227.db2.gz ACYLBRALIRBZII-HXUWFJFHSA-N 1 3 343.515 3.526 20 0 EHADHO Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311514604 1016799822 /nfs/dbraw/zinc/79/98/22/1016799822.db2.gz HZOSZNQNFNRNQX-YLJYHZDGSA-N 1 3 348.494 3.643 20 0 EHADHO Fc1ccccc1-c1ncc(C[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000449076373 1032164641 /nfs/dbraw/zinc/16/46/41/1032164641.db2.gz PEPJXRHLRGUYKA-CYBMUJFWSA-N 1 3 331.460 3.523 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc(C)c1F ZINC000536843108 1032337314 /nfs/dbraw/zinc/33/73/14/1032337314.db2.gz CSYMOVCJHGMPJY-FFZOFVMBSA-N 1 3 348.506 3.861 20 0 EHADHO C[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1nccs1 ZINC000449234521 1032352712 /nfs/dbraw/zinc/35/27/12/1032352712.db2.gz CHWJCDMIVLZLFW-IAGOWNOFSA-N 1 3 343.540 3.932 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000606432084 1032677824 /nfs/dbraw/zinc/67/78/24/1032677824.db2.gz NQFLTAMARMZYOZ-JQVVWYNYSA-N 1 3 341.543 3.554 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000606432084 1032677837 /nfs/dbraw/zinc/67/78/37/1032677837.db2.gz NQFLTAMARMZYOZ-JQVVWYNYSA-N 1 3 341.543 3.554 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415109711 1017559003 /nfs/dbraw/zinc/55/90/03/1017559003.db2.gz OCAOSAGMAVKEAW-FPOVZHCZSA-N 1 3 346.515 3.584 20 0 EHADHO CC[NH+]1CCC(CNCc2nc(-c3cccc(OC)c3)cs2)CC1 ZINC000892939503 1017794511 /nfs/dbraw/zinc/79/45/11/1017794511.db2.gz QWQAQRVVNGPMKC-UHFFFAOYSA-N 1 3 345.512 3.640 20 0 EHADHO CC[C@]1(C[NH2+]C2CCN(C(C)(C)C)CC2)OCCc2ccccc21 ZINC000377798837 1018387199 /nfs/dbraw/zinc/38/71/99/1018387199.db2.gz NKPFIZHKMIKWSY-OAQYLSRUSA-N 1 3 330.516 3.717 20 0 EHADHO c1nc(CNCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000894170086 1018998048 /nfs/dbraw/zinc/99/80/48/1018998048.db2.gz OAWMJQROIJSODX-UHFFFAOYSA-N 1 3 346.478 3.962 20 0 EHADHO c1ncc(CNCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000894170086 1018998066 /nfs/dbraw/zinc/99/80/66/1018998066.db2.gz OAWMJQROIJSODX-UHFFFAOYSA-N 1 3 346.478 3.962 20 0 EHADHO COC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513668418 1019920920 /nfs/dbraw/zinc/92/09/20/1019920920.db2.gz YEEHXTZCXIONMH-VAMGGRTRSA-N 1 3 330.516 3.692 20 0 EHADHO CO[C@H](CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000345509617 1020307294 /nfs/dbraw/zinc/30/72/94/1020307294.db2.gz JBQUPFVMWAHDRL-VNQPRFMTSA-N 1 3 336.442 3.587 20 0 EHADHO Fc1cccc2c1CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682884 1021161767 /nfs/dbraw/zinc/16/17/67/1021161767.db2.gz HMZYNFUXFCAKHE-OAQYLSRUSA-N 1 3 339.458 3.710 20 0 EHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(C)C ZINC000656784925 1021340713 /nfs/dbraw/zinc/34/07/13/1021340713.db2.gz IEBAQASZMFZZJY-IBGZPJMESA-N 1 3 346.515 3.694 20 0 EHADHO C[C@@H](C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000415002917 1021588604 /nfs/dbraw/zinc/58/86/04/1021588604.db2.gz MQPOWXPSYBLSJL-NBHGPNQESA-N 1 3 326.459 3.912 20 0 EHADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000135177186 1123589109 /nfs/dbraw/zinc/58/91/09/1123589109.db2.gz GJULAAMZEKTQLK-HZMBPMFUSA-N 1 3 331.685 3.532 20 0 EHADHO Cc1c(C)c(C)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1C ZINC000441204664 1022063394 /nfs/dbraw/zinc/06/33/94/1022063394.db2.gz NQTDFVDCMCDFCK-ILWGZMRPSA-N 1 3 344.543 3.912 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402302 1022217808 /nfs/dbraw/zinc/21/78/08/1022217808.db2.gz HGVHKMJWTIJGOP-ICSRJNTNSA-N 1 3 328.500 3.631 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402302 1022217822 /nfs/dbraw/zinc/21/78/22/1022217822.db2.gz HGVHKMJWTIJGOP-ICSRJNTNSA-N 1 3 328.500 3.631 20 0 EHADHO c1ccc(OCCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119182 1022385556 /nfs/dbraw/zinc/38/55/56/1022385556.db2.gz JKNPOXOYGFOOOW-NQIIRXRSSA-N 1 3 328.500 3.794 20 0 EHADHO c1ccc(OCCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119182 1022385571 /nfs/dbraw/zinc/38/55/71/1022385571.db2.gz JKNPOXOYGFOOOW-NQIIRXRSSA-N 1 3 328.500 3.794 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNCc2ccc([S@](C)=O)cc2)c1 ZINC000085302776 1022417128 /nfs/dbraw/zinc/41/71/28/1022417128.db2.gz NWASVSYIYNBAHX-XMMPIXPASA-N 1 3 344.524 3.556 20 0 EHADHO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156518828 1022498861 /nfs/dbraw/zinc/49/88/61/1022498861.db2.gz OAODXDQZPJBJGB-HSMVNMDESA-N 1 3 330.394 3.532 20 0 EHADHO CC[NH2+]CC1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000130005351 1022519338 /nfs/dbraw/zinc/51/93/38/1022519338.db2.gz STRMWMRWTBQPHN-UHFFFAOYSA-N 1 3 331.287 3.694 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158194287 1022918608 /nfs/dbraw/zinc/91/86/08/1022918608.db2.gz FSZOBCRZAFADJN-ZFWWWQNUSA-N 1 3 330.501 3.506 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158194287 1022918621 /nfs/dbraw/zinc/91/86/21/1022918621.db2.gz FSZOBCRZAFADJN-ZFWWWQNUSA-N 1 3 330.501 3.506 20 0 EHADHO Cc1ccc(-c2ncc(CN3CCC(C[NH+](C)C)CC3)s2)cc1 ZINC000506880978 1022971214 /nfs/dbraw/zinc/97/12/14/1022971214.db2.gz MDBQVLHZMLXEAZ-UHFFFAOYSA-N 1 3 329.513 3.892 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414948179 1022973037 /nfs/dbraw/zinc/97/30/37/1022973037.db2.gz LSNPRYOWRPBPBX-KBRIMQKVSA-N 1 3 339.321 3.890 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2NCCc3ccccc32)CC1 ZINC000414955850 1023017296 /nfs/dbraw/zinc/01/72/96/1023017296.db2.gz NTCSTVMLIUDDSS-WTNAPCKOSA-N 1 3 341.543 3.506 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414963519 1023101206 /nfs/dbraw/zinc/10/12/06/1023101206.db2.gz KXDLNFIOKVFCRL-KSEOMHKRSA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414963519 1023101211 /nfs/dbraw/zinc/10/12/11/1023101211.db2.gz KXDLNFIOKVFCRL-KSEOMHKRSA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000414963519 1023101218 /nfs/dbraw/zinc/10/12/18/1023101218.db2.gz KXDLNFIOKVFCRL-KSEOMHKRSA-N 1 3 335.495 3.577 20 0 EHADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198152 1033105914 /nfs/dbraw/zinc/10/59/14/1033105914.db2.gz CSARPUJJHQZBEB-DYVFJYSZSA-N 1 3 337.305 3.974 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000514086972 1024120415 /nfs/dbraw/zinc/12/04/15/1024120415.db2.gz DXBYNNAGJWLTKX-OWCLPIDISA-N 1 3 328.378 3.548 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000514086972 1024120422 /nfs/dbraw/zinc/12/04/22/1024120422.db2.gz DXBYNNAGJWLTKX-OWCLPIDISA-N 1 3 328.378 3.548 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000514086972 1024120427 /nfs/dbraw/zinc/12/04/27/1024120427.db2.gz DXBYNNAGJWLTKX-OWCLPIDISA-N 1 3 328.378 3.548 20 0 EHADHO CC1CCN(CC[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168007397 1024465223 /nfs/dbraw/zinc/46/52/23/1024465223.db2.gz RXTJHGZKTLJPAN-VTYHHJSWSA-N 1 3 343.559 3.750 20 0 EHADHO CCn1nc(CNCCCCC[NH+]2CCCCC2)c2ccccc21 ZINC000472080576 1024632322 /nfs/dbraw/zinc/63/23/22/1024632322.db2.gz QSJMTRMQPWBXGB-UHFFFAOYSA-N 1 3 328.504 3.802 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991344 1025165980 /nfs/dbraw/zinc/16/59/80/1025165980.db2.gz VQCCAYFGYAARHU-GFCCVEGCSA-N 1 3 335.439 3.764 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991344 1025165991 /nfs/dbraw/zinc/16/59/91/1025165991.db2.gz VQCCAYFGYAARHU-GFCCVEGCSA-N 1 3 335.439 3.764 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1OC ZINC000474601869 1025189370 /nfs/dbraw/zinc/18/93/70/1025189370.db2.gz MHPRSEIHWWQYEY-KSZLIROESA-N 1 3 348.531 3.907 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1OC ZINC000474601872 1025189904 /nfs/dbraw/zinc/18/99/04/1025189904.db2.gz MHPRSEIHWWQYEY-RCCFBDPRSA-N 1 3 348.531 3.907 20 0 EHADHO c1cc(-c2ncc(CN3CCC([C@H]4CCC[NH2+]4)CC3)s2)cs1 ZINC000347063210 1025475557 /nfs/dbraw/zinc/47/55/57/1025475557.db2.gz IYEQUJPRVJNQJB-MRXNPFEDSA-N 1 3 333.526 3.836 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442874119 1025544280 /nfs/dbraw/zinc/54/42/80/1025544280.db2.gz LUZUYEFJVPXYND-ZDUSSCGKSA-N 1 3 344.330 3.670 20 0 EHADHO c1ccc([C@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000436469033 1025762667 /nfs/dbraw/zinc/76/26/67/1025762667.db2.gz QWVOONOOWPMAOJ-QFIPXVFZSA-N 1 3 344.462 3.825 20 0 EHADHO Fc1ccc(C(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301343 1025786468 /nfs/dbraw/zinc/78/64/68/1025786468.db2.gz BXDCVRFLSLFCDM-ZWKOTPCHSA-N 1 3 342.433 3.638 20 0 EHADHO FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192922185 1026640879 /nfs/dbraw/zinc/64/08/79/1026640879.db2.gz OBFNNYHKYCYEBI-KRWDZBQOSA-N 1 3 346.421 3.900 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000531178189 1026672566 /nfs/dbraw/zinc/67/25/66/1026672566.db2.gz FGVZLXJVXVSUIS-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000531178189 1026672568 /nfs/dbraw/zinc/67/25/68/1026672568.db2.gz FGVZLXJVXVSUIS-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000531178189 1026672570 /nfs/dbraw/zinc/67/25/70/1026672570.db2.gz FGVZLXJVXVSUIS-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123325041 1027171742 /nfs/dbraw/zinc/17/17/42/1027171742.db2.gz BYTGOWVDQOLLKQ-HDICACEKSA-N 1 3 325.500 3.793 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123325041 1027171754 /nfs/dbraw/zinc/17/17/54/1027171754.db2.gz BYTGOWVDQOLLKQ-HDICACEKSA-N 1 3 325.500 3.793 20 0 EHADHO CC(C)OC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000501427164 1027274370 /nfs/dbraw/zinc/27/43/70/1027274370.db2.gz WAPBGGYUAOPGAB-INIZCTEOSA-N 1 3 338.923 3.955 20 0 EHADHO CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453096558 1027362152 /nfs/dbraw/zinc/36/21/52/1027362152.db2.gz UBDXIZZGGXZVQT-BDTNDASRSA-N 1 3 341.543 3.504 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCN1C ZINC000453122596 1027399849 /nfs/dbraw/zinc/39/98/49/1027399849.db2.gz QJFVCUUPQFWIRQ-MSEOUXRUSA-N 1 3 341.543 3.502 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453133804 1027437598 /nfs/dbraw/zinc/43/75/98/1027437598.db2.gz RJGKICYVXOMKBX-BRWVUGGUSA-N 1 3 326.406 3.972 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453133804 1027437607 /nfs/dbraw/zinc/43/76/07/1027437607.db2.gz RJGKICYVXOMKBX-BRWVUGGUSA-N 1 3 326.406 3.972 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000420301059 1027448729 /nfs/dbraw/zinc/44/87/29/1027448729.db2.gz IIKPTMCUPNUGNW-RXVVDRJESA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000420301059 1027448741 /nfs/dbraw/zinc/44/87/41/1027448741.db2.gz IIKPTMCUPNUGNW-RXVVDRJESA-N 1 3 340.467 3.583 20 0 EHADHO Cn1c2ccccc2nc1[C@H](NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000420413794 1027515319 /nfs/dbraw/zinc/51/53/19/1027515319.db2.gz SZVQBQJXSSVXCQ-OAQYLSRUSA-N 1 3 348.494 3.642 20 0 EHADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)s1 ZINC000657613477 1027631293 /nfs/dbraw/zinc/63/12/93/1027631293.db2.gz KYSNUXBSZWYYMY-UHFFFAOYSA-N 1 3 329.513 3.762 20 0 EHADHO Fc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1Cl ZINC000657612984 1027632426 /nfs/dbraw/zinc/63/24/26/1027632426.db2.gz SQJZOUIUKWVPKZ-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO [NH3+][C@H]1CCC[C@H]1NCCc1cccc(OCCCc2ccccc2)c1 ZINC000422716988 1027885690 /nfs/dbraw/zinc/88/56/90/1027885690.db2.gz VCXZROVAFPQYCC-FCHUYYIVSA-N 1 3 338.495 3.710 20 0 EHADHO c1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422728129 1027897899 /nfs/dbraw/zinc/89/78/99/1027897899.db2.gz FDUIPAZMSWVIDC-ONTIZHBOSA-N 1 3 334.463 3.910 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc(C(C)(C)C)cs1 ZINC000422747922 1027915777 /nfs/dbraw/zinc/91/57/77/1027915777.db2.gz ZWESPIBHXRJBOZ-ZBFHGGJFSA-N 1 3 331.529 3.531 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422773542 1027929719 /nfs/dbraw/zinc/92/97/19/1027929719.db2.gz UKGQJGJQTNKBHP-IAGOWNOFSA-N 1 3 334.467 3.755 20 0 EHADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777981 1027933460 /nfs/dbraw/zinc/93/34/60/1027933460.db2.gz DFOGFKFDOXBBJJ-RBUKOAKNSA-N 1 3 335.923 3.554 20 0 EHADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777981 1027933470 /nfs/dbraw/zinc/93/34/70/1027933470.db2.gz DFOGFKFDOXBBJJ-RBUKOAKNSA-N 1 3 335.923 3.554 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000422787800 1027943351 /nfs/dbraw/zinc/94/33/51/1027943351.db2.gz QMLONUMNDZUTQX-DOTOQJQBSA-N 1 3 327.472 3.667 20 0 EHADHO CCc1nc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])ccc2n1C1CC1 ZINC000582839339 1027967851 /nfs/dbraw/zinc/96/78/51/1027967851.db2.gz XFXAWZJJYYKSRO-NVXWUHKLSA-N 1 3 326.488 3.541 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422842837 1028004877 /nfs/dbraw/zinc/00/48/77/1028004877.db2.gz GPVXTLZDPMJVGO-QXAKKESOSA-N 1 3 335.923 3.584 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C(C)C)[C@@H](C)c2ccsc2)CC1 ZINC000421019587 1028007705 /nfs/dbraw/zinc/00/77/05/1028007705.db2.gz YHYJXCJNRKQWOR-SFHVURJKSA-N 1 3 337.577 3.936 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C(C)C)[C@@H](C)c2ccsc2)CC1 ZINC000421019587 1028007724 /nfs/dbraw/zinc/00/77/24/1028007724.db2.gz YHYJXCJNRKQWOR-SFHVURJKSA-N 1 3 337.577 3.936 20 0 EHADHO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422899079 1028035020 /nfs/dbraw/zinc/03/50/20/1028035020.db2.gz NPXTWBZUSGVCID-HOTGVXAUSA-N 1 3 327.472 3.584 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(Sc2ccccc2)CC1 ZINC000422907932 1028040602 /nfs/dbraw/zinc/04/06/02/1028040602.db2.gz LUUKQINILABIGG-VQIMIIECSA-N 1 3 326.509 3.859 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](C)C[C@H](C)[NH3+])CCC3)cc1 ZINC000422909716 1028043767 /nfs/dbraw/zinc/04/37/67/1028043767.db2.gz OVWQGMUEARLMRP-HEHGZKQESA-N 1 3 345.512 3.912 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422964028 1028079335 /nfs/dbraw/zinc/07/93/35/1028079335.db2.gz KFYTVPCUIZKMBV-YADHBBJMSA-N 1 3 346.478 3.848 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423039115 1028144662 /nfs/dbraw/zinc/14/46/62/1028144662.db2.gz PTRDQEIAUIMGSE-QKMWGZLOSA-N 1 3 343.446 3.559 20 0 EHADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423040926 1028146242 /nfs/dbraw/zinc/14/62/42/1028146242.db2.gz VLBXINJTSMDNAK-GEALJGNFSA-N 1 3 326.415 3.780 20 0 EHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423060853 1028153603 /nfs/dbraw/zinc/15/36/03/1028153603.db2.gz PJWAUHXLTUWRPM-CJNGLKHVSA-N 1 3 326.406 3.844 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(Br)s2)CCC1 ZINC000423098974 1028182172 /nfs/dbraw/zinc/18/21/72/1028182172.db2.gz DPGNJIPVAIEBDJ-MNOVXSKESA-N 1 3 331.323 3.648 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423096755 1028180219 /nfs/dbraw/zinc/18/02/19/1028180219.db2.gz PSXJMVDDPVUGKV-JXFSHQFZSA-N 1 3 341.268 3.551 20 0 EHADHO C[C@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000423125114 1028192204 /nfs/dbraw/zinc/19/22/04/1028192204.db2.gz HRDAWSRWCXIJPK-NORZTCDRSA-N 1 3 337.305 3.660 20 0 EHADHO CC1(C)Cc2ccc(Br)cc2[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000423125418 1028193294 /nfs/dbraw/zinc/19/32/94/1028193294.db2.gz IBUUUQAATIULFO-HOCLYGCPSA-N 1 3 337.305 3.804 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000423127437 1028194048 /nfs/dbraw/zinc/19/40/48/1028194048.db2.gz TVVDRUMMODQRLK-MLGOLLRUSA-N 1 3 331.287 3.788 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000423160145 1028233430 /nfs/dbraw/zinc/23/34/30/1028233430.db2.gz HBRFXKCPWNGSSO-GFCCVEGCSA-N 1 3 348.288 3.505 20 0 EHADHO NC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCCC1 ZINC000423209021 1028254060 /nfs/dbraw/zinc/25/40/60/1028254060.db2.gz ZLYNJUKSQOLUJC-VQIMIIECSA-N 1 3 334.479 3.935 20 0 EHADHO C[C@H](N[C@H]1CCCc2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423215874 1028282755 /nfs/dbraw/zinc/28/27/55/1028282755.db2.gz NSZAJWIZXZWONL-JDFRZJQESA-N 1 3 337.305 3.804 20 0 EHADHO CC(C)(N)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423288765 1028325101 /nfs/dbraw/zinc/32/51/01/1028325101.db2.gz UWDHHUYBKLVBFI-AWEZNQCLSA-N 1 3 336.277 3.635 20 0 EHADHO COc1cc(C)c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423293941 1028351609 /nfs/dbraw/zinc/35/16/09/1028351609.db2.gz SOBJLXBQTHFDDA-HUUCEWRRSA-N 1 3 328.456 3.883 20 0 EHADHO COc1cc(C)c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423293940 1028352881 /nfs/dbraw/zinc/35/28/81/1028352881.db2.gz SOBJLXBQTHFDDA-GJZGRUSLSA-N 1 3 328.456 3.883 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)c1OC ZINC000423294172 1028353729 /nfs/dbraw/zinc/35/37/29/1028353729.db2.gz TXEXZOWBEUFSTH-CABCVRRESA-N 1 3 328.456 3.883 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423362054 1028388166 /nfs/dbraw/zinc/38/81/66/1028388166.db2.gz ASZNGOUXZGPEON-IRWJRLHMSA-N 1 3 326.406 3.929 20 0 EHADHO Brc1cccc2c1CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423399139 1028409198 /nfs/dbraw/zinc/40/91/98/1028409198.db2.gz UQTSNGQVPZXCGZ-GOSISDBHSA-N 1 3 343.268 3.829 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423402936 1028421477 /nfs/dbraw/zinc/42/14/77/1028421477.db2.gz WTXUSUBOHDBBNF-SFHVURJKSA-N 1 3 343.268 3.829 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@H](C)N)CCC3)cc1 ZINC000423436034 1028444368 /nfs/dbraw/zinc/44/43/68/1028444368.db2.gz FERLZVTVDOTSGT-SLEUVZQESA-N 1 3 331.485 3.521 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423531557 1028484367 /nfs/dbraw/zinc/48/43/67/1028484367.db2.gz SUCDAYJKSPDVNW-YLDONLODSA-N 1 3 342.527 3.760 20 0 EHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C)cc1 ZINC000548783600 1028528999 /nfs/dbraw/zinc/52/89/99/1028528999.db2.gz RAPVCTBPOUJCDM-UHFFFAOYSA-N 1 3 331.548 3.623 20 0 EHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C)cc1 ZINC000548783600 1028529001 /nfs/dbraw/zinc/52/90/01/1028529001.db2.gz RAPVCTBPOUJCDM-UHFFFAOYSA-N 1 3 331.548 3.623 20 0 EHADHO C[C@@H](c1ccccc1Br)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414757938 1028585681 /nfs/dbraw/zinc/58/56/81/1028585681.db2.gz MCJRCUOGQRICGR-RDBSUJKOSA-N 1 3 325.294 3.830 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000248409898 1028893187 /nfs/dbraw/zinc/89/31/87/1028893187.db2.gz XGWPKTBSLCFYLG-MXEMCNAFSA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H]1CC2(CN1Cc1csc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424289083 1028931072 /nfs/dbraw/zinc/93/10/72/1028931072.db2.gz LKNAKBQBSKKQFR-HNNXBMFYSA-N 1 3 327.497 3.774 20 0 EHADHO C[C@@H]1CC2(CN1CCOc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424296647 1028935288 /nfs/dbraw/zinc/93/52/88/1028935288.db2.gz SDGQLXCNLWVAAY-CYBMUJFWSA-N 1 3 343.298 3.836 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000162549538 1028973590 /nfs/dbraw/zinc/97/35/90/1028973590.db2.gz FMEXFJDBIWZLQZ-LJQANCHMSA-N 1 3 342.508 3.954 20 0 EHADHO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000424336640 1028985263 /nfs/dbraw/zinc/98/52/63/1028985263.db2.gz ZBNAVAKWJQIVQI-UHFFFAOYSA-N 1 3 326.525 3.597 20 0 EHADHO CC(C)(C)OC(=O)C(C)(C)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000424336640 1028985278 /nfs/dbraw/zinc/98/52/78/1028985278.db2.gz ZBNAVAKWJQIVQI-UHFFFAOYSA-N 1 3 326.525 3.597 20 0 EHADHO CC(C)N(Cc1cccc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435788 1029007664 /nfs/dbraw/zinc/00/76/64/1029007664.db2.gz BAERTVXETFKDIW-OAHLLOKOSA-N 1 3 325.294 3.659 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000123873345 1029059058 /nfs/dbraw/zinc/05/90/58/1029059058.db2.gz DVZDYPBKKLXCBI-MRXNPFEDSA-N 1 3 339.483 3.948 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000123873345 1029059076 /nfs/dbraw/zinc/05/90/76/1029059076.db2.gz DVZDYPBKKLXCBI-MRXNPFEDSA-N 1 3 339.483 3.948 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC2(Br)CC2)CC1 ZINC001167658888 1029195440 /nfs/dbraw/zinc/19/54/40/1029195440.db2.gz LRUXXUDTPYLFQO-OAHLLOKOSA-N 1 3 343.353 3.890 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC2(Br)CC2)CC1 ZINC001167658888 1029195447 /nfs/dbraw/zinc/19/54/47/1029195447.db2.gz LRUXXUDTPYLFQO-OAHLLOKOSA-N 1 3 343.353 3.890 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(CO)c2)c1 ZINC000271954566 1029245689 /nfs/dbraw/zinc/24/56/89/1029245689.db2.gz KRUFLYTULYUHKC-QGZVFWFLSA-N 1 3 326.484 3.870 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(CO)c2)c1 ZINC000271954566 1029245702 /nfs/dbraw/zinc/24/57/02/1029245702.db2.gz KRUFLYTULYUHKC-QGZVFWFLSA-N 1 3 326.484 3.870 20 0 EHADHO CCCC[C@H](C[NH3+])N[C@H](C)Cc1ccc(Br)cc1F ZINC000414816731 1029371740 /nfs/dbraw/zinc/37/17/40/1029371740.db2.gz QIJCTWVDVXATCW-BXUZGUMPSA-N 1 3 331.273 3.626 20 0 EHADHO Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000272683328 1029565769 /nfs/dbraw/zinc/56/57/69/1029565769.db2.gz SXESSCWFISDCQW-LPHOPBHVSA-N 1 3 343.540 3.803 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2COC)[C@H](C)C1 ZINC000508727221 1029836178 /nfs/dbraw/zinc/83/61/78/1029836178.db2.gz PBOKPVBYQLHPEF-IUPPMXBZSA-N 1 3 330.516 3.898 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2COC)[C@H](C)C1 ZINC000508727221 1029836168 /nfs/dbraw/zinc/83/61/68/1029836168.db2.gz PBOKPVBYQLHPEF-IUPPMXBZSA-N 1 3 330.516 3.898 20 0 EHADHO C[N@H+](CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000453420172 1030270325 /nfs/dbraw/zinc/27/03/25/1030270325.db2.gz ZLBUAQBCIDXXSQ-FQEVSTJZSA-N 1 3 327.447 3.774 20 0 EHADHO C[N@@H+](CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000453420172 1030270339 /nfs/dbraw/zinc/27/03/39/1030270339.db2.gz ZLBUAQBCIDXXSQ-FQEVSTJZSA-N 1 3 327.447 3.774 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093088565 1030558045 /nfs/dbraw/zinc/55/80/45/1030558045.db2.gz CPFVHWJQSHHYJC-UHFFFAOYSA-N 1 3 340.515 3.769 20 0 EHADHO [NH3+]Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000650753274 1030694633 /nfs/dbraw/zinc/69/46/33/1030694633.db2.gz KITGXDKPCIIGAW-JXFKEZNVSA-N 1 3 328.431 3.542 20 0 EHADHO N[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806577 1030810605 /nfs/dbraw/zinc/81/06/05/1030810605.db2.gz AOYKKUIBQGPKIL-CABCVRRESA-N 1 3 331.460 3.654 20 0 EHADHO FC(F)SCc1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000278503096 1031145936 /nfs/dbraw/zinc/14/59/36/1031145936.db2.gz OIAWDNYRMVGGQF-UHFFFAOYSA-N 1 3 330.444 3.699 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515528 1031199797 /nfs/dbraw/zinc/19/97/97/1031199797.db2.gz QETNXAXLKGZROJ-WZONZLPQSA-N 1 3 349.522 3.772 20 0 EHADHO C[C@H]1C[C@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100059 1031329358 /nfs/dbraw/zinc/32/93/58/1031329358.db2.gz FPJSMAIGZRVKGN-XJKSGUPXSA-N 1 3 342.405 3.523 20 0 EHADHO CC[NH+]1CCC(CCN[C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527861939 1031342938 /nfs/dbraw/zinc/34/29/38/1031342938.db2.gz DUIVSMIFYQJXQN-QGZVFWFLSA-N 1 3 340.515 3.860 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995427 1031446381 /nfs/dbraw/zinc/44/63/81/1031446381.db2.gz NSLOLRDFWCSTKK-CJNGLKHVSA-N 1 3 326.406 3.901 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000178036511 1031612204 /nfs/dbraw/zinc/61/22/04/1031612204.db2.gz QHDQBBPSPXRANX-QKLQHJQFSA-N 1 3 334.504 3.625 20 0 EHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CC(C)(C)c3ccccc32)ccn1 ZINC000179509763 1031781026 /nfs/dbraw/zinc/78/10/26/1031781026.db2.gz DBKXNXXUSVUUFF-LJQANCHMSA-N 1 3 339.483 3.534 20 0 EHADHO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000669690523 1033792253 /nfs/dbraw/zinc/79/22/53/1033792253.db2.gz ACZAUUFLYVILLF-QFIPXVFZSA-N 1 3 343.559 3.658 20 0 EHADHO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000669690523 1033792265 /nfs/dbraw/zinc/79/22/65/1033792265.db2.gz ACZAUUFLYVILLF-QFIPXVFZSA-N 1 3 343.559 3.658 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC34CCCC4)CC2)ccn1 ZINC000658163562 1034027317 /nfs/dbraw/zinc/02/73/17/1034027317.db2.gz KPSVJUGDAQTBIC-HXUWFJFHSA-N 1 3 327.516 3.996 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)C(F)F ZINC000658166971 1034029409 /nfs/dbraw/zinc/02/94/09/1034029409.db2.gz WRZVCGLVSPGXFM-CQSZACIVSA-N 1 3 325.447 3.563 20 0 EHADHO CN(C)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000605026328 1034597593 /nfs/dbraw/zinc/59/75/93/1034597593.db2.gz ONPWWKLHTFRCHL-HYXAFXHYSA-N 1 3 337.305 3.878 20 0 EHADHO Cc1cccc(CCCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000375850687 1034719141 /nfs/dbraw/zinc/71/91/41/1034719141.db2.gz JRMFMAUJKZCNSC-LAUBAEHRSA-N 1 3 329.532 3.955 20 0 EHADHO C[C@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492351900 1035654259 /nfs/dbraw/zinc/65/42/59/1035654259.db2.gz NUKOEWWLIXFKNX-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492351900 1035654265 /nfs/dbraw/zinc/65/42/65/1035654265.db2.gz NUKOEWWLIXFKNX-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351900 1035654280 /nfs/dbraw/zinc/65/42/80/1035654280.db2.gz NUKOEWWLIXFKNX-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO CC1(C)OCc2cc(CN3CCC(C[NH+]4CCCC4)CC3)ccc2O1 ZINC000186616033 1035672168 /nfs/dbraw/zinc/67/21/68/1035672168.db2.gz LINOBEGOBQCJBB-UHFFFAOYSA-N 1 3 344.499 3.640 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136035 1035702232 /nfs/dbraw/zinc/70/22/32/1035702232.db2.gz HPHPKARTABPLTP-HKUYNNGSSA-N 1 3 349.950 3.592 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000613491558 1036082212 /nfs/dbraw/zinc/08/22/12/1036082212.db2.gz XYMRVIRILBDDEO-UHFFFAOYSA-N 1 3 340.515 3.816 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000613491558 1036082232 /nfs/dbraw/zinc/08/22/32/1036082232.db2.gz XYMRVIRILBDDEO-UHFFFAOYSA-N 1 3 340.515 3.816 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414233050 1036195490 /nfs/dbraw/zinc/19/54/90/1036195490.db2.gz QWHHMAZTERQJMN-XLIONFOSSA-N 1 3 347.547 3.606 20 0 EHADHO c1ccc(C[NH+]2CCC(NCc3ccc4cccnc4c3)CC2)cc1 ZINC000589633534 1036567246 /nfs/dbraw/zinc/56/72/46/1036567246.db2.gz MOMKNPMEYHZWQX-UHFFFAOYSA-N 1 3 331.463 3.989 20 0 EHADHO CCN(C)C[C@@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788119 1036788998 /nfs/dbraw/zinc/78/89/98/1036788998.db2.gz HYFMQGCLYUECBO-SFHVURJKSA-N 1 3 326.484 3.882 20 0 EHADHO CCN(C)C[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788119 1036789020 /nfs/dbraw/zinc/78/90/20/1036789020.db2.gz HYFMQGCLYUECBO-SFHVURJKSA-N 1 3 326.484 3.882 20 0 EHADHO COCc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310895520 1036921419 /nfs/dbraw/zinc/92/14/19/1036921419.db2.gz AEQPVCQTCOVYNB-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310895520 1036921434 /nfs/dbraw/zinc/92/14/34/1036921434.db2.gz AEQPVCQTCOVYNB-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310895520 1036921451 /nfs/dbraw/zinc/92/14/51/1036921451.db2.gz AEQPVCQTCOVYNB-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO FC(F)Oc1cccc(Cl)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000647542569 1037080946 /nfs/dbraw/zinc/08/09/46/1037080946.db2.gz GJVXEWQZWZVJKM-UHFFFAOYSA-N 1 3 330.806 3.517 20 0 EHADHO Brc1csc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543917 1037097181 /nfs/dbraw/zinc/09/71/81/1037097181.db2.gz ULBXNLAXZDARLR-CHWSQXEVSA-N 1 3 343.334 3.722 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3ccncc3C)C2)s1 ZINC000573123352 1037295715 /nfs/dbraw/zinc/29/57/15/1037295715.db2.gz GAUDIPJHBIAJAB-GOSISDBHSA-N 1 3 343.540 3.756 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3ccncc3C)C2)s1 ZINC000573123352 1037295733 /nfs/dbraw/zinc/29/57/33/1037295733.db2.gz GAUDIPJHBIAJAB-GOSISDBHSA-N 1 3 343.540 3.756 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000540161214 1037620088 /nfs/dbraw/zinc/62/00/88/1037620088.db2.gz PMFOKCBTSXUMJY-RZAIGCCYSA-N 1 3 340.870 3.508 20 0 EHADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030644 1037687032 /nfs/dbraw/zinc/68/70/32/1037687032.db2.gz UDMMLZMWJDPVJT-MJGOQNOKSA-N 1 3 348.531 3.607 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000125109710 1038281113 /nfs/dbraw/zinc/28/11/13/1038281113.db2.gz IHFLPQOGVOLRKY-WIRSXHRWSA-N 1 3 329.532 3.530 20 0 EHADHO Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000668820705 1038835152 /nfs/dbraw/zinc/83/51/52/1038835152.db2.gz XNBFIFQIOIBIGJ-XRTORIHISA-N 1 3 334.454 3.922 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@](C)(O)C3CCCCC3)CC2)C1 ZINC000477869581 1039005232 /nfs/dbraw/zinc/00/52/32/1039005232.db2.gz XZPHKWLDNRGUNN-UIFIKXQLSA-N 1 3 336.564 3.950 20 0 EHADHO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552251355 1039131401 /nfs/dbraw/zinc/13/14/01/1039131401.db2.gz SYUVJONSQSXROF-PWRODBHTSA-N 1 3 344.543 3.675 20 0 EHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488433318 1039176785 /nfs/dbraw/zinc/17/67/85/1039176785.db2.gz HXDGICFFVLEFDA-AQNXPRMDSA-N 1 3 332.557 3.671 20 0 EHADHO Cc1cnc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898519781 1039193228 /nfs/dbraw/zinc/19/32/28/1039193228.db2.gz RGUDFROGFMFQNQ-QYZOEREBSA-N 1 3 341.524 3.842 20 0 EHADHO Cc1cnc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898519781 1039193235 /nfs/dbraw/zinc/19/32/35/1039193235.db2.gz RGUDFROGFMFQNQ-QYZOEREBSA-N 1 3 341.524 3.842 20 0 EHADHO CN(C)C[C@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549780006 1039847669 /nfs/dbraw/zinc/84/76/69/1039847669.db2.gz RNVSNQFVNVWPQE-MRXNPFEDSA-N 1 3 344.449 3.980 20 0 EHADHO CN(C)C[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549780006 1039847696 /nfs/dbraw/zinc/84/76/96/1039847696.db2.gz RNVSNQFVNVWPQE-MRXNPFEDSA-N 1 3 344.449 3.980 20 0 EHADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479441973 1040233784 /nfs/dbraw/zinc/23/37/84/1040233784.db2.gz BSJZRDBZFOREPR-DWLFOUALSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441973 1040233798 /nfs/dbraw/zinc/23/37/98/1040233798.db2.gz BSJZRDBZFOREPR-DWLFOUALSA-N 1 3 338.495 3.874 20 0 EHADHO COc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479463041 1040261896 /nfs/dbraw/zinc/26/18/96/1040261896.db2.gz HUYMYWWJNPKOCO-RXVVDRJESA-N 1 3 336.479 3.794 20 0 EHADHO COc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463041 1040261918 /nfs/dbraw/zinc/26/19/18/1040261918.db2.gz HUYMYWWJNPKOCO-RXVVDRJESA-N 1 3 336.479 3.794 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@@H](C)C2 ZINC000490121136 1040362873 /nfs/dbraw/zinc/36/28/73/1040362873.db2.gz ZAZMSIIAHZNZGH-JTSKRJEESA-N 1 3 338.495 3.959 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000162862595 1040515005 /nfs/dbraw/zinc/51/50/05/1040515005.db2.gz HMRDLFNNRVMRDV-MKXGPGLRSA-N 1 3 348.531 3.666 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000553886510 1040570942 /nfs/dbraw/zinc/57/09/42/1040570942.db2.gz NTHSELAFUQSQKR-UEXGIBASSA-N 1 3 342.527 3.538 20 0 EHADHO OCc1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000311172198 1040773613 /nfs/dbraw/zinc/77/36/13/1040773613.db2.gz UEOYANLBQUGTLU-JOCHJYFZSA-N 1 3 338.495 3.571 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC/C=C\c2ccncc2)[C@H]1c1cccs1 ZINC000487265495 1040853140 /nfs/dbraw/zinc/85/31/40/1040853140.db2.gz HKHJTDFSQQVXQX-BUNMFVJESA-N 1 3 327.497 3.829 20 0 EHADHO C[N@H+]1CCC[C@H](CNC/C=C\c2ccncc2)[C@H]1c1cccs1 ZINC000487265495 1040853145 /nfs/dbraw/zinc/85/31/45/1040853145.db2.gz HKHJTDFSQQVXQX-BUNMFVJESA-N 1 3 327.497 3.829 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924858519 1041068434 /nfs/dbraw/zinc/06/84/34/1041068434.db2.gz ZJCWWHDMWWLSPW-TZIWHRDSSA-N 1 3 334.548 3.826 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147864 1041093917 /nfs/dbraw/zinc/09/39/17/1041093917.db2.gz ONSBHULYXWJWEB-FXAWDEMLSA-N 1 3 348.494 3.574 20 0 EHADHO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000651726056 1041969168 /nfs/dbraw/zinc/96/91/68/1041969168.db2.gz ZGIAMNZCVWQNLD-IHWFROFDSA-N 1 3 338.499 3.594 20 0 EHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741750 1042603426 /nfs/dbraw/zinc/60/34/26/1042603426.db2.gz MVJGSWJTSVYYKY-RCBQFDQVSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741750 1042603428 /nfs/dbraw/zinc/60/34/28/1042603428.db2.gz MVJGSWJTSVYYKY-RCBQFDQVSA-N 1 3 325.294 3.973 20 0 EHADHO Cc1ccc(-c2cnc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662294717 1042664170 /nfs/dbraw/zinc/66/41/70/1042664170.db2.gz SETZUXMLAQGDNL-LJQANCHMSA-N 1 3 339.483 3.862 20 0 EHADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161569303 1042672410 /nfs/dbraw/zinc/67/24/10/1042672410.db2.gz GMCVJDBBDJPKLK-PBHICJAKSA-N 1 3 341.902 3.546 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663472105 1042902389 /nfs/dbraw/zinc/90/23/89/1042902389.db2.gz YRJNTGODKYEFOM-ZIFCJYIRSA-N 1 3 330.516 3.899 20 0 EHADHO Cc1cc([C@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)ccc1F ZINC000432427106 1043182496 /nfs/dbraw/zinc/18/24/96/1043182496.db2.gz XINQTLIAKUDELX-OXJNMPFZSA-N 1 3 334.479 3.676 20 0 EHADHO Cc1cc([C@H](NCCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)ccc1F ZINC000432427106 1043182515 /nfs/dbraw/zinc/18/25/15/1043182515.db2.gz XINQTLIAKUDELX-OXJNMPFZSA-N 1 3 334.479 3.676 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1(C)C ZINC000623376399 1126936265 /nfs/dbraw/zinc/93/62/65/1126936265.db2.gz RXSUASZNFJLWTC-INIZCTEOSA-N 1 3 343.446 3.975 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486695 1126965589 /nfs/dbraw/zinc/96/55/89/1126965589.db2.gz DCVOMNDATLJTNU-UONOGXRCSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486695 1126965593 /nfs/dbraw/zinc/96/55/93/1126965593.db2.gz DCVOMNDATLJTNU-UONOGXRCSA-N 1 3 339.886 3.520 20 0 EHADHO CN1CC[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537879 1126979671 /nfs/dbraw/zinc/97/96/71/1126979671.db2.gz MBIZJVBFCCKMHE-JKSUJKDBSA-N 1 3 344.421 3.591 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623986859 1127225070 /nfs/dbraw/zinc/22/50/70/1127225070.db2.gz IZQOHJZIFWDUCA-TYPHKJRUSA-N 1 3 330.516 3.836 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121611 1127255721 /nfs/dbraw/zinc/25/57/21/1127255721.db2.gz YXZBQMKGSPDFMU-ZWKOTPCHSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121611 1127255722 /nfs/dbraw/zinc/25/57/22/1127255722.db2.gz YXZBQMKGSPDFMU-ZWKOTPCHSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121611 1127255723 /nfs/dbraw/zinc/25/57/23/1127255723.db2.gz YXZBQMKGSPDFMU-ZWKOTPCHSA-N 1 3 345.531 3.849 20 0 EHADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)ccc1OC(F)F ZINC000624119742 1127255773 /nfs/dbraw/zinc/25/57/73/1127255773.db2.gz IOVBDIPWJWVSLM-KBPBESRZSA-N 1 3 342.430 3.679 20 0 EHADHO CC[C@H](NC1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181417685 1127276193 /nfs/dbraw/zinc/27/61/93/1127276193.db2.gz CMIGBKFFBIPRHJ-HNNXBMFYSA-N 1 3 329.257 3.723 20 0 EHADHO COC[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000182452347 1127330590 /nfs/dbraw/zinc/33/05/90/1127330590.db2.gz JKBORWIMKAFGGI-KXBFYZLASA-N 1 3 340.458 3.754 20 0 EHADHO COC[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000182452347 1127330593 /nfs/dbraw/zinc/33/05/93/1127330593.db2.gz JKBORWIMKAFGGI-KXBFYZLASA-N 1 3 340.458 3.754 20 0 EHADHO COc1ccccc1CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185687930 1127430439 /nfs/dbraw/zinc/43/04/39/1127430439.db2.gz WNHJMGDCJSQNJP-MJGOQNOKSA-N 1 3 330.516 3.870 20 0 EHADHO C[C@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185737004 1127430616 /nfs/dbraw/zinc/43/06/16/1127430616.db2.gz HWGCIUSKWVFQGC-PZJWPPBQSA-N 1 3 344.543 3.878 20 0 EHADHO COc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386072648 1127625555 /nfs/dbraw/zinc/62/55/55/1127625555.db2.gz GHHVIEOJSOUIBM-FPOVZHCZSA-N 1 3 336.479 3.649 20 0 EHADHO COc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386072648 1127625557 /nfs/dbraw/zinc/62/55/57/1127625557.db2.gz GHHVIEOJSOUIBM-FPOVZHCZSA-N 1 3 336.479 3.649 20 0 EHADHO CCc1nc2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000338778911 1128963775 /nfs/dbraw/zinc/96/37/75/1128963775.db2.gz FSHMBKAJEJBNCZ-GOEBONIOSA-N 1 3 326.488 3.506 20 0 EHADHO CCc1nc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000338778911 1128963778 /nfs/dbraw/zinc/96/37/78/1128963778.db2.gz FSHMBKAJEJBNCZ-GOEBONIOSA-N 1 3 326.488 3.506 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125859041 1122349512 /nfs/dbraw/zinc/34/95/12/1122349512.db2.gz YOVHVGRZYHJLMG-HKUYNNGSSA-N 1 3 340.515 3.952 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125859041 1122349522 /nfs/dbraw/zinc/34/95/22/1122349522.db2.gz YOVHVGRZYHJLMG-HKUYNNGSSA-N 1 3 340.515 3.952 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626393 1122811919 /nfs/dbraw/zinc/81/19/19/1122811919.db2.gz MVJGSWJTSVYYKY-WQVCFCJDSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626393 1122811921 /nfs/dbraw/zinc/81/19/21/1122811921.db2.gz MVJGSWJTSVYYKY-WQVCFCJDSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231210 1122893124 /nfs/dbraw/zinc/89/31/24/1122893124.db2.gz DIEZGOUBCZPBRY-LEWJYISDSA-N 1 3 342.527 3.693 20 0 EHADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000131174156 1123056027 /nfs/dbraw/zinc/05/60/27/1123056027.db2.gz CDIYRYPZOAUHEL-HNNXBMFYSA-N 1 3 343.515 3.687 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000236800457 1123468345 /nfs/dbraw/zinc/46/83/45/1123468345.db2.gz XBALDHYZICJVNW-UHFFFAOYSA-N 1 3 343.540 3.612 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000245952034 1123988987 /nfs/dbraw/zinc/98/89/87/1123988987.db2.gz LIBZLKDQRHBIFF-SJORKVTESA-N 1 3 325.500 3.655 20 0 EHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000246594085 1124521821 /nfs/dbraw/zinc/52/18/21/1124521821.db2.gz ZOMUXOFRVRDJMG-RRFJBIMHSA-N 1 3 344.421 3.935 20 0 EHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000246594085 1124521824 /nfs/dbraw/zinc/52/18/24/1124521824.db2.gz ZOMUXOFRVRDJMG-RRFJBIMHSA-N 1 3 344.421 3.935 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000246920369 1124565922 /nfs/dbraw/zinc/56/59/22/1124565922.db2.gz GRYSJHVKSFOPRG-KXBFYZLASA-N 1 3 343.446 3.833 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)[C@@H](C)C1 ZINC000247138714 1124590481 /nfs/dbraw/zinc/59/04/81/1124590481.db2.gz VZSSMELFNALHBV-QFBILLFUSA-N 1 3 346.515 3.837 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247977443 1124632871 /nfs/dbraw/zinc/63/28/71/1124632871.db2.gz HYGMICORLZXQQQ-KBPBESRZSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247977443 1124632872 /nfs/dbraw/zinc/63/28/72/1124632872.db2.gz HYGMICORLZXQQQ-KBPBESRZSA-N 1 3 325.294 3.784 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000248406065 1124658234 /nfs/dbraw/zinc/65/82/34/1124658234.db2.gz RZJWCFNEPGWLPX-DNVJHFABSA-N 1 3 349.522 3.823 20 0 EHADHO CC(C)C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccs1 ZINC000090937033 1124945451 /nfs/dbraw/zinc/94/54/51/1124945451.db2.gz BHYJHGVDDDRCML-KRWDZBQOSA-N 1 3 347.528 3.961 20 0 EHADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436829 1129712176 /nfs/dbraw/zinc/71/21/76/1129712176.db2.gz JMBYTPBKYHMVNP-XMSQKQJNSA-N 1 3 338.470 3.967 20 0 EHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000766045233 1129926736 /nfs/dbraw/zinc/92/67/36/1129926736.db2.gz RGARISVBUMXEHP-LPHOPBHVSA-N 1 3 345.531 3.830 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCCN1CCCC1 ZINC001173072141 1131955374 /nfs/dbraw/zinc/95/53/74/1131955374.db2.gz JWSFSVZLTIFSPX-CQSZACIVSA-N 1 3 330.394 3.592 20 0 EHADHO CN(Cc1ccccc1)C1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173136159 1131977207 /nfs/dbraw/zinc/97/72/07/1131977207.db2.gz DWJDCEOVAOBYLP-SFHVURJKSA-N 1 3 341.524 3.597 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000191608870 1132464672 /nfs/dbraw/zinc/46/46/72/1132464672.db2.gz LKBMRODPLJLDJS-FQEVSTJZSA-N 1 3 349.538 3.919 20 0 EHADHO CCN1CCC([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169239303 1132706835 /nfs/dbraw/zinc/70/68/35/1132706835.db2.gz YFLDZROZNKFGPF-UHFFFAOYSA-N 1 3 349.950 3.626 20 0 EHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169281733 1132714703 /nfs/dbraw/zinc/71/47/03/1132714703.db2.gz LRXHAPXTXTVPKC-NUVZVAJJSA-N 1 3 344.499 3.617 20 0 EHADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(C[NH+](C)C)cc1 ZINC001176292669 1132893535 /nfs/dbraw/zinc/89/35/35/1132893535.db2.gz ZMNOUHYCVJTUQM-UHFFFAOYSA-N 1 3 338.499 3.552 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1cnc2c(C)cccn12 ZINC001177127775 1133030281 /nfs/dbraw/zinc/03/02/81/1133030281.db2.gz NMCSHDKOEMTABQ-UHFFFAOYSA-N 1 3 336.483 3.774 20 0 EHADHO CC1(C)CC([NH2+]C2CCN(CC3CCCC3)CC2)CC(C)(C)N1O ZINC001169982449 1133096449 /nfs/dbraw/zinc/09/64/49/1133096449.db2.gz MYTKURQBRYIJMA-UHFFFAOYSA-N 1 3 337.552 3.641 20 0 EHADHO CC[C@H]([NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)[C@@H](C)O ZINC001181754338 1133522024 /nfs/dbraw/zinc/52/20/24/1133522024.db2.gz ZPXPRKYCSOIYRE-LMNJBCLMSA-N 1 3 332.532 3.674 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774988295 1134177993 /nfs/dbraw/zinc/17/79/93/1134177993.db2.gz ZFULOGGBGOKZPC-CQSZACIVSA-N 1 3 325.294 3.579 20 0 EHADHO Cc1c(C[NH2+]CC(C)(C)CN2CCCC2)sc2nc(C)nc(C)c12 ZINC000791011689 1134496354 /nfs/dbraw/zinc/49/63/54/1134496354.db2.gz XKRVLPOYFPKBQP-UHFFFAOYSA-N 1 3 346.544 3.828 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc1CN1CCCCC1 ZINC000775391562 1134709225 /nfs/dbraw/zinc/70/92/25/1134709225.db2.gz DDIMCQYYZLFBAO-SCTDSRPQSA-N 1 3 346.515 3.757 20 0 EHADHO Cc1cc(Br)ccc1C[NH2+]C1CCN(CC(C)C)CC1 ZINC001199144603 1135882656 /nfs/dbraw/zinc/88/26/56/1135882656.db2.gz TYVQPLYKZYKMTD-UHFFFAOYSA-N 1 3 339.321 3.968 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2nccc3c2CCCC3)C1 ZINC001199321361 1135897533 /nfs/dbraw/zinc/89/75/33/1135897533.db2.gz WJTQVJUHNUIBJS-HDICACEKSA-N 1 3 329.532 3.808 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2nccc3c2CCCC3)C1 ZINC001199321361 1135897538 /nfs/dbraw/zinc/89/75/38/1135897538.db2.gz WJTQVJUHNUIBJS-HDICACEKSA-N 1 3 329.532 3.808 20 0 EHADHO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001199328631 1135898127 /nfs/dbraw/zinc/89/81/27/1135898127.db2.gz CCJIUHBAPUNLHR-KNQAVFIVSA-N 1 3 343.559 3.883 20 0 EHADHO C[C@H](C[NH2+]CC(C)(C)CN(C)Cc1ccccc1)N1CCC(C)CC1 ZINC001199851427 1135932515 /nfs/dbraw/zinc/93/25/15/1135932515.db2.gz PCYGRJYJZPNWRX-HXUWFJFHSA-N 1 3 345.575 3.855 20 0 EHADHO COCc1cc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)ccc1OC ZINC000121589523 1136037002 /nfs/dbraw/zinc/03/70/02/1136037002.db2.gz VIWVFFWAQBPJGA-IRXDYDNUSA-N 1 3 334.504 3.614 20 0 EHADHO CN(C)CC1(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCC1 ZINC001201929584 1136072768 /nfs/dbraw/zinc/07/27/68/1136072768.db2.gz OIISVZNITXSCDT-UHFFFAOYSA-N 1 3 346.515 3.854 20 0 EHADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](CCCC(F)(F)F)C[C@@H]3C2)cc1 ZINC001202394829 1136141335 /nfs/dbraw/zinc/14/13/35/1136141335.db2.gz JZWHRBZVKCQHHZ-CALCHBBNSA-N 1 3 326.406 3.701 20 0 EHADHO Cc1ccc(CN2C[C@@H]3C[N@H+](CCCC(F)(F)F)C[C@@H]3C2)cc1 ZINC001202394829 1136141337 /nfs/dbraw/zinc/14/13/37/1136141337.db2.gz JZWHRBZVKCQHHZ-CALCHBBNSA-N 1 3 326.406 3.701 20 0 EHADHO Fc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)c(F)c1F ZINC000850178899 1136217421 /nfs/dbraw/zinc/21/74/21/1136217421.db2.gz MYWFKQNNOUDUNN-UHFFFAOYSA-N 1 3 326.406 3.991 20 0 EHADHO c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)nc1 ZINC000850542509 1136282714 /nfs/dbraw/zinc/28/27/14/1136282714.db2.gz PYRFVVQEKKMTDS-DYESRHJHSA-N 1 3 327.516 3.789 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000854231413 1136600114 /nfs/dbraw/zinc/60/01/14/1136600114.db2.gz HLLPIBUDQCKJEA-ZIAGYGMSSA-N 1 3 325.456 3.586 20 0 EHADHO C[C@H](NCCCN1c2ccccc2Sc2ccccc21)C1C[NH2+]C1 ZINC000817911082 1136845907 /nfs/dbraw/zinc/84/59/07/1136845907.db2.gz GMXIPJWXBWIKNK-HNNXBMFYSA-N 1 3 339.508 3.877 20 0 EHADHO Cc1cc(F)ccc1[C@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000818943289 1136893790 /nfs/dbraw/zinc/89/37/90/1136893790.db2.gz QFKSVQLBVTXXMF-OAQYLSRUSA-N 1 3 342.458 3.553 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858499 1136914504 /nfs/dbraw/zinc/91/45/04/1136914504.db2.gz NRONLRXBEVRMPT-POAQFYNOSA-N 1 3 338.499 3.677 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858499 1136914507 /nfs/dbraw/zinc/91/45/07/1136914507.db2.gz NRONLRXBEVRMPT-POAQFYNOSA-N 1 3 338.499 3.677 20 0 EHADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001136279883 1136966272 /nfs/dbraw/zinc/96/62/72/1136966272.db2.gz VPGUJCGJJGMGQW-HXUWFJFHSA-N 1 3 343.515 3.730 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490199 1136972513 /nfs/dbraw/zinc/97/25/13/1136972513.db2.gz CVKXEJSTEWWDNW-NEPJUHHUSA-N 1 3 330.303 3.958 20 0 EHADHO C[C@H]1CC([NH2+]CCCc2ccc(Br)cc2)C[C@H](C)N1 ZINC001246079646 1136993789 /nfs/dbraw/zinc/99/37/89/1136993789.db2.gz DNTZPHAVLZAUQK-STQMWFEESA-N 1 3 325.294 3.500 20 0 EHADHO COCc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1F ZINC000820810725 1137005026 /nfs/dbraw/zinc/00/50/26/1137005026.db2.gz CUYKRRRNDAUYQH-HNNXBMFYSA-N 1 3 330.447 3.885 20 0 EHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001170968245 1137032627 /nfs/dbraw/zinc/03/26/27/1137032627.db2.gz CEXWSDLYXLGDPY-IBGZPJMESA-N 1 3 330.491 3.927 20 0 EHADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCCC3)CC1)CC2 ZINC001170968245 1137032628 /nfs/dbraw/zinc/03/26/28/1137032628.db2.gz CEXWSDLYXLGDPY-IBGZPJMESA-N 1 3 330.491 3.927 20 0 EHADHO CC(C)CC[NH+]1CCC(CNCc2ccnc(Cl)c2F)CC1 ZINC000823965839 1137119607 /nfs/dbraw/zinc/11/96/07/1137119607.db2.gz CIZKLNOKORILFT-UHFFFAOYSA-N 1 3 327.875 3.722 20 0 EHADHO Cc1c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccnc1F ZINC000862299622 1137137686 /nfs/dbraw/zinc/13/76/86/1137137686.db2.gz DRQAKKGBXPKPGQ-VQIMIIECSA-N 1 3 327.447 3.529 20 0 EHADHO CC1(C)C[C@H]([NH2+]Cc2cnc3ccccn23)CCN1Cc1ccccc1 ZINC001171962478 1137520017 /nfs/dbraw/zinc/52/00/17/1137520017.db2.gz DRDOQLDUYSHOSV-LJQANCHMSA-N 1 3 348.494 3.867 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001171967644 1137520619 /nfs/dbraw/zinc/52/06/19/1137520619.db2.gz PADYUHRDIDYGMS-BMFZPTHFSA-N 1 3 326.406 3.520 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001171967644 1137520620 /nfs/dbraw/zinc/52/06/20/1137520620.db2.gz PADYUHRDIDYGMS-BMFZPTHFSA-N 1 3 326.406 3.520 20 0 EHADHO CCN1CC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991493 1137522904 /nfs/dbraw/zinc/52/29/04/1137522904.db2.gz YOVDTSZAQCZWCY-HXUWFJFHSA-N 1 3 343.559 3.846 20 0 EHADHO CCN1CC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991493 1137522905 /nfs/dbraw/zinc/52/29/05/1137522905.db2.gz YOVDTSZAQCZWCY-HXUWFJFHSA-N 1 3 343.559 3.846 20 0 EHADHO COc1cncc(C[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974718 1137524934 /nfs/dbraw/zinc/52/49/34/1137524934.db2.gz IVWQOGTVVIOZLL-IBGZPJMESA-N 1 3 339.483 3.623 20 0 EHADHO CN([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090688 1137532061 /nfs/dbraw/zinc/53/20/61/1137532061.db2.gz WBKDTTBLHFNVFM-PLACYPQZSA-N 1 3 328.500 3.683 20 0 EHADHO CN([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090688 1137532063 /nfs/dbraw/zinc/53/20/63/1137532063.db2.gz WBKDTTBLHFNVFM-PLACYPQZSA-N 1 3 328.500 3.683 20 0 EHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172337615 1137551803 /nfs/dbraw/zinc/55/18/03/1137551803.db2.gz WYGIHPQYYBQNPT-IRXDYDNUSA-N 1 3 336.495 3.755 20 0 EHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172337614 1137551880 /nfs/dbraw/zinc/55/18/80/1137551880.db2.gz WYGIHPQYYBQNPT-IAGOWNOFSA-N 1 3 336.495 3.755 20 0 EHADHO COc1cccc(CC2(N)CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)c1 ZINC001172368497 1137554933 /nfs/dbraw/zinc/55/49/33/1137554933.db2.gz ISTWOMIPBAHNHV-ZHALLVOQSA-N 1 3 330.516 3.856 20 0 EHADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031561 1137566456 /nfs/dbraw/zinc/56/64/56/1137566456.db2.gz KLCFQORGFKTVMK-SFTDATJTSA-N 1 3 342.527 3.632 20 0 EHADHO CC(C)C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1 ZINC000873247460 1137595335 /nfs/dbraw/zinc/59/53/35/1137595335.db2.gz NAVGUJHCZHOMRY-OAQYLSRUSA-N 1 3 349.482 3.603 20 0 EHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000125882405 1137649539 /nfs/dbraw/zinc/64/95/39/1137649539.db2.gz QRRAYNPGXURMOI-YJBOKZPZSA-N 1 3 347.503 3.660 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cnc4c(F)cccc4c3)CC2)CC1 ZINC000877684253 1137685704 /nfs/dbraw/zinc/68/57/04/1137685704.db2.gz RUFNGVFRFJJEGH-UHFFFAOYSA-N 1 3 327.447 3.682 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706678 /nfs/dbraw/zinc/70/66/78/1137706678.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 1 3 328.500 3.713 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706679 /nfs/dbraw/zinc/70/66/79/1137706679.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706680 /nfs/dbraw/zinc/70/66/80/1137706680.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196971 1137706681 /nfs/dbraw/zinc/70/66/81/1137706681.db2.gz KIOQHUXRFLUWTL-IVAOSVALSA-N 1 3 328.500 3.713 20 0 EHADHO C[C@@H](CN[C@@H](c1ccc(F)cc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000883174562 1137847256 /nfs/dbraw/zinc/84/72/56/1137847256.db2.gz NDWNCRKLPLXATQ-JXFKEZNVSA-N 1 3 334.479 3.615 20 0 EHADHO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000883320386 1137854753 /nfs/dbraw/zinc/85/47/53/1137854753.db2.gz JVOGWOCGSWNZRS-HLIPFELVSA-N 1 3 346.515 3.757 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000885924621 1138025271 /nfs/dbraw/zinc/02/52/71/1138025271.db2.gz RQYRCOUFMACTAK-IYBDPMFKSA-N 1 3 340.515 3.794 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000885924621 1138025274 /nfs/dbraw/zinc/02/52/74/1138025274.db2.gz RQYRCOUFMACTAK-IYBDPMFKSA-N 1 3 340.515 3.794 20 0 EHADHO Cn1c2ccc(F)cc2nc1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886547980 1138094272 /nfs/dbraw/zinc/09/42/72/1138094272.db2.gz VNPNWLFTDRMQHE-UHFFFAOYSA-N 1 3 344.478 3.599 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886587900 1138099999 /nfs/dbraw/zinc/09/99/99/1138099999.db2.gz IALSKOJWVRFCGC-MPAQAYSTSA-N 1 3 342.527 3.834 20 0 EHADHO CCc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000093301917 1138235726 /nfs/dbraw/zinc/23/57/26/1138235726.db2.gz QLPVNFXQHXRXMP-KRWDZBQOSA-N 1 3 340.515 3.720 20 0 EHADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337392805 1138554561 /nfs/dbraw/zinc/55/45/61/1138554561.db2.gz LVPMOFDNWJJXID-NRFANRHFSA-N 1 3 341.543 3.507 20 0 EHADHO C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000152237392 1139080711 /nfs/dbraw/zinc/08/07/11/1139080711.db2.gz BENMWSGBPBIEHE-DNVCBOLYSA-N 1 3 328.456 3.948 20 0 EHADHO C[C@@H](O)c1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178547876 1139703441 /nfs/dbraw/zinc/70/34/41/1139703441.db2.gz RVJULXUZKDHKNR-DLBZAZTESA-N 1 3 342.483 3.531 20 0 EHADHO CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155572 1140016812 /nfs/dbraw/zinc/01/68/12/1140016812.db2.gz XGWPKTBSLCFYLG-TUFLPTIASA-N 1 3 342.527 3.834 20 0 EHADHO CCSc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000185582690 1140156886 /nfs/dbraw/zinc/15/68/86/1140156886.db2.gz UECMBCXVBKWBGA-VQTJNVASSA-N 1 3 348.556 3.656 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000192747441 1140548867 /nfs/dbraw/zinc/54/88/67/1140548867.db2.gz IAVYMJOWGVLRRE-GHTZIAJQSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000192747441 1140548877 /nfs/dbraw/zinc/54/88/77/1140548877.db2.gz IAVYMJOWGVLRRE-GHTZIAJQSA-N 1 3 347.522 3.625 20 0 EHADHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC000268933439 1141028627 /nfs/dbraw/zinc/02/86/27/1141028627.db2.gz NFTFBPJFMHRJKB-PAMCTJKJSA-N 1 3 341.543 3.644 20 0 EHADHO Cc1cc([C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C2CC2)ccc1F ZINC000283205840 1141572700 /nfs/dbraw/zinc/57/27/00/1141572700.db2.gz GRVUXGCXIVUOJQ-OAQYLSRUSA-N 1 3 347.522 3.591 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000153384489 1125478869 /nfs/dbraw/zinc/47/88/69/1125478869.db2.gz CKFMTBGBPVIMCC-UXPWSPDFSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000153384489 1125478872 /nfs/dbraw/zinc/47/88/72/1125478872.db2.gz CKFMTBGBPVIMCC-UXPWSPDFSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000153384489 1125478874 /nfs/dbraw/zinc/47/88/74/1125478874.db2.gz CKFMTBGBPVIMCC-UXPWSPDFSA-N 1 3 349.950 3.797 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc(C)c1F ZINC000537971896 1032071726 /nfs/dbraw/zinc/07/17/26/1032071726.db2.gz LPBHCTZXZHICDK-BZSNNMDCSA-N 1 3 336.495 3.983 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1CN1CCCCC1 ZINC000182975661 1032153966 /nfs/dbraw/zinc/15/39/66/1032153966.db2.gz OQZGTNOAJJENML-ZRRCRCOKSA-N 1 3 344.499 3.652 20 0 EHADHO Fc1cc(Br)cc(C[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000449098895 1032177720 /nfs/dbraw/zinc/17/77/20/1032177720.db2.gz RTVSDUOHAHICQU-UHFFFAOYSA-N 1 3 341.268 3.695 20 0 EHADHO CC[N@@H+](Cc1ccc2[nH]cnc2c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536708981 1032187001 /nfs/dbraw/zinc/18/70/01/1032187001.db2.gz GDAPNRQXFHKVRP-HXUWFJFHSA-N 1 3 348.494 3.907 20 0 EHADHO CC[N@H+](Cc1ccc2[nH]cnc2c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536708981 1032187006 /nfs/dbraw/zinc/18/70/06/1032187006.db2.gz GDAPNRQXFHKVRP-HXUWFJFHSA-N 1 3 348.494 3.907 20 0 EHADHO CC[N@@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536708981 1032187016 /nfs/dbraw/zinc/18/70/16/1032187016.db2.gz GDAPNRQXFHKVRP-HXUWFJFHSA-N 1 3 348.494 3.907 20 0 EHADHO CC[N@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536708981 1032187023 /nfs/dbraw/zinc/18/70/23/1032187023.db2.gz GDAPNRQXFHKVRP-HXUWFJFHSA-N 1 3 348.494 3.907 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000449192082 1032287469 /nfs/dbraw/zinc/28/74/69/1032287469.db2.gz QKVUJDZESPXTRI-KRWDZBQOSA-N 1 3 332.536 3.536 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000449342129 1032457366 /nfs/dbraw/zinc/45/73/66/1032457366.db2.gz ZEOHGTNERLDNEG-SJORKVTESA-N 1 3 339.483 3.533 20 0 EHADHO CCOc1cccc(CNCC[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000459744892 1032458843 /nfs/dbraw/zinc/45/88/43/1032458843.db2.gz YFUGLNFPNOKWSW-AWEZNQCLSA-N 1 3 342.430 3.508 20 0 EHADHO CCOc1cccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000459744892 1032458846 /nfs/dbraw/zinc/45/88/46/1032458846.db2.gz YFUGLNFPNOKWSW-AWEZNQCLSA-N 1 3 342.430 3.508 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090522474 1032584135 /nfs/dbraw/zinc/58/41/35/1032584135.db2.gz VLGCSTLFWILJAW-CFVMTHIKSA-N 1 3 342.936 3.820 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000158842086 1032649757 /nfs/dbraw/zinc/64/97/57/1032649757.db2.gz LGFCLAYZTGGNPA-UTKZUKDTSA-N 1 3 348.506 3.836 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000158842086 1032649769 /nfs/dbraw/zinc/64/97/69/1032649769.db2.gz LGFCLAYZTGGNPA-UTKZUKDTSA-N 1 3 348.506 3.836 20 0 EHADHO C[C@H]1C[NH+](CCCCNCc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000237667371 1017118589 /nfs/dbraw/zinc/11/85/89/1017118589.db2.gz FHDLNFUVGGIWJV-KBPBESRZSA-N 1 3 345.314 3.972 20 0 EHADHO CC[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000163677475 1017354354 /nfs/dbraw/zinc/35/43/54/1017354354.db2.gz NADMPWWKKLSAOU-OXQOHEQNSA-N 1 3 327.472 3.824 20 0 EHADHO CCc1c2ccccc2oc1[C@@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655705221 1017422990 /nfs/dbraw/zinc/42/29/90/1017422990.db2.gz ZZMBUVPDVCTPQX-NVXWUHKLSA-N 1 3 342.483 3.899 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000415048175 1017457729 /nfs/dbraw/zinc/45/77/29/1017457729.db2.gz FUROWFADJGJPML-QGZVFWFLSA-N 1 3 338.480 3.775 20 0 EHADHO C[NH+](C)CCCCNCc1oc2ccccc2c1Br ZINC000655721284 1017460439 /nfs/dbraw/zinc/46/04/39/1017460439.db2.gz MKDYSLVVMQKARI-UHFFFAOYSA-N 1 3 325.250 3.627 20 0 EHADHO FC(F)Oc1cccc(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000683707172 1018091913 /nfs/dbraw/zinc/09/19/13/1018091913.db2.gz XNYGNZOBMSHSGZ-UHFFFAOYSA-N 1 3 344.833 3.905 20 0 EHADHO COc1ccc(-c2ccncc2)cc1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000580301723 1018944325 /nfs/dbraw/zinc/94/43/25/1018944325.db2.gz KFSOJSJENOXSBB-QINHECLXSA-N 1 3 339.483 3.562 20 0 EHADHO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000580471661 1019425774 /nfs/dbraw/zinc/42/57/74/1019425774.db2.gz BCDJVYOTXDAPMZ-SBHAEUEKSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000580471660 1019426141 /nfs/dbraw/zinc/42/61/41/1019426141.db2.gz BCDJVYOTXDAPMZ-DYXWJJEUSA-N 1 3 329.532 3.504 20 0 EHADHO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000433630146 1019469383 /nfs/dbraw/zinc/46/93/83/1019469383.db2.gz DGQYUPYISPVFJZ-QMCAAQAGSA-N 1 3 342.527 3.548 20 0 EHADHO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000433630144 1019470266 /nfs/dbraw/zinc/47/02/66/1019470266.db2.gz DGQYUPYISPVFJZ-CDJZJNNCSA-N 1 3 342.527 3.548 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2cn3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000513544435 1019808814 /nfs/dbraw/zinc/80/88/14/1019808814.db2.gz HYDRJLGBSYHFFR-QUCCMNQESA-N 1 3 348.494 3.725 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544435 1019808834 /nfs/dbraw/zinc/80/88/34/1019808834.db2.gz HYDRJLGBSYHFFR-QUCCMNQESA-N 1 3 348.494 3.725 20 0 EHADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430550992 1020641209 /nfs/dbraw/zinc/64/12/09/1020641209.db2.gz HIQXLFIEWKYORH-OAQYLSRUSA-N 1 3 339.483 3.645 20 0 EHADHO Cc1ccc(CC[N@@H+](CC[C@@H]2CCCN2C)C[C@H]2CCCO2)cc1 ZINC001167461849 1020906525 /nfs/dbraw/zinc/90/65/25/1020906525.db2.gz UAQGSWGZRHYZNV-LEWJYISDSA-N 1 3 330.516 3.503 20 0 EHADHO Cc1ccc(CC[N@H+](CC[C@@H]2CCCN2C)C[C@H]2CCCO2)cc1 ZINC001167461849 1020906526 /nfs/dbraw/zinc/90/65/26/1020906526.db2.gz UAQGSWGZRHYZNV-LEWJYISDSA-N 1 3 330.516 3.503 20 0 EHADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246583 1021179798 /nfs/dbraw/zinc/17/97/98/1021179798.db2.gz KNDIMZLFYUCYPY-IGCXYCKISA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246583 1021179800 /nfs/dbraw/zinc/17/98/00/1021179800.db2.gz KNDIMZLFYUCYPY-IGCXYCKISA-N 1 3 337.305 3.899 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1O ZINC000426366718 1021390877 /nfs/dbraw/zinc/39/08/77/1021390877.db2.gz QSUAYCRLGXTFOF-IRXDYDNUSA-N 1 3 334.504 3.576 20 0 EHADHO CCOC[C@@]12CCC[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167987740 1021563676 /nfs/dbraw/zinc/56/36/76/1021563676.db2.gz MTQHOEHSACBLGA-BKUVARHGSA-N 1 3 332.532 3.530 20 0 EHADHO CCOC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167987740 1021563688 /nfs/dbraw/zinc/56/36/88/1021563688.db2.gz MTQHOEHSACBLGA-BKUVARHGSA-N 1 3 332.532 3.530 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899035 1021595430 /nfs/dbraw/zinc/59/54/30/1021595430.db2.gz CBHCOTKJZRFVPB-KDOFPFPSSA-N 1 3 326.431 3.588 20 0 EHADHO CC[C@@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368385 1021868614 /nfs/dbraw/zinc/86/86/14/1021868614.db2.gz MSUZAHPWLSELFV-UEXGIBASSA-N 1 3 330.516 3.959 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cc(F)ccc3o2)C[C@@H](C)O1 ZINC000343798922 1033022052 /nfs/dbraw/zinc/02/20/52/1033022052.db2.gz YXOGWJZYOGZXEW-HUUCEWRRSA-N 1 3 334.435 3.551 20 0 EHADHO CN1CCN(CC[NH2+]Cc2cc(-c3ccccc3)cs2)CC1(C)C ZINC000441330443 1022165442 /nfs/dbraw/zinc/16/54/42/1022165442.db2.gz GPYOYGYNNRUPTG-UHFFFAOYSA-N 1 3 343.540 3.531 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156519198 1022507472 /nfs/dbraw/zinc/50/74/72/1022507472.db2.gz OAODXDQZPJBJGB-BFQNTYOBSA-N 1 3 330.394 3.532 20 0 EHADHO Cc1ccccc1[C@H](C)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993859 1022609735 /nfs/dbraw/zinc/60/97/35/1022609735.db2.gz MXCNAICPCCSKEB-UGKGYDQZSA-N 1 3 338.495 3.625 20 0 EHADHO Cc1ccccc1[C@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993859 1022609745 /nfs/dbraw/zinc/60/97/45/1022609745.db2.gz MXCNAICPCCSKEB-UGKGYDQZSA-N 1 3 338.495 3.625 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414940879 1022910058 /nfs/dbraw/zinc/91/00/58/1022910058.db2.gz KVINJLYUDWAPHO-VDNDLQMASA-N 1 3 326.406 3.929 20 0 EHADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)c(OC(F)F)cc1C ZINC000506864299 1022955033 /nfs/dbraw/zinc/95/50/33/1022955033.db2.gz ISCDZDQWTIUPHH-UHFFFAOYSA-N 1 3 326.431 3.678 20 0 EHADHO C[C@@H]1CNCC[C@H]1[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414948386 1022974447 /nfs/dbraw/zinc/97/44/47/1022974447.db2.gz XYHMERJTIFGCLM-JLTOFOAXSA-N 1 3 330.422 3.684 20 0 EHADHO FC(F)(F)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000506942560 1023015536 /nfs/dbraw/zinc/01/55/36/1023015536.db2.gz JZLBSCZBQWUYNK-UHFFFAOYSA-N 1 3 342.405 3.893 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000506929143 1023019765 /nfs/dbraw/zinc/01/97/65/1023019765.db2.gz LMHZHDARVWVERP-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000506929143 1023019776 /nfs/dbraw/zinc/01/97/76/1023019776.db2.gz LMHZHDARVWVERP-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)c1cccc(Br)c1 ZINC000414982164 1023275138 /nfs/dbraw/zinc/27/51/38/1023275138.db2.gz YNVXFSZHKOFHGX-SWLSCSKDSA-N 1 3 325.294 3.530 20 0 EHADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000093337009 1023475542 /nfs/dbraw/zinc/47/55/42/1023475542.db2.gz OYHWDHMFEZFAHN-IBGZPJMESA-N 1 3 342.458 3.788 20 0 EHADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000093337009 1023475552 /nfs/dbraw/zinc/47/55/52/1023475552.db2.gz OYHWDHMFEZFAHN-IBGZPJMESA-N 1 3 342.458 3.788 20 0 EHADHO C[C@@H]1CC2(CC([NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)CO1 ZINC000897773122 1033160296 /nfs/dbraw/zinc/16/02/96/1033160296.db2.gz GOWHRVMHVTWCFN-NLJWPOBXSA-N 1 3 340.511 3.587 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657878800 1033160860 /nfs/dbraw/zinc/16/08/60/1033160860.db2.gz HNLWEAUHUFXMCT-GOSISDBHSA-N 1 3 348.918 3.853 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2CN(C)C)cc1 ZINC000487437717 1024348442 /nfs/dbraw/zinc/34/84/42/1024348442.db2.gz JBIVXEHTHDHYPT-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414861270 1024533892 /nfs/dbraw/zinc/53/38/92/1024533892.db2.gz WIWDWIICJYQBDW-ZACQAIPSSA-N 1 3 331.504 3.505 20 0 EHADHO CCN(Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435382333 1024866193 /nfs/dbraw/zinc/86/61/93/1024866193.db2.gz YWZZWOGJFAEPCD-HXUWFJFHSA-N 1 3 339.483 3.625 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCc3cc(N)ccc32)CC1 ZINC000665270942 1025139774 /nfs/dbraw/zinc/13/97/74/1025139774.db2.gz DALNAITYYDQSSN-SBUREZEXSA-N 1 3 349.522 3.941 20 0 EHADHO Clc1cc2cccnc2c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347059620 1025455378 /nfs/dbraw/zinc/45/53/78/1025455378.db2.gz XLKVYZQSLAPWCN-GOSISDBHSA-N 1 3 329.875 3.852 20 0 EHADHO Clc1cc2cccnc2c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347059622 1025455418 /nfs/dbraw/zinc/45/54/18/1025455418.db2.gz XLKVYZQSLAPWCN-SFHVURJKSA-N 1 3 329.875 3.852 20 0 EHADHO CN1CCC[C@H]1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425501430 1025510890 /nfs/dbraw/zinc/51/08/90/1025510890.db2.gz FUZPCGVMERIYNA-INIZCTEOSA-N 1 3 333.545 3.686 20 0 EHADHO CCN1CCC([N@H+](C)C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168050926 1025737911 /nfs/dbraw/zinc/73/79/11/1025737911.db2.gz DGDRWQCMQUOXGD-RTBURBONSA-N 1 3 343.559 3.844 20 0 EHADHO CCN1CCC([N@@H+](C)C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168050926 1025737929 /nfs/dbraw/zinc/73/79/29/1025737929.db2.gz DGDRWQCMQUOXGD-RTBURBONSA-N 1 3 343.559 3.844 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000530701397 1026229651 /nfs/dbraw/zinc/22/96/51/1026229651.db2.gz VJZXATAZSYGIJN-FMNOIEFDSA-N 1 3 342.527 3.911 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000530939609 1026421195 /nfs/dbraw/zinc/42/11/95/1026421195.db2.gz DUXGKIRBOVJMCJ-IAGOWNOFSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000530939609 1026421202 /nfs/dbraw/zinc/42/12/02/1026421202.db2.gz DUXGKIRBOVJMCJ-IAGOWNOFSA-N 1 3 334.479 3.537 20 0 EHADHO CC(C)N1CCCC[C@@H]1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452122632 1026492364 /nfs/dbraw/zinc/49/23/64/1026492364.db2.gz VFYQKNSVGRKVEY-QGZVFWFLSA-N 1 3 349.485 3.598 20 0 EHADHO CC(C)N1CCCC[C@@H]1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452122632 1026492369 /nfs/dbraw/zinc/49/23/69/1026492369.db2.gz VFYQKNSVGRKVEY-QGZVFWFLSA-N 1 3 349.485 3.598 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000531391433 1026883438 /nfs/dbraw/zinc/88/34/38/1026883438.db2.gz BIHZHTZPOISNBQ-LPHOPBHVSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531391433 1026883447 /nfs/dbraw/zinc/88/34/47/1026883447.db2.gz BIHZHTZPOISNBQ-LPHOPBHVSA-N 1 3 334.467 3.563 20 0 EHADHO Cc1ccc2nccc(NC3CC[NH+](CCOC(C)C)CC3)c2c1 ZINC000302158595 1027074296 /nfs/dbraw/zinc/07/42/96/1027074296.db2.gz NXAMQVZJEYPOEL-UHFFFAOYSA-N 1 3 327.472 3.845 20 0 EHADHO CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453096559 1027360345 /nfs/dbraw/zinc/36/03/45/1027360345.db2.gz UBDXIZZGGXZVQT-BHDDXSALSA-N 1 3 341.543 3.504 20 0 EHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000420341013 1027473037 /nfs/dbraw/zinc/47/30/37/1027473037.db2.gz NLUNGMZVZWIJIQ-HXUWFJFHSA-N 1 3 328.500 3.778 20 0 EHADHO c1ccc(Oc2cccnc2)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420340177 1027474356 /nfs/dbraw/zinc/47/43/56/1027474356.db2.gz SBZDGBIXPNVWPF-FQEVSTJZSA-N 1 3 337.467 3.838 20 0 EHADHO C[C@@H]1C[C@H](C[NH3+])CN1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414667342 1027779441 /nfs/dbraw/zinc/77/94/41/1027779441.db2.gz YIXYMMIEZTYJDX-CZBMUTHLSA-N 1 3 336.479 3.948 20 0 EHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701252 1027860707 /nfs/dbraw/zinc/86/07/07/1027860707.db2.gz IDQIVKFBYIBGST-CZUORRHYSA-N 1 3 326.406 3.844 20 0 EHADHO c1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422747225 1027914953 /nfs/dbraw/zinc/91/49/53/1027914953.db2.gz PNLGODHGBPLQMT-OYNPSCLESA-N 1 3 327.516 3.556 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCCCCC1 ZINC000422755245 1027922519 /nfs/dbraw/zinc/92/25/19/1027922519.db2.gz GMONKABZMZSLLI-FPOVZHCZSA-N 1 3 344.499 3.571 20 0 EHADHO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775640 1027932597 /nfs/dbraw/zinc/93/25/97/1027932597.db2.gz AYDKFEFXGHUCHB-CABCVRRESA-N 1 3 327.472 3.702 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCO[C@@H](C)c1ccccc1 ZINC000422779704 1027935942 /nfs/dbraw/zinc/93/59/42/1027935942.db2.gz GJHCKKFIEPJUFB-BBTUJRGHSA-N 1 3 326.484 3.702 20 0 EHADHO COc1ccc2cc(CN[C@H](C)c3ccc(C[NH3+])nc3C)ccc2c1 ZINC000422799145 1027951493 /nfs/dbraw/zinc/95/14/93/1027951493.db2.gz VKLWENIEULCZJJ-CQSZACIVSA-N 1 3 335.451 3.861 20 0 EHADHO c1ccc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422803571 1027953298 /nfs/dbraw/zinc/95/32/98/1027953298.db2.gz JFVAEJJZGWFTFG-BAGYTPMASA-N 1 3 334.463 3.983 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422861483 1027997781 /nfs/dbraw/zinc/99/77/81/1027997781.db2.gz MTAUBPVNBUBRHH-PGRDOPGGSA-N 1 3 338.495 3.881 20 0 EHADHO COc1ccc(C[C@H]2CCCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000444589938 1028050147 /nfs/dbraw/zinc/05/01/47/1028050147.db2.gz AGRHWRZBTJPXGV-HXUWFJFHSA-N 1 3 330.516 3.826 20 0 EHADHO C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422925103 1028056275 /nfs/dbraw/zinc/05/62/75/1028056275.db2.gz VCCSOALJUFJECU-PECOVMHTSA-N 1 3 348.918 3.784 20 0 EHADHO Cn1cc(-c2cccc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)cn1 ZINC000422968596 1028081842 /nfs/dbraw/zinc/08/18/42/1028081842.db2.gz XGJPEGUWOUYZIC-VXKWHMMOSA-N 1 3 346.478 3.670 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422948190 1028085426 /nfs/dbraw/zinc/08/54/26/1028085426.db2.gz QVTMLDPAVKDWMF-SJORKVTESA-N 1 3 338.904 3.834 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423013802 1028125259 /nfs/dbraw/zinc/12/52/59/1028125259.db2.gz GUUHMDIVMCXEHW-BKTGTZMESA-N 1 3 345.874 3.683 20 0 EHADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000502366554 1028146919 /nfs/dbraw/zinc/14/69/19/1028146919.db2.gz AWWKYRBQPANSDS-QHAWAJNXSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423054121 1028165159 /nfs/dbraw/zinc/16/51/59/1028165159.db2.gz SYQOQMAXMXEJFW-ZDUSSCGKSA-N 1 3 333.426 3.800 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423053947 1028166714 /nfs/dbraw/zinc/16/67/14/1028166714.db2.gz TXILUAPWZYUYOU-ZBFHGGJFSA-N 1 3 336.277 3.680 20 0 EHADHO COc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000423120543 1028187639 /nfs/dbraw/zinc/18/76/39/1028187639.db2.gz GZOININUIDNTHT-ZIAGYGMSSA-N 1 3 343.471 3.586 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423130292 1028194951 /nfs/dbraw/zinc/19/49/51/1028194951.db2.gz GOIDDBGSKVCTIA-MNOVXSKESA-N 1 3 345.712 3.850 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000423182813 1028229967 /nfs/dbraw/zinc/22/99/67/1028229967.db2.gz FPCKOGAHBSZFEU-AWEZNQCLSA-N 1 3 335.398 3.514 20 0 EHADHO COC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423159905 1028235008 /nfs/dbraw/zinc/23/50/08/1028235008.db2.gz YSRDVAWHSRCWSH-XJKSGUPXSA-N 1 3 347.890 3.583 20 0 EHADHO COc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1C ZINC000161783648 1028302900 /nfs/dbraw/zinc/30/29/00/1028302900.db2.gz HANBZAKTUXSGTL-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO CC(C)(N)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423288766 1028326973 /nfs/dbraw/zinc/32/69/73/1028326973.db2.gz UWDHHUYBKLVBFI-CQSZACIVSA-N 1 3 336.277 3.635 20 0 EHADHO COCCc1nc(C)c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000423291230 1028328721 /nfs/dbraw/zinc/32/87/21/1028328721.db2.gz HKUPEHPADVMWMY-CHWSQXEVSA-N 1 3 333.501 3.511 20 0 EHADHO COc1cc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000423294950 1028350937 /nfs/dbraw/zinc/35/09/37/1028350937.db2.gz VTTOUCUTOXMZDB-ZIAGYGMSSA-N 1 3 344.455 3.583 20 0 EHADHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC1 ZINC000423328011 1028365472 /nfs/dbraw/zinc/36/54/72/1028365472.db2.gz NPOOABUVBMWFQP-AWEZNQCLSA-N 1 3 331.460 3.798 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000246965082 1028721575 /nfs/dbraw/zinc/72/15/75/1028721575.db2.gz JBLSHYQCOXXNEA-QLFBSQMISA-N 1 3 326.431 3.505 20 0 EHADHO c1ccc(CCN2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000924938585 1028772271 /nfs/dbraw/zinc/77/22/71/1028772271.db2.gz LHZDEQCAGRRXPD-XUBOLADHSA-N 1 3 330.541 3.567 20 0 EHADHO COc1cc(-c2ccccc2)ccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773090 1028778981 /nfs/dbraw/zinc/77/89/81/1028778981.db2.gz WEESYEGMJXQGME-BGYRXZFFSA-N 1 3 336.479 3.794 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000248409897 1028896336 /nfs/dbraw/zinc/89/63/36/1028896336.db2.gz XGWPKTBSLCFYLG-DOIPELPJSA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H]1CC2(CN1Cc1cc(F)ccc1Br)CC[NH2+]CC2 ZINC000424285532 1028928600 /nfs/dbraw/zinc/92/86/00/1028928600.db2.gz FRMYJJDFIWQIOL-LBPRGKRZSA-N 1 3 341.268 3.552 20 0 EHADHO c1sc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781040 1028945691 /nfs/dbraw/zinc/94/56/91/1028945691.db2.gz MJQKNWWUKGIDSH-IRXDYDNUSA-N 1 3 327.497 3.632 20 0 EHADHO C[C@@H]1CC2(CN1Cc1cc(F)ccc1Br)CC[NH2+]CC2 ZINC000424285257 1028958899 /nfs/dbraw/zinc/95/88/99/1028958899.db2.gz FRMYJJDFIWQIOL-GFCCVEGCSA-N 1 3 341.268 3.552 20 0 EHADHO Cc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)sc1Br ZINC000424379777 1029037069 /nfs/dbraw/zinc/03/70/69/1029037069.db2.gz PCUVDLLGTZTGEH-LBPRGKRZSA-N 1 3 343.334 3.783 20 0 EHADHO Fc1ccc([C@@H](NCC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000271754876 1029155071 /nfs/dbraw/zinc/15/50/71/1029155071.db2.gz SDFPPMYJXGLFOB-IBGZPJMESA-N 1 3 332.463 3.511 20 0 EHADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccc(Br)cc1F ZINC000414810442 1029293348 /nfs/dbraw/zinc/29/33/48/1029293348.db2.gz OAWVVQODIZNTLS-NSHDSACASA-N 1 3 331.273 3.626 20 0 EHADHO CCC(N)(CC)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414810442 1029293366 /nfs/dbraw/zinc/29/33/66/1029293366.db2.gz OAWVVQODIZNTLS-NSHDSACASA-N 1 3 331.273 3.626 20 0 EHADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000414810476 1029294048 /nfs/dbraw/zinc/29/40/48/1029294048.db2.gz OFDOADOGTZGUAK-GFCCVEGCSA-N 1 3 336.382 3.606 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000414815600 1029344697 /nfs/dbraw/zinc/34/46/97/1029344697.db2.gz XSNVHCYXGWZBFM-ZDUSSCGKSA-N 1 3 346.858 3.811 20 0 EHADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000414816185 1029351521 /nfs/dbraw/zinc/35/15/21/1029351521.db2.gz ZKPYXOWLIWLOPU-GFCCVEGCSA-N 1 3 349.272 3.767 20 0 EHADHO Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000272310098 1029409584 /nfs/dbraw/zinc/40/95/84/1029409584.db2.gz IRORECDHPHJPQW-GUXCAODWSA-N 1 3 338.499 3.655 20 0 EHADHO CN1CCC[C@@H](C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000533295201 1029588793 /nfs/dbraw/zinc/58/87/93/1029588793.db2.gz YFOTWMDYXSEQEZ-GOSISDBHSA-N 1 3 348.494 3.775 20 0 EHADHO CN1CCC[C@@H](C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000533295201 1029588794 /nfs/dbraw/zinc/58/87/94/1029588794.db2.gz YFOTWMDYXSEQEZ-GOSISDBHSA-N 1 3 348.494 3.775 20 0 EHADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000446839053 1029807492 /nfs/dbraw/zinc/80/74/92/1029807492.db2.gz OSLLFDSEJIJHGF-SFTDATJTSA-N 1 3 332.532 3.938 20 0 EHADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000525484682 1029865095 /nfs/dbraw/zinc/86/50/95/1029865095.db2.gz KFPLOOFTCCJPEZ-KURKYZTESA-N 1 3 343.515 3.872 20 0 EHADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000525484682 1029865099 /nfs/dbraw/zinc/86/50/99/1029865099.db2.gz KFPLOOFTCCJPEZ-KURKYZTESA-N 1 3 343.515 3.872 20 0 EHADHO C[C@@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)[C@H]1CC[NH3+] ZINC000650711964 1030066906 /nfs/dbraw/zinc/06/69/06/1030066906.db2.gz LBZUCXFHDDPARM-UTKZUKDTSA-N 1 3 339.483 3.610 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccccc2C(F)(F)F)C1 ZINC000650721906 1030205370 /nfs/dbraw/zinc/20/53/70/1030205370.db2.gz FPQSBMKEBOBVNV-DJIMGWMZSA-N 1 3 342.405 3.566 20 0 EHADHO Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482453476 1030438558 /nfs/dbraw/zinc/43/85/58/1030438558.db2.gz VUHHIBFELSMNFN-GCJKJVERSA-N 1 3 338.470 3.967 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740067 1030444621 /nfs/dbraw/zinc/44/46/21/1030444621.db2.gz FVTXTYNLZLDZIJ-CQSZACIVSA-N 1 3 327.447 3.760 20 0 EHADHO c1ccc(C[N@H+]2CC[C@H](CNCc3ccnc4ccccc34)C2)cc1 ZINC000394143556 1030913988 /nfs/dbraw/zinc/91/39/88/1030913988.db2.gz XZWFYHABUXARPI-LJQANCHMSA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@H](CNCc3ccnc4ccccc34)C2)cc1 ZINC000394143556 1030913997 /nfs/dbraw/zinc/91/39/97/1030913997.db2.gz XZWFYHABUXARPI-LJQANCHMSA-N 1 3 331.463 3.847 20 0 EHADHO c1cc(-c2nc(CNCC3CC[NH+](C4CC4)CC3)cs2)cs1 ZINC000278473323 1031010122 /nfs/dbraw/zinc/01/01/22/1031010122.db2.gz HTDGYGPPXSAMHF-UHFFFAOYSA-N 1 3 333.526 3.836 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]CC(C)(C)CN2CCCC2)cc1F ZINC000483424748 1031157699 /nfs/dbraw/zinc/15/76/99/1031157699.db2.gz FRAXTEQTXJHLHR-INIZCTEOSA-N 1 3 336.495 3.725 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000278525686 1031226398 /nfs/dbraw/zinc/22/63/98/1031226398.db2.gz QWEUDDPUYALMIH-INIZCTEOSA-N 1 3 338.948 3.895 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)CCN1Cc1ccccc1 ZINC000527810930 1031247887 /nfs/dbraw/zinc/24/78/87/1031247887.db2.gz QCNIJIYTMORAJS-CBQOVEMMSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccncc1 ZINC000527990936 1031548169 /nfs/dbraw/zinc/54/81/69/1031548169.db2.gz SKLCPHUJSXPHRI-XYEHWOGUSA-N 1 3 335.495 3.685 20 0 EHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000178036521 1031612687 /nfs/dbraw/zinc/61/26/87/1031612687.db2.gz QHDQBBPSPXRANX-FUHIMQAGSA-N 1 3 334.504 3.625 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000168959731 1031953453 /nfs/dbraw/zinc/95/34/53/1031953453.db2.gz CJUVVYKFLHZPOM-KBRIMQKVSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168959731 1031953462 /nfs/dbraw/zinc/95/34/62/1031953462.db2.gz CJUVVYKFLHZPOM-KBRIMQKVSA-N 1 3 337.305 3.597 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652089 1032036375 /nfs/dbraw/zinc/03/63/75/1032036375.db2.gz CAQAJBZKSICBDJ-UHFFFAOYSA-N 1 3 340.515 3.733 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652089 1032036394 /nfs/dbraw/zinc/03/63/94/1032036394.db2.gz CAQAJBZKSICBDJ-UHFFFAOYSA-N 1 3 340.515 3.733 20 0 EHADHO CN1CCC(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000898129503 1033342734 /nfs/dbraw/zinc/34/27/34/1033342734.db2.gz ORSPVSWOGJUQEE-UHFFFAOYSA-N 1 3 334.891 3.577 20 0 EHADHO Cc1cc2ncn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2cc1C ZINC000158032425 1033356869 /nfs/dbraw/zinc/35/68/69/1033356869.db2.gz UVQNPRQUUIKKAO-YLJYHZDGSA-N 1 3 338.499 3.559 20 0 EHADHO Cc1cc2ncn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2cc1C ZINC000158032425 1033356885 /nfs/dbraw/zinc/35/68/85/1033356885.db2.gz UVQNPRQUUIKKAO-YLJYHZDGSA-N 1 3 338.499 3.559 20 0 EHADHO CCCCN1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000550628574 1033759333 /nfs/dbraw/zinc/75/93/33/1033759333.db2.gz JGKQRQUOXIQFFN-SFTDATJTSA-N 1 3 329.532 3.676 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC34CCCC4)CC2)ccn1 ZINC000658163561 1034025733 /nfs/dbraw/zinc/02/57/33/1034025733.db2.gz KPSVJUGDAQTBIC-FQEVSTJZSA-N 1 3 327.516 3.996 20 0 EHADHO C[C@@H](Cc1ccsc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165313 1034029326 /nfs/dbraw/zinc/02/93/26/1034029326.db2.gz ILPNNMHXYAGXLO-INIZCTEOSA-N 1 3 329.513 3.576 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)CC2)ccn1 ZINC000658165837 1034030574 /nfs/dbraw/zinc/03/05/74/1034030574.db2.gz MGUVTGQVBKDJIJ-NHCUHLMSSA-N 1 3 327.516 3.852 20 0 EHADHO c1cn2cc(CNCc3ccc(C[NH+]4CCCCC4)cc3)sc2n1 ZINC000892471144 1034440548 /nfs/dbraw/zinc/44/05/48/1034440548.db2.gz ZRIQTHSWBQHWNK-UHFFFAOYSA-N 1 3 340.496 3.672 20 0 EHADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000450879785 1034907459 /nfs/dbraw/zinc/90/74/59/1034907459.db2.gz OPJDUBVHWWRFFX-FQEVSTJZSA-N 1 3 344.547 3.662 20 0 EHADHO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000540976173 1035864253 /nfs/dbraw/zinc/86/42/53/1035864253.db2.gz JIWKBWBAGBNZCR-SLFFLAALSA-N 1 3 330.516 3.692 20 0 EHADHO Cc1cc([C@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)ccc1F ZINC000414191895 1035977563 /nfs/dbraw/zinc/97/75/63/1035977563.db2.gz SCPJCJNDOPTBGW-UWJYYQICSA-N 1 3 341.474 3.940 20 0 EHADHO Cc1cc([C@H](NCC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191895 1035977574 /nfs/dbraw/zinc/97/75/74/1035977574.db2.gz SCPJCJNDOPTBGW-UWJYYQICSA-N 1 3 341.474 3.940 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194681 1035995056 /nfs/dbraw/zinc/99/50/56/1035995056.db2.gz UONANMLIYUWZHM-ZIAGYGMSSA-N 1 3 334.895 3.609 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194681 1035995066 /nfs/dbraw/zinc/99/50/66/1035995066.db2.gz UONANMLIYUWZHM-ZIAGYGMSSA-N 1 3 334.895 3.609 20 0 EHADHO c1c2ccccc2oc1[C@@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000572234556 1036048685 /nfs/dbraw/zinc/04/86/85/1036048685.db2.gz IAAVKECKXCGCBT-KIQACKJLSA-N 1 3 347.462 3.895 20 0 EHADHO CCSc1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000535229603 1036185916 /nfs/dbraw/zinc/18/59/16/1036185916.db2.gz KJIOUBWVGKXLCB-MRXNPFEDSA-N 1 3 336.545 3.950 20 0 EHADHO c1nn(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc12 ZINC001168387547 1036282938 /nfs/dbraw/zinc/28/29/38/1036282938.db2.gz JUNOLUQOIGXBBG-UHFFFAOYSA-N 1 3 338.499 3.548 20 0 EHADHO Cc1cc(C)cc([C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000192794803 1036551087 /nfs/dbraw/zinc/55/10/87/1036551087.db2.gz GEYXURZKAUYWOI-NRFANRHFSA-N 1 3 343.559 3.509 20 0 EHADHO Cc1cc(C)cc([C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000192794803 1036551102 /nfs/dbraw/zinc/55/11/02/1036551102.db2.gz GEYXURZKAUYWOI-NRFANRHFSA-N 1 3 343.559 3.509 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398206155 1036573443 /nfs/dbraw/zinc/57/34/43/1036573443.db2.gz QSIJUIIPHBWPNE-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398206155 1036573448 /nfs/dbraw/zinc/57/34/48/1036573448.db2.gz QSIJUIIPHBWPNE-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO c1csc(C[N@H+]2CCC[C@H](CNCc3n[nH]c4ccccc43)C2)c1 ZINC000589647016 1036577114 /nfs/dbraw/zinc/57/71/14/1036577114.db2.gz ADKCUUVAAPJDND-OAHLLOKOSA-N 1 3 340.496 3.626 20 0 EHADHO c1csc(C[N@@H+]2CCC[C@H](CNCc3n[nH]c4ccccc43)C2)c1 ZINC000589647016 1036577135 /nfs/dbraw/zinc/57/71/35/1036577135.db2.gz ADKCUUVAAPJDND-OAHLLOKOSA-N 1 3 340.496 3.626 20 0 EHADHO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000177291218 1036808646 /nfs/dbraw/zinc/80/86/46/1036808646.db2.gz HHHHJZXDHJGHRA-AZUAARDMSA-N 1 3 338.495 3.910 20 0 EHADHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCCCC1 ZINC000310902677 1036924518 /nfs/dbraw/zinc/92/45/18/1036924518.db2.gz BEJYEEZMZSQWSS-QHAWAJNXSA-N 1 3 342.527 3.572 20 0 EHADHO c1ccc(CN2CC[C@@H](C[NH2+]Cc3cccc4c3NCCC4)C2)cc1 ZINC000311027224 1037174486 /nfs/dbraw/zinc/17/44/86/1037174486.db2.gz PJBGBZOIAORRLR-IBGZPJMESA-N 1 3 335.495 3.656 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818206 1037238450 /nfs/dbraw/zinc/23/84/50/1037238450.db2.gz KENDIMXCZFLEAY-HIFRSBDPSA-N 1 3 330.394 3.747 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818206 1037238458 /nfs/dbraw/zinc/23/84/58/1037238458.db2.gz KENDIMXCZFLEAY-HIFRSBDPSA-N 1 3 330.394 3.747 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461548 1037365835 /nfs/dbraw/zinc/36/58/35/1037365835.db2.gz TXLWQDWGNFEPKW-VDGAXYAQSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461548 1037365852 /nfs/dbraw/zinc/36/58/52/1037365852.db2.gz TXLWQDWGNFEPKW-VDGAXYAQSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461548 1037365864 /nfs/dbraw/zinc/36/58/64/1037365864.db2.gz TXLWQDWGNFEPKW-VDGAXYAQSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463148765 1037818495 /nfs/dbraw/zinc/81/84/95/1037818495.db2.gz HKGZUWUYHASVHF-CEWLAPEOSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCCO1 ZINC000542474861 1037888008 /nfs/dbraw/zinc/88/80/08/1037888008.db2.gz PZOKTPFEYWEPSH-KXBFYZLASA-N 1 3 336.907 3.709 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001168253293 1038201719 /nfs/dbraw/zinc/20/17/19/1038201719.db2.gz XHKPPEKZNWJYJF-NRFANRHFSA-N 1 3 342.527 3.797 20 0 EHADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001168253293 1038201736 /nfs/dbraw/zinc/20/17/36/1038201736.db2.gz XHKPPEKZNWJYJF-NRFANRHFSA-N 1 3 342.527 3.797 20 0 EHADHO CC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnn(C)c1 ZINC000163924190 1038359283 /nfs/dbraw/zinc/35/92/83/1038359283.db2.gz ASZVBNQXJVTPSW-FQEVSTJZSA-N 1 3 326.488 3.647 20 0 EHADHO Cc1cc([C@H](NCC2([NH+]3CCCC3)CCOCC2)C2CC2)ccc1F ZINC000539200521 1038726148 /nfs/dbraw/zinc/72/61/48/1038726148.db2.gz NMRMXESZCWUOEN-HXUWFJFHSA-N 1 3 346.490 3.820 20 0 EHADHO CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000539215776 1038734630 /nfs/dbraw/zinc/73/46/30/1038734630.db2.gz RTZAIZXEDNBTEM-IAGOWNOFSA-N 1 3 341.499 3.996 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[C@H](C)O1 ZINC000539218927 1038735851 /nfs/dbraw/zinc/73/58/51/1038735851.db2.gz WFILPXXLXFIZNH-GQIGUUNPSA-N 1 3 334.479 3.756 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089061 1039007899 /nfs/dbraw/zinc/00/78/99/1039007899.db2.gz QMWKYCYUZOHUGD-UHFFFAOYSA-N 1 3 331.287 3.776 20 0 EHADHO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000108450514 1039049256 /nfs/dbraw/zinc/04/92/56/1039049256.db2.gz QKJFKYXAYGMUGH-KSZLIROESA-N 1 3 343.515 3.525 20 0 EHADHO Cc1cccc2[nH]c(CN3CCC(OCC[NH+]4CCCC4)CC3)cc21 ZINC000667675590 1039543109 /nfs/dbraw/zinc/54/31/09/1039543109.db2.gz ONRBSXIQILWRCZ-UHFFFAOYSA-N 1 3 341.499 3.553 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000480671162 1039857151 /nfs/dbraw/zinc/85/71/51/1039857151.db2.gz QZVHXBQSDPRACQ-MWQQHZPXSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000480671162 1039857174 /nfs/dbraw/zinc/85/71/74/1039857174.db2.gz QZVHXBQSDPRACQ-MWQQHZPXSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000480671162 1039857199 /nfs/dbraw/zinc/85/71/99/1039857199.db2.gz QZVHXBQSDPRACQ-MWQQHZPXSA-N 1 3 326.406 3.685 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCc1ccc(C(C)(C)C)cc1 ZINC000555092578 1040134190 /nfs/dbraw/zinc/13/41/90/1040134190.db2.gz JPJNPNCSSWEMPC-HKBOAZHASA-N 1 3 344.543 3.710 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000555099223 1040156796 /nfs/dbraw/zinc/15/67/96/1040156796.db2.gz KXKTUDZFMGTNEF-SBALYVHTSA-N 1 3 338.442 3.963 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000555099223 1040156810 /nfs/dbraw/zinc/15/68/10/1040156810.db2.gz KXKTUDZFMGTNEF-SBALYVHTSA-N 1 3 338.442 3.963 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCS4)[C@H]3C2)cc1 ZINC000512632395 1040339565 /nfs/dbraw/zinc/33/95/65/1040339565.db2.gz ZZDKXCGERIURMG-YRPNKDGESA-N 1 3 330.541 3.772 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000512637451 1040363349 /nfs/dbraw/zinc/36/33/49/1040363349.db2.gz VYNKRZDHQPILDE-FKBYEOEOSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000479608191 1040428427 /nfs/dbraw/zinc/42/84/27/1040428427.db2.gz WOBCUNPGEVMRCR-AWEZNQCLSA-N 1 3 343.437 3.505 20 0 EHADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549867959 1040456581 /nfs/dbraw/zinc/45/65/81/1040456581.db2.gz KJZCXMIMPJDZTN-NRSPTQNISA-N 1 3 342.527 3.693 20 0 EHADHO CCc1ccc([C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000500129026 1040564978 /nfs/dbraw/zinc/56/49/78/1040564978.db2.gz KBAMHVXJDNSWAM-JOCHJYFZSA-N 1 3 345.575 3.952 20 0 EHADHO Brc1ccc([C@@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372135 1040691884 /nfs/dbraw/zinc/69/18/84/1040691884.db2.gz UPJWIHBVRUHICY-ZWKOTPCHSA-N 1 3 349.316 3.769 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC/C=C\c2ccncc2)[C@@H]1c1cccs1 ZINC000487265493 1040853046 /nfs/dbraw/zinc/85/30/46/1040853046.db2.gz HKHJTDFSQQVXQX-AUAAOEEOSA-N 1 3 327.497 3.829 20 0 EHADHO C[N@H+]1CCC[C@H](CNC/C=C\c2ccncc2)[C@@H]1c1cccs1 ZINC000487265493 1040853056 /nfs/dbraw/zinc/85/30/56/1040853056.db2.gz HKHJTDFSQQVXQX-AUAAOEEOSA-N 1 3 327.497 3.829 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924858511 1041067774 /nfs/dbraw/zinc/06/77/74/1041067774.db2.gz ZJCWWHDMWWLSPW-CTNGQTDRSA-N 1 3 334.548 3.826 20 0 EHADHO Brc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157431926 1041115364 /nfs/dbraw/zinc/11/53/64/1041115364.db2.gz UYSFHQVDOBGMJX-ZLGJRNTRSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1cccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157431926 1041115367 /nfs/dbraw/zinc/11/53/67/1041115367.db2.gz UYSFHQVDOBGMJX-ZLGJRNTRSA-N 1 3 349.316 3.912 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(Br)c1 ZINC000020128753 1041180208 /nfs/dbraw/zinc/18/02/08/1041180208.db2.gz VQKTVPDEFFXBCJ-AWEZNQCLSA-N 1 3 325.294 3.976 20 0 EHADHO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)CC(C)C ZINC000044277178 1041870437 /nfs/dbraw/zinc/87/04/37/1041870437.db2.gz AUJMAXDFRLNEOY-IBGZPJMESA-N 1 3 348.535 3.626 20 0 EHADHO CC(C)C[C@H](NCc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000343956545 1042947413 /nfs/dbraw/zinc/94/74/13/1042947413.db2.gz ACJZAEYPCHUJQC-FQEVSTJZSA-N 1 3 341.499 3.899 20 0 EHADHO C[NH+](C)CCOc1ccccc1CNC/C=C/c1ccc(F)c(F)c1 ZINC000512084639 1043169069 /nfs/dbraw/zinc/16/90/69/1043169069.db2.gz QDMCNLOANRQFJR-AATRIKPKSA-N 1 3 346.421 3.708 20 0 EHADHO C[C@H]1CN(CC2CC[NH+](Cc3cc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000512176573 1043645934 /nfs/dbraw/zinc/64/59/34/1043645934.db2.gz BBGWNNCJBZTJQC-IRXDYDNUSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@H]1C[NH+](CC2CCN(Cc3cc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000512176573 1043645940 /nfs/dbraw/zinc/64/59/40/1043645940.db2.gz BBGWNNCJBZTJQC-IRXDYDNUSA-N 1 3 342.483 3.754 20 0 EHADHO CSc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000173359773 1126829796 /nfs/dbraw/zinc/82/97/96/1126829796.db2.gz BGNIMZMBRFRIFD-BBWFWOEESA-N 1 3 336.545 3.949 20 0 EHADHO CC(C)[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342205 1126922262 /nfs/dbraw/zinc/92/22/62/1126922262.db2.gz LUAWJMHLOKFSGT-LPHOPBHVSA-N 1 3 332.488 3.617 20 0 EHADHO CC(C)[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342205 1126922263 /nfs/dbraw/zinc/92/22/63/1126922263.db2.gz LUAWJMHLOKFSGT-LPHOPBHVSA-N 1 3 332.488 3.617 20 0 EHADHO C[N@@H+]1CC[C@@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356558 1126929054 /nfs/dbraw/zinc/92/90/54/1126929054.db2.gz XAUNNABTDZBSBV-MOPGFXCFSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356558 1126929056 /nfs/dbraw/zinc/92/90/56/1126929056.db2.gz XAUNNABTDZBSBV-MOPGFXCFSA-N 1 3 349.950 3.939 20 0 EHADHO CN1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476236 1126963574 /nfs/dbraw/zinc/96/35/74/1126963574.db2.gz UHUPUELOWPFPCW-FGTMMUONSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476236 1126963577 /nfs/dbraw/zinc/96/35/77/1126963577.db2.gz UHUPUELOWPFPCW-FGTMMUONSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476236 1126963581 /nfs/dbraw/zinc/96/35/81/1126963581.db2.gz UHUPUELOWPFPCW-FGTMMUONSA-N 1 3 335.923 3.548 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623951644 1127221221 /nfs/dbraw/zinc/22/12/21/1127221221.db2.gz UICPJTDIQXAJQX-SFHVURJKSA-N 1 3 347.572 3.829 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623951644 1127221223 /nfs/dbraw/zinc/22/12/23/1127221223.db2.gz UICPJTDIQXAJQX-SFHVURJKSA-N 1 3 347.572 3.829 20 0 EHADHO COC[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000182454700 1127330692 /nfs/dbraw/zinc/33/06/92/1127330692.db2.gz PDRLVURYQFFWEL-LJQANCHMSA-N 1 3 340.458 3.754 20 0 EHADHO COC[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182961244 1127356240 /nfs/dbraw/zinc/35/62/40/1127356240.db2.gz AGHFXPBEMRTHOV-IBGZPJMESA-N 1 3 340.458 3.898 20 0 EHADHO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000183013786 1127358652 /nfs/dbraw/zinc/35/86/52/1127358652.db2.gz PYXRFNZJIKCYIF-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO CSC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000381781107 1127492610 /nfs/dbraw/zinc/49/26/10/1127492610.db2.gz ZOCSJOZIOFMOAN-CEXWTWQISA-N 1 3 330.541 3.772 20 0 EHADHO Cc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC001137808568 1127702676 /nfs/dbraw/zinc/70/26/76/1127702676.db2.gz WMKONJXYJOJPQG-UHFFFAOYSA-N 1 3 337.305 3.675 20 0 EHADHO CCCN1CCC([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000387396473 1127758326 /nfs/dbraw/zinc/75/83/26/1127758326.db2.gz KUEOXPOYCGIGFF-UHFFFAOYSA-N 1 3 329.532 3.505 20 0 EHADHO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)CC1 ZINC000347551192 1128072265 /nfs/dbraw/zinc/07/22/65/1128072265.db2.gz JUEHFZVLKDHCKO-UHFFFAOYSA-N 1 3 349.478 3.774 20 0 EHADHO CCCCN(C)CCC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168585319 1128125653 /nfs/dbraw/zinc/12/56/53/1128125653.db2.gz HNXLTKMOPPLJNC-ICSRJNTNSA-N 1 3 334.504 3.627 20 0 EHADHO CCC1([NH+]2CCOCC2)CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000624702290 1128460442 /nfs/dbraw/zinc/46/04/42/1128460442.db2.gz ANSNXEXLLMMTMS-UHFFFAOYSA-N 1 3 339.483 3.624 20 0 EHADHO Cc1ccc(C)c(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110427335 1128785894 /nfs/dbraw/zinc/78/58/94/1128785894.db2.gz YEZVJSXWXITRIC-OALUTQOASA-N 1 3 330.516 3.625 20 0 EHADHO Cc1ccc(-c2ccccc2C[NH2+]C[C@H](O)CN2CCCC2)c(C)c1 ZINC001648914337 1120148506 /nfs/dbraw/zinc/14/85/06/1120148506.db2.gz SIFRHBAVYZACDF-FQEVSTJZSA-N 1 3 338.495 3.517 20 0 EHADHO COCC[C@H](Cc1ccco1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000542483592 1120574403 /nfs/dbraw/zinc/57/44/03/1120574403.db2.gz QKYCPVGVDFONMZ-GOSISDBHSA-N 1 3 334.504 3.614 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000494736368 1120753184 /nfs/dbraw/zinc/75/31/84/1120753184.db2.gz CMIFCOXGOIQYED-QXAKKESOSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@@H]1CCc2ccccc2OC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000494736368 1120753190 /nfs/dbraw/zinc/75/31/90/1120753190.db2.gz CMIFCOXGOIQYED-QXAKKESOSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@@H]1CCc2ccccc2OC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736368 1120753191 /nfs/dbraw/zinc/75/31/91/1120753191.db2.gz CMIFCOXGOIQYED-QXAKKESOSA-N 1 3 328.500 3.623 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300530283 1121029544 /nfs/dbraw/zinc/02/95/44/1121029544.db2.gz OMGZMEXTFNTWCX-ZBFHGGJFSA-N 1 3 339.321 3.700 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000393909436 1121671658 /nfs/dbraw/zinc/67/16/58/1121671658.db2.gz AOIJEKZMUSQAQU-WCIQWLHISA-N 1 3 330.541 3.630 20 0 EHADHO CSc1ccccc1NC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000072759272 1123154501 /nfs/dbraw/zinc/15/45/01/1123154501.db2.gz CTFSUCRHOJASTI-MRXNPFEDSA-N 1 3 349.544 3.543 20 0 EHADHO CSc1ccccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000072759272 1123154504 /nfs/dbraw/zinc/15/45/04/1123154504.db2.gz CTFSUCRHOJASTI-MRXNPFEDSA-N 1 3 349.544 3.543 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000556872244 1123162119 /nfs/dbraw/zinc/16/21/19/1123162119.db2.gz GYQCLUWMRWMIKK-USXIJHARSA-N 1 3 342.405 3.676 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000556872244 1123162120 /nfs/dbraw/zinc/16/21/20/1123162120.db2.gz GYQCLUWMRWMIKK-USXIJHARSA-N 1 3 342.405 3.676 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440125 1123827600 /nfs/dbraw/zinc/82/76/00/1123827600.db2.gz UFMVMDVFBBBLAV-AAEUAGOBSA-N 1 3 331.323 3.673 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440125 1123827606 /nfs/dbraw/zinc/82/76/06/1123827606.db2.gz UFMVMDVFBBBLAV-AAEUAGOBSA-N 1 3 331.323 3.673 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353596402 1124953968 /nfs/dbraw/zinc/95/39/68/1124953968.db2.gz QRXVLVXGKDOGPU-AZUAARDMSA-N 1 3 338.499 3.677 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353596402 1124953973 /nfs/dbraw/zinc/95/39/73/1124953973.db2.gz QRXVLVXGKDOGPU-AZUAARDMSA-N 1 3 338.499 3.677 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287718 1124974680 /nfs/dbraw/zinc/97/46/80/1124974680.db2.gz QDSXJNHCMCRCHI-SUMWQHHRSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287718 1124974682 /nfs/dbraw/zinc/97/46/82/1124974682.db2.gz QDSXJNHCMCRCHI-SUMWQHHRSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287718 1124974687 /nfs/dbraw/zinc/97/46/87/1124974687.db2.gz QDSXJNHCMCRCHI-SUMWQHHRSA-N 1 3 337.305 3.832 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)cc1CN1CCCCC1 ZINC000183007494 1125418370 /nfs/dbraw/zinc/41/83/70/1125418370.db2.gz HELLTMKRACLQFS-SQNIBIBYSA-N 1 3 348.531 3.739 20 0 EHADHO C1C[C@@H]([C@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)CO1 ZINC000466343545 1129393040 /nfs/dbraw/zinc/39/30/40/1129393040.db2.gz MCJZVJPJZBUTDP-NLWGTHIKSA-N 1 3 334.548 3.968 20 0 EHADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436826 1129712188 /nfs/dbraw/zinc/71/21/88/1129712188.db2.gz JMBYTPBKYHMVNP-PGRDOPGGSA-N 1 3 338.470 3.967 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000675751914 1130464919 /nfs/dbraw/zinc/46/49/19/1130464919.db2.gz GICVILLEJITLCM-UXPWSPDFSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675751914 1130464924 /nfs/dbraw/zinc/46/49/24/1130464924.db2.gz GICVILLEJITLCM-UXPWSPDFSA-N 1 3 343.515 3.744 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CN(C)Cc3ccccc32)CCN1Cc1ccccc1 ZINC000536838553 1130595015 /nfs/dbraw/zinc/59/50/15/1130595015.db2.gz HWGGKCNKIMAWJL-JZWVFAODSA-N 1 3 349.522 3.816 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172749081 1131831628 /nfs/dbraw/zinc/83/16/28/1131831628.db2.gz IDEKXIOVMGQCBA-QZTJIDSGSA-N 1 3 336.520 3.517 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172749081 1131831633 /nfs/dbraw/zinc/83/16/33/1131831633.db2.gz IDEKXIOVMGQCBA-QZTJIDSGSA-N 1 3 336.520 3.517 20 0 EHADHO Cc1ccc2c(c1)C[C@@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)CC2 ZINC001172828811 1131854506 /nfs/dbraw/zinc/85/45/06/1131854506.db2.gz PXWDRDBSBKJRLD-NRFANRHFSA-N 1 3 338.470 3.941 20 0 EHADHO CO[C@H]1CCC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001172947208 1131916720 /nfs/dbraw/zinc/91/67/20/1131916720.db2.gz WZVGDLODDDNPGF-UXHICEINSA-N 1 3 328.500 3.542 20 0 EHADHO Fc1cc2c(cc1F)CC(NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001173476483 1132073845 /nfs/dbraw/zinc/07/38/45/1132073845.db2.gz XPCPEAAQSAEDLO-UHFFFAOYSA-N 1 3 334.454 3.819 20 0 EHADHO Fc1cc2c(cc1F)CC([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001173476483 1132073852 /nfs/dbraw/zinc/07/38/52/1132073852.db2.gz XPCPEAAQSAEDLO-UHFFFAOYSA-N 1 3 334.454 3.819 20 0 EHADHO CCN1CCN(c2ccc(Nc3ccccc3C[NH+](C)C)cc2)CC1 ZINC001173929633 1132187760 /nfs/dbraw/zinc/18/77/60/1132187760.db2.gz IEANLFIXBGQIKT-UHFFFAOYSA-N 1 3 338.499 3.634 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094422 1132653175 /nfs/dbraw/zinc/65/31/75/1132653175.db2.gz LKDQPZOIHQNSMG-PDOICOKGSA-N 1 3 347.934 3.692 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094422 1132653179 /nfs/dbraw/zinc/65/31/79/1132653179.db2.gz LKDQPZOIHQNSMG-PDOICOKGSA-N 1 3 347.934 3.692 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001169122590 1132663095 /nfs/dbraw/zinc/66/30/95/1132663095.db2.gz ATTIIXJQESDGEE-QEOTZNIISA-N 1 3 335.289 3.520 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001169122590 1132663101 /nfs/dbraw/zinc/66/31/01/1132663101.db2.gz ATTIIXJQESDGEE-QEOTZNIISA-N 1 3 335.289 3.520 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(C)(C)C)cc3)CC1)C2 ZINC001169153252 1132679635 /nfs/dbraw/zinc/67/96/35/1132679635.db2.gz IIOBKNFHEJJADJ-AERCQKQUSA-N 1 3 341.543 3.731 20 0 EHADHO C[C@]1(C[NH3+])CCCN(Cc2cc(F)ccc2Br)CC1 ZINC001206305227 1133077957 /nfs/dbraw/zinc/07/79/57/1133077957.db2.gz WSTZAHCJBOXKEK-HNNXBMFYSA-N 1 3 329.257 3.539 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C(C)C)CC1 ZINC001178510097 1133174280 /nfs/dbraw/zinc/17/42/80/1133174280.db2.gz SWEISBBCWYCXLK-UHFFFAOYSA-N 1 3 331.548 3.990 20 0 EHADHO Cc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)c(Br)cc1F ZINC001178916585 1133211914 /nfs/dbraw/zinc/21/19/14/1133211914.db2.gz ILQHOZZRDWEEDA-CYBMUJFWSA-N 1 3 343.284 3.718 20 0 EHADHO Cc1cc(CNCC[C@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC001178916585 1133211918 /nfs/dbraw/zinc/21/19/18/1133211918.db2.gz ILQHOZZRDWEEDA-CYBMUJFWSA-N 1 3 343.284 3.718 20 0 EHADHO COc1cccc(OC)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC001180076874 1133325387 /nfs/dbraw/zinc/32/53/87/1133325387.db2.gz JURKMFFRJYSRLB-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534529 1133498552 /nfs/dbraw/zinc/49/85/52/1133498552.db2.gz MGGRYHJRAKUGQI-DLBZAZTESA-N 1 3 326.406 3.708 20 0 EHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534529 1133498554 /nfs/dbraw/zinc/49/85/54/1133498554.db2.gz MGGRYHJRAKUGQI-DLBZAZTESA-N 1 3 326.406 3.708 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000774988294 1134177881 /nfs/dbraw/zinc/17/78/81/1134177881.db2.gz ZFULOGGBGOKZPC-AWEZNQCLSA-N 1 3 325.294 3.579 20 0 EHADHO c1cn(-c2ccccc2)c(CNC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000790973357 1134493725 /nfs/dbraw/zinc/49/37/25/1134493725.db2.gz LDFPEQMMVAVXGZ-UHFFFAOYSA-N 1 3 338.499 3.759 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1CN1CCCCC1 ZINC000775413260 1134756290 /nfs/dbraw/zinc/75/62/90/1134756290.db2.gz ZPMGOTGNPBIHJH-CRAIPNDOSA-N 1 3 334.529 3.837 20 0 EHADHO C[C@@H](O)CC[N@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078252 1134789650 /nfs/dbraw/zinc/78/96/50/1134789650.db2.gz RFAUMBOCCXFWQI-DENIHFKCSA-N 1 3 340.511 3.605 20 0 EHADHO C[C@@H](O)CC[N@@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078252 1134789654 /nfs/dbraw/zinc/78/96/54/1134789654.db2.gz RFAUMBOCCXFWQI-DENIHFKCSA-N 1 3 340.511 3.605 20 0 EHADHO CCc1sc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205638012 1135153154 /nfs/dbraw/zinc/15/31/54/1135153154.db2.gz KILBICYGZLQWRW-RYUDHWBXSA-N 1 3 345.350 3.880 20 0 EHADHO CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000716732686 1135180486 /nfs/dbraw/zinc/18/04/86/1135180486.db2.gz QIGBKCMCOPLEAZ-JKLQHZFJSA-N 1 3 342.527 3.834 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCOc1ccccc1 ZINC001198927507 1135867117 /nfs/dbraw/zinc/86/71/17/1135867117.db2.gz QDUMQOGEHYOQIF-UHFFFAOYSA-N 1 3 326.484 3.813 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCOc1ccccc1 ZINC001198927507 1135867120 /nfs/dbraw/zinc/86/71/20/1135867120.db2.gz QDUMQOGEHYOQIF-UHFFFAOYSA-N 1 3 326.484 3.813 20 0 EHADHO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001199328633 1135898318 /nfs/dbraw/zinc/89/83/18/1135898318.db2.gz CCJIUHBAPUNLHR-UGKGYDQZSA-N 1 3 343.559 3.883 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CCC3)C2)ccn1 ZINC000856605880 1136799121 /nfs/dbraw/zinc/79/91/21/1136799121.db2.gz GPABIDJNFQJLFZ-OAQYLSRUSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC3CCC3)C2)ccn1 ZINC000856605880 1136799124 /nfs/dbraw/zinc/79/91/24/1136799124.db2.gz GPABIDJNFQJLFZ-OAQYLSRUSA-N 1 3 345.531 3.955 20 0 EHADHO CCCCn1nc(C)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1Cl ZINC000818431400 1136877330 /nfs/dbraw/zinc/87/73/30/1136877330.db2.gz LALUFJUZDMITPN-CQSZACIVSA-N 1 3 338.927 3.609 20 0 EHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000818953022 1136895244 /nfs/dbraw/zinc/89/52/44/1136895244.db2.gz GMZKUNVYQHECQS-FQEVSTJZSA-N 1 3 344.886 3.759 20 0 EHADHO Cc1ccccc1[C@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000819078930 1136911464 /nfs/dbraw/zinc/91/14/64/1136911464.db2.gz OFVGTFDFFWSYHN-PGRDOPGGSA-N 1 3 338.495 3.844 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc1OC ZINC000858546375 1136977942 /nfs/dbraw/zinc/97/79/42/1136977942.db2.gz UGGNFPDKBVVNOC-PAXLWEDBSA-N 1 3 346.515 3.755 20 0 EHADHO C[NH+](C)CC[C@H](N[C@@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170949462 1136996511 /nfs/dbraw/zinc/99/65/11/1136996511.db2.gz NIBAYCAJQIVJHW-NQIIRXRSSA-N 1 3 326.459 3.966 20 0 EHADHO Cc1c(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccnc1F ZINC000862284578 1137137148 /nfs/dbraw/zinc/13/71/48/1137137148.db2.gz KHZLESIYPPTKSG-HZPDHXFCSA-N 1 3 341.474 3.775 20 0 EHADHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001171171329 1137281998 /nfs/dbraw/zinc/28/19/98/1137281998.db2.gz FTJHDBZILISGDD-IIDMSEBBSA-N 1 3 339.310 3.734 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000865624336 1137299649 /nfs/dbraw/zinc/29/96/49/1137299649.db2.gz YECYPPFJSRUFPP-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000865624336 1137299652 /nfs/dbraw/zinc/29/96/52/1137299652.db2.gz YECYPPFJSRUFPP-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO C[C@@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716629470 1137488006 /nfs/dbraw/zinc/48/80/06/1137488006.db2.gz YZLPSCPACALVTR-UDDWMFPDSA-N 1 3 335.495 3.655 20 0 EHADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505019 1137494904 /nfs/dbraw/zinc/49/49/04/1137494904.db2.gz BVNLSYRELFXEKF-OAHLLOKOSA-N 1 3 340.433 3.945 20 0 EHADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505019 1137494905 /nfs/dbraw/zinc/49/49/05/1137494905.db2.gz BVNLSYRELFXEKF-OAHLLOKOSA-N 1 3 340.433 3.945 20 0 EHADHO CCOC(=O)[C@H]1CC[C@H](C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171622928 1137500904 /nfs/dbraw/zinc/50/09/04/1137500904.db2.gz CZJIDHPNIZNSAJ-WKILWMFISA-N 1 3 338.536 3.597 20 0 EHADHO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171624792 1137501276 /nfs/dbraw/zinc/50/12/76/1137501276.db2.gz XSBUENXURSEDHS-AWEZNQCLSA-N 1 3 341.540 3.531 20 0 EHADHO Cc1cccc(O[C@H]2CCCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640653 1137504796 /nfs/dbraw/zinc/50/47/96/1137504796.db2.gz IQGVXOJVRDKPPX-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccc(O[C@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640653 1137504797 /nfs/dbraw/zinc/50/47/97/1137504797.db2.gz IQGVXOJVRDKPPX-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccc(O[C@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640653 1137504799 /nfs/dbraw/zinc/50/47/99/1137504799.db2.gz IQGVXOJVRDKPPX-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CO)CCN1Cc1ccccc1 ZINC001171972641 1137524159 /nfs/dbraw/zinc/52/41/59/1137524159.db2.gz RVUBLCHQWLVCNI-NRFANRHFSA-N 1 3 338.495 3.712 20 0 EHADHO CC1(C)C[C@H]([NH2+]Cc2ccnc(F)c2)CCN1Cc1ccccc1 ZINC001171974396 1137524589 /nfs/dbraw/zinc/52/45/89/1137524589.db2.gz FNPSEHXQJALFAF-GOSISDBHSA-N 1 3 327.447 3.754 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C2 ZINC001172108464 1137537153 /nfs/dbraw/zinc/53/71/53/1137537153.db2.gz WRCVVWMBVMFBPW-BTTYYORXSA-N 1 3 341.268 3.693 20 0 EHADHO COc1ccccc1CC(C)(C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873206447 1137594132 /nfs/dbraw/zinc/59/41/32/1137594132.db2.gz DHICWYRPZNSKBO-UHFFFAOYSA-N 1 3 330.497 3.513 20 0 EHADHO Fc1ccc([C@@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccnc2)c(F)c1 ZINC000873263342 1137595610 /nfs/dbraw/zinc/59/56/10/1137595610.db2.gz ILDUWSDYAKAXFP-RFHZUNJHSA-N 1 3 343.421 3.569 20 0 EHADHO c1ccc(C(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc2)cc1 ZINC000873292906 1137596736 /nfs/dbraw/zinc/59/67/36/1137596736.db2.gz WKSBMZDXWLALGK-FQEVSTJZSA-N 1 3 336.479 3.524 20 0 EHADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000873292102 1137596745 /nfs/dbraw/zinc/59/67/45/1137596745.db2.gz ZISXVPFYAUHQBB-OCCSQVGLSA-N 1 3 343.298 3.803 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054320 1137668863 /nfs/dbraw/zinc/66/88/63/1137668863.db2.gz HHUPQHLDGQBLMR-BZPMIXESSA-N 1 3 333.328 3.914 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054320 1137668864 /nfs/dbraw/zinc/66/88/64/1137668864.db2.gz HHUPQHLDGQBLMR-BZPMIXESSA-N 1 3 333.328 3.914 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000878608316 1137722129 /nfs/dbraw/zinc/72/21/29/1137722129.db2.gz OJDJMAASNJNSFN-DVJFUJMWSA-N 1 3 343.298 3.584 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000878608316 1137722130 /nfs/dbraw/zinc/72/21/30/1137722130.db2.gz OJDJMAASNJNSFN-DVJFUJMWSA-N 1 3 343.298 3.584 20 0 EHADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652908 1137723912 /nfs/dbraw/zinc/72/39/12/1137723912.db2.gz VVWRENFBFRJENS-HBMCJLEFSA-N 1 3 328.500 3.715 20 0 EHADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652908 1137723913 /nfs/dbraw/zinc/72/39/13/1137723913.db2.gz VVWRENFBFRJENS-HBMCJLEFSA-N 1 3 328.500 3.715 20 0 EHADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195132 1137848146 /nfs/dbraw/zinc/84/81/46/1137848146.db2.gz LMLVNLVMJHKRCX-XUVXKRRUSA-N 1 3 334.479 3.756 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195132 1137848147 /nfs/dbraw/zinc/84/81/47/1137848147.db2.gz LMLVNLVMJHKRCX-XUVXKRRUSA-N 1 3 334.479 3.756 20 0 EHADHO FC(F)(F)Oc1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000119734096 1137944146 /nfs/dbraw/zinc/94/41/46/1137944146.db2.gz AJRPWVDAFPMIEQ-QGZVFWFLSA-N 1 3 340.389 3.789 20 0 EHADHO COC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886532221 1138091208 /nfs/dbraw/zinc/09/12/08/1138091208.db2.gz GFPSIOOZLFUCFA-GTAWCEEGSA-N 1 3 330.516 3.833 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@H](C)C1 ZINC000130599845 1138464354 /nfs/dbraw/zinc/46/43/54/1138464354.db2.gz ZTFNJHSVMSPTGB-BEFAXECRSA-N 1 3 343.446 3.833 20 0 EHADHO C[C@@H](N[C@H]1CCCc2occc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000152237543 1139080076 /nfs/dbraw/zinc/08/00/76/1139080076.db2.gz BENMWSGBPBIEHE-BEFAXECRSA-N 1 3 328.456 3.948 20 0 EHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000178522440 1139701179 /nfs/dbraw/zinc/70/11/79/1139701179.db2.gz QOJNDAVIYPJWGS-SFHVURJKSA-N 1 3 338.495 3.851 20 0 EHADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000182108868 1139951142 /nfs/dbraw/zinc/95/11/42/1139951142.db2.gz FROJBJZDJKOOGV-OAHLLOKOSA-N 1 3 329.488 3.703 20 0 EHADHO CCC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000185055386 1140133889 /nfs/dbraw/zinc/13/38/89/1140133889.db2.gz VHTHGSGKLGYFIE-FQEVSTJZSA-N 1 3 327.472 3.653 20 0 EHADHO CCSc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000185582631 1140156816 /nfs/dbraw/zinc/15/68/16/1140156816.db2.gz UECMBCXVBKWBGA-UXHICEINSA-N 1 3 348.556 3.656 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000268803287 1140995712 /nfs/dbraw/zinc/99/57/12/1140995712.db2.gz ZNDXIJRMTOSNFS-FQEVSTJZSA-N 1 3 328.431 3.543 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000269053162 1141056450 /nfs/dbraw/zinc/05/64/50/1141056450.db2.gz IPQSCMHDAMRKLA-ZYSHUDEJSA-N 1 3 346.519 3.740 20 0 EHADHO CC[C@@H](C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C)N(CC)CC ZINC000269230655 1141081718 /nfs/dbraw/zinc/08/17/18/1141081718.db2.gz HXBYLXIPBUTXHM-IBGZPJMESA-N 1 3 331.504 3.650 20 0 EHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271646551 1141411842 /nfs/dbraw/zinc/41/18/42/1141411842.db2.gz FLLFEAJKWLVQBH-XUVXKRRUSA-N 1 3 348.918 3.759 20 0 EHADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccc(Br)c1 ZINC000038098163 202101590 /nfs/dbraw/zinc/10/15/90/202101590.db2.gz YYEOYPITQBSTIZ-MRXNPFEDSA-N 1 3 325.294 3.974 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000040227470 518218555 /nfs/dbraw/zinc/21/85/55/518218555.db2.gz WGUUGOLRWXBKMY-SJKOYZFVSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000040227470 518218560 /nfs/dbraw/zinc/21/85/60/518218560.db2.gz WGUUGOLRWXBKMY-SJKOYZFVSA-N 1 3 335.289 3.510 20 0 EHADHO c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298341191 526512067 /nfs/dbraw/zinc/51/20/67/526512067.db2.gz JGRROJFUQVFROW-SFHVURJKSA-N 1 3 325.481 3.877 20 0 EHADHO c1ccc2c(c1)SCC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298341182 526513184 /nfs/dbraw/zinc/51/31/84/526513184.db2.gz JGRROJFUQVFROW-GOSISDBHSA-N 1 3 325.481 3.877 20 0 EHADHO C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027825 1032064621 /nfs/dbraw/zinc/06/46/21/1032064621.db2.gz JMEFKSPBWGNXBJ-KBPBESRZSA-N 1 3 333.476 3.864 20 0 EHADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027825 1032064636 /nfs/dbraw/zinc/06/46/36/1032064636.db2.gz JMEFKSPBWGNXBJ-KBPBESRZSA-N 1 3 333.476 3.864 20 0 EHADHO c1ccc2c(c1)cncc2CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473514 1032071639 /nfs/dbraw/zinc/07/16/39/1032071639.db2.gz JCMCPZNHDUYFGV-IFMALSPDSA-N 1 3 345.446 3.580 20 0 EHADHO CC1CCN([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000153409160 1125483228 /nfs/dbraw/zinc/48/32/28/1125483228.db2.gz RLAZUCUBVYMPSU-FGTMMUONSA-N 1 3 335.561 3.593 20 0 EHADHO CC1CCN([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000153409160 1125483229 /nfs/dbraw/zinc/48/32/29/1125483229.db2.gz RLAZUCUBVYMPSU-FGTMMUONSA-N 1 3 335.561 3.593 20 0 EHADHO CC[C@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000339490970 1014578897 /nfs/dbraw/zinc/57/88/97/1014578897.db2.gz SWQCCUSWVZTSOW-ICSRJNTNSA-N 1 3 330.516 3.551 20 0 EHADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000924651700 1032116443 /nfs/dbraw/zinc/11/64/43/1032116443.db2.gz ZWQRTYVRYVNVJL-LJQANCHMSA-N 1 3 329.532 3.613 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCN1C ZINC000155200150 1016297677 /nfs/dbraw/zinc/29/76/77/1016297677.db2.gz WVICIJAORVAGAR-VQIMIIECSA-N 1 3 349.950 3.624 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000155204117 1016301256 /nfs/dbraw/zinc/30/12/56/1016301256.db2.gz QWDBOPHHBCHCHP-YJBOKZPZSA-N 1 3 336.907 3.567 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089532 1032192833 /nfs/dbraw/zinc/19/28/33/1032192833.db2.gz KCTYJNOQFRDVQK-XHDPSFHLSA-N 1 3 341.268 3.507 20 0 EHADHO CC[NH+]1CCC(CCN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449174557 1032266600 /nfs/dbraw/zinc/26/66/00/1032266600.db2.gz ZAOGQPLCNYVDNJ-OAHLLOKOSA-N 1 3 326.406 3.803 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCSCC(F)(F)F)CC2)C1 ZINC000536833929 1032328500 /nfs/dbraw/zinc/32/85/00/1032328500.db2.gz QNNQOIWQPQFSRS-UKRRQHHQSA-N 1 3 338.483 3.915 20 0 EHADHO C[C@@H](NCc1ccccc1N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000536860132 1032359285 /nfs/dbraw/zinc/35/92/85/1032359285.db2.gz YSYXLRNGKMCZIM-QGZVFWFLSA-N 1 3 341.499 3.544 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000536861161 1032360760 /nfs/dbraw/zinc/36/07/60/1032360760.db2.gz DAKMQLZWUZFRBB-OAGGEKHMSA-N 1 3 336.545 3.777 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660018 1032384842 /nfs/dbraw/zinc/38/48/42/1032384842.db2.gz NTODKEPYQCSCJI-SFHVURJKSA-N 1 3 348.494 3.520 20 0 EHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000449317071 1032450447 /nfs/dbraw/zinc/45/04/47/1032450447.db2.gz AMWZOZFOHMCFCC-GOSISDBHSA-N 1 3 348.494 3.520 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(F)c(Cl)c2)CC1 ZINC000449402039 1032525900 /nfs/dbraw/zinc/52/59/00/1032525900.db2.gz PJGUOPAYALUEJU-UHFFFAOYSA-N 1 3 328.859 3.710 20 0 EHADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449488789 1032645228 /nfs/dbraw/zinc/64/52/28/1032645228.db2.gz LDVBOUUSOMCJBW-MQSCRBSSSA-N 1 3 349.522 3.823 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000415052437 1017461845 /nfs/dbraw/zinc/46/18/45/1017461845.db2.gz LFLYJKDRRVYYDT-OAQYLSRUSA-N 1 3 334.467 3.501 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000655939748 1017966965 /nfs/dbraw/zinc/96/69/65/1017966965.db2.gz KOOISWSOBCYFFL-FPOVZHCZSA-N 1 3 346.515 3.537 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2ccccc2s1 ZINC000275665442 1018020085 /nfs/dbraw/zinc/02/00/85/1018020085.db2.gz BTTOOXSEOJZDDU-JCGIZDLHSA-N 1 3 344.524 3.930 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462785061 1018164947 /nfs/dbraw/zinc/16/49/47/1018164947.db2.gz JOUREWSIEQLCJG-UHFFFAOYSA-N 1 3 346.515 3.996 20 0 EHADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000340516972 1018203739 /nfs/dbraw/zinc/20/37/39/1018203739.db2.gz YAQRFARWQSZGTR-ABSDTBQOSA-N 1 3 339.483 3.651 20 0 EHADHO c1cncc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449540089 1032762290 /nfs/dbraw/zinc/76/22/90/1032762290.db2.gz XLEVCTAGAPFONS-FPOVZHCZSA-N 1 3 343.515 3.688 20 0 EHADHO c1cncc([C@@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449540089 1032762300 /nfs/dbraw/zinc/76/23/00/1032762300.db2.gz XLEVCTAGAPFONS-FPOVZHCZSA-N 1 3 343.515 3.688 20 0 EHADHO COC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000580361681 1019188197 /nfs/dbraw/zinc/18/81/97/1019188197.db2.gz GKIDYCLKZCVJQK-VQSBLYBRSA-N 1 3 342.527 3.834 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000581200029 1020512697 /nfs/dbraw/zinc/51/26/97/1020512697.db2.gz LMRWPYDYHGUSAI-GHMZBOCLSA-N 1 3 337.678 3.885 20 0 EHADHO COc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1OC(C)C ZINC000656786551 1021332916 /nfs/dbraw/zinc/33/29/16/1021332916.db2.gz UIFIFWJFKCZDIZ-GOSISDBHSA-N 1 3 346.515 3.694 20 0 EHADHO Brc1csc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785523 1021338433 /nfs/dbraw/zinc/33/84/33/1021338433.db2.gz LKBXNUCHVAPSCO-ZDUSSCGKSA-N 1 3 343.334 3.722 20 0 EHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000546227504 1021346936 /nfs/dbraw/zinc/34/69/36/1021346936.db2.gz ZAPUHCJXUKIWMO-SFHVURJKSA-N 1 3 340.515 3.704 20 0 EHADHO CSC1(CN[C@H]2CCc3ccc(F)c(Cl)c32)CC[NH+](C)CC1 ZINC000593630955 1032989209 /nfs/dbraw/zinc/98/92/09/1032989209.db2.gz YGXQOLCSODMOML-AWEZNQCLSA-N 1 3 342.911 3.883 20 0 EHADHO C[C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)CN(C)C ZINC000425917668 1022189171 /nfs/dbraw/zinc/18/91/71/1022189171.db2.gz DEOMAQHYWRTESB-HZMBPMFUSA-N 1 3 331.323 3.749 20 0 EHADHO CCc1cccc(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441409764 1022218936 /nfs/dbraw/zinc/21/89/36/1022218936.db2.gz JVSNPCYPKQFSIX-RXVVDRJESA-N 1 3 328.500 3.577 20 0 EHADHO CCc1cccc(OCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441409764 1022218942 /nfs/dbraw/zinc/21/89/42/1022218942.db2.gz JVSNPCYPKQFSIX-RXVVDRJESA-N 1 3 328.500 3.577 20 0 EHADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+]C1(CC3CCC3)CCOCC1)C2 ZINC001167977543 1022728664 /nfs/dbraw/zinc/72/86/64/1022728664.db2.gz DWRYEOTWDHYINR-IHWFROFDSA-N 1 3 332.532 3.721 20 0 EHADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000430950915 1022943661 /nfs/dbraw/zinc/94/36/61/1022943661.db2.gz SPLWMVHIRMSOLQ-QGZVFWFLSA-N 1 3 349.563 3.540 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414948032 1022971698 /nfs/dbraw/zinc/97/16/98/1022971698.db2.gz LSNPRYOWRPBPBX-IAOVAPTHSA-N 1 3 339.321 3.890 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c(C)c1OC ZINC000514089677 1024123597 /nfs/dbraw/zinc/12/35/97/1024123597.db2.gz QWAGWLFWMXGWGR-IRXDYDNUSA-N 1 3 348.531 3.797 20 0 EHADHO CCCN1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000093982055 1024134939 /nfs/dbraw/zinc/13/49/39/1024134939.db2.gz PYZXYLQQIAJBJL-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000280965539 1024498514 /nfs/dbraw/zinc/49/85/14/1024498514.db2.gz SQPVKCHWBXSNND-SQNIBIBYSA-N 1 3 348.531 3.906 20 0 EHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(N)CCCCCC1 ZINC000414862080 1024529594 /nfs/dbraw/zinc/52/95/94/1024529594.db2.gz UPPZOOHFEMIWTP-AWEZNQCLSA-N 1 3 337.895 3.698 20 0 EHADHO C[C@@H]1CC([NH2+]Cc2ccc3nccn3c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168031841 1024700018 /nfs/dbraw/zinc/70/00/18/1024700018.db2.gz CQVOVMZVLCRBLF-QZTJIDSGSA-N 1 3 348.494 3.866 20 0 EHADHO CCN(Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435387346 1024870126 /nfs/dbraw/zinc/87/01/26/1024870126.db2.gz ZRZHIUKTLGUQBV-HNNXBMFYSA-N 1 3 330.394 3.592 20 0 EHADHO C[NH+]1CCC(CCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346552791 1024891859 /nfs/dbraw/zinc/89/18/59/1024891859.db2.gz JBGHDJUKVBKWFD-HXUWFJFHSA-N 1 3 327.447 3.632 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000428213326 1025051157 /nfs/dbraw/zinc/05/11/57/1025051157.db2.gz RNLBLRSFCREILG-MDNUFGMLSA-N 1 3 349.522 3.905 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CNCCC[NH2+]Cc1cccnc1 ZINC000414877663 1025370814 /nfs/dbraw/zinc/37/08/14/1025370814.db2.gz MJCFUUBVKXCUNX-UHFFFAOYSA-N 1 3 337.389 3.678 20 0 EHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766123 1025478023 /nfs/dbraw/zinc/47/80/23/1025478023.db2.gz WCHLXMNTYWBJMF-MAUKXSAKSA-N 1 3 328.431 3.574 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000436246498 1025493689 /nfs/dbraw/zinc/49/36/89/1025493689.db2.gz ZBLSKEDRGAHACW-KOUHRCEDSA-N 1 3 330.516 3.802 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)cc(Cl)c1 ZINC000442873661 1025545071 /nfs/dbraw/zinc/54/50/71/1025545071.db2.gz KXOZNLSJXLNMHP-CYBMUJFWSA-N 1 3 344.330 3.670 20 0 EHADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442888420 1025569933 /nfs/dbraw/zinc/56/99/33/1025569933.db2.gz GQIZTSWVXKSYAR-HXUWFJFHSA-N 1 3 331.548 3.698 20 0 EHADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Cl)c1F ZINC000442888641 1025571892 /nfs/dbraw/zinc/57/18/92/1025571892.db2.gz GUQVTHILNGYLMH-MRXNPFEDSA-N 1 3 341.902 3.546 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@@H](C)O1 ZINC000530318995 1025628238 /nfs/dbraw/zinc/62/82/38/1025628238.db2.gz ZNNYODFWZFACTQ-HUUCEWRRSA-N 1 3 326.431 3.603 20 0 EHADHO CC[NH2+]CC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000347203933 1025647414 /nfs/dbraw/zinc/64/74/14/1025647414.db2.gz LBPJEBBHNCBOHK-UHFFFAOYSA-N 1 3 335.923 3.762 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000347229237 1025696812 /nfs/dbraw/zinc/69/68/12/1025696812.db2.gz KPMRKFRJCQTKTH-IXDOHACOSA-N 1 3 331.504 3.728 20 0 EHADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000611587860 1025932616 /nfs/dbraw/zinc/93/26/16/1025932616.db2.gz WZDZZPYKDVWNJS-UJMXGEILSA-N 1 3 330.541 3.771 20 0 EHADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000531178191 1026672555 /nfs/dbraw/zinc/67/25/55/1026672555.db2.gz FGVZLXJVXVSUIS-IRXDYDNUSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@H]1C[NH+](CCC2CCN(Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000531178191 1026672559 /nfs/dbraw/zinc/67/25/59/1026672559.db2.gz FGVZLXJVXVSUIS-IRXDYDNUSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000531416712 1026911352 /nfs/dbraw/zinc/91/13/52/1026911352.db2.gz CCHUVAMTLLQLIX-OTWHNJEPSA-N 1 3 330.516 3.959 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000123073100 1026948079 /nfs/dbraw/zinc/94/80/79/1026948079.db2.gz IUFWHIJEPPQPCP-PJPHBNEVSA-N 1 3 336.442 3.587 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000280761234 1027119941 /nfs/dbraw/zinc/11/99/41/1027119941.db2.gz FNAFMYGFCYJQIJ-NRFANRHFSA-N 1 3 339.483 3.653 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccncn1 ZINC000453110708 1027379794 /nfs/dbraw/zinc/37/97/94/1027379794.db2.gz OAUYWFHWZSNLRR-OAHLLOKOSA-N 1 3 344.890 3.693 20 0 EHADHO COc1ccccc1CN(CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420299418 1027448803 /nfs/dbraw/zinc/44/88/03/1027448803.db2.gz GLMRGPFQRFXLRD-INIZCTEOSA-N 1 3 330.497 3.759 20 0 EHADHO Fc1ccc(Br)cc1CN(CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420298702 1027448925 /nfs/dbraw/zinc/44/89/25/1027448925.db2.gz FUYCHORXJWQCCF-LBPRGKRZSA-N 1 3 341.268 3.552 20 0 EHADHO CC[N@H+](C[C@@H](CN)c1ccc(OC)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000420317090 1027464440 /nfs/dbraw/zinc/46/44/40/1027464440.db2.gz NBEWTEVNCGEQLK-QFBILLFUSA-N 1 3 342.483 3.829 20 0 EHADHO CC[N@@H+](C[C@@H](CN)c1ccc(OC)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000420317090 1027464445 /nfs/dbraw/zinc/46/44/45/1027464445.db2.gz NBEWTEVNCGEQLK-QFBILLFUSA-N 1 3 342.483 3.829 20 0 EHADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420316045 1027464565 /nfs/dbraw/zinc/46/45/65/1027464565.db2.gz SNDDVAUWJSTLPI-FGZHOGPDSA-N 1 3 337.511 3.686 20 0 EHADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420316045 1027464570 /nfs/dbraw/zinc/46/45/70/1027464570.db2.gz SNDDVAUWJSTLPI-FGZHOGPDSA-N 1 3 337.511 3.686 20 0 EHADHO CCC[N@H+](Cc1cccc(Br)c1C)C1CCNCC1 ZINC000420326605 1027479780 /nfs/dbraw/zinc/47/97/80/1027479780.db2.gz XPSCSEZZCWRDTH-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO CCC[N@@H+](Cc1cccc(Br)c1C)C1CCNCC1 ZINC000420326605 1027479796 /nfs/dbraw/zinc/47/97/96/1027479796.db2.gz XPSCSEZZCWRDTH-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO CCCN(Cc1cccc(Br)c1C)C1CC[NH2+]CC1 ZINC000420326605 1027479802 /nfs/dbraw/zinc/47/98/02/1027479802.db2.gz XPSCSEZZCWRDTH-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO CN(CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1Cl ZINC000420381544 1027502186 /nfs/dbraw/zinc/50/21/86/1027502186.db2.gz XSMKOZAKSFLJPK-LLVKDONJSA-N 1 3 331.685 3.534 20 0 EHADHO Fc1cc([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)ccc1Br ZINC000420374069 1027514116 /nfs/dbraw/zinc/51/41/16/1027514116.db2.gz NBTVWXDCQLSPLT-WBMJQRKESA-N 1 3 341.268 3.725 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@H](C)O1 ZINC000459324998 1027612133 /nfs/dbraw/zinc/61/21/33/1027612133.db2.gz LQJAUFHXRWXYRW-IYBDPMFKSA-N 1 3 344.490 3.633 20 0 EHADHO c1c2ccccc2oc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613364 1027629913 /nfs/dbraw/zinc/62/99/13/1027629913.db2.gz ZXSCFLRKIOGQIH-UHFFFAOYSA-N 1 3 335.451 3.830 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607473 1027793482 /nfs/dbraw/zinc/79/34/82/1027793482.db2.gz GTCBJVHUXQOZIE-JKSUJKDBSA-N 1 3 329.513 3.960 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607473 1027793500 /nfs/dbraw/zinc/79/35/00/1027793500.db2.gz GTCBJVHUXQOZIE-JKSUJKDBSA-N 1 3 329.513 3.960 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422707450 1027865186 /nfs/dbraw/zinc/86/51/86/1027865186.db2.gz ABNQARSAEYXKGG-AVYPCKFXSA-N 1 3 330.447 3.834 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422740568 1027906566 /nfs/dbraw/zinc/90/65/66/1027906566.db2.gz NRXDNFCLZYUGMH-CJNGLKHVSA-N 1 3 337.305 3.588 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000422741520 1027906912 /nfs/dbraw/zinc/90/69/12/1027906912.db2.gz OQOAPDPPGFHLOZ-VEABSNGSSA-N 1 3 343.334 3.947 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc21 ZINC000422754520 1027921337 /nfs/dbraw/zinc/92/13/37/1027921337.db2.gz GCBSJZFWGWSLAA-WOJBJXKFSA-N 1 3 340.442 3.608 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnccc1N ZINC000422775479 1027931912 /nfs/dbraw/zinc/93/19/12/1027931912.db2.gz AJNVRSBUEYXAMR-QGZVFWFLSA-N 1 3 338.499 3.721 20 0 EHADHO CCOc1cc(CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)ccc1OC ZINC000422761249 1027943385 /nfs/dbraw/zinc/94/33/85/1027943385.db2.gz QWYIVALBIKDBJX-OALUTQOASA-N 1 3 340.467 3.761 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000422799567 1027952367 /nfs/dbraw/zinc/95/23/67/1027952367.db2.gz XJRXDLUMMWSKML-OLZOCXBDSA-N 1 3 333.863 3.620 20 0 EHADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422811847 1027960716 /nfs/dbraw/zinc/96/07/16/1027960716.db2.gz PROGHWLVSGTSDD-LEWJYISDSA-N 1 3 346.478 3.568 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422838248 1027978018 /nfs/dbraw/zinc/97/80/18/1027978018.db2.gz NUDCDIYEIFXYFB-ORAYPTAESA-N 1 3 327.497 3.530 20 0 EHADHO CC[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422855262 1027990073 /nfs/dbraw/zinc/99/00/73/1027990073.db2.gz VGRBLIKEIJIFLV-QKYXUNIQSA-N 1 3 330.447 3.531 20 0 EHADHO Cc1sc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000422928726 1028058398 /nfs/dbraw/zinc/05/83/98/1028058398.db2.gz MGZAZDHMOKOHPF-SJPCQFCGSA-N 1 3 327.497 3.534 20 0 EHADHO CC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1cccc(C)c1 ZINC000422918494 1028073241 /nfs/dbraw/zinc/07/32/41/1028073241.db2.gz HKHMORYDBWLTMG-QAPCUYQASA-N 1 3 327.472 3.665 20 0 EHADHO c1ccc(COc2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000422948201 1028085628 /nfs/dbraw/zinc/08/56/28/1028085628.db2.gz QXJUOCZGGKBCHA-WCRBZPEASA-N 1 3 336.479 3.681 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccccc1C(C)C ZINC000422956127 1028093660 /nfs/dbraw/zinc/09/36/60/1028093660.db2.gz KSJGTWDXGPJCFE-OAHLLOKOSA-N 1 3 327.472 3.702 20 0 EHADHO Cc1ccn(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422987888 1028098805 /nfs/dbraw/zinc/09/88/05/1028098805.db2.gz HQOIOIHWXMSFDH-VAMGGRTRSA-N 1 3 338.499 3.581 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423013801 1028124355 /nfs/dbraw/zinc/12/43/55/1028124355.db2.gz GUUHMDIVMCXEHW-AGRHKRQWSA-N 1 3 345.874 3.683 20 0 EHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423060854 1028153690 /nfs/dbraw/zinc/15/36/90/1028153690.db2.gz PJWAUHXLTUWRPM-CZUORRHYSA-N 1 3 326.406 3.844 20 0 EHADHO CC[C@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)c(OC)c1 ZINC000423097744 1028183684 /nfs/dbraw/zinc/18/36/84/1028183684.db2.gz BHEIJPBTQIIJEB-KDOFPFPSSA-N 1 3 343.471 3.668 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104315 1028196087 /nfs/dbraw/zinc/19/60/87/1028196087.db2.gz YGGGFYGOUDMWEI-UBLBEHAFSA-N 1 3 330.422 3.759 20 0 EHADHO Cc1cc2cc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2[nH]1 ZINC000423103809 1028199347 /nfs/dbraw/zinc/19/93/47/1028199347.db2.gz GQABGJMWHKFYBJ-IRLDBZIGSA-N 1 3 347.462 3.822 20 0 EHADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1Cl ZINC000423133961 1028219786 /nfs/dbraw/zinc/21/97/86/1028219786.db2.gz LPVCMXQWCHONQE-ZIAGYGMSSA-N 1 3 345.712 3.850 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCC[C@H]3OC(F)F)CC2)C1 ZINC000503938204 1028241180 /nfs/dbraw/zinc/24/11/80/1028241180.db2.gz SHBLJYCANZXHEQ-MWQQHZPXSA-N 1 3 330.463 3.779 20 0 EHADHO CC[C@@H](NCCC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423177146 1028248305 /nfs/dbraw/zinc/24/83/05/1028248305.db2.gz AKNPKSLKUIJZCR-GFCCVEGCSA-N 1 3 339.199 3.857 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2sc(Br)cc21 ZINC000423286170 1028327133 /nfs/dbraw/zinc/32/71/33/1028327133.db2.gz ZTDRVFZIWVDDCY-ZMLRMANQSA-N 1 3 329.307 3.605 20 0 EHADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319098 1028349097 /nfs/dbraw/zinc/34/90/97/1028349097.db2.gz LOHBRNLKOIBLIA-XOBRGWDASA-N 1 3 328.431 3.793 20 0 EHADHO COc1cc(C)c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423293939 1028351530 /nfs/dbraw/zinc/35/15/30/1028351530.db2.gz SOBJLXBQTHFDDA-CABCVRRESA-N 1 3 328.456 3.883 20 0 EHADHO COCCOc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423295925 1028356251 /nfs/dbraw/zinc/35/62/51/1028356251.db2.gz XUNWCIXNUNWKIH-HOTGVXAUSA-N 1 3 328.456 3.582 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000423296783 1028356419 /nfs/dbraw/zinc/35/64/19/1028356419.db2.gz ZVPNWCJXBCKDEC-CABCVRRESA-N 1 3 326.440 3.718 20 0 EHADHO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423409606 1028425935 /nfs/dbraw/zinc/42/59/35/1028425935.db2.gz YWNQXYNLMWVFKD-YXMPFFBPSA-N 1 3 331.287 3.737 20 0 EHADHO C[C@@H](CCC[NH3+])N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423464967 1028453210 /nfs/dbraw/zinc/45/32/10/1028453210.db2.gz WERJWVVYKLCSOR-LRDDRELGSA-N 1 3 337.261 3.849 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCNCC2(F)F)CC1 ZINC000423489242 1028477913 /nfs/dbraw/zinc/47/79/13/1028477913.db2.gz XCFNRWXRESNRQI-HNNXBMFYSA-N 1 3 345.522 3.500 20 0 EHADHO CC(=O)Nc1cccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423510069 1028487398 /nfs/dbraw/zinc/48/73/98/1028487398.db2.gz RYZBMVWJDKOAQR-FOIQADDNSA-N 1 3 325.456 3.776 20 0 EHADHO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000195132657 1028584022 /nfs/dbraw/zinc/58/40/22/1028584022.db2.gz XWWUWBXZNOUXJS-MJGOQNOKSA-N 1 3 326.488 3.637 20 0 EHADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccsc3)n1)CC[NH2+]CC2 ZINC000424295903 1028938960 /nfs/dbraw/zinc/93/89/60/1028938960.db2.gz RPQZGHJDWCKDLT-CYBMUJFWSA-N 1 3 333.526 3.836 20 0 EHADHO C[C@H]1CC2(CN1Cc1nc(-c3ccccc3)cs1)CC[NH2+]CC2 ZINC000424379379 1029036391 /nfs/dbraw/zinc/03/63/91/1029036391.db2.gz OOLJCEAESKFUOF-HNNXBMFYSA-N 1 3 327.497 3.774 20 0 EHADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809531 1029261959 /nfs/dbraw/zinc/26/19/59/1029261959.db2.gz GVBQYTWADHAYOD-OLZOCXBDSA-N 1 3 345.409 3.530 20 0 EHADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC(C)C ZINC000414808915 1029279623 /nfs/dbraw/zinc/27/96/23/1029279623.db2.gz LLOBUQLYLNSOAE-HNNXBMFYSA-N 1 3 328.456 3.792 20 0 EHADHO O[C@]1(CNCc2cccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000525463905 1029859140 /nfs/dbraw/zinc/85/91/40/1029859140.db2.gz DHVMRMWSFCIISL-QHCPKHFHSA-N 1 3 346.474 3.566 20 0 EHADHO O[C@]1(CNCc2cccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000525463905 1029859149 /nfs/dbraw/zinc/85/91/49/1029859149.db2.gz DHVMRMWSFCIISL-QHCPKHFHSA-N 1 3 346.474 3.566 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)ccn1 ZINC000453285646 1030028739 /nfs/dbraw/zinc/02/87/39/1030028739.db2.gz JXKPBELFCHCDKJ-YPAWHYETSA-N 1 3 335.495 3.923 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481920941 1030121390 /nfs/dbraw/zinc/12/13/90/1030121390.db2.gz WGMCGJVUVNRFKC-COXVUDFISA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000481920941 1030121395 /nfs/dbraw/zinc/12/13/95/1030121395.db2.gz WGMCGJVUVNRFKC-COXVUDFISA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCC(C)CC1 ZINC000481975453 1030144337 /nfs/dbraw/zinc/14/43/37/1030144337.db2.gz SFJCLAAGSIIZKL-VWPQPMDRSA-N 1 3 343.559 3.607 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453381860 1030163235 /nfs/dbraw/zinc/16/32/35/1030163235.db2.gz RJDPYJBYSXJUQO-PMACEKPBSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453381860 1030163237 /nfs/dbraw/zinc/16/32/37/1030163237.db2.gz RJDPYJBYSXJUQO-PMACEKPBSA-N 1 3 334.454 3.846 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1ccc(Br)c(F)c1 ZINC000650719545 1030166702 /nfs/dbraw/zinc/16/67/02/1030166702.db2.gz UIBQKEPAOLFUCU-UHFFFAOYSA-N 1 3 337.236 3.597 20 0 EHADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000090937086 1030198189 /nfs/dbraw/zinc/19/81/89/1030198189.db2.gz PEVNMSIIYJODJQ-SFHVURJKSA-N 1 3 347.890 3.916 20 0 EHADHO COc1c(C)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698690 1031183075 /nfs/dbraw/zinc/18/30/75/1031183075.db2.gz WEDPADWDNIXKHT-UYAOXDASSA-N 1 3 328.500 3.761 20 0 EHADHO COc1c(C)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698690 1031183081 /nfs/dbraw/zinc/18/30/81/1031183081.db2.gz WEDPADWDNIXKHT-UYAOXDASSA-N 1 3 328.500 3.761 20 0 EHADHO Cc1ccccc1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132755831 1031409944 /nfs/dbraw/zinc/40/99/44/1031409944.db2.gz KPBSGSORFQDTND-UHFFFAOYSA-N 1 3 337.511 3.815 20 0 EHADHO CCN1CC[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976254 1031412443 /nfs/dbraw/zinc/41/24/43/1031412443.db2.gz ONSGDEJNGMNYEA-KGLIPLIRSA-N 1 3 328.859 3.663 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976254 1031412456 /nfs/dbraw/zinc/41/24/56/1031412456.db2.gz ONSGDEJNGMNYEA-KGLIPLIRSA-N 1 3 328.859 3.663 20 0 EHADHO Clc1ccc(CN2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000666995728 1031434061 /nfs/dbraw/zinc/43/40/61/1031434061.db2.gz XSSHMMCGUVMNLO-IBGZPJMESA-N 1 3 347.934 3.569 20 0 EHADHO COc1ccc(C2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000666995293 1031448759 /nfs/dbraw/zinc/44/87/59/1031448759.db2.gz JUNWSQDSVMWQFD-KVZIAJEVSA-N 1 3 328.500 3.986 20 0 EHADHO CCC[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)OCC ZINC000527936220 1031502683 /nfs/dbraw/zinc/50/26/83/1031502683.db2.gz XHMCHHKBNLFDAM-RXVVDRJESA-N 1 3 332.532 3.877 20 0 EHADHO CCc1nc(C)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000178033998 1031608307 /nfs/dbraw/zinc/60/83/07/1031608307.db2.gz BVEIKHQTOHRLOO-KFWWJZLASA-N 1 3 339.549 3.554 20 0 EHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000178040229 1031611249 /nfs/dbraw/zinc/61/12/49/1031611249.db2.gz CREUDSBTHGVDHZ-ZIFCJYIRSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)c2cccc(Br)c2)C1 ZINC000551898415 1031749010 /nfs/dbraw/zinc/74/90/10/1031749010.db2.gz UURNZAQZUXWGTF-GJZGRUSLSA-N 1 3 339.321 3.873 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)c2cccc(Br)c2)C1 ZINC000551898416 1031749345 /nfs/dbraw/zinc/74/93/45/1031749345.db2.gz UURNZAQZUXWGTF-HUUCEWRRSA-N 1 3 339.321 3.873 20 0 EHADHO Cc1[nH+]c2ccccc2c(N2CCC(C)(N3CCOCC3)CC2)c1C ZINC000528189584 1031867224 /nfs/dbraw/zinc/86/72/24/1031867224.db2.gz MOWVSKSMLZRYDM-UHFFFAOYSA-N 1 3 339.483 3.543 20 0 EHADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000181921491 1032042576 /nfs/dbraw/zinc/04/25/76/1032042576.db2.gz JRHIHKUZGASEFI-OAHLLOKOSA-N 1 3 325.456 3.557 20 0 EHADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449010659 1032053960 /nfs/dbraw/zinc/05/39/60/1032053960.db2.gz MKXOCXSBCYKNIZ-UHFFFAOYSA-N 1 3 333.476 3.723 20 0 EHADHO CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000594624501 1033467213 /nfs/dbraw/zinc/46/72/13/1033467213.db2.gz RLMIQUGDLWBAAY-LJQANCHMSA-N 1 3 338.536 3.739 20 0 EHADHO CC(C)OC(=O)C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000594624501 1033467221 /nfs/dbraw/zinc/46/72/21/1033467221.db2.gz RLMIQUGDLWBAAY-LJQANCHMSA-N 1 3 338.536 3.739 20 0 EHADHO C[C@@H](CSCCF)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000595037527 1033658543 /nfs/dbraw/zinc/65/85/43/1033658543.db2.gz GYIGWVJNEVHMMI-PKOBYXMFSA-N 1 3 338.536 3.970 20 0 EHADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164938 1034028322 /nfs/dbraw/zinc/02/83/22/1034028322.db2.gz GTDHVBFRRFEPLA-OAQYLSRUSA-N 1 3 339.458 3.710 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)ccn1 ZINC000658164884 1034030542 /nfs/dbraw/zinc/03/05/42/1034030542.db2.gz GJMXGAAQYRTGPA-RTWAWAEBSA-N 1 3 327.516 3.852 20 0 EHADHO COCc1csc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000658210073 1034073372 /nfs/dbraw/zinc/07/33/72/1034073372.db2.gz UVNAOCFWNSOQCE-HNNXBMFYSA-N 1 3 348.512 3.686 20 0 EHADHO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1 ZINC000120837426 1034180059 /nfs/dbraw/zinc/18/00/59/1034180059.db2.gz YYAXIDKRXIELNU-AWEZNQCLSA-N 1 3 346.446 3.755 20 0 EHADHO c1cnc2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000421832771 1034246797 /nfs/dbraw/zinc/24/67/97/1034246797.db2.gz NAJAHFAKYLLXQI-SFHVURJKSA-N 1 3 327.516 3.716 20 0 EHADHO C[N@@H+]1CC[C@@H](NCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185866 1034441769 /nfs/dbraw/zinc/44/17/69/1034441769.db2.gz QECJZTWZAVKVBQ-IFMALSPDSA-N 1 3 346.478 3.797 20 0 EHADHO C[N@H+]1CC[C@@H](NCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185866 1034441775 /nfs/dbraw/zinc/44/17/75/1034441775.db2.gz QECJZTWZAVKVBQ-IFMALSPDSA-N 1 3 346.478 3.797 20 0 EHADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc2ccccc21 ZINC000669618853 1034836638 /nfs/dbraw/zinc/83/66/38/1034836638.db2.gz KXESJEQYFFMQOV-NRFANRHFSA-N 1 3 339.527 3.907 20 0 EHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178035716 1035572336 /nfs/dbraw/zinc/57/23/36/1035572336.db2.gz VDRWWRJJYGMTRV-FUHIMQAGSA-N 1 3 346.515 3.552 20 0 EHADHO Cc1ccc(C)c2c1CCC[C@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186171242 1035595382 /nfs/dbraw/zinc/59/53/82/1035595382.db2.gz WFOXQLSWTZGLNL-GHTZIAJQSA-N 1 3 342.527 3.771 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000414177091 1035910780 /nfs/dbraw/zinc/91/07/80/1035910780.db2.gz JNKUYDBYHVCYHB-KGLIPLIRSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177091 1035910800 /nfs/dbraw/zinc/91/08/00/1035910800.db2.gz JNKUYDBYHVCYHB-KGLIPLIRSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723292 1036263295 /nfs/dbraw/zinc/26/32/95/1036263295.db2.gz UBUGZQXTSMDJLF-CWJKEVGVSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723292 1036263311 /nfs/dbraw/zinc/26/33/11/1036263311.db2.gz UBUGZQXTSMDJLF-CWJKEVGVSA-N 1 3 328.500 3.540 20 0 EHADHO COc1ccccc1S[C@@H]1CC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168389188 1036347637 /nfs/dbraw/zinc/34/76/37/1036347637.db2.gz LHBBJGKURMHTJN-GOSISDBHSA-N 1 3 346.540 3.736 20 0 EHADHO COc1ccccc1S[C@@H]1CC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168389188 1036347657 /nfs/dbraw/zinc/34/76/57/1036347657.db2.gz LHBBJGKURMHTJN-GOSISDBHSA-N 1 3 346.540 3.736 20 0 EHADHO c1ccc2c(c1)OC[C@@H](CCNC1CC[NH+](C3CCCCC3)CC1)O2 ZINC000414364671 1036996315 /nfs/dbraw/zinc/99/63/15/1036996315.db2.gz BFERUXXMHSFCCB-LJQANCHMSA-N 1 3 344.499 3.603 20 0 EHADHO c1ccc2c(c1)OC[C@@H](CC[NH2+]C1CCN(C3CCCCC3)CC1)O2 ZINC000414364671 1036996329 /nfs/dbraw/zinc/99/63/29/1036996329.db2.gz BFERUXXMHSFCCB-LJQANCHMSA-N 1 3 344.499 3.603 20 0 EHADHO CCCN(CCN1CCCCC1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415931434 1037659940 /nfs/dbraw/zinc/65/99/40/1037659940.db2.gz LWQARESGXLFLJN-UHFFFAOYSA-N 1 3 346.519 3.526 20 0 EHADHO COC[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942430 1037735978 /nfs/dbraw/zinc/73/59/78/1037735978.db2.gz ANCYQIKHGMHRPM-IAGOWNOFSA-N 1 3 326.912 3.984 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000540320430 1037793339 /nfs/dbraw/zinc/79/33/39/1037793339.db2.gz KRHXPYNNOUSAOO-OGHNNQOOSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@H]1C[C@H](NCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133233 1037795742 /nfs/dbraw/zinc/79/57/42/1037795742.db2.gz RPQGEFLRBMYXEU-PKOBYXMFSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]1C[C@H](NCCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133233 1037795762 /nfs/dbraw/zinc/79/57/62/1037795762.db2.gz RPQGEFLRBMYXEU-PKOBYXMFSA-N 1 3 342.458 3.847 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463148768 1037818173 /nfs/dbraw/zinc/81/81/73/1037818173.db2.gz HKGZUWUYHASVHF-HLAWJBBLSA-N 1 3 329.532 3.504 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000538763756 1038528808 /nfs/dbraw/zinc/52/88/08/1038528808.db2.gz UHZXNFHILUTCKQ-IYBDPMFKSA-N 1 3 336.545 3.768 20 0 EHADHO C[N@H+](CCN1CCN([C@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549425364 1038545623 /nfs/dbraw/zinc/54/56/23/1038545623.db2.gz JFCWDBGAVFHJLS-QFIPXVFZSA-N 1 3 341.543 3.625 20 0 EHADHO C[N@@H+](CCN1CCN([C@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549425364 1038545631 /nfs/dbraw/zinc/54/56/31/1038545631.db2.gz JFCWDBGAVFHJLS-QFIPXVFZSA-N 1 3 341.543 3.625 20 0 EHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccnc2ccccc21 ZINC000195270010 1038856777 /nfs/dbraw/zinc/85/67/77/1038856777.db2.gz CUCFNVNHQIQWCD-IBGZPJMESA-N 1 3 347.462 3.804 20 0 EHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1ccnc2ccccc21 ZINC000195270010 1038856796 /nfs/dbraw/zinc/85/67/96/1038856796.db2.gz CUCFNVNHQIQWCD-IBGZPJMESA-N 1 3 347.462 3.804 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000477867452 1038979492 /nfs/dbraw/zinc/97/94/92/1038979492.db2.gz UBHFMIRDSJJEPR-DUXKGJEZSA-N 1 3 336.564 3.950 20 0 EHADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000552100000 1038984067 /nfs/dbraw/zinc/98/40/67/1038984067.db2.gz ZSBCLHAAHMSUOV-QGZVFWFLSA-N 1 3 348.494 3.921 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000552265139 1039122340 /nfs/dbraw/zinc/12/23/40/1039122340.db2.gz LFVHUGMFPNNJHK-HAGHYFMRSA-N 1 3 330.541 3.772 20 0 EHADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@@H]2CCC[C@H]21 ZINC000552289909 1039141833 /nfs/dbraw/zinc/14/18/33/1039141833.db2.gz PNPQGVMWTFDFDT-SLFFLAALSA-N 1 3 345.556 3.520 20 0 EHADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@@H]2CCC[C@H]21 ZINC000552289909 1039141846 /nfs/dbraw/zinc/14/18/46/1039141846.db2.gz PNPQGVMWTFDFDT-SLFFLAALSA-N 1 3 345.556 3.520 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c(C)c1OC ZINC000552281801 1039156464 /nfs/dbraw/zinc/15/64/64/1039156464.db2.gz KFEXCNLBDKVGMY-IRXDYDNUSA-N 1 3 348.531 3.797 20 0 EHADHO CC(C)CCn1cccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000236635479 1039230040 /nfs/dbraw/zinc/23/00/40/1039230040.db2.gz HROPVZJYSAKKNO-OALUTQOASA-N 1 3 335.536 3.513 20 0 EHADHO CC(C)c1noc(CCCNC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000552562264 1039361168 /nfs/dbraw/zinc/36/11/68/1039361168.db2.gz YYRGGYZNDFCDMK-UHFFFAOYSA-N 1 3 334.508 3.512 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000549686834 1039680389 /nfs/dbraw/zinc/68/03/89/1039680389.db2.gz CIVHQEOPJTVPOK-QYZOEREBSA-N 1 3 338.536 3.743 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709010 1039763189 /nfs/dbraw/zinc/76/31/89/1039763189.db2.gz RADKRSDYXVMZRI-CRAIPNDOSA-N 1 3 327.497 3.745 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667709010 1039763197 /nfs/dbraw/zinc/76/31/97/1039763197.db2.gz RADKRSDYXVMZRI-CRAIPNDOSA-N 1 3 327.497 3.745 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc(OC(F)(F)F)ccc3F)C2)CC1 ZINC001143545180 1039888825 /nfs/dbraw/zinc/88/88/25/1039888825.db2.gz QRCXNTYXCYJGFQ-UHFFFAOYSA-N 1 3 346.368 3.642 20 0 EHADHO COc1ccc(F)c(CNC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000559282272 1040140091 /nfs/dbraw/zinc/14/00/91/1040140091.db2.gz JXFQQDSTTWKJFN-UHFFFAOYSA-N 1 3 334.479 3.967 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667786526 1040193630 /nfs/dbraw/zinc/19/36/30/1040193630.db2.gz SYZYSJGPZRXQFC-TYCQWZJGSA-N 1 3 328.500 3.718 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667786526 1040193637 /nfs/dbraw/zinc/19/36/37/1040193637.db2.gz SYZYSJGPZRXQFC-TYCQWZJGSA-N 1 3 328.500 3.718 20 0 EHADHO CCCc1cccc(CNCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000479555942 1040373703 /nfs/dbraw/zinc/37/37/03/1040373703.db2.gz UUMDPSWVODOTSB-UHFFFAOYSA-N 1 3 326.484 3.869 20 0 EHADHO c1ccc2oc(C3CC[NH+](C4CCN(CC5CC5)CC4)CC3)nc2c1 ZINC001168372378 1040767921 /nfs/dbraw/zinc/76/79/21/1040767921.db2.gz WDHITVCJRSZVHM-UHFFFAOYSA-N 1 3 339.483 3.882 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC/C=C/c1ccncc1 ZINC000487318741 1040908659 /nfs/dbraw/zinc/90/86/59/1040908659.db2.gz NIFXFUXXDLBBLK-QECFVFQBSA-N 1 3 335.495 3.841 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC/C=C/c1ccncc1 ZINC000487318741 1040908680 /nfs/dbraw/zinc/90/86/80/1040908680.db2.gz NIFXFUXXDLBBLK-QECFVFQBSA-N 1 3 335.495 3.841 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433303158 1041244273 /nfs/dbraw/zinc/24/42/73/1041244273.db2.gz ZVHPDCWXQWYNID-LJQANCHMSA-N 1 3 349.950 3.545 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433303158 1041244300 /nfs/dbraw/zinc/24/43/00/1041244300.db2.gz ZVHPDCWXQWYNID-LJQANCHMSA-N 1 3 349.950 3.545 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000429803114 1041321579 /nfs/dbraw/zinc/32/15/79/1041321579.db2.gz MBOYKXNHVWJZKH-PXNSSMCTSA-N 1 3 334.504 3.516 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000429803114 1041321591 /nfs/dbraw/zinc/32/15/91/1041321591.db2.gz MBOYKXNHVWJZKH-PXNSSMCTSA-N 1 3 334.504 3.516 20 0 EHADHO C[C@H](COCC1CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652287106 1042309979 /nfs/dbraw/zinc/30/99/79/1042309979.db2.gz NPLBCLPFGRCYTE-OTNPHJDUSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H](COCC1CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287106 1042309985 /nfs/dbraw/zinc/30/99/85/1042309985.db2.gz NPLBCLPFGRCYTE-OTNPHJDUSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CCC[NH3+] ZINC000662313257 1042681678 /nfs/dbraw/zinc/68/16/78/1042681678.db2.gz IIVPIOHBYJADHG-CZUORRHYSA-N 1 3 348.878 3.729 20 0 EHADHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1OC ZINC000162588857 1042741147 /nfs/dbraw/zinc/74/11/47/1042741147.db2.gz KPODRDMGBNQNKA-FQEVSTJZSA-N 1 3 342.483 3.877 20 0 EHADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420557 1043148025 /nfs/dbraw/zinc/14/80/25/1043148025.db2.gz KZVYEWMVJKECOI-BEFAXECRSA-N 1 3 340.458 3.752 20 0 EHADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420557 1043148030 /nfs/dbraw/zinc/14/80/30/1043148030.db2.gz KZVYEWMVJKECOI-BEFAXECRSA-N 1 3 340.458 3.752 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426776 1043176995 /nfs/dbraw/zinc/17/69/95/1043176995.db2.gz UYSKTUPOKXDHMM-CABCVRRESA-N 1 3 344.421 3.857 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426776 1043176997 /nfs/dbraw/zinc/17/69/97/1043176997.db2.gz UYSKTUPOKXDHMM-CABCVRRESA-N 1 3 344.421 3.857 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000512184135 1043742564 /nfs/dbraw/zinc/74/25/64/1043742564.db2.gz WWNGUJNFXUESSD-RTBURBONSA-N 1 3 330.516 3.625 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905103 1044839722 /nfs/dbraw/zinc/83/97/22/1044839722.db2.gz LNHWXKDMRZWBHJ-IXDOHACOSA-N 1 3 334.504 3.517 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623443668 1126957512 /nfs/dbraw/zinc/95/75/12/1126957512.db2.gz IUKUUUXXCCKQGS-CRAIPNDOSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623443668 1126957513 /nfs/dbraw/zinc/95/75/13/1126957513.db2.gz IUKUUUXXCCKQGS-CRAIPNDOSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443668 1126957515 /nfs/dbraw/zinc/95/75/15/1126957515.db2.gz IUKUUUXXCCKQGS-CRAIPNDOSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000623890066 1127211323 /nfs/dbraw/zinc/21/13/23/1127211323.db2.gz BCSHWXHMKIKIFU-UONOGXRCSA-N 1 3 325.294 3.750 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000623890066 1127211325 /nfs/dbraw/zinc/21/13/25/1127211325.db2.gz BCSHWXHMKIKIFU-UONOGXRCSA-N 1 3 325.294 3.750 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624120815 1127256012 /nfs/dbraw/zinc/25/60/12/1127256012.db2.gz HLNOQDMQTSHRHB-UONOGXRCSA-N 1 3 330.394 3.968 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)cc1 ZINC000624120409 1127255732 /nfs/dbraw/zinc/25/57/32/1127255732.db2.gz YJSPRCVUWPUQAP-KGLIPLIRSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)cc1 ZINC000624120408 1127255739 /nfs/dbraw/zinc/25/57/39/1127255739.db2.gz YJSPRCVUWPUQAP-KBPBESRZSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322941 1127372098 /nfs/dbraw/zinc/37/20/98/1127372098.db2.gz JVFZSBJMIPDOOB-IGCXYCKISA-N 1 3 345.314 3.828 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322941 1127372099 /nfs/dbraw/zinc/37/20/99/1127372099.db2.gz JVFZSBJMIPDOOB-IGCXYCKISA-N 1 3 345.314 3.828 20 0 EHADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381792235 1127492666 /nfs/dbraw/zinc/49/26/66/1127492666.db2.gz BBZGOIGWDRRGGK-ZSYWTGECSA-N 1 3 334.454 3.922 20 0 EHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980829 1127617760 /nfs/dbraw/zinc/61/77/60/1127617760.db2.gz RAVKJVASNARCHG-SFTDATJTSA-N 1 3 342.527 3.980 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCCCCC2)CC1 ZINC000061070338 1128119277 /nfs/dbraw/zinc/11/92/77/1128119277.db2.gz JFBBLUHMJFZNNP-UHFFFAOYSA-N 1 3 329.532 3.637 20 0 EHADHO CC(C)(C)OCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723291 1128131000 /nfs/dbraw/zinc/13/10/00/1128131000.db2.gz MBXZNIZIKNRWPF-NRFANRHFSA-N 1 3 330.516 3.790 20 0 EHADHO CC(C)(C)OCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723291 1128131001 /nfs/dbraw/zinc/13/10/01/1128131001.db2.gz MBXZNIZIKNRWPF-NRFANRHFSA-N 1 3 330.516 3.790 20 0 EHADHO Cc1cccc(C)c1C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000303790765 1128696626 /nfs/dbraw/zinc/69/66/26/1128696626.db2.gz UWXNXSFLOWBDBA-OALUTQOASA-N 1 3 330.516 3.625 20 0 EHADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000475279010 1128711727 /nfs/dbraw/zinc/71/17/27/1128711727.db2.gz IRXYJLNEWCAIQT-YMPZKCBVSA-N 1 3 349.522 3.823 20 0 EHADHO c1[nH]nc2c1cccc2CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000083998916 1120140592 /nfs/dbraw/zinc/14/05/92/1120140592.db2.gz BQYRMJAKUUMTSM-UHFFFAOYSA-N 1 3 334.467 3.839 20 0 EHADHO Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCN(Cc4ccccc4)C3)n2c1 ZINC001648965866 1120284115 /nfs/dbraw/zinc/28/41/15/1120284115.db2.gz VKUUFMDDDHOWQY-FQEVSTJZSA-N 1 3 348.494 3.645 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000191376774 1120670944 /nfs/dbraw/zinc/67/09/44/1120670944.db2.gz IMYKHWQBNUGICY-GOSISDBHSA-N 1 3 343.515 3.842 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000191376774 1120670947 /nfs/dbraw/zinc/67/09/47/1120670947.db2.gz IMYKHWQBNUGICY-GOSISDBHSA-N 1 3 343.515 3.842 20 0 EHADHO c1cc(CCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193253207 1120767138 /nfs/dbraw/zinc/76/71/38/1120767138.db2.gz KCOYHEYCHFPPMP-FQEVSTJZSA-N 1 3 328.500 3.504 20 0 EHADHO CC(C)N(Cc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226435818 1120808083 /nfs/dbraw/zinc/80/80/83/1120808083.db2.gz XXWMAEWFUSHXGD-OAHLLOKOSA-N 1 3 325.294 3.659 20 0 EHADHO C[NH+]1CCC(C)(CNCc2cc(Cl)ccc2Br)CC1 ZINC000227327321 1120875311 /nfs/dbraw/zinc/87/53/11/1120875311.db2.gz IKXUBCODEQNZSB-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO c1cc2cccc(CNC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)c2[nH]1 ZINC000236738114 1121462519 /nfs/dbraw/zinc/46/25/19/1121462519.db2.gz CZZCXPUUHBECAP-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2cccc(CNC[C@@H]3CC[N@H+](CCc4ccccc4)C3)c2[nH]1 ZINC000236738114 1121462521 /nfs/dbraw/zinc/46/25/21/1121462521.db2.gz CZZCXPUUHBECAP-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2cccc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)c2[nH]1 ZINC000236738114 1121462523 /nfs/dbraw/zinc/46/25/23/1121462523.db2.gz CZZCXPUUHBECAP-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126718122 1122420524 /nfs/dbraw/zinc/42/05/24/1122420524.db2.gz IDFSGVOXLXNCPW-LJQANCHMSA-N 1 3 337.511 3.593 20 0 EHADHO C[NH+]1CCC(CCNCc2c(F)cccc2OC(F)(F)F)CC1 ZINC000556385300 1122957970 /nfs/dbraw/zinc/95/79/70/1122957970.db2.gz FVDPUOLXQUGJAL-UHFFFAOYSA-N 1 3 334.357 3.546 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000132515295 1123240720 /nfs/dbraw/zinc/24/07/20/1123240720.db2.gz ULHXEKMPJYWJEL-LRDDRELGSA-N 1 3 339.405 3.552 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc(C)c1F ZINC000133180928 1123356550 /nfs/dbraw/zinc/35/65/50/1123356550.db2.gz SHTJPZAWMLPPGX-DLBZAZTESA-N 1 3 334.479 3.594 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446286 1123829745 /nfs/dbraw/zinc/82/97/45/1123829745.db2.gz ZRZMULRGKZYDFX-KKSFZXQISA-N 1 3 340.515 3.651 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446286 1123829747 /nfs/dbraw/zinc/82/97/47/1123829747.db2.gz ZRZMULRGKZYDFX-KKSFZXQISA-N 1 3 340.515 3.651 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061317 1124583689 /nfs/dbraw/zinc/58/36/89/1124583689.db2.gz OZWBNRMTVYGIFB-GOEBONIOSA-N 1 3 344.421 3.790 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061317 1124583699 /nfs/dbraw/zinc/58/36/99/1124583699.db2.gz OZWBNRMTVYGIFB-GOEBONIOSA-N 1 3 344.421 3.790 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000247880992 1124629348 /nfs/dbraw/zinc/62/93/48/1124629348.db2.gz BPSLQXDMJCCRSN-WJFTUGDTSA-N 1 3 349.588 3.839 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000247880992 1124629350 /nfs/dbraw/zinc/62/93/50/1124629350.db2.gz BPSLQXDMJCCRSN-WJFTUGDTSA-N 1 3 349.588 3.839 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248854114 1124708005 /nfs/dbraw/zinc/70/80/05/1124708005.db2.gz QPUOUZFNMJZUAC-SXLOBPIMSA-N 1 3 332.532 3.817 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248854114 1124708010 /nfs/dbraw/zinc/70/80/10/1124708010.db2.gz QPUOUZFNMJZUAC-SXLOBPIMSA-N 1 3 332.532 3.817 20 0 EHADHO Clc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c2ncccc12 ZINC000261956865 1125392413 /nfs/dbraw/zinc/39/24/13/1125392413.db2.gz XGDFCBYNZXHHQH-SFHVURJKSA-N 1 3 329.875 3.852 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1CN1CCCCC1 ZINC000182963868 1125414398 /nfs/dbraw/zinc/41/43/98/1125414398.db2.gz HONWOUJPMQTDTH-VDGAXYAQSA-N 1 3 346.515 3.635 20 0 EHADHO C(N1CCCC2(CC2)CC1)C1(C[N@@H+]2CCCC3(CC3)CC2)COC1 ZINC000626114398 1131375682 /nfs/dbraw/zinc/37/56/82/1131375682.db2.gz FIZBVURHPDMSQQ-UHFFFAOYSA-N 1 3 332.532 3.535 20 0 EHADHO C(N1CCCC2(CC2)CC1)C1(C[N@H+]2CCCC3(CC3)CC2)COC1 ZINC000626114398 1131375686 /nfs/dbraw/zinc/37/56/86/1131375686.db2.gz FIZBVURHPDMSQQ-UHFFFAOYSA-N 1 3 332.532 3.535 20 0 EHADHO C[NH+](C)CCOc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000674334886 1130067494 /nfs/dbraw/zinc/06/74/94/1130067494.db2.gz FJBNKFIVRFLGHU-UHFFFAOYSA-N 1 3 348.437 3.930 20 0 EHADHO Cc1cccn2c(CNCc3cccc(C[N@@H+](C)C(C)C)c3)cnc12 ZINC000174313042 1130350648 /nfs/dbraw/zinc/35/06/48/1130350648.db2.gz GWCNTIRTVDMPFT-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO Cc1cccn2c(CNCc3cccc(C[N@H+](C)C(C)C)c3)cnc12 ZINC000174313042 1130350651 /nfs/dbraw/zinc/35/06/51/1130350651.db2.gz GWCNTIRTVDMPFT-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172770649 1131841404 /nfs/dbraw/zinc/84/14/04/1131841404.db2.gz NJEOLVQQHGGGFJ-KRWDZBQOSA-N 1 3 338.536 3.836 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172770649 1131841412 /nfs/dbraw/zinc/84/14/12/1131841412.db2.gz NJEOLVQQHGGGFJ-KRWDZBQOSA-N 1 3 338.536 3.836 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172770649 1131841422 /nfs/dbraw/zinc/84/14/22/1131841422.db2.gz NJEOLVQQHGGGFJ-KRWDZBQOSA-N 1 3 338.536 3.836 20 0 EHADHO CCCOC1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173094349 1131951562 /nfs/dbraw/zinc/95/15/62/1131951562.db2.gz VTCJRKUHFPLHQX-UHFFFAOYSA-N 1 3 334.479 3.813 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCc3ccc(C(C)=O)cc3C2)CC1 ZINC001173113603 1131972207 /nfs/dbraw/zinc/97/22/07/1131972207.db2.gz WQZCGTLAOKGXSF-UHFFFAOYSA-N 1 3 328.500 3.900 20 0 EHADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000379902331 1132443458 /nfs/dbraw/zinc/44/34/58/1132443458.db2.gz JBVXTPWTCRQEHU-QHAWAJNXSA-N 1 3 330.516 3.836 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169281731 1132714907 /nfs/dbraw/zinc/71/49/07/1132714907.db2.gz LRXHAPXTXTVPKC-FUFFSDJGSA-N 1 3 344.499 3.617 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206012473 1132777907 /nfs/dbraw/zinc/77/79/07/1132777907.db2.gz LVLWUSPGZUMDFY-QWHCGFSZSA-N 1 3 343.284 3.703 20 0 EHADHO Cc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)c(C)s1 ZINC001177674563 1133091195 /nfs/dbraw/zinc/09/11/95/1133091195.db2.gz YYTHLAOKAOSMJJ-UHFFFAOYSA-N 1 3 332.513 3.985 20 0 EHADHO COc1cccc2c1CCC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C2 ZINC001178464363 1133171509 /nfs/dbraw/zinc/17/15/09/1133171509.db2.gz XFTABJKEJIXYHW-MJGOQNOKSA-N 1 3 330.516 3.797 20 0 EHADHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817222 1133286912 /nfs/dbraw/zinc/28/69/12/1133286912.db2.gz OYVPWMDTZXHODB-QGTPRVQTSA-N 1 3 330.472 3.984 20 0 EHADHO C[N@H+]1C[C@@H]2CC[C@H](NCc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817222 1133286916 /nfs/dbraw/zinc/28/69/16/1133286916.db2.gz OYVPWMDTZXHODB-QGTPRVQTSA-N 1 3 330.472 3.984 20 0 EHADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817222 1133286921 /nfs/dbraw/zinc/28/69/21/1133286921.db2.gz OYVPWMDTZXHODB-QGTPRVQTSA-N 1 3 330.472 3.984 20 0 EHADHO Clc1ccc2c(n1)[C@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000788801074 1134171373 /nfs/dbraw/zinc/17/13/73/1134171373.db2.gz YCVXCMQRJSULED-SJLPKXTDSA-N 1 3 341.886 3.834 20 0 EHADHO C[C@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134908 1134410584 /nfs/dbraw/zinc/41/05/84/1134410584.db2.gz DUSQKDHKQYTTAA-KVJIRVJXSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134908 1134410588 /nfs/dbraw/zinc/41/05/88/1134410588.db2.gz DUSQKDHKQYTTAA-KVJIRVJXSA-N 1 3 346.559 3.636 20 0 EHADHO CC[C@H]1C[C@H](N2CCC([N@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224526 1134722723 /nfs/dbraw/zinc/72/27/23/1134722723.db2.gz UJLODCGVAHIPAQ-RTWAWAEBSA-N 1 3 330.516 3.931 20 0 EHADHO CC[C@H]1C[C@H](N2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224526 1134722729 /nfs/dbraw/zinc/72/27/29/1134722729.db2.gz UJLODCGVAHIPAQ-RTWAWAEBSA-N 1 3 330.516 3.931 20 0 EHADHO CCc1sc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205638013 1135152918 /nfs/dbraw/zinc/15/29/18/1135152918.db2.gz KILBICYGZLQWRW-VXGBXAGGSA-N 1 3 345.350 3.880 20 0 EHADHO Cc1ccc(F)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Br ZINC001205638431 1135158423 /nfs/dbraw/zinc/15/84/23/1135158423.db2.gz NVVLSVHVSFPXFW-YPMHNXCESA-N 1 3 343.284 3.703 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806173775 1135398442 /nfs/dbraw/zinc/39/84/42/1135398442.db2.gz ZZQGTTXKCVWIRQ-MRXNPFEDSA-N 1 3 344.421 3.591 20 0 EHADHO COCc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)ccc1OC ZINC000121589943 1136040214 /nfs/dbraw/zinc/04/02/14/1136040214.db2.gz VIWVFFWAQBPJGA-IAGOWNOFSA-N 1 3 334.504 3.614 20 0 EHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202160140 1136103524 /nfs/dbraw/zinc/10/35/24/1136103524.db2.gz IDHQTJRARYFLLA-GOSISDBHSA-N 1 3 348.556 3.994 20 0 EHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC001202348404 1136127494 /nfs/dbraw/zinc/12/74/94/1136127494.db2.gz NSRLWCNTMOTXLQ-BHYGNILZSA-N 1 3 341.421 3.566 20 0 EHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC001202348404 1136127496 /nfs/dbraw/zinc/12/74/96/1136127496.db2.gz NSRLWCNTMOTXLQ-BHYGNILZSA-N 1 3 341.421 3.566 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000815071816 1136546476 /nfs/dbraw/zinc/54/64/76/1136546476.db2.gz WIVKBQZHPZEQIX-NDXORKPFSA-N 1 3 326.484 3.535 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000815071816 1136546478 /nfs/dbraw/zinc/54/64/78/1136546478.db2.gz WIVKBQZHPZEQIX-NDXORKPFSA-N 1 3 326.484 3.535 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCC3)C2)ccn1 ZINC000856605709 1136798761 /nfs/dbraw/zinc/79/87/61/1136798761.db2.gz DOJIQENWZQGEHF-HXUWFJFHSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CCC3)C2)ccn1 ZINC000856605709 1136798764 /nfs/dbraw/zinc/79/87/64/1136798764.db2.gz DOJIQENWZQGEHF-HXUWFJFHSA-N 1 3 331.504 3.565 20 0 EHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cc(Br)cs1 ZINC000817947895 1136850014 /nfs/dbraw/zinc/85/00/14/1136850014.db2.gz DXTXXABVQRWZLW-NSHDSACASA-N 1 3 339.302 3.863 20 0 EHADHO COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1SC(F)F ZINC000817969310 1136853968 /nfs/dbraw/zinc/85/39/68/1136853968.db2.gz BJLJQRLYHLJMHD-CYZMBNFOSA-N 1 3 330.444 3.930 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)c1cc(F)ccc1F ZINC000818960682 1136891282 /nfs/dbraw/zinc/89/12/82/1136891282.db2.gz GFRAVOCHEWXVAP-FQEVSTJZSA-N 1 3 348.437 3.628 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)c1cc(F)ccc1F ZINC000818960682 1136891286 /nfs/dbraw/zinc/89/12/86/1136891286.db2.gz GFRAVOCHEWXVAP-FQEVSTJZSA-N 1 3 348.437 3.628 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CNC[C@H](O)c2ccccc2)CC1 ZINC000818955906 1136895125 /nfs/dbraw/zinc/89/51/25/1136895125.db2.gz FQJGCUOCYCZKRT-QFIPXVFZSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2cccc(F)c2)CC1 ZINC000819078549 1136911061 /nfs/dbraw/zinc/91/10/61/1136911061.db2.gz JIQPICUSSUHCOI-KKSFZXQISA-N 1 3 342.458 3.674 20 0 EHADHO C[C@@H](Cc1ccccc1Br)NCC[C@H]1CCCC[NH2+]1 ZINC001246238901 1137095611 /nfs/dbraw/zinc/09/56/11/1137095611.db2.gz AWSYZGSQVNFFNP-DZGCQCFKSA-N 1 3 325.294 3.502 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccnc(Cl)c2F)C1 ZINC000823659704 1137108627 /nfs/dbraw/zinc/10/86/27/1137108627.db2.gz NYHPOJSVFFVPCF-ZIAGYGMSSA-N 1 3 327.875 3.722 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCSC(F)(F)F)CC1 ZINC000823666680 1137108802 /nfs/dbraw/zinc/10/88/02/1137108802.db2.gz PTULTJOFFMNSKG-CQSZACIVSA-N 1 3 346.462 3.925 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cccc(CN)n3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171030328 1137112934 /nfs/dbraw/zinc/11/29/34/1137112934.db2.gz LMHQOZYUOXMMTI-HZLBELHRSA-N 1 3 344.547 3.911 20 0 EHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)CC2 ZINC001171089158 1137177701 /nfs/dbraw/zinc/17/77/01/1137177701.db2.gz YPXDTLBZCNMYRW-OAHLLOKOSA-N 1 3 339.310 3.878 20 0 EHADHO Cc1cccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000866390160 1137351178 /nfs/dbraw/zinc/35/11/78/1137351178.db2.gz ZURQXKUTDMYPQH-IBGZPJMESA-N 1 3 337.511 3.823 20 0 EHADHO C[C@@H](NC1CCC(C)([NH+](C)C)CC1)c1ncc(Br)s1 ZINC000866516684 1137360687 /nfs/dbraw/zinc/36/06/87/1137360687.db2.gz SKHBCGUHGGXPHR-CDWSIMAYSA-N 1 3 346.338 3.819 20 0 EHADHO COC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716680062 1137488424 /nfs/dbraw/zinc/48/84/24/1137488424.db2.gz QGULKTJASIGMBY-UFYCRDLUSA-N 1 3 328.500 3.588 20 0 EHADHO COCCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716690732 1137488681 /nfs/dbraw/zinc/48/86/81/1137488681.db2.gz GMMCUINPYRUBBE-ZCNNSNEGSA-N 1 3 330.516 3.692 20 0 EHADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1nccs1 ZINC000716701606 1137488731 /nfs/dbraw/zinc/48/87/31/1137488731.db2.gz SCALWDOGDDXUMJ-LULLPPNCSA-N 1 3 341.524 3.889 20 0 EHADHO Cc1cccc2c1CC[C@H](N1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001171571116 1137498635 /nfs/dbraw/zinc/49/86/35/1137498635.db2.gz RPBMBWPGGRMZIX-FQEVSTJZSA-N 1 3 330.491 3.751 20 0 EHADHO Cn1c2ccccc2nc1CCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623031 1137500983 /nfs/dbraw/zinc/50/09/83/1137500983.db2.gz IBPRMJICZKGKNQ-UHFFFAOYSA-N 1 3 342.531 3.747 20 0 EHADHO CCOC(=O)C[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@H]1C ZINC001171644574 1137504969 /nfs/dbraw/zinc/50/49/69/1137504969.db2.gz FOGIBORYRQVUIR-HZPDHXFCSA-N 1 3 338.536 3.549 20 0 EHADHO CCOC(=O)C[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@H]1C ZINC001171644574 1137504971 /nfs/dbraw/zinc/50/49/71/1137504971.db2.gz FOGIBORYRQVUIR-HZPDHXFCSA-N 1 3 338.536 3.549 20 0 EHADHO CCN(CCn1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988272 1137527862 /nfs/dbraw/zinc/52/78/62/1137527862.db2.gz QQFOOQZZUUAAKX-HXUWFJFHSA-N 1 3 340.515 3.648 20 0 EHADHO CCN(CCn1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988272 1137527864 /nfs/dbraw/zinc/52/78/64/1137527864.db2.gz QQFOOQZZUUAAKX-HXUWFJFHSA-N 1 3 340.515 3.648 20 0 EHADHO NCc1ccc(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172077690 1137530830 /nfs/dbraw/zinc/53/08/30/1137530830.db2.gz VKNOXXMJPRYBSW-WKCHPHFGSA-N 1 3 336.483 3.538 20 0 EHADHO NCc1ccc(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172077690 1137530832 /nfs/dbraw/zinc/53/08/32/1137530832.db2.gz VKNOXXMJPRYBSW-WKCHPHFGSA-N 1 3 336.483 3.538 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001172099423 1137532434 /nfs/dbraw/zinc/53/24/34/1137532434.db2.gz KWXCNYNSIONWEW-QKDCVEJESA-N 1 3 328.378 3.690 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001172099422 1137532480 /nfs/dbraw/zinc/53/24/80/1137532480.db2.gz KWXCNYNSIONWEW-QDMKHBRRSA-N 1 3 328.378 3.690 20 0 EHADHO CN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062697 1137532809 /nfs/dbraw/zinc/53/28/09/1137532809.db2.gz QSNOQJLDWVWZGN-LRSLUSHPSA-N 1 3 341.543 3.646 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001172107177 1137536882 /nfs/dbraw/zinc/53/68/82/1137536882.db2.gz UCLQJQSZPBBQLT-ZSBIGDGJSA-N 1 3 329.307 3.616 20 0 EHADHO FC1CCN(C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)CC1 ZINC001172206559 1137541117 /nfs/dbraw/zinc/54/11/17/1137541117.db2.gz RLZVDWSPMVCEDD-GOSISDBHSA-N 1 3 334.504 3.602 20 0 EHADHO CC(C)C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1 ZINC000873247459 1137595328 /nfs/dbraw/zinc/59/53/28/1137595328.db2.gz NAVGUJHCZHOMRY-NRFANRHFSA-N 1 3 349.482 3.603 20 0 EHADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000873292103 1137596755 /nfs/dbraw/zinc/59/67/55/1137596755.db2.gz ZISXVPFYAUHQBB-TZMCWYRMSA-N 1 3 343.298 3.803 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(-c4ncco4)cc3F)CC2)CC1 ZINC000879250918 1137742612 /nfs/dbraw/zinc/74/26/12/1137742612.db2.gz MMGJINHFGYDIKN-UHFFFAOYSA-N 1 3 343.446 3.789 20 0 EHADHO CN1CC[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573714 1137751595 /nfs/dbraw/zinc/75/15/95/1137751595.db2.gz QAMCEQONTCRNMF-NVXWUHKLSA-N 1 3 326.406 3.664 20 0 EHADHO CN1CC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573714 1137751596 /nfs/dbraw/zinc/75/15/96/1137751596.db2.gz QAMCEQONTCRNMF-NVXWUHKLSA-N 1 3 326.406 3.664 20 0 EHADHO Clc1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001137168898 1137816005 /nfs/dbraw/zinc/81/60/05/1137816005.db2.gz VGPVRRRQMLSJKR-UHFFFAOYSA-N 1 3 341.886 3.833 20 0 EHADHO Cc1cccc2c1ncc(C)c2N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726140 1137832585 /nfs/dbraw/zinc/83/25/85/1137832585.db2.gz LFYKUGGEDUNBPD-GOSISDBHSA-N 1 3 339.483 3.589 20 0 EHADHO COc1nc2ccccc2cc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001137205559 1137932776 /nfs/dbraw/zinc/93/27/76/1137932776.db2.gz GMZWJCNWQNUIME-UHFFFAOYSA-N 1 3 341.499 3.796 20 0 EHADHO CC(C)[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517455 1138088755 /nfs/dbraw/zinc/08/87/55/1138088755.db2.gz DTWSDADWMUDUAU-FPOVZHCZSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517455 1138088758 /nfs/dbraw/zinc/08/87/58/1138088758.db2.gz DTWSDADWMUDUAU-FPOVZHCZSA-N 1 3 340.515 3.619 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccc(Cl)c1Cl ZINC000128265970 1138384436 /nfs/dbraw/zinc/38/44/36/1138384436.db2.gz XAIVFWMNPMTLOS-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cccc(Cl)c1Cl ZINC000128265970 1138384441 /nfs/dbraw/zinc/38/44/41/1138384441.db2.gz XAIVFWMNPMTLOS-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO CSc1ccccc1NC(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000264208036 1138443124 /nfs/dbraw/zinc/44/31/24/1138443124.db2.gz LSIDDLVPHPMZIB-UHFFFAOYSA-N 1 3 349.544 3.542 20 0 EHADHO COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1SC ZINC000134882133 1138710037 /nfs/dbraw/zinc/71/00/37/1138710037.db2.gz HKUABMWXJMNKKO-SJLPKXTDSA-N 1 3 346.540 3.866 20 0 EHADHO COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1SC ZINC000134882133 1138710038 /nfs/dbraw/zinc/71/00/38/1138710038.db2.gz HKUABMWXJMNKKO-SJLPKXTDSA-N 1 3 346.540 3.866 20 0 EHADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000338458890 1138924529 /nfs/dbraw/zinc/92/45/29/1138924529.db2.gz ZWFZMUZVOFRKIC-SFHVURJKSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000338458890 1138924532 /nfs/dbraw/zinc/92/45/32/1138924532.db2.gz ZWFZMUZVOFRKIC-SFHVURJKSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(-c2ccnn2C)c1 ZINC000338458890 1138924536 /nfs/dbraw/zinc/92/45/36/1138924536.db2.gz ZWFZMUZVOFRKIC-SFHVURJKSA-N 1 3 340.515 3.606 20 0 EHADHO CCC[C@@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000180075042 1139807768 /nfs/dbraw/zinc/80/77/68/1139807768.db2.gz LGFLCZGWZVDQPD-VXKWHMMOSA-N 1 3 343.559 3.672 20 0 EHADHO CCC[C@@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075042 1139807775 /nfs/dbraw/zinc/80/77/75/1139807775.db2.gz LGFLCZGWZVDQPD-VXKWHMMOSA-N 1 3 343.559 3.672 20 0 EHADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000182108851 1139951244 /nfs/dbraw/zinc/95/12/44/1139951244.db2.gz FROJBJZDJKOOGV-HNNXBMFYSA-N 1 3 329.488 3.703 20 0 EHADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192786179 1140550362 /nfs/dbraw/zinc/55/03/62/1140550362.db2.gz VWZRHIUHKKSXOK-IBGZPJMESA-N 1 3 347.547 3.541 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccnn1C ZINC000192843018 1140552708 /nfs/dbraw/zinc/55/27/08/1140552708.db2.gz ACOJMAZRIMJZCK-HNNXBMFYSA-N 1 3 346.906 3.636 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000194415465 1140608826 /nfs/dbraw/zinc/60/88/26/1140608826.db2.gz PMOPYXSCOOMZKX-UHFFFAOYSA-N 1 3 333.501 3.957 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000268809963 1140997594 /nfs/dbraw/zinc/99/75/94/1140997594.db2.gz AUKJGUPIYWUBGV-MRXNPFEDSA-N 1 3 338.499 3.848 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000268809963 1140997599 /nfs/dbraw/zinc/99/75/99/1140997599.db2.gz AUKJGUPIYWUBGV-MRXNPFEDSA-N 1 3 338.499 3.848 20 0 EHADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835584 1141004892 /nfs/dbraw/zinc/00/48/92/1141004892.db2.gz RXHASIMEZNGCGP-ZIAGYGMSSA-N 1 3 342.405 3.763 20 0 EHADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835584 1141004902 /nfs/dbraw/zinc/00/49/02/1141004902.db2.gz RXHASIMEZNGCGP-ZIAGYGMSSA-N 1 3 342.405 3.763 20 0 EHADHO Cc1nccn1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268891078 1141018445 /nfs/dbraw/zinc/01/84/45/1141018445.db2.gz MRYQDOZDTHSGRT-NQIIRXRSSA-N 1 3 340.515 3.614 20 0 EHADHO Fc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1C(F)(F)F ZINC000270262597 1141199484 /nfs/dbraw/zinc/19/94/84/1141199484.db2.gz UKKUZKHSWVKSEZ-UHFFFAOYSA-N 1 3 330.369 3.951 20 0 EHADHO Cc1ccccc1[C@H](C)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270921410 1141283052 /nfs/dbraw/zinc/28/30/52/1141283052.db2.gz PBZCMIBSBKRSPR-IBGZPJMESA-N 1 3 329.532 3.546 20 0 EHADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271457326 1141371859 /nfs/dbraw/zinc/37/18/59/1141371859.db2.gz FMZPUEZMNLGZFI-PCCBWWKXSA-N 1 3 330.516 3.668 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC)cc1 ZINC000271558770 1141397289 /nfs/dbraw/zinc/39/72/89/1141397289.db2.gz WHSGTPMJZQVNJT-PWRODBHTSA-N 1 3 346.515 3.504 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386662 1125479010 /nfs/dbraw/zinc/47/90/10/1125479010.db2.gz NZUGPZGTKVBAJK-SMOSDQRPSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386662 1125479012 /nfs/dbraw/zinc/47/90/12/1125479012.db2.gz NZUGPZGTKVBAJK-SMOSDQRPSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386662 1125479014 /nfs/dbraw/zinc/47/90/14/1125479014.db2.gz NZUGPZGTKVBAJK-SMOSDQRPSA-N 1 3 349.950 3.795 20 0 EHADHO CCc1nocc1CNCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000339278108 1014147351 /nfs/dbraw/zinc/14/73/51/1014147351.db2.gz WYPULNHELLPJJJ-UHFFFAOYSA-N 1 3 339.439 3.752 20 0 EHADHO CCc1nocc1CNCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000339278108 1014147357 /nfs/dbraw/zinc/14/73/57/1014147357.db2.gz WYPULNHELLPJJJ-UHFFFAOYSA-N 1 3 339.439 3.752 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000579699584 1014229846 /nfs/dbraw/zinc/22/98/46/1014229846.db2.gz VZXPZRQTKBJPIN-BLVKFPJESA-N 1 3 331.410 3.855 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606397 1015058034 /nfs/dbraw/zinc/05/80/34/1015058034.db2.gz FTEAZDBRHZLFCD-IEBWSBKVSA-N 1 3 336.907 3.663 20 0 EHADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606397 1015058047 /nfs/dbraw/zinc/05/80/47/1015058047.db2.gz FTEAZDBRHZLFCD-IEBWSBKVSA-N 1 3 336.907 3.663 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)c(Br)c1 ZINC000624119494 1016478917 /nfs/dbraw/zinc/47/89/17/1016478917.db2.gz CUYHJTZMGFYAPV-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624120816 1016607433 /nfs/dbraw/zinc/60/74/33/1016607433.db2.gz HLNOQDMQTSHRHB-ZIAGYGMSSA-N 1 3 330.394 3.968 20 0 EHADHO Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311514598 1016801327 /nfs/dbraw/zinc/80/13/27/1016801327.db2.gz HZOSZNQNFNRNQX-FXAWDEMLSA-N 1 3 348.494 3.643 20 0 EHADHO CC(C)N(C)C[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001167259313 1016838922 /nfs/dbraw/zinc/83/89/22/1016838922.db2.gz PRCQAYUUKNCOTI-KRWDZBQOSA-N 1 3 346.437 3.617 20 0 EHADHO CC(C)N(C)C[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001167259313 1016838935 /nfs/dbraw/zinc/83/89/35/1016838935.db2.gz PRCQAYUUKNCOTI-KRWDZBQOSA-N 1 3 346.437 3.617 20 0 EHADHO CC[C@@H]1CN(CCCCn2ccnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000183752781 1032200762 /nfs/dbraw/zinc/20/07/62/1032200762.db2.gz BCQBXZXYXXERIC-OAQYLSRUSA-N 1 3 340.515 3.568 20 0 EHADHO CC[C@@H]1CN(CCCCn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000183752781 1032200778 /nfs/dbraw/zinc/20/07/78/1032200778.db2.gz BCQBXZXYXXERIC-OAQYLSRUSA-N 1 3 340.515 3.568 20 0 EHADHO FC(F)(F)[C@@H](CNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459564007 1032291704 /nfs/dbraw/zinc/29/17/04/1032291704.db2.gz PLNJWDRCKPLGRM-OAHLLOKOSA-N 1 3 326.406 3.624 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCSCC(F)(F)F)CC2)C1 ZINC000536833910 1032327585 /nfs/dbraw/zinc/32/75/85/1032327585.db2.gz QNNQOIWQPQFSRS-DZGCQCFKSA-N 1 3 338.483 3.915 20 0 EHADHO CC[C@@H](CNC1CC[NH+](CC)CC1)Oc1ccccc1C(F)(F)F ZINC000537059578 1032497113 /nfs/dbraw/zinc/49/71/13/1032497113.db2.gz OPPDONBHMPHJFX-HNNXBMFYSA-N 1 3 344.421 3.937 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000090524527 1032582294 /nfs/dbraw/zinc/58/22/94/1032582294.db2.gz WSRRCYJZTPOVFN-JVPBZIDWSA-N 1 3 336.907 3.759 20 0 EHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000091286476 1032681543 /nfs/dbraw/zinc/68/15/43/1032681543.db2.gz AKZAFRARYMHYRB-SJORKVTESA-N 1 3 328.504 3.879 20 0 EHADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000091286476 1032681560 /nfs/dbraw/zinc/68/15/60/1032681560.db2.gz AKZAFRARYMHYRB-SJORKVTESA-N 1 3 328.504 3.879 20 0 EHADHO CC(C)Oc1cccc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655690845 1017398089 /nfs/dbraw/zinc/39/80/89/1017398089.db2.gz MBFPRJWDNHDBQQ-UWJYYQICSA-N 1 3 346.515 3.768 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415071568 1017514852 /nfs/dbraw/zinc/51/48/52/1017514852.db2.gz WOLFRCAHEHJBJF-KXBFYZLASA-N 1 3 331.504 3.634 20 0 EHADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415088641 1017538800 /nfs/dbraw/zinc/53/88/00/1017538800.db2.gz WLGHCXKYTZLVJM-OGWHTMIXSA-N 1 3 347.934 3.819 20 0 EHADHO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000574100175 1032719572 /nfs/dbraw/zinc/71/95/72/1032719572.db2.gz NGLNZRFHPHABOA-XIRDDKMYSA-N 1 3 332.488 3.937 20 0 EHADHO COc1ccc(-c2ccncc2)cc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000580301721 1017728355 /nfs/dbraw/zinc/72/83/55/1017728355.db2.gz KFSOJSJENOXSBB-FTRWYGJKSA-N 1 3 339.483 3.562 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2conc2Cc2ccccc2)CC1 ZINC000508781247 1032766273 /nfs/dbraw/zinc/76/62/73/1032766273.db2.gz XSYWBPRNOMFWKW-UHFFFAOYSA-N 1 3 341.499 3.819 20 0 EHADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576398349 1018930090 /nfs/dbraw/zinc/93/00/90/1018930090.db2.gz DNJKLCVPPVPIBV-NRFANRHFSA-N 1 3 341.543 3.648 20 0 EHADHO CC[NH+]1CCC(CN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000580600556 1019723037 /nfs/dbraw/zinc/72/30/37/1019723037.db2.gz OUCGRLRXGOEKAP-HXUWFJFHSA-N 1 3 327.447 3.632 20 0 EHADHO Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1F ZINC000434009981 1019871032 /nfs/dbraw/zinc/87/10/32/1019871032.db2.gz DIRUTZVDFAZHFZ-ICSRJNTNSA-N 1 3 327.447 3.654 20 0 EHADHO Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1F ZINC000434009981 1019871051 /nfs/dbraw/zinc/87/10/51/1019871051.db2.gz DIRUTZVDFAZHFZ-ICSRJNTNSA-N 1 3 327.447 3.654 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000513678618 1019928395 /nfs/dbraw/zinc/92/83/95/1019928395.db2.gz PWGVSXIBMNIHTM-KBMXLJTQSA-N 1 3 342.405 3.547 20 0 EHADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501056743 1020676110 /nfs/dbraw/zinc/67/61/10/1020676110.db2.gz BAXFALAXJXBVDM-GOSISDBHSA-N 1 3 343.515 3.808 20 0 EHADHO Brc1ccsc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782012 1021320699 /nfs/dbraw/zinc/32/06/99/1021320699.db2.gz CNJYNYRGTKNJPP-ZDUSSCGKSA-N 1 3 343.334 3.722 20 0 EHADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976687 1022407762 /nfs/dbraw/zinc/40/77/62/1022407762.db2.gz SAEHGRVILLDCRZ-NXHRZFHOSA-N 1 3 340.471 3.509 20 0 EHADHO CC[NH2+]CC1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000131508887 1022592866 /nfs/dbraw/zinc/59/28/66/1022592866.db2.gz NEMIEPUJQMMSHZ-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000517766739 1022646660 /nfs/dbraw/zinc/64/66/60/1022646660.db2.gz YOKPKXPFQFPFQY-AEGPPILISA-N 1 3 343.298 3.835 20 0 EHADHO FC(F)Oc1ccc(Cl)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430924980 1022886518 /nfs/dbraw/zinc/88/65/18/1022886518.db2.gz CCYPOTYNUHAXRI-UHFFFAOYSA-N 1 3 330.806 3.517 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341679051 1022968055 /nfs/dbraw/zinc/96/80/55/1022968055.db2.gz AAVDLMGTRYVKLH-YRNRMSPPSA-N 1 3 334.479 3.682 20 0 EHADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000438987699 1023195257 /nfs/dbraw/zinc/19/52/57/1023195257.db2.gz UUSAVYTVQJBTOC-LIRRHRJNSA-N 1 3 349.519 3.671 20 0 EHADHO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481578 1023476082 /nfs/dbraw/zinc/47/60/82/1023476082.db2.gz PGFDQHSTHKFTAK-CBQOVEMMSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H]1CN(CCC2CC[NH+](CCc3ccccc3F)CC2)C[C@H](C)O1 ZINC000469234003 1023971970 /nfs/dbraw/zinc/97/19/70/1023971970.db2.gz JSCXTAWYLUNTAK-ROUUACIJSA-N 1 3 348.506 3.580 20 0 EHADHO C[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644557 1023985477 /nfs/dbraw/zinc/98/54/77/1023985477.db2.gz IVGXVWSQHJTHGQ-QUCCMNQESA-N 1 3 331.548 3.559 20 0 EHADHO C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644557 1023985481 /nfs/dbraw/zinc/98/54/81/1023985481.db2.gz IVGXVWSQHJTHGQ-QUCCMNQESA-N 1 3 331.548 3.559 20 0 EHADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000514603321 1024598650 /nfs/dbraw/zinc/59/86/50/1024598650.db2.gz CFUXGPIGDLFVBW-QGZVFWFLSA-N 1 3 336.357 3.821 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000536424788 1024681072 /nfs/dbraw/zinc/68/10/72/1024681072.db2.gz VNUZGVFYBAQPMM-QFIPXVFZSA-N 1 3 343.559 3.805 20 0 EHADHO CCOC(=O)CC1(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168032865 1024750514 /nfs/dbraw/zinc/75/05/14/1024750514.db2.gz IKEBLDUHKOKXAL-IZZQQSIFSA-N 1 3 344.499 3.503 20 0 EHADHO CCOC(=O)CC1(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168032865 1024750527 /nfs/dbraw/zinc/75/05/27/1024750527.db2.gz IKEBLDUHKOKXAL-IZZQQSIFSA-N 1 3 344.499 3.503 20 0 EHADHO CCN(Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435381661 1024863396 /nfs/dbraw/zinc/86/33/96/1024863396.db2.gz VFLNWPRBPFVHCO-FQEVSTJZSA-N 1 3 339.483 3.625 20 0 EHADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000414872866 1025100370 /nfs/dbraw/zinc/10/03/70/1025100370.db2.gz GJZOUGXUWYLMBY-RUASWUHUSA-N 1 3 342.527 3.801 20 0 EHADHO CC(C)[C@@H](C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000474596936 1025180981 /nfs/dbraw/zinc/18/09/81/1025180981.db2.gz HWYWSVGWPSUYAH-SFHLNBCPSA-N 1 3 332.532 3.905 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709804 1025436330 /nfs/dbraw/zinc/43/63/30/1025436330.db2.gz BCXZALKIUZPMSB-IXDOHACOSA-N 1 3 325.500 3.593 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709804 1025436339 /nfs/dbraw/zinc/43/63/39/1025436339.db2.gz BCXZALKIUZPMSB-IXDOHACOSA-N 1 3 325.500 3.593 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657364451 1025544108 /nfs/dbraw/zinc/54/41/08/1025544108.db2.gz VQPCGMUICGTJNM-YJBOKZPZSA-N 1 3 347.528 3.523 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657364451 1025544128 /nfs/dbraw/zinc/54/41/28/1025544128.db2.gz VQPCGMUICGTJNM-YJBOKZPZSA-N 1 3 347.528 3.523 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044109 1025815757 /nfs/dbraw/zinc/81/57/57/1025815757.db2.gz FIDIUTVCIBJWEL-ZVXZJYCBSA-N 1 3 328.500 3.539 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044109 1025815780 /nfs/dbraw/zinc/81/57/80/1025815780.db2.gz FIDIUTVCIBJWEL-ZVXZJYCBSA-N 1 3 328.500 3.539 20 0 EHADHO C[C@@H]1C[C@@H](N2CC3(C2)CCOCC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168052414 1025968438 /nfs/dbraw/zinc/96/84/38/1025968438.db2.gz KTLOPGUURRKWGD-OPVJXMOQSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1C[C@@H](N2CC3(C2)CCOCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168052414 1025968444 /nfs/dbraw/zinc/96/84/44/1025968444.db2.gz KTLOPGUURRKWGD-OPVJXMOQSA-N 1 3 328.500 3.540 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000249375768 1124753096 /nfs/dbraw/zinc/75/30/96/1124753096.db2.gz JTSKNFQXFNVEED-NEPJUHHUSA-N 1 3 329.257 3.581 20 0 EHADHO Cc1ccc2nccc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000302231632 1027100274 /nfs/dbraw/zinc/10/02/74/1027100274.db2.gz SEPZAFDMAMEFGX-SFHVURJKSA-N 1 3 339.483 3.624 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@@H](C)C1 ZINC000531708696 1027231994 /nfs/dbraw/zinc/23/19/94/1027231994.db2.gz LFTJCTCFAJHVKC-LPHOPBHVSA-N 1 3 331.504 3.613 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CCN1C ZINC000453122593 1027399696 /nfs/dbraw/zinc/39/96/96/1027399696.db2.gz QJFVCUUPQFWIRQ-FYKMYLNBSA-N 1 3 341.543 3.502 20 0 EHADHO [NH3+]C[C@H](NCCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000420368258 1027494852 /nfs/dbraw/zinc/49/48/52/1027494852.db2.gz NLLJVKSJZVFTGK-FQEVSTJZSA-N 1 3 339.483 3.666 20 0 EHADHO CC(C)OC1CC(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000459352223 1027818813 /nfs/dbraw/zinc/81/88/13/1027818813.db2.gz HFMWJJAMRFIZAC-HRTMPFAESA-N 1 3 342.527 3.931 20 0 EHADHO CC(C)OC1CC(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000459352223 1027818830 /nfs/dbraw/zinc/81/88/30/1027818830.db2.gz HFMWJJAMRFIZAC-HRTMPFAESA-N 1 3 342.527 3.931 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1)c1cnccc1N ZINC000422749075 1027913790 /nfs/dbraw/zinc/91/37/90/1027913790.db2.gz XKGXTBKEQSFLNM-QAPCUYQASA-N 1 3 344.528 3.679 20 0 EHADHO c1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422747224 1027914538 /nfs/dbraw/zinc/91/45/38/1027914538.db2.gz PNLGODHGBPLQMT-MJUUVYJYSA-N 1 3 327.516 3.556 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCCCCC1 ZINC000422755247 1027924036 /nfs/dbraw/zinc/92/40/36/1027924036.db2.gz GMONKABZMZSLLI-TZIWHRDSSA-N 1 3 344.499 3.571 20 0 EHADHO CCOc1cc(CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OC ZINC000422761248 1027941434 /nfs/dbraw/zinc/94/14/34/1027941434.db2.gz QWYIVALBIKDBJX-MOPGFXCFSA-N 1 3 340.467 3.761 20 0 EHADHO COc1ccc2cc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)ccc2c1 ZINC000422799144 1027950735 /nfs/dbraw/zinc/95/07/35/1027950735.db2.gz VKLWENIEULCZJJ-AWEZNQCLSA-N 1 3 335.451 3.861 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000422833394 1027973639 /nfs/dbraw/zinc/97/36/39/1027973639.db2.gz GRMGZXFBROIWBM-NIKGAXFTSA-N 1 3 327.859 3.653 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cnccc1N ZINC000422852757 1027991024 /nfs/dbraw/zinc/99/10/24/1027991024.db2.gz BGAZLVDGNKPRDQ-IRXDYDNUSA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnccc1N ZINC000422852757 1027991039 /nfs/dbraw/zinc/99/10/39/1027991039.db2.gz BGAZLVDGNKPRDQ-IRXDYDNUSA-N 1 3 338.499 3.577 20 0 EHADHO CC[NH+](CC)CCOC1CCN(CCc2cccc(Cl)c2)CC1 ZINC000459365796 1027993755 /nfs/dbraw/zinc/99/37/55/1027993755.db2.gz XMMVECBBUSBAEW-UHFFFAOYSA-N 1 3 338.923 3.705 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnccc1N ZINC000422858743 1027995042 /nfs/dbraw/zinc/99/50/42/1027995042.db2.gz JCRQCIPQTFWMHA-IAGOWNOFSA-N 1 3 338.499 3.719 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnccc1N ZINC000422858743 1027995067 /nfs/dbraw/zinc/99/50/67/1027995067.db2.gz JCRQCIPQTFWMHA-IAGOWNOFSA-N 1 3 338.499 3.719 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862048 1027996795 /nfs/dbraw/zinc/99/67/95/1027996795.db2.gz NHFDURAHNAEREB-NCXUSEDFSA-N 1 3 335.561 3.641 20 0 EHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000422884070 1028015853 /nfs/dbraw/zinc/01/58/53/1028015853.db2.gz RPJWDJKDFPAZOT-XYPWUTKMSA-N 1 3 337.305 3.599 20 0 EHADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422885913 1028018748 /nfs/dbraw/zinc/01/87/48/1028018748.db2.gz ZLMJATRBIPXZNY-NUJGCVRESA-N 1 3 335.923 3.582 20 0 EHADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422898321 1028035204 /nfs/dbraw/zinc/03/52/04/1028035204.db2.gz LVXPXQSCHRBNDP-CQSZACIVSA-N 1 3 347.890 3.930 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccccc1C(C)(C)C ZINC000422961064 1028097214 /nfs/dbraw/zinc/09/72/14/1028097214.db2.gz YKBQPGOBTGVINX-HNNXBMFYSA-N 1 3 341.499 3.876 20 0 EHADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423009734 1028122106 /nfs/dbraw/zinc/12/21/06/1028122106.db2.gz DOZBBBKZLRYKQH-ONCXSQPRSA-N 1 3 345.506 3.695 20 0 EHADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011477 1028123790 /nfs/dbraw/zinc/12/37/90/1028123790.db2.gz IUDDJZROTULAAI-XJKSGUPXSA-N 1 3 335.904 3.723 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011477 1028123797 /nfs/dbraw/zinc/12/37/97/1028123797.db2.gz IUDDJZROTULAAI-XJKSGUPXSA-N 1 3 335.904 3.723 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1N1CCCCC1 ZINC000423040805 1028147418 /nfs/dbraw/zinc/14/74/18/1028147418.db2.gz IAFJHSWOMUPHMJ-MRXNPFEDSA-N 1 3 338.499 3.690 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423053553 1028165190 /nfs/dbraw/zinc/16/51/90/1028165190.db2.gz AQNGSBWXQOTGOD-XHDPSFHLSA-N 1 3 330.369 3.593 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423053550 1028165442 /nfs/dbraw/zinc/16/54/42/1028165442.db2.gz AQNGSBWXQOTGOD-ABAIWWIYSA-N 1 3 330.369 3.593 20 0 EHADHO FC(F)(F)c1ccnc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423136504 1028219710 /nfs/dbraw/zinc/21/97/10/1028219710.db2.gz PGXHXTZERMNNDC-YESZJQIVSA-N 1 3 341.421 3.543 20 0 EHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cc(C(F)(F)F)ccn1 ZINC000423137437 1028223156 /nfs/dbraw/zinc/22/31/56/1028223156.db2.gz QWHFBSZIQMMSRN-HIFRSBDPSA-N 1 3 329.410 3.543 20 0 EHADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423221734 1028291815 /nfs/dbraw/zinc/29/18/15/1028291815.db2.gz XVPJVXJIQZVDGM-NOLJZWGESA-N 1 3 325.294 3.878 20 0 EHADHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C(=O)OC)cc1 ZINC000423289131 1028328870 /nfs/dbraw/zinc/32/88/70/1028328870.db2.gz AJPSUKWULNRZJR-IFXJQAMLSA-N 1 3 326.440 3.734 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(N2CCCC2=O)c1 ZINC000423292132 1028328933 /nfs/dbraw/zinc/32/89/33/1028328933.db2.gz LNGGFXTULDEAME-JKSUJKDBSA-N 1 3 337.467 3.684 20 0 EHADHO NC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C2CC3CC(C2)CC1C3 ZINC000423528656 1028484747 /nfs/dbraw/zinc/48/47/47/1028484747.db2.gz ORVKRUJWDISPLD-KRYHWFLUSA-N 1 3 330.903 3.550 20 0 EHADHO [NH3+]C1(CN[C@@H]2Cc3ccc(Cl)cc3C2)C2CC3CC(C2)CC1C3 ZINC000423528656 1028484759 /nfs/dbraw/zinc/48/47/59/1028484759.db2.gz ORVKRUJWDISPLD-KRYHWFLUSA-N 1 3 330.903 3.550 20 0 EHADHO c1ccc(COc2ccccc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414765439 1028677612 /nfs/dbraw/zinc/67/76/12/1028677612.db2.gz FZQJAOHLJKIDRV-BGYRXZFFSA-N 1 3 336.479 3.697 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000247242940 1028762247 /nfs/dbraw/zinc/76/22/47/1028762247.db2.gz ZCCLQAPLSFEVLR-SJORKVTESA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247242940 1028762261 /nfs/dbraw/zinc/76/22/61/1028762261.db2.gz ZCCLQAPLSFEVLR-SJORKVTESA-N 1 3 326.488 3.563 20 0 EHADHO c1sc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781043 1028943778 /nfs/dbraw/zinc/94/37/78/1028943778.db2.gz MJQKNWWUKGIDSH-SJORKVTESA-N 1 3 327.497 3.632 20 0 EHADHO Cc1csc([C@@H]2CCCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277287 1028950281 /nfs/dbraw/zinc/95/02/81/1028950281.db2.gz BYNPEIAFUIXEQW-CVEARBPZSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@@H]2CCC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277287 1028950297 /nfs/dbraw/zinc/95/02/97/1028950297.db2.gz BYNPEIAFUIXEQW-CVEARBPZSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@@H]2CCC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277287 1028950314 /nfs/dbraw/zinc/95/03/14/1028950314.db2.gz BYNPEIAFUIXEQW-CVEARBPZSA-N 1 3 333.476 3.513 20 0 EHADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccccc3)cs1)CC[NH2+]CC2 ZINC000424379380 1029036045 /nfs/dbraw/zinc/03/60/45/1029036045.db2.gz OOLJCEAESKFUOF-OAHLLOKOSA-N 1 3 327.497 3.774 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637905279 1029121036 /nfs/dbraw/zinc/12/10/36/1029121036.db2.gz KKWSTZHHWYCZTP-UHFFFAOYSA-N 1 3 325.447 3.963 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637905279 1029121044 /nfs/dbraw/zinc/12/10/44/1029121044.db2.gz KKWSTZHHWYCZTP-UHFFFAOYSA-N 1 3 325.447 3.963 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1cccc(Br)c1 ZINC000414800461 1029158648 /nfs/dbraw/zinc/15/86/48/1029158648.db2.gz KVFARGHUZQEPCX-IVMMDQJWSA-N 1 3 325.294 3.660 20 0 EHADHO COc1ccsc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272139503 1029328115 /nfs/dbraw/zinc/32/81/15/1029328115.db2.gz AZOLMPYKHIAEFE-RDJZCZTQSA-N 1 3 330.497 3.757 20 0 EHADHO CCCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC ZINC000414815104 1029339738 /nfs/dbraw/zinc/33/97/38/1029339738.db2.gz WUOFDTJXNXJJJY-HNNXBMFYSA-N 1 3 328.456 3.794 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000513901032 1029570462 /nfs/dbraw/zinc/57/04/62/1029570462.db2.gz KWWSMSYZTUPBRC-SOLBZPMBSA-N 1 3 344.490 3.633 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000513901031 1029570476 /nfs/dbraw/zinc/57/04/76/1029570476.db2.gz KWWSMSYZTUPBRC-NUJGCVRESA-N 1 3 344.490 3.633 20 0 EHADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716224 1029797751 /nfs/dbraw/zinc/79/77/51/1029797751.db2.gz KJUGZDBCOUBZET-SBHAEUEKSA-N 1 3 338.495 3.954 20 0 EHADHO CCSc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000533786069 1029828411 /nfs/dbraw/zinc/82/84/11/1029828411.db2.gz CVCWMDCVPPTUKE-SJORKVTESA-N 1 3 348.556 3.950 20 0 EHADHO O[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC000090522320 1030134241 /nfs/dbraw/zinc/13/42/41/1030134241.db2.gz DUNDYKFPCXKHPF-BDTNDASRSA-N 1 3 342.527 3.812 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)s1 ZINC000090522572 1030136659 /nfs/dbraw/zinc/13/66/59/1030136659.db2.gz ZQFUPPMOYVYNBU-JVPBZIDWSA-N 1 3 336.545 3.783 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937309 1030197249 /nfs/dbraw/zinc/19/72/49/1030197249.db2.gz KXTMFXSQPMWZGJ-VQIMIIECSA-N 1 3 339.483 3.669 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937307 1030198898 /nfs/dbraw/zinc/19/88/98/1030198898.db2.gz KXTMFXSQPMWZGJ-APWZRJJASA-N 1 3 339.483 3.669 20 0 EHADHO Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482453478 1030438290 /nfs/dbraw/zinc/43/82/90/1030438290.db2.gz VUHHIBFELSMNFN-PGRDOPGGSA-N 1 3 338.470 3.967 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(c2ccccc2F)CCC1 ZINC000650741115 1030462294 /nfs/dbraw/zinc/46/22/94/1030462294.db2.gz YFIXYAYOLBSWLQ-OXJNMPFZSA-N 1 3 326.459 3.796 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000532193258 1030468404 /nfs/dbraw/zinc/46/84/04/1030468404.db2.gz ZGFILASENDKSOD-PKOBYXMFSA-N 1 3 348.531 3.940 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000482629345 1030594752 /nfs/dbraw/zinc/59/47/52/1030594752.db2.gz MMYCLLPLEPVUQS-CBQOVEMMSA-N 1 3 341.543 3.504 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000093792622 1030678458 /nfs/dbraw/zinc/67/84/58/1030678458.db2.gz BCXZNJHQJJLJFS-OAQYLSRUSA-N 1 3 346.515 3.551 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000093792622 1030678467 /nfs/dbraw/zinc/67/84/67/1030678467.db2.gz BCXZNJHQJJLJFS-OAQYLSRUSA-N 1 3 346.515 3.551 20 0 EHADHO CCCCN(C)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583776127 1030703640 /nfs/dbraw/zinc/70/36/40/1030703640.db2.gz QYNWENUSGLVBII-ZVDOUQERSA-N 1 3 331.548 3.750 20 0 EHADHO C[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)c1nc(-c2ccccc2)no1 ZINC000583865825 1030996640 /nfs/dbraw/zinc/99/66/40/1030996640.db2.gz FNEGLYRROWDICU-JEBQAFNWSA-N 1 3 334.423 3.575 20 0 EHADHO C[C@H]1C[C@@H](NC[C@@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549343 1031336034 /nfs/dbraw/zinc/33/60/34/1031336034.db2.gz VQBAGFMWIMTFEO-ORYQWCPZSA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H]1C[C@@H](NC[C@@H](O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000278549343 1031336045 /nfs/dbraw/zinc/33/60/45/1031336045.db2.gz VQBAGFMWIMTFEO-ORYQWCPZSA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(SC2CCCC2)cc1 ZINC000484167772 1031483024 /nfs/dbraw/zinc/48/30/24/1031483024.db2.gz BQSFWUYKDZVCDB-INIZCTEOSA-N 1 3 348.556 3.829 20 0 EHADHO Cc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000527989172 1031549362 /nfs/dbraw/zinc/54/93/62/1031549362.db2.gz XGEYSBDSJKZDGG-BHDDXSALSA-N 1 3 335.495 3.923 20 0 EHADHO CCOc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC ZINC000536652457 1032033797 /nfs/dbraw/zinc/03/37/97/1032033797.db2.gz ODJCEOGGQOWRSW-UHFFFAOYSA-N 1 3 334.504 3.646 20 0 EHADHO CCOc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC ZINC000536652457 1032033807 /nfs/dbraw/zinc/03/38/07/1032033807.db2.gz ODJCEOGGQOWRSW-UHFFFAOYSA-N 1 3 334.504 3.646 20 0 EHADHO CN1CCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@@H]1c1cccs1 ZINC000608059967 1033452646 /nfs/dbraw/zinc/45/26/46/1033452646.db2.gz SAOXPEWUOFWEAX-HNAYVOBHSA-N 1 3 340.496 3.797 20 0 EHADHO Cc1ccoc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000608053381 1033470197 /nfs/dbraw/zinc/47/01/97/1033470197.db2.gz ULVRSOAXNIIGHP-UHFFFAOYSA-N 1 3 341.499 3.588 20 0 EHADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)N(C)C ZINC000550608421 1033725951 /nfs/dbraw/zinc/72/59/51/1033725951.db2.gz GOLITZYYSJGJAS-NJYVYQBISA-N 1 3 331.548 3.778 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccsc2)cc1OC ZINC000069750066 1033852710 /nfs/dbraw/zinc/85/27/10/1033852710.db2.gz ATWKLWUSQBFJDR-UHFFFAOYSA-N 1 3 348.512 3.767 20 0 EHADHO CC(C)[NH2+]C1CCN(c2ccnc3ccc(OC(C)C)cc32)CC1 ZINC000450304372 1034059339 /nfs/dbraw/zinc/05/93/39/1034059339.db2.gz LVLDKWDYZIVRFF-UHFFFAOYSA-N 1 3 327.472 3.989 20 0 EHADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1(F)F ZINC000658216222 1034100607 /nfs/dbraw/zinc/10/06/07/1034100607.db2.gz AMYDFPFGHQKUEV-NCXUSEDFSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000570417110 1035251332 /nfs/dbraw/zinc/25/13/32/1035251332.db2.gz WFZPCEDOOKNLJO-JZXOWHBKSA-N 1 3 344.490 3.633 20 0 EHADHO Cc1cc2c(c(C)c1)[C@@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000655732443 1035715788 /nfs/dbraw/zinc/71/57/88/1035715788.db2.gz BQNIRYVUUIMLPI-HBMCJLEFSA-N 1 3 342.527 3.648 20 0 EHADHO C[C@@H](c1ccc(F)cc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710158 1035978993 /nfs/dbraw/zinc/97/89/93/1035978993.db2.gz HSYYEYHWEHMUJR-BBWFWOEESA-N 1 3 334.479 3.708 20 0 EHADHO C[C@@H](c1ccc(F)cc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710158 1035979002 /nfs/dbraw/zinc/97/90/02/1035979002.db2.gz HSYYEYHWEHMUJR-BBWFWOEESA-N 1 3 334.479 3.708 20 0 EHADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000414211642 1036084526 /nfs/dbraw/zinc/08/45/26/1036084526.db2.gz VQSJAYFYUFUBIZ-ZIBCJSCZSA-N 1 3 330.516 3.549 20 0 EHADHO CCN(C)C[C@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788118 1036786545 /nfs/dbraw/zinc/78/65/45/1036786545.db2.gz HYFMQGCLYUECBO-GOSISDBHSA-N 1 3 326.484 3.882 20 0 EHADHO CCN(C)C[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000464788118 1036786564 /nfs/dbraw/zinc/78/65/64/1036786564.db2.gz HYFMQGCLYUECBO-GOSISDBHSA-N 1 3 326.484 3.882 20 0 EHADHO CN(CCCOc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840520 1036880514 /nfs/dbraw/zinc/88/05/14/1036880514.db2.gz VJJLVUXMLWWPFW-NRFANRHFSA-N 1 3 338.495 3.909 20 0 EHADHO CN(CCCOc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840520 1036880529 /nfs/dbraw/zinc/88/05/29/1036880529.db2.gz VJJLVUXMLWWPFW-NRFANRHFSA-N 1 3 338.495 3.909 20 0 EHADHO CCCN1CCC([NH2+][C@@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 ZINC000666353082 1036893276 /nfs/dbraw/zinc/89/32/76/1036893276.db2.gz ZXBPWSROMVWQPD-NRFANRHFSA-N 1 3 340.515 3.705 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818208 1037238976 /nfs/dbraw/zinc/23/89/76/1037238976.db2.gz KENDIMXCZFLEAY-ZFWWWQNUSA-N 1 3 330.394 3.747 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818208 1037238987 /nfs/dbraw/zinc/23/89/87/1037238987.db2.gz KENDIMXCZFLEAY-ZFWWWQNUSA-N 1 3 330.394 3.747 20 0 EHADHO Cc1ccc(C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000540172822 1037642416 /nfs/dbraw/zinc/64/24/16/1037642416.db2.gz XOEKSLONDMHJSC-IPJJNNNSSA-N 1 3 344.543 3.795 20 0 EHADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030641 1037686709 /nfs/dbraw/zinc/68/67/09/1037686709.db2.gz UDMMLZMWJDPVJT-HKUYNNGSSA-N 1 3 348.531 3.607 20 0 EHADHO C[C@@H]1CSCCN1Cc1ccc(C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000532578652 1037692835 /nfs/dbraw/zinc/69/28/35/1037692835.db2.gz MFESCNVUZGXHIJ-HZPDHXFCSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@@H]1CSCCN1Cc1ccc(C[N@H+]2CCSC[C@H]2C)cc1 ZINC000532578652 1037692840 /nfs/dbraw/zinc/69/28/40/1037692840.db2.gz MFESCNVUZGXHIJ-HZPDHXFCSA-N 1 3 336.570 3.561 20 0 EHADHO Cc1cc(Br)cc2c1[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000493905143 1037702471 /nfs/dbraw/zinc/70/24/71/1037702471.db2.gz GVAVYOYGZRDIRC-DYVFJYSZSA-N 1 3 349.316 3.819 20 0 EHADHO Cc1cc(Br)cc2c1[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905143 1037702486 /nfs/dbraw/zinc/70/24/86/1037702486.db2.gz GVAVYOYGZRDIRC-DYVFJYSZSA-N 1 3 349.316 3.819 20 0 EHADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000363822913 1038615377 /nfs/dbraw/zinc/61/53/77/1038615377.db2.gz MXGPVQUHSNMHMX-MJUUVYJYSA-N 1 3 330.516 3.692 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182872839 1038646337 /nfs/dbraw/zinc/64/63/37/1038646337.db2.gz PNBGYLBXZUNMHH-QFBILLFUSA-N 1 3 332.488 3.511 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059099 1038659899 /nfs/dbraw/zinc/65/98/99/1038659899.db2.gz MPUVVGWBVUDJLZ-YLJYHZDGSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059099 1038659906 /nfs/dbraw/zinc/65/99/06/1038659906.db2.gz MPUVVGWBVUDJLZ-YLJYHZDGSA-N 1 3 348.494 3.514 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1F ZINC000668817850 1038791381 /nfs/dbraw/zinc/79/13/81/1038791381.db2.gz AWBAVPKUYWCROT-VQIMIIECSA-N 1 3 348.506 3.725 20 0 EHADHO Cc1cccc([C@@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000905909395 1039167459 /nfs/dbraw/zinc/16/74/59/1039167459.db2.gz NCKMSROIWUGOTF-QFIPXVFZSA-N 1 3 338.495 3.591 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318058 1039201863 /nfs/dbraw/zinc/20/18/63/1039201863.db2.gz OPGPELZTCGJYNH-NIKGAXFTSA-N 1 3 336.907 3.738 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318058 1039201878 /nfs/dbraw/zinc/20/18/78/1039201878.db2.gz OPGPELZTCGJYNH-NIKGAXFTSA-N 1 3 336.907 3.738 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155910905 1039368268 /nfs/dbraw/zinc/36/82/68/1039368268.db2.gz XKXYZSIZOPQVTB-XOKHGSTOSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155910905 1039368255 /nfs/dbraw/zinc/36/82/55/1039368255.db2.gz XKXYZSIZOPQVTB-XOKHGSTOSA-N 1 3 337.305 3.597 20 0 EHADHO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)sc1Br ZINC000554878088 1039893346 /nfs/dbraw/zinc/89/33/46/1039893346.db2.gz GGQORRYRRPHXLH-FUNVUKJBSA-N 1 3 343.334 3.876 20 0 EHADHO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)sc1Br ZINC000554878088 1039893371 /nfs/dbraw/zinc/89/33/71/1039893371.db2.gz GGQORRYRRPHXLH-FUNVUKJBSA-N 1 3 343.334 3.876 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667786209 1040193809 /nfs/dbraw/zinc/19/38/09/1040193809.db2.gz LCFXSAZNBBIPLQ-CZAAIQMYSA-N 1 3 328.500 3.576 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667786209 1040193814 /nfs/dbraw/zinc/19/38/14/1040193814.db2.gz LCFXSAZNBBIPLQ-CZAAIQMYSA-N 1 3 328.500 3.576 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000120143730 1040514743 /nfs/dbraw/zinc/51/47/43/1040514743.db2.gz NSWOKBLGPPTUOP-ROUUACIJSA-N 1 3 326.488 3.787 20 0 EHADHO CC(C)OC(=O)C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000600165154 1040773032 /nfs/dbraw/zinc/77/30/32/1040773032.db2.gz FZUXHLZKSNKJDS-QZTJIDSGSA-N 1 3 332.488 3.532 20 0 EHADHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925688050 1041205986 /nfs/dbraw/zinc/20/59/86/1041205986.db2.gz DNAHTMUUFSMYFD-MJUUVYJYSA-N 1 3 328.500 3.557 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000481711139 1041291313 /nfs/dbraw/zinc/29/13/13/1041291313.db2.gz DPCBQLQGLGKXSV-JJRVBVJISA-N 1 3 339.321 3.884 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000481711139 1041291300 /nfs/dbraw/zinc/29/13/00/1041291300.db2.gz DPCBQLQGLGKXSV-JJRVBVJISA-N 1 3 339.321 3.884 20 0 EHADHO C[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2C)[C@@H]1CCC[NH3+] ZINC000662312991 1042676878 /nfs/dbraw/zinc/67/68/78/1042676878.db2.gz JCCNJPNGWKCPBG-CZUORRHYSA-N 1 3 334.895 3.566 20 0 EHADHO CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312996 1042677185 /nfs/dbraw/zinc/67/71/85/1042677185.db2.gz DXQYJVDZUDIIDP-DNVCBOLYSA-N 1 3 332.488 3.627 20 0 EHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925786949 1042979118 /nfs/dbraw/zinc/97/91/18/1042979118.db2.gz YCTDDSAAZJBUGT-CMPLNLGQSA-N 1 3 331.476 3.644 20 0 EHADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412088 1043117278 /nfs/dbraw/zinc/11/72/78/1043117278.db2.gz ACZDCKMCNRRFSX-DNVCBOLYSA-N 1 3 336.907 3.808 20 0 EHADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412088 1043117284 /nfs/dbraw/zinc/11/72/84/1043117284.db2.gz ACZDCKMCNRRFSX-DNVCBOLYSA-N 1 3 336.907 3.808 20 0 EHADHO CCSc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450491 1043291513 /nfs/dbraw/zinc/29/15/13/1043291513.db2.gz XGGBZOOIJHQAMJ-IAGOWNOFSA-N 1 3 336.545 3.950 20 0 EHADHO CCSc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450491 1043291520 /nfs/dbraw/zinc/29/15/20/1043291520.db2.gz XGGBZOOIJHQAMJ-IAGOWNOFSA-N 1 3 336.545 3.950 20 0 EHADHO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000512272127 1044492028 /nfs/dbraw/zinc/49/20/28/1044492028.db2.gz XHOVJRDJHVUNJO-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO COc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000512272127 1044492035 /nfs/dbraw/zinc/49/20/35/1044492035.db2.gz XHOVJRDJHVUNJO-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000155041324 1125778920 /nfs/dbraw/zinc/77/89/20/1125778920.db2.gz KLRULSUVLJSOIW-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000155041324 1125778927 /nfs/dbraw/zinc/77/89/27/1125778927.db2.gz KLRULSUVLJSOIW-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO CC[NH+](CC)CCC[C@H](C)NCc1ncc(Br)cc1F ZINC000623335450 1126918265 /nfs/dbraw/zinc/91/82/65/1126918265.db2.gz NLTHVKDMWXCGOD-LBPRGKRZSA-N 1 3 346.288 3.583 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338036 1126920385 /nfs/dbraw/zinc/92/03/85/1126920385.db2.gz HYCHREMETXFVPH-LPHOPBHVSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338036 1126920387 /nfs/dbraw/zinc/92/03/87/1126920387.db2.gz HYCHREMETXFVPH-LPHOPBHVSA-N 1 3 349.950 3.939 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1(C)C ZINC000623357405 1126929101 /nfs/dbraw/zinc/92/91/01/1126929101.db2.gz NDSPDIVAFUZQRJ-IBGZPJMESA-N 1 3 339.483 3.623 20 0 EHADHO CC[C@@H](c1ccc(Cl)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177386223 1126982152 /nfs/dbraw/zinc/98/21/52/1126982152.db2.gz FAADKGPCGWBFOK-IBGZPJMESA-N 1 3 337.939 3.749 20 0 EHADHO CC[C@@H](c1ccc(Cl)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177386223 1126982155 /nfs/dbraw/zinc/98/21/55/1126982155.db2.gz FAADKGPCGWBFOK-IBGZPJMESA-N 1 3 337.939 3.749 20 0 EHADHO Cc1c(Br)cccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623560770 1126985566 /nfs/dbraw/zinc/98/55/66/1126985566.db2.gz RMOIKMRPWZTCMD-CQSZACIVSA-N 1 3 325.294 3.720 20 0 EHADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178041407 1127004830 /nfs/dbraw/zinc/00/48/30/1127004830.db2.gz YIFJXODWBVCNAP-OKZBNKHCSA-N 1 3 336.495 3.626 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757081 1127115767 /nfs/dbraw/zinc/11/57/67/1127115767.db2.gz NRQIAICQVMWOFV-GJZGRUSLSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757081 1127115770 /nfs/dbraw/zinc/11/57/70/1127115770.db2.gz NRQIAICQVMWOFV-GJZGRUSLSA-N 1 3 339.886 3.520 20 0 EHADHO CCCC1CCC(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000180074380 1127117799 /nfs/dbraw/zinc/11/77/99/1127117799.db2.gz JMCFHEKZQUPOMH-XVAXZDLZSA-N 1 3 335.580 3.695 20 0 EHADHO CCCC1CCC(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000180074380 1127117801 /nfs/dbraw/zinc/11/78/01/1127117801.db2.gz JMCFHEKZQUPOMH-XVAXZDLZSA-N 1 3 335.580 3.695 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123692 1127256418 /nfs/dbraw/zinc/25/64/18/1127256418.db2.gz QQLRMGTZYGFSTJ-QKLQHJQFSA-N 1 3 334.479 3.615 20 0 EHADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624224914 1127322323 /nfs/dbraw/zinc/32/23/23/1127322323.db2.gz DQAXFMZOAWBFKX-MRXNPFEDSA-N 1 3 339.886 3.520 20 0 EHADHO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000765453684 1127614939 /nfs/dbraw/zinc/61/49/39/1127614939.db2.gz QOJGPARPMZSULG-QFIPXVFZSA-N 1 3 344.543 3.878 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000765507634 1127630291 /nfs/dbraw/zinc/63/02/91/1127630291.db2.gz RUUDARDDMSONTB-MRXNPFEDSA-N 1 3 325.456 3.698 20 0 EHADHO CC[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000155278561 1127958256 /nfs/dbraw/zinc/95/82/56/1127958256.db2.gz DJFCMKMBLHCVGV-JQWIXIFHSA-N 1 3 335.439 3.933 20 0 EHADHO COc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166269266 1128102867 /nfs/dbraw/zinc/10/28/67/1128102867.db2.gz SHSMLUYWAGUDLE-ZWKOTPCHSA-N 1 3 328.500 3.723 20 0 EHADHO COc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166269266 1128102870 /nfs/dbraw/zinc/10/28/70/1128102870.db2.gz SHSMLUYWAGUDLE-ZWKOTPCHSA-N 1 3 328.500 3.723 20 0 EHADHO Fc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855124 1128507301 /nfs/dbraw/zinc/50/73/01/1128507301.db2.gz CKMBNRZTQNJDTJ-LSDHHAIUSA-N 1 3 328.378 3.534 20 0 EHADHO Fc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855124 1128507304 /nfs/dbraw/zinc/50/73/04/1128507304.db2.gz CKMBNRZTQNJDTJ-LSDHHAIUSA-N 1 3 328.378 3.534 20 0 EHADHO Brc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250258265 1120959631 /nfs/dbraw/zinc/95/96/31/1120959631.db2.gz RVKOFRREORUIMA-STCOUPBVSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250258265 1120959634 /nfs/dbraw/zinc/95/96/34/1120959634.db2.gz RVKOFRREORUIMA-STCOUPBVSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997022 1122035491 /nfs/dbraw/zinc/03/54/91/1122035491.db2.gz PYCBLCFGNCCBBC-DQVOVIAYSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997022 1122035495 /nfs/dbraw/zinc/03/54/95/1122035495.db2.gz PYCBLCFGNCCBBC-DQVOVIAYSA-N 1 3 349.316 3.912 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000556886385 1123166564 /nfs/dbraw/zinc/16/65/64/1123166564.db2.gz LYZZOCBJGSEHSF-KMKNWIINSA-N 1 3 342.527 3.834 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000134177575 1123498096 /nfs/dbraw/zinc/49/80/96/1123498096.db2.gz JDFFNSSWQHPGHK-UHFFFAOYSA-N 1 3 328.504 3.587 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000134177575 1123498098 /nfs/dbraw/zinc/49/80/98/1123498098.db2.gz JDFFNSSWQHPGHK-UHFFFAOYSA-N 1 3 328.504 3.587 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000248043599 1124636370 /nfs/dbraw/zinc/63/63/70/1124636370.db2.gz UKBRVKOQKHEFGH-CEXWTWQISA-N 1 3 349.588 3.841 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000248043599 1124636374 /nfs/dbraw/zinc/63/63/74/1124636374.db2.gz UKBRVKOQKHEFGH-CEXWTWQISA-N 1 3 349.588 3.841 20 0 EHADHO CCCc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936950 1124945715 /nfs/dbraw/zinc/94/57/15/1124945715.db2.gz NGMRGWDTCWDLLI-QGZVFWFLSA-N 1 3 341.499 3.825 20 0 EHADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091368244 1124978988 /nfs/dbraw/zinc/97/89/88/1124978988.db2.gz KIWVBSXPXWMSRQ-KRWDZBQOSA-N 1 3 342.531 3.982 20 0 EHADHO C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336883 1125228265 /nfs/dbraw/zinc/22/82/65/1125228265.db2.gz RTNJMKBLYCDASV-FQEVSTJZSA-N 1 3 348.490 3.916 20 0 EHADHO C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336883 1125228269 /nfs/dbraw/zinc/22/82/69/1125228269.db2.gz RTNJMKBLYCDASV-FQEVSTJZSA-N 1 3 348.490 3.916 20 0 EHADHO CC1=C[C@H](C)C[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613917 1129444601 /nfs/dbraw/zinc/44/46/01/1129444601.db2.gz WRTFDSRPSGSJDP-UWJYYQICSA-N 1 3 327.516 3.876 20 0 EHADHO CC1([NH+]2CCC2)CCC(NCc2conc2Cc2ccccc2)CC1 ZINC000922846230 1129689017 /nfs/dbraw/zinc/68/90/17/1129689017.db2.gz XVBCVVVATRNUTR-UHFFFAOYSA-N 1 3 339.483 3.762 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[C@@H](C)O2)CC1 ZINC000658216857 1130275181 /nfs/dbraw/zinc/27/51/81/1130275181.db2.gz VHISZDBUWXSMDY-DBXWQHBBSA-N 1 3 330.516 3.629 20 0 EHADHO Brc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166685192 1130595464 /nfs/dbraw/zinc/59/54/64/1130595464.db2.gz VXBPMAZCOABUQR-HUUCEWRRSA-N 1 3 349.316 3.697 20 0 EHADHO Brc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166685192 1130595470 /nfs/dbraw/zinc/59/54/70/1130595470.db2.gz VXBPMAZCOABUQR-HUUCEWRRSA-N 1 3 349.316 3.697 20 0 EHADHO CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001172458430 1131750921 /nfs/dbraw/zinc/75/09/21/1131750921.db2.gz YUURBXXWKZUDKP-BDKRGJGYSA-N 1 3 344.543 3.938 20 0 EHADHO CCCOC1CCC(N2CCC([NH3+])(c3cccc(OC)c3)CC2)CC1 ZINC001173096513 1131952791 /nfs/dbraw/zinc/95/27/91/1131952791.db2.gz YYGBXNHPKXYFNG-UHFFFAOYSA-N 1 3 346.515 3.683 20 0 EHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001173084994 1131962628 /nfs/dbraw/zinc/96/26/28/1131962628.db2.gz FYELGTSYWHBJCU-ZFWWWQNUSA-N 1 3 330.394 3.590 20 0 EHADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173720705 1132136667 /nfs/dbraw/zinc/13/66/67/1132136667.db2.gz MDRDLRUMSDFBFW-MRXNPFEDSA-N 1 3 346.515 3.647 20 0 EHADHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173720705 1132136669 /nfs/dbraw/zinc/13/66/69/1132136669.db2.gz MDRDLRUMSDFBFW-MRXNPFEDSA-N 1 3 346.515 3.647 20 0 EHADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1ccccc1C[NH+](C)C ZINC001173931896 1132189051 /nfs/dbraw/zinc/18/90/51/1132189051.db2.gz LQUALOREFUIVHS-UHFFFAOYSA-N 1 3 338.499 3.552 20 0 EHADHO C[NH+](C)CCc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001174394377 1132329854 /nfs/dbraw/zinc/32/98/54/1132329854.db2.gz ILJWTWXVIORMOG-UHFFFAOYSA-N 1 3 335.495 3.992 20 0 EHADHO CO[C@@H](CN1CCC2(CC1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC001175210802 1132594980 /nfs/dbraw/zinc/59/49/80/1132594980.db2.gz FYRLBFWYHRQLPE-SFHVURJKSA-N 1 3 336.907 3.835 20 0 EHADHO C[C@@H]([NH2+]C[C@H](CN(C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064947 1132650051 /nfs/dbraw/zinc/65/00/51/1132650051.db2.gz CQABOKGHXZJDFV-XMSQKQJNSA-N 1 3 348.494 3.976 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117318 1132661579 /nfs/dbraw/zinc/66/15/79/1132661579.db2.gz YGVLYXCSRPJGMP-JYYAWHABSA-N 1 3 339.405 3.766 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)OCc1ccc(Cl)cc13)C2 ZINC001169155369 1132680033 /nfs/dbraw/zinc/68/00/33/1132680033.db2.gz NXNFGUHYQFQSQO-PIIMJCKOSA-N 1 3 346.902 3.787 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)OCc1ccc(Cl)cc13)C2 ZINC001169155369 1132680037 /nfs/dbraw/zinc/68/00/37/1132680037.db2.gz NXNFGUHYQFQSQO-PIIMJCKOSA-N 1 3 346.902 3.787 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154433 1132680556 /nfs/dbraw/zinc/68/05/56/1132680556.db2.gz QQOPTVQUYQYNTP-ZSHCYNCHSA-N 1 3 340.389 3.569 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154433 1132680560 /nfs/dbraw/zinc/68/05/60/1132680560.db2.gz QQOPTVQUYQYNTP-ZSHCYNCHSA-N 1 3 340.389 3.569 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC001177299585 1133047996 /nfs/dbraw/zinc/04/79/96/1133047996.db2.gz WQQCSEWQYRVPFN-IAGOWNOFSA-N 1 3 346.515 3.763 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC001177299585 1133048003 /nfs/dbraw/zinc/04/80/03/1133048003.db2.gz WQQCSEWQYRVPFN-IAGOWNOFSA-N 1 3 346.515 3.763 20 0 EHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534530 1133498156 /nfs/dbraw/zinc/49/81/56/1133498156.db2.gz MGGRYHJRAKUGQI-IAGOWNOFSA-N 1 3 326.406 3.708 20 0 EHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534530 1133498163 /nfs/dbraw/zinc/49/81/63/1133498163.db2.gz MGGRYHJRAKUGQI-IAGOWNOFSA-N 1 3 326.406 3.708 20 0 EHADHO CC[N@H+](CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1)CC1CC1 ZINC000771476209 1133560152 /nfs/dbraw/zinc/56/01/52/1133560152.db2.gz SFVVDAXLZHPBGF-OAQYLSRUSA-N 1 3 348.506 3.693 20 0 EHADHO CC[N@@H+](CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1)CC1CC1 ZINC000771476209 1133560157 /nfs/dbraw/zinc/56/01/57/1133560157.db2.gz SFVVDAXLZHPBGF-OAQYLSRUSA-N 1 3 348.506 3.693 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001184135186 1133898096 /nfs/dbraw/zinc/89/80/96/1133898096.db2.gz MNWXHUNYLRZBQV-JSGCOSHPSA-N 1 3 343.298 3.692 20 0 EHADHO C[N@H+](CCCN[C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775360665 1134665532 /nfs/dbraw/zinc/66/55/32/1134665532.db2.gz AEQGHMGFIDXVLA-ZACQAIPSSA-N 1 3 328.591 3.610 20 0 EHADHO C[N@@H+](CCCN[C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775360665 1134665533 /nfs/dbraw/zinc/66/55/33/1134665533.db2.gz AEQGHMGFIDXVLA-ZACQAIPSSA-N 1 3 328.591 3.610 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)CN(Cc2ccccc2)C1 ZINC000793608043 1134968978 /nfs/dbraw/zinc/96/89/78/1134968978.db2.gz HKXOETGRCSZZEO-UTKZUKDTSA-N 1 3 348.494 3.606 20 0 EHADHO Cc1cc(F)cc(Br)c1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651877 1135224993 /nfs/dbraw/zinc/22/49/93/1135224993.db2.gz KZPXCRFCFUCZTE-AAEUAGOBSA-N 1 3 343.284 3.703 20 0 EHADHO COCC(C)(C)N(C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194755427 1135318195 /nfs/dbraw/zinc/31/81/95/1135318195.db2.gz QNWGAAYYVAQSBP-UHFFFAOYSA-N 1 3 332.532 3.688 20 0 EHADHO Cc1ccnc(C)c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528582 1135555090 /nfs/dbraw/zinc/55/50/90/1135555090.db2.gz SMYPENBVKRKUKP-UHFFFAOYSA-N 1 3 348.494 3.608 20 0 EHADHO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001199274992 1135889454 /nfs/dbraw/zinc/88/94/54/1135889454.db2.gz AVOQITYRYJKFBP-YADHBBJMSA-N 1 3 343.559 3.738 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC001201492448 1136028171 /nfs/dbraw/zinc/02/81/71/1136028171.db2.gz PVKLQZVVLVYYPI-LJQANCHMSA-N 1 3 329.532 3.887 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1SC(C)(C)C ZINC000815582719 1136614800 /nfs/dbraw/zinc/61/48/00/1136614800.db2.gz NRUKRVRQNFBMFI-HNNXBMFYSA-N 1 3 336.545 3.685 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CCC3)C2)ccn1 ZINC000856605877 1136798882 /nfs/dbraw/zinc/79/88/82/1136798882.db2.gz GPABIDJNFQJLFZ-NRFANRHFSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCC3CCC3)C2)ccn1 ZINC000856605877 1136798888 /nfs/dbraw/zinc/79/88/88/1136798888.db2.gz GPABIDJNFQJLFZ-NRFANRHFSA-N 1 3 345.531 3.955 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)c1cc(F)ccc1F ZINC000818943120 1136894087 /nfs/dbraw/zinc/89/40/87/1136894087.db2.gz PPKDMQMFPKSMQW-HXUWFJFHSA-N 1 3 348.437 3.630 20 0 EHADHO C[NH+](C)CC[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000819079411 1136911845 /nfs/dbraw/zinc/91/18/45/1136911845.db2.gz AABSIQREPGZRBB-JKSUJKDBSA-N 1 3 346.437 3.695 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc1CN1CCCCC1 ZINC000858592593 1136981332 /nfs/dbraw/zinc/98/13/32/1136981332.db2.gz GRZAEDZLFZHFEW-ABSDTBQOSA-N 1 3 346.515 3.757 20 0 EHADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144184 1137242976 /nfs/dbraw/zinc/24/29/76/1137242976.db2.gz NVJVSYCXSIOQHK-GJZGRUSLSA-N 1 3 327.299 3.925 20 0 EHADHO CC(C)[NH+]1CCC(CCNCc2ccnc(Cl)c2Cl)CC1 ZINC000865717028 1137306213 /nfs/dbraw/zinc/30/62/13/1137306213.db2.gz LLKTVVAORULLIY-UHFFFAOYSA-N 1 3 330.303 3.989 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccn1 ZINC000866257051 1137340053 /nfs/dbraw/zinc/34/00/53/1137340053.db2.gz FBOODCIYLCSUMZ-IFMALSPDSA-N 1 3 337.511 3.933 20 0 EHADHO Cn1c2ccccc2nc1[C@@H](NCCCCCC[NH3+])c1ccccc1 ZINC000846222284 1137342203 /nfs/dbraw/zinc/34/22/03/1137342203.db2.gz CPMIZJFSYICRGZ-FQEVSTJZSA-N 1 3 336.483 3.771 20 0 EHADHO C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000866399287 1137352070 /nfs/dbraw/zinc/35/20/70/1137352070.db2.gz REPVSAJOPRZOSJ-QZTJIDSGSA-N 1 3 325.500 3.877 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866510732 1137359947 /nfs/dbraw/zinc/35/99/47/1137359947.db2.gz PDXFRRUAKXUGFS-PZJWPPBQSA-N 1 3 334.548 3.826 20 0 EHADHO CC[C@H](CNC(=O)OC(C)(C)C)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624811 1137501459 /nfs/dbraw/zinc/50/14/59/1137501459.db2.gz YLVVHXPXSJDRQS-CQSZACIVSA-N 1 3 341.540 3.531 20 0 EHADHO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171624811 1137501460 /nfs/dbraw/zinc/50/14/60/1137501460.db2.gz YLVVHXPXSJDRQS-CQSZACIVSA-N 1 3 341.540 3.531 20 0 EHADHO Cc1cccc(N2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)n1 ZINC001171642963 1137505230 /nfs/dbraw/zinc/50/52/30/1137505230.db2.gz OGLMXMWYHTWRQS-UHFFFAOYSA-N 1 3 344.547 3.554 20 0 EHADHO Cc1cccc(N2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)n1 ZINC001171642963 1137505232 /nfs/dbraw/zinc/50/52/32/1137505232.db2.gz OGLMXMWYHTWRQS-UHFFFAOYSA-N 1 3 344.547 3.554 20 0 EHADHO CC1(C)C[C@@H](NCCOC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001171970492 1137523636 /nfs/dbraw/zinc/52/36/36/1137523636.db2.gz CKLGPUPQSCEASP-HNNXBMFYSA-N 1 3 330.394 3.556 20 0 EHADHO CC1(C)C[C@@H](NCCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171970492 1137523637 /nfs/dbraw/zinc/52/36/37/1137523637.db2.gz CKLGPUPQSCEASP-HNNXBMFYSA-N 1 3 330.394 3.556 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCN(Cc3ccccc3)CC1)C2 ZINC001172112045 1137537846 /nfs/dbraw/zinc/53/78/46/1137537846.db2.gz ZQJUJYRPMDSYEA-MZADTFQBSA-N 1 3 341.543 3.646 20 0 EHADHO Cc1ccc(OCc2nc(CN[C@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873221497 1137594417 /nfs/dbraw/zinc/59/44/17/1137594417.db2.gz UNMDPDJOODENEX-OAHLLOKOSA-N 1 3 345.512 3.508 20 0 EHADHO COCc1cc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1OC ZINC000125956957 1137652160 /nfs/dbraw/zinc/65/21/60/1137652160.db2.gz CBPCNYNQUGOGKM-HNAYVOBHSA-N 1 3 336.520 3.859 20 0 EHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000876930456 1137665658 /nfs/dbraw/zinc/66/56/58/1137665658.db2.gz XCGHXLLWQHAAFR-INIZCTEOSA-N 1 3 345.487 3.608 20 0 EHADHO Cc1ccccc1C[NH+]1CCC(NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000876941331 1137665945 /nfs/dbraw/zinc/66/59/45/1137665945.db2.gz KLZCYFDKZKNZPE-HNNXBMFYSA-N 1 3 327.299 3.743 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1cccc2c1CCOC2 ZINC000882880717 1137836636 /nfs/dbraw/zinc/83/66/36/1137836636.db2.gz FTPXAECKRFYCAP-UHFFFAOYSA-N 1 3 338.495 3.891 20 0 EHADHO C[N@H+](Cc1ccccc1NC(=O)[C@H](N)CC1CC1)C1CCCCC1 ZINC000884176865 1137922358 /nfs/dbraw/zinc/92/23/58/1137922358.db2.gz SEWKYLOFUFMNCJ-GOSISDBHSA-N 1 3 329.488 3.517 20 0 EHADHO C[N@@H+](Cc1ccccc1NC(=O)[C@H](N)CC1CC1)C1CCCCC1 ZINC000884176865 1137922359 /nfs/dbraw/zinc/92/23/59/1137922359.db2.gz SEWKYLOFUFMNCJ-GOSISDBHSA-N 1 3 329.488 3.517 20 0 EHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1N(C)C ZINC000093942631 1138243296 /nfs/dbraw/zinc/24/32/96/1138243296.db2.gz IXEUNOCZVFFNSS-QGZVFWFLSA-N 1 3 341.499 3.544 20 0 EHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000132999819 1138615915 /nfs/dbraw/zinc/61/59/15/1138615915.db2.gz FCBRJSRGEQCMAK-UONOGXRCSA-N 1 3 340.870 3.631 20 0 EHADHO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000177351684 1139614590 /nfs/dbraw/zinc/61/45/90/1139614590.db2.gz KXRHNAWSMKEIDR-QZTJIDSGSA-N 1 3 338.495 3.991 20 0 EHADHO C[C@H]1CN(CCCC[NH2+][C@@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000178035360 1139664953 /nfs/dbraw/zinc/66/49/53/1139664953.db2.gz QHKGBUOXGVGJPR-XYJFISCASA-N 1 3 334.529 3.703 20 0 EHADHO CCCOc1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000178486334 1139698681 /nfs/dbraw/zinc/69/86/81/1139698681.db2.gz INRANDPHWOKSIV-KRWDZBQOSA-N 1 3 334.504 3.627 20 0 EHADHO Fc1cc(C[NH2+]C2CCN(C3CCC3)CC2)ccc1Br ZINC000268642443 1140966226 /nfs/dbraw/zinc/96/62/26/1140966226.db2.gz DVYQXVKWDFWMAJ-UHFFFAOYSA-N 1 3 341.268 3.695 20 0 EHADHO CCOc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000268793694 1140993924 /nfs/dbraw/zinc/99/39/24/1140993924.db2.gz HIFNGGPCXZEQST-KRWDZBQOSA-N 1 3 342.483 3.877 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923245 1141026144 /nfs/dbraw/zinc/02/61/44/1141026144.db2.gz PHOFZEFKFGXOOA-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923245 1141026151 /nfs/dbraw/zinc/02/61/51/1141026151.db2.gz PHOFZEFKFGXOOA-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(CC(C)C)CC2)nc1 ZINC001164657528 719339762 /nfs/dbraw/zinc/33/97/62/719339762.db2.gz PTWWGFILPGSSDC-HXUWFJFHSA-N 1 3 344.547 3.797 20 0 EHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(CC(C)C)CC2)nc1 ZINC001164657528 719339768 /nfs/dbraw/zinc/33/97/68/719339768.db2.gz PTWWGFILPGSSDC-HXUWFJFHSA-N 1 3 344.547 3.797 20 0 EHADHO c1nc2cc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000584284369 1032062194 /nfs/dbraw/zinc/06/21/94/1032062194.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 1 3 346.478 3.517 20 0 EHADHO c1nc2cc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000584284369 1032062207 /nfs/dbraw/zinc/06/22/07/1032062207.db2.gz IISGKBZWLXRPTL-VQTJNVASSA-N 1 3 346.478 3.517 20 0 EHADHO C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027828 1032064296 /nfs/dbraw/zinc/06/42/96/1032064296.db2.gz JMEFKSPBWGNXBJ-ZIAGYGMSSA-N 1 3 333.476 3.864 20 0 EHADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027828 1032064311 /nfs/dbraw/zinc/06/43/11/1032064311.db2.gz JMEFKSPBWGNXBJ-ZIAGYGMSSA-N 1 3 333.476 3.864 20 0 EHADHO CCN(Cc1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618236 1015101361 /nfs/dbraw/zinc/10/13/61/1015101361.db2.gz UARNJNUFKMPUTQ-OAHLLOKOSA-N 1 3 325.294 3.613 20 0 EHADHO CCN(Cc1cccc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618236 1015101374 /nfs/dbraw/zinc/10/13/74/1015101374.db2.gz UARNJNUFKMPUTQ-OAHLLOKOSA-N 1 3 325.294 3.613 20 0 EHADHO CCC[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000339678726 1015494023 /nfs/dbraw/zinc/49/40/23/1015494023.db2.gz SFALMEQVMPSAEH-MRXNPFEDSA-N 1 3 345.314 3.881 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274862588 1015514457 /nfs/dbraw/zinc/51/44/57/1015514457.db2.gz DCFJNZVUUNVZMQ-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274862588 1015514460 /nfs/dbraw/zinc/51/44/60/1015514460.db2.gz DCFJNZVUUNVZMQ-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000274862588 1015514462 /nfs/dbraw/zinc/51/44/62/1015514462.db2.gz DCFJNZVUUNVZMQ-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO CCOC(C)(C)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001209073001 1015778519 /nfs/dbraw/zinc/77/85/19/1015778519.db2.gz PVPJYWOSRIMGDS-UHFFFAOYSA-N 1 3 345.531 3.573 20 0 EHADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000538116446 1032142082 /nfs/dbraw/zinc/14/20/82/1032142082.db2.gz KMMHIJOWRBWMCB-IKGGRYGDSA-N 1 3 338.923 3.750 20 0 EHADHO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC001209453066 1016313679 /nfs/dbraw/zinc/31/36/79/1016313679.db2.gz FBLRGPFXLVQOQK-HXUWFJFHSA-N 1 3 344.499 3.876 20 0 EHADHO COC(=O)c1ccc([C@H]2CCCC[N@H+]2CCCN2CCCCC2)cc1 ZINC001209453066 1016313685 /nfs/dbraw/zinc/31/36/85/1016313685.db2.gz FBLRGPFXLVQOQK-HXUWFJFHSA-N 1 3 344.499 3.876 20 0 EHADHO CC(C)N1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449068516 1032151766 /nfs/dbraw/zinc/15/17/66/1032151766.db2.gz SWBIPBDQQDNYSO-UHFFFAOYSA-N 1 3 333.476 3.912 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1CN1CCCCC1 ZINC000182975673 1032153987 /nfs/dbraw/zinc/15/39/87/1032153987.db2.gz OQZGTNOAJJENML-FEGHXTNJSA-N 1 3 344.499 3.652 20 0 EHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110644401 1017088505 /nfs/dbraw/zinc/08/85/05/1017088505.db2.gz NQMSYDJZOHTZPJ-WBMJQRKESA-N 1 3 325.294 3.959 20 0 EHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644406 1017089076 /nfs/dbraw/zinc/08/90/76/1017089076.db2.gz NQMSYDJZOHTZPJ-LRDDRELGSA-N 1 3 325.294 3.959 20 0 EHADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423038825 1032493152 /nfs/dbraw/zinc/49/31/52/1032493152.db2.gz PFYKOCAIYDFWQV-PJFSTRORSA-N 1 3 347.890 3.929 20 0 EHADHO C[C@H](CCc1ccccc1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537332153 1032637589 /nfs/dbraw/zinc/63/75/89/1032637589.db2.gz RXWOJLBFPCMOOT-AQNXPRMDSA-N 1 3 332.532 3.734 20 0 EHADHO COc1cc2c(c(CN[C@H](CCC[NH3+])c3ccccc3)c1)O[C@H](C)C2 ZINC000415061051 1017488565 /nfs/dbraw/zinc/48/85/65/1017488565.db2.gz XRYNPCXGDOFMNB-FOIQADDNSA-N 1 3 340.467 3.588 20 0 EHADHO c1cnn(Cc2cccc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)c1 ZINC000415077758 1017511434 /nfs/dbraw/zinc/51/14/34/1017511434.db2.gz FFXBXFQRRGSKMS-YADHBBJMSA-N 1 3 346.478 3.514 20 0 EHADHO Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000683722551 1018170750 /nfs/dbraw/zinc/17/07/50/1018170750.db2.gz GZOPPDRZUFJYMH-LJQANCHMSA-N 1 3 328.500 3.636 20 0 EHADHO CCc1noc(C)c1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820920 1032845792 /nfs/dbraw/zinc/84/57/92/1032845792.db2.gz IDLDGUIJILMWTJ-UHFFFAOYSA-N 1 3 342.487 3.679 20 0 EHADHO Cc1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cnc1F ZINC000894227916 1019705837 /nfs/dbraw/zinc/70/58/37/1019705837.db2.gz XMXBYUNCKHTURR-FQEVSTJZSA-N 1 3 327.447 3.531 20 0 EHADHO C[C@H](COCc1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001167442282 1020351073 /nfs/dbraw/zinc/35/10/73/1020351073.db2.gz CCGJQACBBKLPQG-FPOVZHCZSA-N 1 3 330.516 3.790 20 0 EHADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501074737 1020694756 /nfs/dbraw/zinc/69/47/56/1020694756.db2.gz FXTOAHQSADAVFB-GOSISDBHSA-N 1 3 335.511 3.625 20 0 EHADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501074737 1020694760 /nfs/dbraw/zinc/69/47/60/1020694760.db2.gz FXTOAHQSADAVFB-GOSISDBHSA-N 1 3 335.511 3.625 20 0 EHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593113 1020844126 /nfs/dbraw/zinc/84/41/26/1020844126.db2.gz DEYPBJZGGMAEFD-GHTZIAJQSA-N 1 3 338.495 3.852 20 0 EHADHO CC[NH+]1CCC(N[C@H]2CCCc3c(Br)cccc32)CC1 ZINC000341199982 1021085621 /nfs/dbraw/zinc/08/56/21/1021085621.db2.gz ZFBJGEFVDMGKJP-KRWDZBQOSA-N 1 3 337.305 3.900 20 0 EHADHO c1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656683187 1021160833 /nfs/dbraw/zinc/16/08/33/1021160833.db2.gz IYNJGUJJHPIQLN-QFIPXVFZSA-N 1 3 335.495 3.961 20 0 EHADHO Fc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000656683515 1021166146 /nfs/dbraw/zinc/16/61/46/1021166146.db2.gz MNPKIHTXGMFBNN-NRFANRHFSA-N 1 3 339.458 3.710 20 0 EHADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000427540689 1021456289 /nfs/dbraw/zinc/45/62/89/1021456289.db2.gz NNRBZSWECJTCQW-ZVDOUQERSA-N 1 3 332.532 3.733 20 0 EHADHO C[C@H](C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000415002910 1021589435 /nfs/dbraw/zinc/58/94/35/1021589435.db2.gz MQPOWXPSYBLSJL-LKUPVBHCSA-N 1 3 326.459 3.912 20 0 EHADHO c1ccc(CC[NH+]2CCC(NCc3cccc4c3CCCN4)CC2)cc1 ZINC000415021478 1022165332 /nfs/dbraw/zinc/16/53/32/1022165332.db2.gz AZAPYXLNGRCALU-UHFFFAOYSA-N 1 3 349.522 3.841 20 0 EHADHO C[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)CN(C)C ZINC000425915682 1022199293 /nfs/dbraw/zinc/19/92/93/1022199293.db2.gz DJWPSISICILYAX-KXBFYZLASA-N 1 3 331.891 3.806 20 0 EHADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976685 1022408354 /nfs/dbraw/zinc/40/83/54/1022408354.db2.gz SAEHGRVILLDCRZ-KBAYOESNSA-N 1 3 340.471 3.509 20 0 EHADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000894613707 1022618089 /nfs/dbraw/zinc/61/80/89/1022618089.db2.gz QCOXXBIRWYUSGW-JTQLQIEISA-N 1 3 335.801 3.746 20 0 EHADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000518076916 1022972299 /nfs/dbraw/zinc/97/22/99/1022972299.db2.gz PNZVDACAVPKGHJ-MJGOQNOKSA-N 1 3 344.547 3.833 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429518 1023293323 /nfs/dbraw/zinc/29/33/23/1023293323.db2.gz JQJYRRDSIWCGDG-DYVFJYSZSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429518 1023293325 /nfs/dbraw/zinc/29/33/25/1023293325.db2.gz JQJYRRDSIWCGDG-DYVFJYSZSA-N 1 3 339.321 3.920 20 0 EHADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092559959 1023449994 /nfs/dbraw/zinc/44/99/94/1023449994.db2.gz LTONBXMAPDHVDS-WWDZGPRUSA-N 1 3 338.536 3.741 20 0 EHADHO C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644555 1023984048 /nfs/dbraw/zinc/98/40/48/1023984048.db2.gz IVGXVWSQHJTHGQ-UYAOXDASSA-N 1 3 331.548 3.559 20 0 EHADHO C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644555 1023984063 /nfs/dbraw/zinc/98/40/63/1023984063.db2.gz IVGXVWSQHJTHGQ-UYAOXDASSA-N 1 3 331.548 3.559 20 0 EHADHO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC000192440990 1024010226 /nfs/dbraw/zinc/01/02/26/1024010226.db2.gz DNWLRTNATMXYRK-HXUWFJFHSA-N 1 3 342.527 3.797 20 0 EHADHO C[C@@H]1C[C@@H](NCCc2ccccc2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168021620 1024116135 /nfs/dbraw/zinc/11/61/35/1024116135.db2.gz QOAQBKQLHKWJCN-RMFSNUHRSA-N 1 3 338.495 3.966 20 0 EHADHO C[C@@H]1C[C@@H](NCCc2ccccc2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021620 1024116139 /nfs/dbraw/zinc/11/61/39/1024116139.db2.gz QOAQBKQLHKWJCN-RMFSNUHRSA-N 1 3 338.495 3.966 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452746 1024572372 /nfs/dbraw/zinc/57/23/72/1024572372.db2.gz GEBZBVITVOKBGZ-GASCZTMLSA-N 1 3 344.421 3.684 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)C[C@H](C)N1Cc1ccccc1 ZINC001168008508 1024606538 /nfs/dbraw/zinc/60/65/38/1024606538.db2.gz FFIATPLGQUXSSS-YHELAOLJSA-N 1 3 329.532 3.502 20 0 EHADHO CC(C)C[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccccc1 ZINC000474276471 1024680764 /nfs/dbraw/zinc/68/07/64/1024680764.db2.gz RNAXROWYOICCRO-FQEVSTJZSA-N 1 3 332.532 3.595 20 0 EHADHO CC(C)C[C@@H](CN1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000474276471 1024680771 /nfs/dbraw/zinc/68/07/71/1024680771.db2.gz RNAXROWYOICCRO-FQEVSTJZSA-N 1 3 332.532 3.595 20 0 EHADHO CC(C)C[C@@H](CN1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000474276471 1024680773 /nfs/dbraw/zinc/68/07/73/1024680773.db2.gz RNAXROWYOICCRO-FQEVSTJZSA-N 1 3 332.532 3.595 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000283401739 1024792244 /nfs/dbraw/zinc/79/22/44/1024792244.db2.gz QJZSLURBYPDSKF-WOJBJXKFSA-N 1 3 344.499 3.631 20 0 EHADHO COc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375029 1024841483 /nfs/dbraw/zinc/84/14/83/1024841483.db2.gz ZAOPUYIVLHZLDS-NVXWUHKLSA-N 1 3 340.467 3.540 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccccn4)[C@H]3C2)cc1 ZINC000428213327 1025051536 /nfs/dbraw/zinc/05/15/36/1025051536.db2.gz RNLBLRSFCREILG-PMVMPFDFSA-N 1 3 349.522 3.905 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCc3cc(N)ccc32)CC1 ZINC000665270943 1025138801 /nfs/dbraw/zinc/13/88/01/1025138801.db2.gz DALNAITYYDQSSN-UZUQRXQVSA-N 1 3 349.522 3.941 20 0 EHADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)N1CCCCC1 ZINC000346856163 1025245097 /nfs/dbraw/zinc/24/50/97/1025245097.db2.gz DUODZOCWOWHCGZ-MSOLQXFVSA-N 1 3 326.488 3.787 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(-c3scnc3C)cc2)C1 ZINC000657337148 1025272293 /nfs/dbraw/zinc/27/22/93/1025272293.db2.gz KNFFLLFCGDRJRK-KRWDZBQOSA-N 1 3 329.513 3.940 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CO1 ZINC000657354834 1025426980 /nfs/dbraw/zinc/42/69/80/1025426980.db2.gz VVTKHZQEGFANFS-ZWKOTPCHSA-N 1 3 336.907 3.709 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1OC ZINC000474822618 1025516131 /nfs/dbraw/zinc/51/61/31/1025516131.db2.gz PSKXQUMORVSDBG-ATLSCFEFSA-N 1 3 334.504 3.658 20 0 EHADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000442873305 1025545743 /nfs/dbraw/zinc/54/57/43/1025545743.db2.gz KSZFEFCRYGQNOM-OAQYLSRUSA-N 1 3 343.559 3.803 20 0 EHADHO Cc1ccc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)[nH]c2c1 ZINC000657615443 1027657214 /nfs/dbraw/zinc/65/72/14/1027657214.db2.gz ODUWUMREXTXRCJ-UHFFFAOYSA-N 1 3 348.494 3.873 20 0 EHADHO CC[C@H](C[N@H+](CC)CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000501960445 1027667755 /nfs/dbraw/zinc/66/77/55/1027667755.db2.gz YYFMVSPHJJLAMU-OAQYLSRUSA-N 1 3 345.575 3.918 20 0 EHADHO CC[C@H](C[N@@H+](CC)CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000501960445 1027667759 /nfs/dbraw/zinc/66/77/59/1027667759.db2.gz YYFMVSPHJJLAMU-OAQYLSRUSA-N 1 3 345.575 3.918 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000350219096 1027742190 /nfs/dbraw/zinc/74/21/90/1027742190.db2.gz LKXHSSDQWAPIQF-UHFFFAOYSA-N 1 3 340.515 3.735 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422702248 1027861848 /nfs/dbraw/zinc/86/18/48/1027861848.db2.gz KIIHUJSBJMZOCA-HZPDHXFCSA-N 1 3 326.406 3.987 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422707452 1027866024 /nfs/dbraw/zinc/86/60/24/1027866024.db2.gz ABNQARSAEYXKGG-SIFCLUCFSA-N 1 3 330.447 3.834 20 0 EHADHO Brc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000422737679 1027904147 /nfs/dbraw/zinc/90/41/47/1027904147.db2.gz HOUNRJSMZWVSIL-SJPCQFCGSA-N 1 3 349.316 3.743 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422739667 1027905510 /nfs/dbraw/zinc/90/55/10/1027905510.db2.gz LUMFQXQXBIHLGA-XJKSGUPXSA-N 1 3 337.305 3.588 20 0 EHADHO COc1ccc(C[C@H](N[C@H](C)C[C@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000422772587 1027929643 /nfs/dbraw/zinc/92/96/43/1027929643.db2.gz SNVWUSFUTHCLOH-MRUHUIDDSA-N 1 3 342.483 3.703 20 0 EHADHO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422790360 1027964062 /nfs/dbraw/zinc/96/40/62/1027964062.db2.gz TXQNWCWJKURQGW-YWZLYKJASA-N 1 3 327.472 3.905 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422838046 1027978091 /nfs/dbraw/zinc/97/80/91/1027978091.db2.gz NUDCDIYEIFXYFB-BFUOFWGJSA-N 1 3 327.497 3.530 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000422843133 1028003436 /nfs/dbraw/zinc/00/34/36/1028003436.db2.gz HCZFWHLXBRNLOK-MAUKXSAKSA-N 1 3 329.419 3.620 20 0 EHADHO Cc1ccc(-c2nc(CC[NH2+][C@H]3C[C@H](N)c4ccccc43)co2)cc1 ZINC000422878519 1028012613 /nfs/dbraw/zinc/01/26/13/1028012613.db2.gz KDASMMMCRRKLQE-PMACEKPBSA-N 1 3 333.435 3.927 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883949 1028017513 /nfs/dbraw/zinc/01/75/13/1028017513.db2.gz VZAKANHQFJPTCP-WTGUMLROSA-N 1 3 345.531 3.625 20 0 EHADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422885912 1028019875 /nfs/dbraw/zinc/01/98/75/1028019875.db2.gz ZLMJATRBIPXZNY-JFIYKMOQSA-N 1 3 335.923 3.582 20 0 EHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422908684 1028042079 /nfs/dbraw/zinc/04/20/79/1028042079.db2.gz YZKGNHICXRLBHE-HZPDHXFCSA-N 1 3 326.406 3.987 20 0 EHADHO CCc1cccc2c(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)c[nH]c21 ZINC000422915058 1028050025 /nfs/dbraw/zinc/05/00/25/1028050025.db2.gz WXXCZMMLMUBFCQ-AWEZNQCLSA-N 1 3 336.483 3.786 20 0 EHADHO CCO[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H]1SC ZINC000459371824 1028060328 /nfs/dbraw/zinc/06/03/28/1028060328.db2.gz HGGSYRUFCQEQLJ-VAMGGRTRSA-N 1 3 348.556 3.671 20 0 EHADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422939805 1028067585 /nfs/dbraw/zinc/06/75/85/1028067585.db2.gz RVHHRWZJGRWLBH-TUNNFDKTSA-N 1 3 334.463 3.828 20 0 EHADHO c1ccc(C2(N[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)cc1 ZINC000422943184 1028069632 /nfs/dbraw/zinc/06/96/32/1028069632.db2.gz QMUFIABRONYAAK-TZIWHRDSSA-N 1 3 334.463 3.911 20 0 EHADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422955390 1028095683 /nfs/dbraw/zinc/09/56/83/1028095683.db2.gz JDWRVOCRDVSZBR-BDRMCPCVSA-N 1 3 334.463 3.765 20 0 EHADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000120672030 1028097951 /nfs/dbraw/zinc/09/79/51/1028097951.db2.gz JAOPGNGBGYBXKI-OAHLLOKOSA-N 1 3 345.512 3.715 20 0 EHADHO CCCOc1cccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422994188 1028099733 /nfs/dbraw/zinc/09/97/33/1028099733.db2.gz UULYOKLHJZZKMC-HNNXBMFYSA-N 1 3 327.472 3.531 20 0 EHADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423009733 1028121647 /nfs/dbraw/zinc/12/16/47/1028121647.db2.gz DOZBBBKZLRYKQH-KVPLUYHFSA-N 1 3 345.506 3.695 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(c2ccccc2Cl)CC1 ZINC000423015944 1028126614 /nfs/dbraw/zinc/12/66/14/1028126614.db2.gz AQMBLBAQVFBVFW-BEFAXECRSA-N 1 3 328.887 3.920 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1csc(C(C)(C)C)n1 ZINC000423027220 1028134990 /nfs/dbraw/zinc/13/49/90/1028134990.db2.gz QXSPWMCPLCFBNM-RHSMWYFYSA-N 1 3 331.529 3.531 20 0 EHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423146217 1028205979 /nfs/dbraw/zinc/20/59/79/1028205979.db2.gz OQAPGOWKSOKFSD-HAGHYFMRSA-N 1 3 347.572 3.522 20 0 EHADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423175819 1028245572 /nfs/dbraw/zinc/24/55/72/1028245572.db2.gz FGCQFLSQYWSVIK-GBLZOACLSA-N 1 3 337.442 3.983 20 0 EHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCC[C@H](C)[NH3+])nc1 ZINC000423227322 1028294505 /nfs/dbraw/zinc/29/45/05/1028294505.db2.gz VHNDTGCVBQIGKH-MGPUTAFESA-N 1 3 345.918 3.778 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423286046 1028325591 /nfs/dbraw/zinc/32/55/91/1028325591.db2.gz ZHUHMPOMYGYION-NOLJZWGESA-N 1 3 330.501 3.682 20 0 EHADHO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2(N)CCC2)CCC3)cc1 ZINC000423329267 1028366922 /nfs/dbraw/zinc/36/69/22/1028366922.db2.gz ONXOBMRIYIGSPB-HNNXBMFYSA-N 1 3 327.497 3.967 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000423359998 1028385870 /nfs/dbraw/zinc/38/58/70/1028385870.db2.gz DYZSXBQIDLGIFH-IJEWVQPXSA-N 1 3 328.378 3.896 20 0 EHADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423505825 1028469174 /nfs/dbraw/zinc/46/91/74/1028469174.db2.gz HIUVRTAANGQAAX-MXEMCNAFSA-N 1 3 335.495 3.761 20 0 EHADHO COc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(OC)c1 ZINC000423515984 1028489572 /nfs/dbraw/zinc/48/95/72/1028489572.db2.gz XUYQASDBKDQAQD-DNVCBOLYSA-N 1 3 328.456 3.835 20 0 EHADHO COc1ncc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423520182 1028496514 /nfs/dbraw/zinc/49/65/14/1028496514.db2.gz QZGXSQKSURJEHC-SUMWQHHRSA-N 1 3 333.863 3.874 20 0 EHADHO C[C@@H]1C[C@H](CN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754162 1028549656 /nfs/dbraw/zinc/54/96/56/1028549656.db2.gz NJKBVUWAULEAEJ-XNJGSVPQSA-N 1 3 332.879 3.741 20 0 EHADHO C[C@@H](c1ccccc1Br)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414757934 1028585573 /nfs/dbraw/zinc/58/55/73/1028585573.db2.gz MCJRCUOGQRICGR-HZSPNIEDSA-N 1 3 325.294 3.830 20 0 EHADHO CC[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000246878455 1028706143 /nfs/dbraw/zinc/70/61/43/1028706143.db2.gz DVQUAELUQDNBSE-UTKZUKDTSA-N 1 3 340.515 3.893 20 0 EHADHO CC[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000246878455 1028706160 /nfs/dbraw/zinc/70/61/60/1028706160.db2.gz DVQUAELUQDNBSE-UTKZUKDTSA-N 1 3 340.515 3.893 20 0 EHADHO Cc1c([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnn1C ZINC000249039705 1028978692 /nfs/dbraw/zinc/97/86/92/1028978692.db2.gz UJYZFGNUOLOEJG-QLIIJSOBSA-N 1 3 338.499 3.575 20 0 EHADHO Cc1nc2c(s1)[C@@H](N(C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000583147609 1028985040 /nfs/dbraw/zinc/98/50/40/1028985040.db2.gz OYNUEGJLVAIQHU-SFHVURJKSA-N 1 3 327.497 3.607 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117353 1029062254 /nfs/dbraw/zinc/06/22/54/1029062254.db2.gz ZSWVPKFMYYUTFV-SJORKVTESA-N 1 3 336.907 3.915 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117353 1029062272 /nfs/dbraw/zinc/06/22/72/1029062272.db2.gz ZSWVPKFMYYUTFV-SJORKVTESA-N 1 3 336.907 3.915 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414793522 1029098136 /nfs/dbraw/zinc/09/81/36/1029098136.db2.gz DNNQHCNTMUZFTL-PVXIVEMSSA-N 1 3 343.284 3.626 20 0 EHADHO Cc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000414807763 1029231744 /nfs/dbraw/zinc/23/17/44/1029231744.db2.gz RMEDCDBKCVECST-MJGOQNOKSA-N 1 3 325.456 3.789 20 0 EHADHO Cc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000414807639 1029232514 /nfs/dbraw/zinc/23/25/14/1029232514.db2.gz RMEDCDBKCVECST-HKUYNNGSSA-N 1 3 325.456 3.789 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000414811201 1029302826 /nfs/dbraw/zinc/30/28/26/1029302826.db2.gz PEMXHRCGIGIUDM-NSHDSACASA-N 1 3 337.236 3.898 20 0 EHADHO CCCC[C@H](C[NH3+])N[C@@H](C)Cc1ccc(Br)cc1F ZINC000414816734 1029370697 /nfs/dbraw/zinc/37/06/97/1029370697.db2.gz QIJCTWVDVXATCW-SMDDNHRTSA-N 1 3 331.273 3.626 20 0 EHADHO FC(F)(F)c1cccc([C@@]2(F)CCN(CC3CC[NH2+]CC3)C2)c1 ZINC000261878127 1029523202 /nfs/dbraw/zinc/52/32/02/1029523202.db2.gz VXTWVAKIAUCTTE-MRXNPFEDSA-N 1 3 330.369 3.576 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000272628374 1029541676 /nfs/dbraw/zinc/54/16/76/1029541676.db2.gz AIVLSSOEWDKFPZ-BHDDXSALSA-N 1 3 335.495 3.514 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(C)cc2)C2CCCC2)CC1 ZINC000446750064 1029781015 /nfs/dbraw/zinc/78/10/15/1029781015.db2.gz DPRIYXPEWMORLS-JOCHJYFZSA-N 1 3 343.559 3.844 20 0 EHADHO c1sc(-c2ccccc2)nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884018 1029846672 /nfs/dbraw/zinc/84/66/72/1029846672.db2.gz KZTFLCQMURBSLJ-UHFFFAOYSA-N 1 3 327.497 3.774 20 0 EHADHO C[C@H](NCCOCC[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000447591122 1030329567 /nfs/dbraw/zinc/32/95/67/1030329567.db2.gz BVASADVPXUAZAD-HNNXBMFYSA-N 1 3 326.440 3.815 20 0 EHADHO C[C@@H]1C[C@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168091693 1030413156 /nfs/dbraw/zinc/41/31/56/1030413156.db2.gz BGYPYIJNASFLDB-CZUORRHYSA-N 1 3 342.405 3.523 20 0 EHADHO Cc1ccc(-c2ncc(CN3CCC(CC[NH+](C)C)CC3)s2)o1 ZINC000092381332 1030439242 /nfs/dbraw/zinc/43/92/42/1030439242.db2.gz CELBDPOEDTTZBF-UHFFFAOYSA-N 1 3 333.501 3.875 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000532186754 1030464204 /nfs/dbraw/zinc/46/42/04/1030464204.db2.gz IMEQACSRNWYURT-OAHLLOKOSA-N 1 3 331.504 3.611 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000447854909 1030544376 /nfs/dbraw/zinc/54/43/76/1030544376.db2.gz OOOMJTYSTLZVTB-KRWDZBQOSA-N 1 3 326.488 3.821 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000447854909 1030544391 /nfs/dbraw/zinc/54/43/91/1030544391.db2.gz OOOMJTYSTLZVTB-KRWDZBQOSA-N 1 3 326.488 3.821 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650753202 1030693792 /nfs/dbraw/zinc/69/37/92/1030693792.db2.gz ITHOBPJTQITYAP-AWEZNQCLSA-N 1 3 338.430 3.629 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681712 1030745630 /nfs/dbraw/zinc/74/56/30/1030745630.db2.gz JMWROZLYCJWGFP-DZFGPLHGSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681712 1030745641 /nfs/dbraw/zinc/74/56/41/1030745641.db2.gz JMWROZLYCJWGFP-DZFGPLHGSA-N 1 3 348.531 3.873 20 0 EHADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883243 1030760160 /nfs/dbraw/zinc/76/01/60/1030760160.db2.gz WVMVBJRYKLFAID-NJYVYQBISA-N 1 3 342.527 3.693 20 0 EHADHO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000278457216 1030939669 /nfs/dbraw/zinc/93/96/69/1030939669.db2.gz MFDSYRJABNTQES-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000278457216 1030939688 /nfs/dbraw/zinc/93/96/88/1030939688.db2.gz MFDSYRJABNTQES-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457216 1030939705 /nfs/dbraw/zinc/93/97/05/1030939705.db2.gz MFDSYRJABNTQES-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO CC[NH+]1CCC(CNCc2ccc(Br)c(F)c2F)CC1 ZINC000527655180 1031114808 /nfs/dbraw/zinc/11/48/08/1031114808.db2.gz YTYMBCZLRFQDAB-UHFFFAOYSA-N 1 3 347.247 3.549 20 0 EHADHO C[C@H](CC1CC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551259737 1031167453 /nfs/dbraw/zinc/16/74/53/1031167453.db2.gz QIFSRACJYAQRQC-NQIIRXRSSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)CCN1Cc1ccccc1 ZINC000527810937 1031247834 /nfs/dbraw/zinc/24/78/34/1031247834.db2.gz QCNIJIYTMORAJS-KAGYGMCKSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000484130341 1031461224 /nfs/dbraw/zinc/46/12/24/1031461224.db2.gz MFNGZYXXJAJMNY-CMKODMSKSA-N 1 3 329.532 3.580 20 0 EHADHO Cc1sc(CNC2CCN(c3cc[nH+]cc3)CC2)nc1C(C)C ZINC000459405811 1032046018 /nfs/dbraw/zinc/04/60/18/1032046018.db2.gz NRCCQGLTTZGHQN-UHFFFAOYSA-N 1 3 330.501 3.729 20 0 EHADHO C[N@@H+]1CCC[C@H](CNCc2n[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000608059986 1033452860 /nfs/dbraw/zinc/45/28/60/1033452860.db2.gz UHTLKYYYMXFJTF-KUHUBIRLSA-N 1 3 340.496 3.797 20 0 EHADHO C[N@H+]1CCC[C@H](CNCc2n[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000608059986 1033452871 /nfs/dbraw/zinc/45/28/71/1033452871.db2.gz UHTLKYYYMXFJTF-KUHUBIRLSA-N 1 3 340.496 3.797 20 0 EHADHO C[NH+](C)C1CCC(NC2(c3ccccc3Br)CC2)CC1 ZINC001168303735 1033684974 /nfs/dbraw/zinc/68/49/74/1033684974.db2.gz AZHWYCLQTRCTFM-UHFFFAOYSA-N 1 3 337.305 3.901 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168076 1034031319 /nfs/dbraw/zinc/03/13/19/1034031319.db2.gz RSTQCPDPGCAHSF-QGZVFWFLSA-N 1 3 339.483 3.653 20 0 EHADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168850 1034034480 /nfs/dbraw/zinc/03/44/80/1034034480.db2.gz ZQPITRZJDSJBFU-VGSWGCGISA-N 1 3 335.495 3.817 20 0 EHADHO COc1ccccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167429 1034035348 /nfs/dbraw/zinc/03/53/48/1034035348.db2.gz OZOYPJLKRGTGMR-KRWDZBQOSA-N 1 3 339.483 3.653 20 0 EHADHO COCCC[NH+]1CCC(NC/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000119027456 1034053985 /nfs/dbraw/zinc/05/39/85/1034053985.db2.gz SZVQXZSZMAQHTB-JQIJEIRASA-N 1 3 336.907 3.834 20 0 EHADHO C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000658236824 1034102749 /nfs/dbraw/zinc/10/27/49/1034102749.db2.gz BTPSTRDOMXBIFH-VFNWGFHPSA-N 1 3 340.467 3.671 20 0 EHADHO COC(=O)c1oc(CNC2CCC([NH+]3CCC(C)CC3)CC2)cc1C ZINC000597062841 1034517211 /nfs/dbraw/zinc/51/72/11/1034517211.db2.gz BMXGGMBEIIEALP-UHFFFAOYSA-N 1 3 348.487 3.507 20 0 EHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000569743647 1034647047 /nfs/dbraw/zinc/64/70/47/1034647047.db2.gz BHFWGCLDZIGCNK-CVAIRZPRSA-N 1 3 337.467 3.859 20 0 EHADHO CC(CN1CC[C@@H](c2ccco2)C1)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576708 1034724349 /nfs/dbraw/zinc/72/43/49/1034724349.db2.gz OODSDGGOSKXDSV-QZTJIDSGSA-N 1 3 328.456 3.788 20 0 EHADHO CC(CN1CC[C@@H](c2ccco2)C1)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576708 1034724360 /nfs/dbraw/zinc/72/43/60/1034724360.db2.gz OODSDGGOSKXDSV-QZTJIDSGSA-N 1 3 328.456 3.788 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062170 1035422948 /nfs/dbraw/zinc/42/29/48/1035422948.db2.gz KZAFWGNURINNGY-QUCCMNQESA-N 1 3 349.950 3.593 20 0 EHADHO C[C@H]([NH2+]CCOc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492351887 1035654953 /nfs/dbraw/zinc/65/49/53/1035654953.db2.gz NUKOEWWLIXFKNX-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492351887 1035654959 /nfs/dbraw/zinc/65/49/59/1035654959.db2.gz NUKOEWWLIXFKNX-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351887 1035654963 /nfs/dbraw/zinc/65/49/63/1035654963.db2.gz NUKOEWWLIXFKNX-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136941 1035716437 /nfs/dbraw/zinc/71/64/37/1035716437.db2.gz JHBXMBMTYNIHNZ-ZFMNYDKASA-N 1 3 342.527 3.549 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000414169874 1035869039 /nfs/dbraw/zinc/86/90/39/1035869039.db2.gz BQRISIYQFUHEOA-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169874 1035869065 /nfs/dbraw/zinc/86/90/65/1035869065.db2.gz BQRISIYQFUHEOA-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687507 1035974751 /nfs/dbraw/zinc/97/47/51/1035974751.db2.gz LCPPXJIEHNKGER-RXVVDRJESA-N 1 3 348.490 3.983 20 0 EHADHO C[C@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687507 1035974765 /nfs/dbraw/zinc/97/47/65/1035974765.db2.gz LCPPXJIEHNKGER-RXVVDRJESA-N 1 3 348.490 3.983 20 0 EHADHO Cc1ncc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1C ZINC000572180177 1036036474 /nfs/dbraw/zinc/03/64/74/1036036474.db2.gz PKSFVKKISVPHDD-UHFFFAOYSA-N 1 3 348.494 3.747 20 0 EHADHO CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000398017862 1036488377 /nfs/dbraw/zinc/48/83/77/1036488377.db2.gz IIMLWVUPDSMPQV-YUXAGFNASA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000398017862 1036488394 /nfs/dbraw/zinc/48/83/94/1036488394.db2.gz IIMLWVUPDSMPQV-YUXAGFNASA-N 1 3 338.495 3.874 20 0 EHADHO C[C@@H]1CC([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@@H](C)O1 ZINC000539408176 1036728656 /nfs/dbraw/zinc/72/86/56/1036728656.db2.gz GRGYORYPMCFJKK-GPMSIDNRSA-N 1 3 344.499 3.520 20 0 EHADHO C[N@H+](CCOc1ccccc1F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464842312 1036884222 /nfs/dbraw/zinc/88/42/22/1036884222.db2.gz GFHGYOXCIZPTIL-IBGZPJMESA-N 1 3 342.458 3.658 20 0 EHADHO C[N@@H+](CCOc1ccccc1F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464842312 1036884246 /nfs/dbraw/zinc/88/42/46/1036884246.db2.gz GFHGYOXCIZPTIL-IBGZPJMESA-N 1 3 342.458 3.658 20 0 EHADHO C[N@H+](CCOc1cccc(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464847042 1036888102 /nfs/dbraw/zinc/88/81/02/1036888102.db2.gz TXFSLLLXPDGWPQ-IBGZPJMESA-N 1 3 342.458 3.658 20 0 EHADHO C[N@@H+](CCOc1cccc(F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464847042 1036888121 /nfs/dbraw/zinc/88/81/21/1036888121.db2.gz TXFSLLLXPDGWPQ-IBGZPJMESA-N 1 3 342.458 3.658 20 0 EHADHO CCCN1CCC([NH2+][C@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 ZINC000666353092 1036892704 /nfs/dbraw/zinc/89/27/04/1036892704.db2.gz ZXBPWSROMVWQPD-OAQYLSRUSA-N 1 3 340.515 3.705 20 0 EHADHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCCCC1 ZINC000310902675 1036923540 /nfs/dbraw/zinc/92/35/40/1036923540.db2.gz BEJYEEZMZSQWSS-PWRODBHTSA-N 1 3 342.527 3.572 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C(C)(C)O1 ZINC000311042353 1036947553 /nfs/dbraw/zinc/94/75/53/1036947553.db2.gz FFSBSCVOFYGFHT-WCIQWLHISA-N 1 3 342.527 3.833 20 0 EHADHO COc1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312259682 1037153349 /nfs/dbraw/zinc/15/33/49/1037153349.db2.gz UEGGBWVFOUTEDP-VQIMIIECSA-N 1 3 342.458 3.835 20 0 EHADHO Cc1nc(C)c([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000171129961 1037467318 /nfs/dbraw/zinc/46/73/18/1037467318.db2.gz UASYJLSVORZQOS-AWEZNQCLSA-N 1 3 347.528 3.941 20 0 EHADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505376 1037533972 /nfs/dbraw/zinc/53/39/72/1037533972.db2.gz HAEDRWSLPJXDFU-UONOGXRCSA-N 1 3 330.925 3.535 20 0 EHADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000532521096 1037560346 /nfs/dbraw/zinc/56/03/46/1037560346.db2.gz ZZBAOOWGVOBQKH-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000532521096 1037560358 /nfs/dbraw/zinc/56/03/58/1037560358.db2.gz ZZBAOOWGVOBQKH-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1noc(C)c1CN(C)CCCCC[N@H+](C)Cc1c(C)noc1C ZINC000157560481 1037731093 /nfs/dbraw/zinc/73/10/93/1037731093.db2.gz SPBKPXGTJMGORB-UHFFFAOYSA-N 1 3 348.491 3.630 20 0 EHADHO Cc1noc(C)c1CN(C)CCCCC[N@@H+](C)Cc1c(C)noc1C ZINC000157560481 1037731109 /nfs/dbraw/zinc/73/11/09/1037731109.db2.gz SPBKPXGTJMGORB-UHFFFAOYSA-N 1 3 348.491 3.630 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000173319246 1038029095 /nfs/dbraw/zinc/02/90/95/1038029095.db2.gz ZQEAGIHZAQMOBX-SFHVURJKSA-N 1 3 331.548 3.662 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477916242 1039030338 /nfs/dbraw/zinc/03/03/38/1039030338.db2.gz KDWWSLAOOUTJGD-INIZCTEOSA-N 1 3 328.504 3.596 20 0 EHADHO c1ccc([C@H]2C[C@H]2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000668512141 1039233681 /nfs/dbraw/zinc/23/36/81/1039233681.db2.gz KAVRIRJDUXVPNK-FCHUYYIVSA-N 1 3 335.495 3.687 20 0 EHADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000480660253 1039822906 /nfs/dbraw/zinc/82/29/06/1039822906.db2.gz HSOXCXORRROGFV-LNRIEFBSSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000480660253 1039822930 /nfs/dbraw/zinc/82/29/30/1039822930.db2.gz HSOXCXORRROGFV-LNRIEFBSSA-N 1 3 326.406 3.970 20 0 EHADHO CSC1(CN[C@H](C)c2ccc(F)cc2Cl)CC[NH+](C)CC1 ZINC000554997740 1040038616 /nfs/dbraw/zinc/03/86/16/1040038616.db2.gz BPLUMLHNFMPRLH-GFCCVEGCSA-N 1 3 330.900 3.957 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489555820 1040070776 /nfs/dbraw/zinc/07/07/76/1040070776.db2.gz IYEJNMJKTMWKFY-NEPJUHHUSA-N 1 3 329.257 3.581 20 0 EHADHO C/C(=C\c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000555099227 1040156459 /nfs/dbraw/zinc/15/64/59/1040156459.db2.gz KXKTUDZFMGTNEF-ZTMPEJBFSA-N 1 3 338.442 3.963 20 0 EHADHO C/C(=C\c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000555099227 1040156465 /nfs/dbraw/zinc/15/64/65/1040156465.db2.gz KXKTUDZFMGTNEF-ZTMPEJBFSA-N 1 3 338.442 3.963 20 0 EHADHO CC(C)c1ccc(CN2CCC3(C[NH2+]C3)CC2)c(Br)c1 ZINC001222209117 1040448615 /nfs/dbraw/zinc/44/86/15/1040448615.db2.gz WULZICZHTVMZSP-UHFFFAOYSA-N 1 3 337.305 3.758 20 0 EHADHO c1cn([C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)cn1 ZINC000662751188 1042013188 /nfs/dbraw/zinc/01/31/88/1042013188.db2.gz OKYOMQNFMZFCOI-NRFANRHFSA-N 1 3 338.499 3.706 20 0 EHADHO COc1ccc([C@@H](NCCCC[N@H+](C)C2CC2)c2ccccn2)cc1 ZINC000652207101 1042269695 /nfs/dbraw/zinc/26/96/95/1042269695.db2.gz CGYWMRCGZAGNLD-OAQYLSRUSA-N 1 3 339.483 3.644 20 0 EHADHO COc1ccc([C@@H](NCCCC[N@@H+](C)C2CC2)c2ccccn2)cc1 ZINC000652207101 1042269700 /nfs/dbraw/zinc/26/97/00/1042269700.db2.gz CGYWMRCGZAGNLD-OAQYLSRUSA-N 1 3 339.483 3.644 20 0 EHADHO C[C@@H](c1cccs1)N(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253402 1042636783 /nfs/dbraw/zinc/63/67/83/1042636783.db2.gz USYVSUJFBLDMJX-FUHWJXTLSA-N 1 3 342.508 3.832 20 0 EHADHO COc1cc(CN(C)Cc2cccc3c2CC[NH2+]C3)ccc1SC ZINC000662254411 1042638596 /nfs/dbraw/zinc/63/85/96/1042638596.db2.gz QLURZNMJAVGKIH-UHFFFAOYSA-N 1 3 342.508 3.695 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925778172 1042905809 /nfs/dbraw/zinc/90/58/09/1042905809.db2.gz IHCSEVZEEOTRPQ-TZMCWYRMSA-N 1 3 347.247 3.735 20 0 EHADHO CC(C)COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408887 1043107262 /nfs/dbraw/zinc/10/72/62/1043107262.db2.gz WIUODYYPZYWZIM-MOPGFXCFSA-N 1 3 348.531 3.873 20 0 EHADHO CC(C)COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432408887 1043107264 /nfs/dbraw/zinc/10/72/64/1043107264.db2.gz WIUODYYPZYWZIM-MOPGFXCFSA-N 1 3 348.531 3.873 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344134187 1043306691 /nfs/dbraw/zinc/30/66/91/1043306691.db2.gz RKYPOLQYDQSJHI-NRFANRHFSA-N 1 3 329.532 3.535 20 0 EHADHO COc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1OC1CC1 ZINC000623347948 1126926112 /nfs/dbraw/zinc/92/61/12/1126926112.db2.gz MQFPMCYDVXRDRS-UHFFFAOYSA-N 1 3 340.467 3.588 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356559 1126929181 /nfs/dbraw/zinc/92/91/81/1126929181.db2.gz XAUNNABTDZBSBV-OALUTQOASA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356559 1126929183 /nfs/dbraw/zinc/92/91/83/1126929183.db2.gz XAUNNABTDZBSBV-OALUTQOASA-N 1 3 349.950 3.939 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000623387880 1126941563 /nfs/dbraw/zinc/94/15/63/1126941563.db2.gz ZURSGAPDKJNHMN-KRWDZBQOSA-N 1 3 331.504 3.756 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120755 1127255756 /nfs/dbraw/zinc/25/57/56/1127255756.db2.gz GHVUKKNWNWQQSH-ZBFHGGJFSA-N 1 3 328.422 3.958 20 0 EHADHO COc1ccc2c(NC3CCN(Cc4ccccn4)CC3)cc[nH+]c2c1 ZINC000765468073 1127614828 /nfs/dbraw/zinc/61/48/28/1127614828.db2.gz HNKIGEMTCOPIJK-UHFFFAOYSA-N 1 3 348.450 3.715 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000765468667 1127614976 /nfs/dbraw/zinc/61/49/76/1127614976.db2.gz KNUALSZGICZUKU-UHFFFAOYSA-N 1 3 325.456 3.556 20 0 EHADHO CC(C)N1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288666 1127784983 /nfs/dbraw/zinc/78/49/83/1127784983.db2.gz UQUGHIKZIQJAMQ-KRWDZBQOSA-N 1 3 345.314 3.879 20 0 EHADHO COc1ccc([C@@H]2C[C@H]([NH2+]CCCN3CCC(C)CC3)CCO2)cc1 ZINC001168584856 1128104477 /nfs/dbraw/zinc/10/44/77/1128104477.db2.gz OCTUDOKVDOSIHL-CTNGQTDRSA-N 1 3 346.515 3.627 20 0 EHADHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1Br ZINC000715562303 1128572551 /nfs/dbraw/zinc/57/25/51/1128572551.db2.gz OEFJHBNSCXHHNQ-LSDHHAIUSA-N 1 3 325.294 3.720 20 0 EHADHO Cc1ccc(C)c(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000110427332 1128785718 /nfs/dbraw/zinc/78/57/18/1128785718.db2.gz YEZVJSXWXITRIC-RTBURBONSA-N 1 3 330.516 3.625 20 0 EHADHO CCOCc1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000073649926 1120088583 /nfs/dbraw/zinc/08/85/83/1120088583.db2.gz QFLVATDOMIQABC-UHFFFAOYSA-N 1 3 338.495 3.977 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC001648960679 1120281382 /nfs/dbraw/zinc/28/13/82/1120281382.db2.gz SRWUPGXUBLKNCK-LBPRGKRZSA-N 1 3 331.323 3.641 20 0 EHADHO Cc1nn(C)c(CNC2CCC([NH+]3CCC(C)CC3)CC2)c1Cl ZINC000921930792 1128931893 /nfs/dbraw/zinc/93/18/93/1128931893.db2.gz QRIQUNOVAKAZKO-UHFFFAOYSA-N 1 3 338.927 3.515 20 0 EHADHO C[C@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001168466778 1120671339 /nfs/dbraw/zinc/67/13/39/1120671339.db2.gz FFNGIIPKYAMDKU-QGZVFWFLSA-N 1 3 341.474 3.654 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494922624 1120906757 /nfs/dbraw/zinc/90/67/57/1120906757.db2.gz JZDQZXFXGMYRIH-ZIFCJYIRSA-N 1 3 347.551 3.774 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494922624 1120906761 /nfs/dbraw/zinc/90/67/61/1120906761.db2.gz JZDQZXFXGMYRIH-ZIFCJYIRSA-N 1 3 347.551 3.774 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000236759692 1121462308 /nfs/dbraw/zinc/46/23/08/1121462308.db2.gz BCIJVOWUFWHXIP-UHFFFAOYSA-N 1 3 330.394 3.939 20 0 EHADHO C[C@@H](CCN(C)C)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237550894 1121487457 /nfs/dbraw/zinc/48/74/57/1121487457.db2.gz KLUNCJZOWKVNRG-NSHDSACASA-N 1 3 329.271 3.699 20 0 EHADHO [NH3+]CCCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001235948359 1122084608 /nfs/dbraw/zinc/08/46/08/1122084608.db2.gz PXPUUBPLSDRKSN-UHFFFAOYSA-N 1 3 330.303 3.635 20 0 EHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC000125916174 1122358449 /nfs/dbraw/zinc/35/84/49/1122358449.db2.gz ZRJAYQIMZCJBPY-MAUKXSAKSA-N 1 3 347.503 3.660 20 0 EHADHO CSc1ccccc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000072759273 1123154644 /nfs/dbraw/zinc/15/46/44/1123154644.db2.gz CTFSUCRHOJASTI-INIZCTEOSA-N 1 3 349.544 3.543 20 0 EHADHO CSc1ccccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000072759273 1123154645 /nfs/dbraw/zinc/15/46/45/1123154645.db2.gz CTFSUCRHOJASTI-INIZCTEOSA-N 1 3 349.544 3.543 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000556872204 1123162035 /nfs/dbraw/zinc/16/20/35/1123162035.db2.gz GYQCLUWMRWMIKK-DJIMGWMZSA-N 1 3 342.405 3.676 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000556872204 1123162036 /nfs/dbraw/zinc/16/20/36/1123162036.db2.gz GYQCLUWMRWMIKK-DJIMGWMZSA-N 1 3 342.405 3.676 20 0 EHADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000246018527 1124001173 /nfs/dbraw/zinc/00/11/73/1124001173.db2.gz JKBORWIMKAFGGI-DNVCBOLYSA-N 1 3 340.458 3.754 20 0 EHADHO COC[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000246018527 1124001179 /nfs/dbraw/zinc/00/11/79/1124001179.db2.gz JKBORWIMKAFGGI-DNVCBOLYSA-N 1 3 340.458 3.754 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248742757 1124695798 /nfs/dbraw/zinc/69/57/98/1124695798.db2.gz RGFWSNZJQOBYFC-XJKSGUPXSA-N 1 3 330.925 3.628 20 0 EHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000249170378 1124743941 /nfs/dbraw/zinc/74/39/41/1124743941.db2.gz BAFOLVCPHJBEDW-RTWAWAEBSA-N 1 3 342.458 3.633 20 0 EHADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000249170378 1124743945 /nfs/dbraw/zinc/74/39/45/1124743945.db2.gz BAFOLVCPHJBEDW-RTWAWAEBSA-N 1 3 342.458 3.633 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000249187853 1124744339 /nfs/dbraw/zinc/74/43/39/1124744339.db2.gz LRSZKPPJSDAVOW-SJORKVTESA-N 1 3 338.417 3.953 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000249187853 1124744347 /nfs/dbraw/zinc/74/43/47/1124744347.db2.gz LRSZKPPJSDAVOW-SJORKVTESA-N 1 3 338.417 3.953 20 0 EHADHO CCC[NH+]1CCC(CN[C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091333030 1124976221 /nfs/dbraw/zinc/97/62/21/1124976221.db2.gz IWIRTPKLADLZIZ-CQSZACIVSA-N 1 3 348.922 3.999 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCOC2)ccc1OC ZINC000182527607 1125325775 /nfs/dbraw/zinc/32/57/75/1125325775.db2.gz MJLRSSVWHBBWCW-IAGOWNOFSA-N 1 3 334.504 3.614 20 0 EHADHO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182618794 1125340941 /nfs/dbraw/zinc/34/09/41/1125340941.db2.gz LXVTZCARHVWWPH-IRXDYDNUSA-N 1 3 334.504 3.614 20 0 EHADHO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183097043 1125443783 /nfs/dbraw/zinc/44/37/83/1125443783.db2.gz QBGSEGJPPIHJLX-MSOLQXFVSA-N 1 3 348.531 3.740 20 0 EHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000766045231 1129927018 /nfs/dbraw/zinc/92/70/18/1129927018.db2.gz RGARISVBUMXEHP-APWZRJJASA-N 1 3 345.531 3.830 20 0 EHADHO CC(C)COCC[C@@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172469777 1131733888 /nfs/dbraw/zinc/73/38/88/1131733888.db2.gz XBMHCIHKRJEXIU-QGZVFWFLSA-N 1 3 336.495 3.613 20 0 EHADHO CC1(C)CC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC(C)(C)O1 ZINC001172653361 1131801640 /nfs/dbraw/zinc/80/16/40/1131801640.db2.gz HLYMBAVRVPZICB-UHFFFAOYSA-N 1 3 345.531 3.619 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001173074157 1131955142 /nfs/dbraw/zinc/95/51/42/1131955142.db2.gz CVVMGVSMCLDFME-BMFZPTHFSA-N 1 3 344.421 3.979 20 0 EHADHO C[C@H]1CN(Cc2cccc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001205995561 1132599447 /nfs/dbraw/zinc/59/94/47/1132599447.db2.gz PCLMSVBUFDQDIE-NWDGAFQWSA-N 1 3 345.712 3.909 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094418 1132653058 /nfs/dbraw/zinc/65/30/58/1132653058.db2.gz LKDQPZOIHQNSMG-CLWJZODNSA-N 1 3 347.934 3.692 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094418 1132653063 /nfs/dbraw/zinc/65/30/63/1132653063.db2.gz LKDQPZOIHQNSMG-CLWJZODNSA-N 1 3 347.934 3.692 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115580 1132672111 /nfs/dbraw/zinc/67/21/11/1132672111.db2.gz LCQXPQNEHNHHMR-WOZUAGRISA-N 1 3 341.543 3.502 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169162459 1132682690 /nfs/dbraw/zinc/68/26/90/1132682690.db2.gz SPDQNVISVWWGQW-FICVDOATSA-N 1 3 328.378 3.642 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169162459 1132682695 /nfs/dbraw/zinc/68/26/95/1132682695.db2.gz SPDQNVISVWWGQW-FICVDOATSA-N 1 3 328.378 3.642 20 0 EHADHO C[NH+](C)CCCOc1ccc(Nc2ccnc(C(C)(C)C)c2)cn1 ZINC001176355506 1132918720 /nfs/dbraw/zinc/91/87/20/1132918720.db2.gz XCXIBJJWJFPEMO-UHFFFAOYSA-N 1 3 328.460 3.848 20 0 EHADHO CN(C)CC[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C(C)(C)C ZINC001177823733 1133101214 /nfs/dbraw/zinc/10/12/14/1133101214.db2.gz YKFSSCRJRPAGLX-HNNXBMFYSA-N 1 3 332.410 3.867 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(F)c2OC(F)(F)F)C1 ZINC001178916183 1133212079 /nfs/dbraw/zinc/21/20/79/1133212079.db2.gz BBTNEFHVNZVSNE-GFCCVEGCSA-N 1 3 334.357 3.546 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2cccc(F)c2OC(F)(F)F)C1 ZINC001178916183 1133212084 /nfs/dbraw/zinc/21/20/84/1133212084.db2.gz BBTNEFHVNZVSNE-GFCCVEGCSA-N 1 3 334.357 3.546 20 0 EHADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001183095264 1133768599 /nfs/dbraw/zinc/76/85/99/1133768599.db2.gz NVJMBSWSGNUPDS-GUDVDZBRSA-N 1 3 334.548 3.824 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525432 1134143382 /nfs/dbraw/zinc/14/33/82/1134143382.db2.gz CZJATPVIERHWTK-IRXDYDNUSA-N 1 3 339.483 3.870 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525432 1134143386 /nfs/dbraw/zinc/14/33/86/1134143386.db2.gz CZJATPVIERHWTK-IRXDYDNUSA-N 1 3 339.483 3.870 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)OC)cc1CN1CCCCC1 ZINC000775381855 1134690373 /nfs/dbraw/zinc/69/03/73/1134690373.db2.gz RSXOBRPDUYKCAV-IAGOWNOFSA-N 1 3 334.504 3.757 20 0 EHADHO Cc1cc(CN2CCC[C@](F)(C[NH3+])CC2)c(C)cc1Br ZINC001205591165 1134992661 /nfs/dbraw/zinc/99/26/61/1134992661.db2.gz FXSQWTSNAHFQNI-MRXNPFEDSA-N 1 3 343.284 3.719 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806138413 1135391032 /nfs/dbraw/zinc/39/10/32/1135391032.db2.gz UZZHNSQVZVLIEA-QGZVFWFLSA-N 1 3 329.875 3.964 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806138413 1135391037 /nfs/dbraw/zinc/39/10/37/1135391037.db2.gz UZZHNSQVZVLIEA-QGZVFWFLSA-N 1 3 329.875 3.964 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170682668 1136231068 /nfs/dbraw/zinc/23/10/68/1136231068.db2.gz QJKMQZQIOVRIPQ-HNAYVOBHSA-N 1 3 332.451 3.984 20 0 EHADHO C[C@H](NCC(C)(C)Sc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000817898061 1136844094 /nfs/dbraw/zinc/84/40/94/1136844094.db2.gz ZDLXIUDQRLFQEY-NSHDSACASA-N 1 3 343.334 3.517 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000817894695 1136844284 /nfs/dbraw/zinc/84/42/84/1136844284.db2.gz PZAFFOGGAVYDQV-IERDGZPVSA-N 1 3 339.483 3.667 20 0 EHADHO COc1ccc2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CCS2 ZINC000817949491 1136850237 /nfs/dbraw/zinc/85/02/37/1136850237.db2.gz RQBPIXUAJUAULJ-GOSISDBHSA-N 1 3 328.481 3.523 20 0 EHADHO [NH3+]CCc1ccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000817950170 1136851097 /nfs/dbraw/zinc/85/10/97/1136851097.db2.gz XCRVMKDLZMPBOD-KRWDZBQOSA-N 1 3 349.400 3.769 20 0 EHADHO C[NH+](C)CC[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000819081292 1136906756 /nfs/dbraw/zinc/90/67/56/1136906756.db2.gz LDVPJIGLGOLNLX-HZPDHXFCSA-N 1 3 346.437 3.695 20 0 EHADHO C[NH+](C)CC[C@@H](N[C@@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171393057 1137469287 /nfs/dbraw/zinc/46/92/87/1137469287.db2.gz BJCBUEABQJEYST-WIYYLYMNSA-N 1 3 326.459 3.966 20 0 EHADHO C[NH+]1C(C)(C)CC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1(C)C ZINC001171614075 1137500748 /nfs/dbraw/zinc/50/07/48/1137500748.db2.gz UXQFQNHSLJTQGF-UHFFFAOYSA-N 1 3 341.540 3.531 20 0 EHADHO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171973380 1137524189 /nfs/dbraw/zinc/52/41/89/1137524189.db2.gz XZRWQIUSBIKGPR-HKBOAZHASA-N 1 3 343.559 3.892 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC001172245926 1137544285 /nfs/dbraw/zinc/54/42/85/1137544285.db2.gz COESQIHBYGYZEU-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000872020337 1137565031 /nfs/dbraw/zinc/56/50/31/1137565031.db2.gz GFCWMRRYMLNKFL-DNVCBOLYSA-N 1 3 344.499 3.545 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020337 1137565032 /nfs/dbraw/zinc/56/50/32/1137565032.db2.gz GFCWMRRYMLNKFL-DNVCBOLYSA-N 1 3 344.499 3.545 20 0 EHADHO FC(F)(F)c1ccccc1CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873212239 1137594041 /nfs/dbraw/zinc/59/40/41/1137594041.db2.gz XDVYRZLCWJBAPM-UHFFFAOYSA-N 1 3 326.387 3.702 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)c(-c2ccnn2C)c1 ZINC000873223325 1137594318 /nfs/dbraw/zinc/59/43/18/1137594318.db2.gz KNWLKFIGBYMMBG-NRFANRHFSA-N 1 3 340.515 3.592 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)c(-c2ccnn2C)c1 ZINC000873223325 1137594319 /nfs/dbraw/zinc/59/43/19/1137594319.db2.gz KNWLKFIGBYMMBG-NRFANRHFSA-N 1 3 340.515 3.592 20 0 EHADHO CN(Cc1cc2ccncc2s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000825916858 1137662567 /nfs/dbraw/zinc/66/25/67/1137662567.db2.gz VLMRFIYNFBGLQC-UHFFFAOYSA-N 1 3 325.481 3.990 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccnc(Cl)c3Cl)CC2)CC1 ZINC000877684829 1137685779 /nfs/dbraw/zinc/68/57/79/1137685779.db2.gz ZXJKKCRBSHUOLJ-UHFFFAOYSA-N 1 3 328.287 3.696 20 0 EHADHO CCOc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc(Cl)c1[O-] ZINC000877711319 1137686573 /nfs/dbraw/zinc/68/65/73/1137686573.db2.gz DLPBWYHWQBHPGO-UHFFFAOYSA-N 1 3 340.895 3.797 20 0 EHADHO CCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883167248 1137846984 /nfs/dbraw/zinc/84/69/84/1137846984.db2.gz UASUCIIIZGGJEY-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176307 1137847409 /nfs/dbraw/zinc/84/74/09/1137847409.db2.gz ZYRDCSPYTOCCOS-JXFKEZNVSA-N 1 3 334.479 3.615 20 0 EHADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176307 1137847410 /nfs/dbraw/zinc/84/74/10/1137847410.db2.gz ZYRDCSPYTOCCOS-JXFKEZNVSA-N 1 3 334.479 3.615 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258978 1137886187 /nfs/dbraw/zinc/88/61/87/1137886187.db2.gz ZEDWIFKJQFVHOB-QGZVFWFLSA-N 1 3 327.447 3.880 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258978 1137886188 /nfs/dbraw/zinc/88/61/88/1137886188.db2.gz ZEDWIFKJQFVHOB-QGZVFWFLSA-N 1 3 327.447 3.880 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331697554 1137917560 /nfs/dbraw/zinc/91/75/60/1137917560.db2.gz DEVKZHRTDXTNHZ-NUJGCVRESA-N 1 3 329.488 3.770 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331697554 1137917561 /nfs/dbraw/zinc/91/75/61/1137917561.db2.gz DEVKZHRTDXTNHZ-NUJGCVRESA-N 1 3 329.488 3.770 20 0 EHADHO FC(F)(F)Oc1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000119734281 1137944137 /nfs/dbraw/zinc/94/41/37/1137944137.db2.gz AJRPWVDAFPMIEQ-KRWDZBQOSA-N 1 3 340.389 3.789 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000123947719 1138276331 /nfs/dbraw/zinc/27/63/31/1138276331.db2.gz FKCWBLPQJSKVCN-INIZCTEOSA-N 1 3 340.467 3.760 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000123947719 1138276332 /nfs/dbraw/zinc/27/63/32/1138276332.db2.gz FKCWBLPQJSKVCN-INIZCTEOSA-N 1 3 340.467 3.760 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000124001669 1138277283 /nfs/dbraw/zinc/27/72/83/1138277283.db2.gz NMXSYNPZHAFWAR-OAHLLOKOSA-N 1 3 326.440 3.718 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000124001669 1138277285 /nfs/dbraw/zinc/27/72/85/1138277285.db2.gz NMXSYNPZHAFWAR-OAHLLOKOSA-N 1 3 326.440 3.718 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337486277 1138583635 /nfs/dbraw/zinc/58/36/35/1138583635.db2.gz SRHUMYIPEWBRPK-KSZLIROESA-N 1 3 348.535 3.538 20 0 EHADHO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178256379 1139681705 /nfs/dbraw/zinc/68/17/05/1139681705.db2.gz CCMRSPOPUQJAJJ-IBGZPJMESA-N 1 3 326.484 3.897 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCCC1 ZINC000178413504 1139693108 /nfs/dbraw/zinc/69/31/08/1139693108.db2.gz SIWWCPATWXWHHU-AWEZNQCLSA-N 1 3 330.501 3.650 20 0 EHADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCS2 ZINC000191498229 1140467014 /nfs/dbraw/zinc/46/70/14/1140467014.db2.gz ZWMPSQFUBBQKNR-GOSISDBHSA-N 1 3 332.513 3.696 20 0 EHADHO CCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000269075926 1141061184 /nfs/dbraw/zinc/06/11/84/1141061184.db2.gz YHFVEFYLWMVURM-INIZCTEOSA-N 1 3 345.314 3.881 20 0 EHADHO C[C@H](NCc1ccccc1N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000271455209 1141371733 /nfs/dbraw/zinc/37/17/33/1141371733.db2.gz GORZRRTXGBDWDU-KRWDZBQOSA-N 1 3 341.499 3.544 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc2ccccc21 ZINC000271537444 1141391204 /nfs/dbraw/zinc/39/12/04/1141391204.db2.gz SFMSGKOYPZOULK-SSKFGXFMSA-N 1 3 338.495 3.868 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2c1CCC2 ZINC000904472598 1032071845 /nfs/dbraw/zinc/07/18/45/1032071845.db2.gz MWWMOBUJOWZEKG-RBBKRZOGSA-N 1 3 334.463 3.521 20 0 EHADHO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430149341 1014421785 /nfs/dbraw/zinc/42/17/85/1014421785.db2.gz NBFXEDOQOAZJCK-QFIPXVFZSA-N 1 3 336.479 3.890 20 0 EHADHO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430149341 1014421790 /nfs/dbraw/zinc/42/17/90/1014421790.db2.gz NBFXEDOQOAZJCK-QFIPXVFZSA-N 1 3 336.479 3.890 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(Br)c1 ZINC000037644537 1016132921 /nfs/dbraw/zinc/13/29/21/1016132921.db2.gz CALFKPXLIVFULZ-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644537 1016132927 /nfs/dbraw/zinc/13/29/27/1016132927.db2.gz CALFKPXLIVFULZ-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(Br)c1 ZINC000037644537 1016132933 /nfs/dbraw/zinc/13/29/33/1016132933.db2.gz CALFKPXLIVFULZ-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000155204012 1016301600 /nfs/dbraw/zinc/30/16/00/1016301600.db2.gz QWDBOPHHBCHCHP-CRAIPNDOSA-N 1 3 336.907 3.567 20 0 EHADHO CCC[NH+]1CCC(Nc2cccc(CN3CCSCC3)c2C)CC1 ZINC000153713892 1016337985 /nfs/dbraw/zinc/33/79/85/1016337985.db2.gz GFOVTTRXLCXLFR-UHFFFAOYSA-N 1 3 347.572 3.830 20 0 EHADHO CC(C)CCN1CCC([NH2+]CCSCCC(F)(F)F)CC1 ZINC000926801584 1016409057 /nfs/dbraw/zinc/40/90/57/1016409057.db2.gz NTQFSMXESRPZGQ-UHFFFAOYSA-N 1 3 326.472 3.772 20 0 EHADHO CC(C)CC[NH+]1CCC(NCCSCCC(F)(F)F)CC1 ZINC000926801584 1016409063 /nfs/dbraw/zinc/40/90/63/1016409063.db2.gz NTQFSMXESRPZGQ-UHFFFAOYSA-N 1 3 326.472 3.772 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238100 1016752148 /nfs/dbraw/zinc/75/21/48/1016752148.db2.gz YAANYPHIUDCBJB-LPHOPBHVSA-N 1 3 332.488 3.634 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000121090115 1016792782 /nfs/dbraw/zinc/79/27/82/1016792782.db2.gz OILSFDXTXTXHRW-HXUWFJFHSA-N 1 3 346.421 3.682 20 0 EHADHO CC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924595835 1016973494 /nfs/dbraw/zinc/97/34/94/1016973494.db2.gz RYDCUFJVMSZOMK-HNNXBMFYSA-N 1 3 325.456 3.557 20 0 EHADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(C(=O)OC)cc1 ZINC000340350786 1017004238 /nfs/dbraw/zinc/00/42/38/1017004238.db2.gz IXUOQZCFKKPYIP-QFBILLFUSA-N 1 3 332.488 3.778 20 0 EHADHO Cc1ccsc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536709406 1032187096 /nfs/dbraw/zinc/18/70/96/1032187096.db2.gz AKWUGOYVHYODDA-CALCHBBNSA-N 1 3 336.545 3.768 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089530 1032191355 /nfs/dbraw/zinc/19/13/55/1032191355.db2.gz KCTYJNOQFRDVQK-IAQYHMDHSA-N 1 3 341.268 3.507 20 0 EHADHO Cc1noc(CCCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449135847 1032231669 /nfs/dbraw/zinc/23/16/69/1032231669.db2.gz RVHOTKFZXMCBJG-UHFFFAOYSA-N 1 3 336.524 3.579 20 0 EHADHO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000536830494 1032309336 /nfs/dbraw/zinc/30/93/36/1032309336.db2.gz DHVFIUUKTJKYPY-BEFAXECRSA-N 1 3 334.504 3.624 20 0 EHADHO C[N@H+](Cc1ccccc1CNC[C@](C)(O)C(F)F)C1CCCCC1 ZINC000905063082 1032338301 /nfs/dbraw/zinc/33/83/01/1032338301.db2.gz RYBGJWGJRBWZOM-IBGZPJMESA-N 1 3 340.458 3.557 20 0 EHADHO C[N@@H+](Cc1ccccc1CNC[C@](C)(O)C(F)F)C1CCCCC1 ZINC000905063082 1032338308 /nfs/dbraw/zinc/33/83/08/1032338308.db2.gz RYBGJWGJRBWZOM-IBGZPJMESA-N 1 3 340.458 3.557 20 0 EHADHO Cc1cccc(C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 ZINC000536860066 1032359546 /nfs/dbraw/zinc/35/95/46/1032359546.db2.gz YOTZSRRMPRUFEA-KNKQGSTJSA-N 1 3 344.543 3.795 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000449239927 1032376179 /nfs/dbraw/zinc/37/61/79/1032376179.db2.gz LWVOVPSNIADTFM-ZGJYDULXSA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC(C)(C)O2)CC1 ZINC000449261280 1032407704 /nfs/dbraw/zinc/40/77/04/1032407704.db2.gz ZLCYLXBRGRAELX-YLJYHZDGSA-N 1 3 330.516 3.629 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459722535 1032429059 /nfs/dbraw/zinc/42/90/59/1032429059.db2.gz BRUFHKLTPPOVOD-GFCCVEGCSA-N 1 3 331.287 3.824 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459722535 1032429064 /nfs/dbraw/zinc/42/90/64/1032429064.db2.gz BRUFHKLTPPOVOD-GFCCVEGCSA-N 1 3 331.287 3.824 20 0 EHADHO COCCSc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000537105175 1032523623 /nfs/dbraw/zinc/52/36/23/1032523623.db2.gz SBTJUTBDNBLXOY-WMZOPIPTSA-N 1 3 336.545 3.950 20 0 EHADHO COCCSc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000537105172 1032523858 /nfs/dbraw/zinc/52/38/58/1032523858.db2.gz SBTJUTBDNBLXOY-AEFFLSMTSA-N 1 3 336.545 3.950 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090522477 1032583840 /nfs/dbraw/zinc/58/38/40/1032583840.db2.gz VLGCSTLFWILJAW-QEJZJMRPSA-N 1 3 342.936 3.820 20 0 EHADHO Cc1ccc(OCc2nc(CNC[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000415013256 1017394595 /nfs/dbraw/zinc/39/45/95/1017394595.db2.gz YIZNSGVYAWXEPH-HOTGVXAUSA-N 1 3 345.512 3.638 20 0 EHADHO [NH3+]CCC[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000415052000 1017461463 /nfs/dbraw/zinc/46/14/63/1017461463.db2.gz KNPYVFOBCOPTKJ-KRWDZBQOSA-N 1 3 346.858 3.681 20 0 EHADHO Cc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2ccnn2C)c1 ZINC000549246624 1017830998 /nfs/dbraw/zinc/83/09/98/1017830998.db2.gz ANQALLJATSMOES-UHFFFAOYSA-N 1 3 340.515 3.794 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)co2)cc1 ZINC000580182094 1018748539 /nfs/dbraw/zinc/74/85/39/1018748539.db2.gz CKYNYILJOCAQOQ-AQNXPRMDSA-N 1 3 339.483 3.703 20 0 EHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933178 1019164219 /nfs/dbraw/zinc/16/42/19/1019164219.db2.gz BOBWWEIZNNBGMY-MLHJIOFPSA-N 1 3 346.540 3.602 20 0 EHADHO c1c2ccccc2[nH]c1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000683927138 1019292271 /nfs/dbraw/zinc/29/22/71/1019292271.db2.gz LJIWYLXUFIZPQV-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cc(Cl)cc(Cl)c1)C2 ZINC000513166157 1019304257 /nfs/dbraw/zinc/30/42/57/1019304257.db2.gz KASSBOZZENCFAJ-XYPWUTKMSA-N 1 3 343.298 3.929 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cc(Cl)cc(Cl)c1)C2 ZINC000513166157 1019304271 /nfs/dbraw/zinc/30/42/71/1019304271.db2.gz KASSBOZZENCFAJ-XYPWUTKMSA-N 1 3 343.298 3.929 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398199848 1019945306 /nfs/dbraw/zinc/94/53/06/1019945306.db2.gz PFBJRNMDBOTMDN-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398199848 1019945314 /nfs/dbraw/zinc/94/53/14/1019945314.db2.gz PFBJRNMDBOTMDN-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H](COCc1ccccc1)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001167442281 1020351488 /nfs/dbraw/zinc/35/14/88/1020351488.db2.gz CCGJQACBBKLPQG-CTNGQTDRSA-N 1 3 330.516 3.790 20 0 EHADHO CC1(CN2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475872 1020471359 /nfs/dbraw/zinc/47/13/59/1020471359.db2.gz BSUCMQXLTKONQO-NRFANRHFSA-N 1 3 334.548 3.924 20 0 EHADHO CC1(CN2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475872 1020471362 /nfs/dbraw/zinc/47/13/62/1020471362.db2.gz BSUCMQXLTKONQO-NRFANRHFSA-N 1 3 334.548 3.924 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600310 1021136645 /nfs/dbraw/zinc/13/66/45/1021136645.db2.gz KCHPNGCLURJWEL-HOCLYGCPSA-N 1 3 328.422 3.956 20 0 EHADHO COc1ccc2nc(C)cc(-n3cc(CC[NH3+])c4cc(O)ccc43)c2c1 ZINC001167986727 1021434466 /nfs/dbraw/zinc/43/44/66/1021434466.db2.gz FCWKTLHSCQSQAH-UHFFFAOYSA-N 1 3 347.418 3.703 20 0 EHADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899037 1021594839 /nfs/dbraw/zinc/59/48/39/1021594839.db2.gz CBHCOTKJZRFVPB-KSSFIOAISA-N 1 3 326.431 3.588 20 0 EHADHO Cc1ccc2ccccc2c1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441195539 1022046852 /nfs/dbraw/zinc/04/68/52/1022046852.db2.gz KZZODBMSEHDMQB-VLCRHTCISA-N 1 3 338.495 3.832 20 0 EHADHO Fc1ccccc1[C@H]1CC[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425892828 1022131067 /nfs/dbraw/zinc/13/10/67/1022131067.db2.gz AMXFOYAKYNYMOD-JKSUJKDBSA-N 1 3 343.446 3.707 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3cccc(C)n23)CC1 ZINC000341531975 1022135455 /nfs/dbraw/zinc/13/54/55/1022135455.db2.gz OSZSEASYQVGJFM-UHFFFAOYSA-N 1 3 342.531 3.977 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](C)CN(C)C)s2)cc1 ZINC000425936109 1022275766 /nfs/dbraw/zinc/27/57/66/1022275766.db2.gz HEFXSXKVABBOQH-KBPBESRZSA-N 1 3 347.528 3.975 20 0 EHADHO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000438210537 1022471164 /nfs/dbraw/zinc/47/11/64/1022471164.db2.gz JBDHAHAOMUQFOF-AZUAARDMSA-N 1 3 340.486 3.911 20 0 EHADHO CCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639356 1022748251 /nfs/dbraw/zinc/74/82/51/1022748251.db2.gz OWROAHPUOSIGSI-IAGOWNOFSA-N 1 3 344.421 3.593 20 0 EHADHO C[C@@H](CN1CCC(C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000506863598 1022965811 /nfs/dbraw/zinc/96/58/11/1022965811.db2.gz FMCCMRHHIUFRJY-AWEZNQCLSA-N 1 3 339.321 3.826 20 0 EHADHO c1[nH]nc2cc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467141 1023008134 /nfs/dbraw/zinc/00/81/34/1023008134.db2.gz DBZUJYQUTHFWRL-LEWJYISDSA-N 1 3 346.478 3.517 20 0 EHADHO c1[nH]nc2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467141 1023008148 /nfs/dbraw/zinc/00/81/48/1023008148.db2.gz DBZUJYQUTHFWRL-LEWJYISDSA-N 1 3 346.478 3.517 20 0 EHADHO c1ccc(CC[NH+]2CCC(NCc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000414978548 1023236910 /nfs/dbraw/zinc/23/69/10/1023236910.db2.gz MJQBDYMSHLANCK-UHFFFAOYSA-N 1 3 349.522 3.841 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCS[C@@H](C)CC2)CC1 ZINC000426386745 1023256583 /nfs/dbraw/zinc/25/65/83/1023256583.db2.gz ZKMSNPITONDAAZ-SFHVURJKSA-N 1 3 347.572 3.546 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCS[C@@H](C)CC2)CC1 ZINC000426386745 1023256590 /nfs/dbraw/zinc/25/65/90/1023256590.db2.gz ZKMSNPITONDAAZ-SFHVURJKSA-N 1 3 347.572 3.546 20 0 EHADHO COc1cc2ccc([C@@H](C)NC[C@H]3CCC[N@H+](C)C3)cc2cc1OC ZINC000657875938 1033156390 /nfs/dbraw/zinc/15/63/90/1033156390.db2.gz JTSBVGYTCISFNQ-HZPDHXFCSA-N 1 3 342.483 3.849 20 0 EHADHO COc1cc2ccc([C@@H](C)NC[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875938 1033156401 /nfs/dbraw/zinc/15/64/01/1033156401.db2.gz JTSBVGYTCISFNQ-HZPDHXFCSA-N 1 3 342.483 3.849 20 0 EHADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000349384216 1024040447 /nfs/dbraw/zinc/04/04/47/1024040447.db2.gz VRONVOVIKUIECS-PWRODBHTSA-N 1 3 342.527 3.648 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000665232747 1024690812 /nfs/dbraw/zinc/69/08/12/1024690812.db2.gz SQYSQYLYOICZGB-ILWGZMRPSA-N 1 3 335.495 3.659 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000665232747 1024690816 /nfs/dbraw/zinc/69/08/16/1024690816.db2.gz SQYSQYLYOICZGB-ILWGZMRPSA-N 1 3 335.495 3.659 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2SC)[C@H](C)C1 ZINC000346605854 1024945890 /nfs/dbraw/zinc/94/58/90/1024945890.db2.gz JAYCFYGEATUPJO-SJLPKXTDSA-N 1 3 336.545 3.635 20 0 EHADHO COc1cccc(C2(N[C@@H](C)c3ccc(C[NH3+])nc3C)CCC2)c1 ZINC000665282946 1025308483 /nfs/dbraw/zinc/30/84/83/1025308483.db2.gz FDXOZTABCHPBHL-HNNXBMFYSA-N 1 3 325.456 3.587 20 0 EHADHO Clc1ccc2c(c1)C[C@@H]1[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)[C@H]21 ZINC000530211564 1025505891 /nfs/dbraw/zinc/50/58/91/1025505891.db2.gz MJXFQKATTHURTD-YRIPFXIYSA-N 1 3 330.903 3.879 20 0 EHADHO Cc1nc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000347124192 1025542173 /nfs/dbraw/zinc/54/21/73/1025542173.db2.gz FMQAWFVAQAEREX-IHWFROFDSA-N 1 3 341.524 3.779 20 0 EHADHO Cc1nc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000347124192 1025542188 /nfs/dbraw/zinc/54/21/88/1025542188.db2.gz FMQAWFVAQAEREX-IHWFROFDSA-N 1 3 341.524 3.779 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425534145 1025681054 /nfs/dbraw/zinc/68/10/54/1025681054.db2.gz BCCIQKWHOHPDJS-NRFANRHFSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425534145 1025681067 /nfs/dbraw/zinc/68/10/67/1025681067.db2.gz BCCIQKWHOHPDJS-NRFANRHFSA-N 1 3 343.559 3.876 20 0 EHADHO CCN1CCC([N@H+](C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050925 1025738355 /nfs/dbraw/zinc/73/83/55/1025738355.db2.gz DGDRWQCMQUOXGD-OALUTQOASA-N 1 3 343.559 3.844 20 0 EHADHO CCN1CCC([N@@H+](C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050925 1025738368 /nfs/dbraw/zinc/73/83/68/1025738368.db2.gz DGDRWQCMQUOXGD-OALUTQOASA-N 1 3 343.559 3.844 20 0 EHADHO CSc1ccccc1C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000511117929 1026181286 /nfs/dbraw/zinc/18/12/86/1026181286.db2.gz ZYKRBLZCMVWZEJ-CALCHBBNSA-N 1 3 348.556 3.730 20 0 EHADHO CCCN1CCC([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000530666315 1026183772 /nfs/dbraw/zinc/18/37/72/1026183772.db2.gz CVNWSIJDWPDVEK-UHFFFAOYSA-N 1 3 344.421 3.890 20 0 EHADHO CCCN1CCC([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000530666315 1026183778 /nfs/dbraw/zinc/18/37/78/1026183778.db2.gz CVNWSIJDWPDVEK-UHFFFAOYSA-N 1 3 344.421 3.890 20 0 EHADHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000379277103 1026347789 /nfs/dbraw/zinc/34/77/89/1026347789.db2.gz PCWIGQKWYDFMNW-VLCRHTCISA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277103 1026347797 /nfs/dbraw/zinc/34/77/97/1026347797.db2.gz PCWIGQKWYDFMNW-VLCRHTCISA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277103 1026347811 /nfs/dbraw/zinc/34/78/11/1026347811.db2.gz PCWIGQKWYDFMNW-VLCRHTCISA-N 1 3 338.495 3.874 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000925238801 1026359746 /nfs/dbraw/zinc/35/97/46/1026359746.db2.gz ATVZGLFLTKMFIN-WCQYABFASA-N 1 3 338.439 3.774 20 0 EHADHO c1cc2cccc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC000475343228 1026495818 /nfs/dbraw/zinc/49/58/18/1026495818.db2.gz QYPIKNKNBDUEAM-OYRHEFFESA-N 1 3 331.463 3.732 20 0 EHADHO c1cc2cccc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC000475343228 1026495822 /nfs/dbraw/zinc/49/58/22/1026495822.db2.gz QYPIKNKNBDUEAM-OYRHEFFESA-N 1 3 331.463 3.732 20 0 EHADHO Cc1ccc([C@H](C)C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000628337582 1027167622 /nfs/dbraw/zinc/16/76/22/1027167622.db2.gz LBHYOVZVFLSQEM-LJQANCHMSA-N 1 3 337.511 3.995 20 0 EHADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700565 1027220857 /nfs/dbraw/zinc/22/08/57/1027220857.db2.gz NLWQQJOLAHPCNJ-PKOBYXMFSA-N 1 3 340.467 3.586 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000513713299 1027252216 /nfs/dbraw/zinc/25/22/16/1027252216.db2.gz NGCDJNMBBKILGB-ULQDDVLXSA-N 1 3 342.405 3.547 20 0 EHADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453116695 1027392043 /nfs/dbraw/zinc/39/20/43/1027392043.db2.gz YIPPNCWGILRLJP-XUVXKRRUSA-N 1 3 341.524 3.984 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321912 1027470551 /nfs/dbraw/zinc/47/05/51/1027470551.db2.gz VZXFQXCRGPBZHO-XJKSGUPXSA-N 1 3 337.305 3.832 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000420325670 1027478076 /nfs/dbraw/zinc/47/80/76/1027478076.db2.gz WNPRFIRNPPUJPG-YLJYHZDGSA-N 1 3 328.431 3.714 20 0 EHADHO Fc1cc(Br)cc([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)c1 ZINC000420363729 1027490204 /nfs/dbraw/zinc/49/02/04/1027490204.db2.gz CEABBJIRWFHEPZ-WBMJQRKESA-N 1 3 341.268 3.725 20 0 EHADHO Cc1ccc(F)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613365 1027629574 /nfs/dbraw/zinc/62/95/74/1027629574.db2.gz ZZOVWIGRMFOHGB-UHFFFAOYSA-N 1 3 327.447 3.531 20 0 EHADHO c1cc2c(c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c1)CCC2 ZINC000657612906 1027649067 /nfs/dbraw/zinc/64/90/67/1027649067.db2.gz DYGGKJDAQPXTSL-UHFFFAOYSA-N 1 3 335.495 3.572 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422707454 1027864191 /nfs/dbraw/zinc/86/41/91/1027864191.db2.gz ABNQARSAEYXKGG-SXGZJXTBSA-N 1 3 330.447 3.834 20 0 EHADHO CC(C)(CN[C@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422705962 1027865637 /nfs/dbraw/zinc/86/56/37/1027865637.db2.gz SKGMVKACMZIUDQ-SFTDATJTSA-N 1 3 335.495 3.558 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)c1ccccc1 ZINC000422731335 1027877209 /nfs/dbraw/zinc/87/72/09/1027877209.db2.gz LIBCGQPJHSWPCM-STZQEDGTSA-N 1 3 339.527 3.618 20 0 EHADHO COc1cccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422719191 1027887352 /nfs/dbraw/zinc/88/73/52/1027887352.db2.gz XVOSVLUSTALMMP-NYSBEXSLSA-N 1 3 338.451 3.602 20 0 EHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422739646 1027905022 /nfs/dbraw/zinc/90/50/22/1027905022.db2.gz ALXNVHFUNCDWJV-CJNGLKHVSA-N 1 3 337.305 3.588 20 0 EHADHO c1ccc2c(c1)cccc2CSCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756491 1027922673 /nfs/dbraw/zinc/92/26/73/1027922673.db2.gz IXPIROZATSYKGZ-DFNIBXOVSA-N 1 3 326.509 3.946 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000422768842 1027924076 /nfs/dbraw/zinc/92/40/76/1027924076.db2.gz SHYLMBCJHGKQSD-OALUTQOASA-N 1 3 332.875 3.773 20 0 EHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)cs1 ZINC000422809065 1027960504 /nfs/dbraw/zinc/96/05/04/1027960504.db2.gz RFHOIYHKRKHYSP-XLQHLMKVSA-N 1 3 345.512 3.521 20 0 EHADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422811849 1027960610 /nfs/dbraw/zinc/96/06/10/1027960610.db2.gz PROGHWLVSGTSDD-RTWAWAEBSA-N 1 3 346.478 3.568 20 0 EHADHO CC[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422813944 1027962170 /nfs/dbraw/zinc/96/21/70/1027962170.db2.gz ZGKLKOFVHCOGNL-STZQEDGTSA-N 1 3 335.495 3.558 20 0 EHADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422829040 1027972097 /nfs/dbraw/zinc/97/20/97/1027972097.db2.gz UJJXABGUTYCVQS-HZPDHXFCSA-N 1 3 330.394 3.515 20 0 EHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422839866 1027979455 /nfs/dbraw/zinc/97/94/55/1027979455.db2.gz AKPOGUQAIQDFMM-KKXDTOCCSA-N 1 3 330.472 3.911 20 0 EHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422839865 1027982346 /nfs/dbraw/zinc/98/23/46/1027982346.db2.gz AKPOGUQAIQDFMM-DOPJRALCSA-N 1 3 330.472 3.911 20 0 EHADHO CC[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422855261 1027990733 /nfs/dbraw/zinc/99/07/33/1027990733.db2.gz VGRBLIKEIJIFLV-CVAIRZPRSA-N 1 3 330.447 3.531 20 0 EHADHO COc1ccc(C(C)(C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422856252 1027991621 /nfs/dbraw/zinc/99/16/21/1027991621.db2.gz DZZUAGAOIQABTH-QZTJIDSGSA-N 1 3 340.467 3.716 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000422873018 1028032405 /nfs/dbraw/zinc/03/24/05/1028032405.db2.gz JMAOIHFALULKQU-HZPDHXFCSA-N 1 3 338.499 3.861 20 0 EHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422908683 1028042261 /nfs/dbraw/zinc/04/22/61/1028042261.db2.gz YZKGNHICXRLBHE-HOTGVXAUSA-N 1 3 326.406 3.987 20 0 EHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1nc(-c2ccncc2)cs1 ZINC000422912406 1028045855 /nfs/dbraw/zinc/04/58/55/1028045855.db2.gz NBLOPLFTQWWTMP-NVXWUHKLSA-N 1 3 344.528 3.648 20 0 EHADHO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422934706 1028063534 /nfs/dbraw/zinc/06/35/34/1028063534.db2.gz GHLAFTOGDVKBQR-JLTOFOAXSA-N 1 3 325.456 3.659 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422939001 1028066679 /nfs/dbraw/zinc/06/66/79/1028066679.db2.gz QMOZLNVESBHCIT-ZJOUEHCJSA-N 1 3 338.426 3.659 20 0 EHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422968456 1028090869 /nfs/dbraw/zinc/09/08/69/1028090869.db2.gz QYSIWVXDQYXCNA-KRWDZBQOSA-N 1 3 338.499 3.577 20 0 EHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422953103 1028092610 /nfs/dbraw/zinc/09/26/10/1028092610.db2.gz DBXIORXOBGXHFP-XUVXKRRUSA-N 1 3 345.556 3.568 20 0 EHADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422955393 1028095563 /nfs/dbraw/zinc/09/55/63/1028095563.db2.gz JDWRVOCRDVSZBR-XOHCFOMMSA-N 1 3 334.463 3.765 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000422982064 1028108663 /nfs/dbraw/zinc/10/86/63/1028108663.db2.gz VJBPHASKQVIWBC-FOIQADDNSA-N 1 3 326.488 3.636 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000422983962 1028110985 /nfs/dbraw/zinc/11/09/85/1028110985.db2.gz WBBNQCBZQKCHSA-OAHLLOKOSA-N 1 3 341.499 3.876 20 0 EHADHO COc1ccc(C[C@H](C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000423026629 1028137112 /nfs/dbraw/zinc/13/71/12/1028137112.db2.gz QKFSWMNQLJIRAL-KYNGSXCRSA-N 1 3 340.467 3.617 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423038953 1028144820 /nfs/dbraw/zinc/14/48/20/1028144820.db2.gz DSOYNHFEMHBTPP-PBFPGSCMSA-N 1 3 342.314 3.550 20 0 EHADHO c1cc2c(s1)CCC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423051407 1028163033 /nfs/dbraw/zinc/16/30/33/1028163033.db2.gz ODCVBDJPBDJOCN-ABSDTBQOSA-N 1 3 340.492 3.971 20 0 EHADHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423125406 1028189849 /nfs/dbraw/zinc/18/98/49/1028189849.db2.gz IAUZYUONHHANMI-HRCADAONSA-N 1 3 341.421 3.543 20 0 EHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C(F)(F)F)n1 ZINC000423134516 1028221259 /nfs/dbraw/zinc/22/12/59/1028221259.db2.gz MIWHPUGOSKVKMR-DZGCQCFKSA-N 1 3 329.410 3.543 20 0 EHADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141837 1028226462 /nfs/dbraw/zinc/22/64/62/1028226462.db2.gz RZECWDZNODMJPB-SRABZTEZSA-N 1 3 337.305 3.802 20 0 EHADHO CC(C)Oc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423191788 1028260585 /nfs/dbraw/zinc/26/05/85/1028260585.db2.gz TYVSJFYUOSGDLN-KRWDZBQOSA-N 1 3 327.472 3.699 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000423206382 1028275582 /nfs/dbraw/zinc/27/55/82/1028275582.db2.gz BXVSMUIGYKZMIP-DUVNUKRYSA-N 1 3 337.305 3.723 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423291441 1028330491 /nfs/dbraw/zinc/33/04/91/1028330491.db2.gz IICLEOWLDYYDNC-KBPBESRZSA-N 1 3 337.467 3.787 20 0 EHADHO C[C@H](C[NH3+])CN[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423299331 1028355948 /nfs/dbraw/zinc/35/59/48/1028355948.db2.gz PTSIQGLBLNSUGX-BDAKNGLRSA-N 1 3 328.300 3.970 20 0 EHADHO C[C@H](C[NH3+])CN[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423299334 1028356720 /nfs/dbraw/zinc/35/67/20/1028356720.db2.gz PTSIQGLBLNSUGX-RKDXNWHRSA-N 1 3 328.300 3.970 20 0 EHADHO C[C@H](NC[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423526213 1028497736 /nfs/dbraw/zinc/49/77/36/1028497736.db2.gz QCBDSSFOPLWWJV-QWHCGFSZSA-N 1 3 336.888 3.708 20 0 EHADHO C[C@@H]1C[C@@H](CN(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753647 1028545162 /nfs/dbraw/zinc/54/51/62/1028545162.db2.gz MROJBXVHKCQMGV-VCBZYWHSSA-N 1 3 344.890 3.539 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC000236938421 1028604830 /nfs/dbraw/zinc/60/48/30/1028604830.db2.gz SAWBZUOJTOEGAX-GOSISDBHSA-N 1 3 330.472 3.701 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2cccc(F)c2C)o1 ZINC000237046785 1028617820 /nfs/dbraw/zinc/61/78/20/1028617820.db2.gz JXHOIMRIOLXCSZ-INIZCTEOSA-N 1 3 348.462 3.841 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000247269917 1028768509 /nfs/dbraw/zinc/76/85/09/1028768509.db2.gz YBFRATSNZANDHJ-FGTMMUONSA-N 1 3 343.515 3.525 20 0 EHADHO Fc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777984 1028877488 /nfs/dbraw/zinc/87/74/88/1028877488.db2.gz ISQUSCONTBVHLS-STQMWFEESA-N 1 3 330.369 3.666 20 0 EHADHO CCc1nc(C)c([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000162534695 1028943083 /nfs/dbraw/zinc/94/30/83/1028943083.db2.gz AUDWZKDQSPSYMZ-AWEZNQCLSA-N 1 3 347.528 3.805 20 0 EHADHO O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000245689385 1029010675 /nfs/dbraw/zinc/01/06/75/1029010675.db2.gz KBWJOKMVOUEWCU-YRPNKDGESA-N 1 3 342.508 3.567 20 0 EHADHO C[C@@H]1CC2(CN1Cc1cc(F)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368591 1029031630 /nfs/dbraw/zinc/03/16/30/1029031630.db2.gz AQEZBKWMNDWSBF-GFCCVEGCSA-N 1 3 330.369 3.809 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000414794419 1029105755 /nfs/dbraw/zinc/10/57/55/1029105755.db2.gz FQEAYSXVNDHLEJ-SUMDDJOVSA-N 1 3 331.504 3.634 20 0 EHADHO Cc1ccc2ncc(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000272149903 1029332318 /nfs/dbraw/zinc/33/23/18/1029332318.db2.gz DEPJNHFBMCBGRH-UYAOXDASSA-N 1 3 348.494 3.643 20 0 EHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000272279727 1029396583 /nfs/dbraw/zinc/39/65/83/1029396583.db2.gz CRLTZWQWIKAZMT-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000272279727 1029396593 /nfs/dbraw/zinc/39/65/93/1029396593.db2.gz CRLTZWQWIKAZMT-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000513901029 1029571121 /nfs/dbraw/zinc/57/11/21/1029571121.db2.gz KWWSMSYZTUPBRC-JFIYKMOQSA-N 1 3 344.490 3.633 20 0 EHADHO CN1CCC[C@H](C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000533295202 1029588919 /nfs/dbraw/zinc/58/89/19/1029588919.db2.gz YFOTWMDYXSEQEZ-SFHVURJKSA-N 1 3 348.494 3.775 20 0 EHADHO CN1CCC[C@H](C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000533295202 1029588923 /nfs/dbraw/zinc/58/89/23/1029588923.db2.gz YFOTWMDYXSEQEZ-SFHVURJKSA-N 1 3 348.494 3.775 20 0 EHADHO CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC000126528373 1029741694 /nfs/dbraw/zinc/74/16/94/1029741694.db2.gz YKBIRYVHZGJQII-IHBAFOEMSA-N 1 3 330.472 3.514 20 0 EHADHO Fc1ccc(Br)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000446886994 1029846724 /nfs/dbraw/zinc/84/67/24/1029846724.db2.gz MOYLGQCFRLOWPD-UHFFFAOYSA-N 1 3 341.268 3.552 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)CC1 ZINC001204886587 1030050058 /nfs/dbraw/zinc/05/00/58/1030050058.db2.gz JFJIXEGBPLKPJP-UHFFFAOYSA-N 1 3 330.369 3.762 20 0 EHADHO C[C@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)[C@H]1CC[NH3+] ZINC000650711965 1030066239 /nfs/dbraw/zinc/06/62/39/1030066239.db2.gz LBZUCXFHDDPARM-UWJYYQICSA-N 1 3 339.483 3.610 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453381866 1030163061 /nfs/dbraw/zinc/16/30/61/1030163061.db2.gz RJDPYJBYSXJUQO-WOJBJXKFSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453381866 1030163076 /nfs/dbraw/zinc/16/30/76/1030163076.db2.gz RJDPYJBYSXJUQO-WOJBJXKFSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531969137 1030175564 /nfs/dbraw/zinc/17/55/64/1030175564.db2.gz IFMBVULSKVDTLL-KBXCAEBGSA-N 1 3 331.504 3.588 20 0 EHADHO OC1(C(F)(F)F)CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000531995612 1030245292 /nfs/dbraw/zinc/24/52/92/1030245292.db2.gz ORDOCEYDWAGZKB-UHFFFAOYSA-N 1 3 348.453 3.609 20 0 EHADHO c1cc(CCC[NH2+]C2CCN(CC3CCCC3)CC2)cc2c1OCC2 ZINC000482227394 1030268469 /nfs/dbraw/zinc/26/84/69/1030268469.db2.gz DRCTZKOMSSSWNZ-UHFFFAOYSA-N 1 3 342.527 3.798 20 0 EHADHO c1ccc2c(c1)C=C(CNCc1ccc(C[NH+]3CCCC3)cc1)CO2 ZINC000171049272 1030547806 /nfs/dbraw/zinc/54/78/06/1030547806.db2.gz HRFFMSLQNMETTH-UHFFFAOYSA-N 1 3 334.463 3.848 20 0 EHADHO CCC[C@H]1CN(CCCn2ccnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000343401455 1030705208 /nfs/dbraw/zinc/70/52/08/1030705208.db2.gz KMNUINAJCCFLFG-NRFANRHFSA-N 1 3 340.515 3.568 20 0 EHADHO CCC[C@H]1CN(CCCn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000343401455 1030705223 /nfs/dbraw/zinc/70/52/23/1030705223.db2.gz KMNUINAJCCFLFG-NRFANRHFSA-N 1 3 340.515 3.568 20 0 EHADHO C[C@H](N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000643458549 1030799031 /nfs/dbraw/zinc/79/90/31/1030799031.db2.gz BXNZOODLKPDIRC-PREPNJAASA-N 1 3 332.332 3.626 20 0 EHADHO C[C@H](NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000643458550 1030800416 /nfs/dbraw/zinc/80/04/16/1030800416.db2.gz BXNZOODLKPDIRC-QFOLPQNPSA-N 1 3 332.332 3.626 20 0 EHADHO CSc1ccc([C@H](CNC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000550940183 1030811794 /nfs/dbraw/zinc/81/17/94/1030811794.db2.gz YQHMOSKWDXINKI-IBGZPJMESA-N 1 3 349.588 3.864 20 0 EHADHO c1c2ccccc2oc1[C@H](NCCC1CC[NH2+]CC1)c1cccnc1 ZINC000650762790 1030928652 /nfs/dbraw/zinc/92/86/52/1030928652.db2.gz KCOSRJBEWVMQRO-OAQYLSRUSA-N 1 3 335.451 3.897 20 0 EHADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000551063342 1031001708 /nfs/dbraw/zinc/00/17/08/1031001708.db2.gz PGHPIWJODSDBCE-FQEVSTJZSA-N 1 3 344.499 3.921 20 0 EHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993874 1031403590 /nfs/dbraw/zinc/40/35/90/1031403590.db2.gz QFPSPFDZEHEVRT-XJKSGUPXSA-N 1 3 326.406 3.901 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995490 1031435445 /nfs/dbraw/zinc/43/54/45/1031435445.db2.gz PAJQIWLNOVYYFR-DLBZAZTESA-N 1 3 343.515 3.791 20 0 EHADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995097 1031448892 /nfs/dbraw/zinc/44/88/92/1031448892.db2.gz DGOSEIDZVONCKV-HOCLYGCPSA-N 1 3 338.442 3.873 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000133000016 1031482649 /nfs/dbraw/zinc/48/26/49/1031482649.db2.gz FCBRJSRGEQCMAK-ZIAGYGMSSA-N 1 3 340.870 3.631 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960663 1031524238 /nfs/dbraw/zinc/52/42/38/1031524238.db2.gz CWLWKHDRRIIUJG-UTKZUKDTSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960663 1031524250 /nfs/dbraw/zinc/52/42/50/1031524250.db2.gz CWLWKHDRRIIUJG-UTKZUKDTSA-N 1 3 348.494 3.574 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Br)c2)C1 ZINC000551898414 1031750231 /nfs/dbraw/zinc/75/02/31/1031750231.db2.gz UURNZAQZUXWGTF-CABCVRRESA-N 1 3 339.321 3.873 20 0 EHADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000584199747 1031924613 /nfs/dbraw/zinc/92/46/13/1031924613.db2.gz VXNCRFHUZDLINH-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000584199747 1031924626 /nfs/dbraw/zinc/92/46/26/1031924626.db2.gz VXNCRFHUZDLINH-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO CC(=O)Nc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000181921477 1032043759 /nfs/dbraw/zinc/04/37/59/1032043759.db2.gz JRHIHKUZGASEFI-HNNXBMFYSA-N 1 3 325.456 3.557 20 0 EHADHO Cc1ccccc1-c1cccc(CNC2(CCO)CC[NH+](C)CC2)c1 ZINC000574651696 1033315727 /nfs/dbraw/zinc/31/57/27/1033315727.db2.gz SWLHVVRHEAYRCA-UHFFFAOYSA-N 1 3 338.495 3.598 20 0 EHADHO CC(C)C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(=O)OC(C)(C)C ZINC000595001775 1033627478 /nfs/dbraw/zinc/62/74/78/1033627478.db2.gz YNEKZSMLUGVOHV-OKZBNKHCSA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(=O)OC(C)(C)C ZINC000595001775 1033627497 /nfs/dbraw/zinc/62/74/97/1033627497.db2.gz YNEKZSMLUGVOHV-OKZBNKHCSA-N 1 3 338.536 3.597 20 0 EHADHO c1cc2cc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2s1 ZINC000655767748 1033727009 /nfs/dbraw/zinc/72/70/09/1033727009.db2.gz JIXICVGHSRVBJN-SFHVURJKSA-N 1 3 330.497 3.634 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C\C[N@@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771921 /nfs/dbraw/zinc/77/19/21/1033771921.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C\C[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771937 /nfs/dbraw/zinc/77/19/37/1033771937.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1C[N@H+](C/C=C\CN2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771954 /nfs/dbraw/zinc/77/19/54/1033771954.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1C[N@@H+](C/C=C\CN2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577909 1033771969 /nfs/dbraw/zinc/77/19/69/1033771969.db2.gz SIIGKPURBZQPGQ-SPCWZHTESA-N 1 3 342.618 3.689 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)ccn1 ZINC000658164880 1034029989 /nfs/dbraw/zinc/02/99/89/1034029989.db2.gz GJMXGAAQYRTGPA-LEWJYISDSA-N 1 3 327.516 3.852 20 0 EHADHO Cc1cccc2c1CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164856 1034030431 /nfs/dbraw/zinc/03/04/31/1034030431.db2.gz FYHIFTUCVTYRAF-JOCHJYFZSA-N 1 3 335.495 3.879 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614779 1034153935 /nfs/dbraw/zinc/15/39/35/1034153935.db2.gz IMVYAKPIKFQJCQ-JSGCOSHPSA-N 1 3 330.394 3.732 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614779 1034153943 /nfs/dbraw/zinc/15/39/43/1034153943.db2.gz IMVYAKPIKFQJCQ-JSGCOSHPSA-N 1 3 330.394 3.732 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686672 1034277722 /nfs/dbraw/zinc/27/77/22/1034277722.db2.gz VGQUUMIGCCBAAR-BVOGOJNSSA-N 1 3 330.516 3.959 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686672 1034277729 /nfs/dbraw/zinc/27/77/29/1034277729.db2.gz VGQUUMIGCCBAAR-BVOGOJNSSA-N 1 3 330.516 3.959 20 0 EHADHO c1nc(CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000450450177 1034355612 /nfs/dbraw/zinc/35/56/12/1034355612.db2.gz DRLXMAKTTKNVSC-HXUWFJFHSA-N 1 3 341.524 3.674 20 0 EHADHO c1nc(CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000450450177 1034355618 /nfs/dbraw/zinc/35/56/18/1034355618.db2.gz DRLXMAKTTKNVSC-HXUWFJFHSA-N 1 3 341.524 3.674 20 0 EHADHO Cc1nc(F)ccc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278794038 1034859766 /nfs/dbraw/zinc/85/97/66/1034859766.db2.gz QTXGVNMCAREQDO-BEFAXECRSA-N 1 3 327.447 3.529 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000310078280 1035332509 /nfs/dbraw/zinc/33/25/09/1035332509.db2.gz HKWGKYOUZNPAAE-WMZOPIPTSA-N 1 3 327.447 3.784 20 0 EHADHO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(C)C ZINC000892517216 1035372856 /nfs/dbraw/zinc/37/28/56/1035372856.db2.gz DQUBGZWSTVDAGP-CCNLRDMRSA-N 1 3 332.488 3.758 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000414078950 1035454819 /nfs/dbraw/zinc/45/48/19/1035454819.db2.gz BNERDFLVKQTTRH-LQWHRVPQSA-N 1 3 348.531 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000414078950 1035454824 /nfs/dbraw/zinc/45/48/24/1035454824.db2.gz BNERDFLVKQTTRH-LQWHRVPQSA-N 1 3 348.531 3.791 20 0 EHADHO CCCc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000613262263 1035477585 /nfs/dbraw/zinc/47/75/85/1035477585.db2.gz KKPICSFSZIDQRU-UHFFFAOYSA-N 1 3 326.484 3.869 20 0 EHADHO COc1cc(OC)c([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000414202839 1036041150 /nfs/dbraw/zinc/04/11/50/1036041150.db2.gz ZIMMQWYSIRRSNZ-KBPBESRZSA-N 1 3 340.895 3.740 20 0 EHADHO COc1cc(OC)c([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414202839 1036041172 /nfs/dbraw/zinc/04/11/72/1036041172.db2.gz ZIMMQWYSIRRSNZ-KBPBESRZSA-N 1 3 340.895 3.740 20 0 EHADHO Cc1cc([C@@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000414313971 1036613815 /nfs/dbraw/zinc/61/38/15/1036613815.db2.gz ZDOMMUGIOIYMJG-QGZVFWFLSA-N 1 3 342.483 3.574 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000423027471 1036619059 /nfs/dbraw/zinc/61/90/59/1036619059.db2.gz PDLDSJYMOOTEKC-QGZVFWFLSA-N 1 3 339.483 3.639 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)c3cccnc3)CC2)C1 ZINC000414325294 1036688545 /nfs/dbraw/zinc/68/85/45/1036688545.db2.gz CPTFCJNYZXRFCM-FXAWDEMLSA-N 1 3 329.532 3.992 20 0 EHADHO C[NH+]1CCC2(CCCN2Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000472600270 1037054107 /nfs/dbraw/zinc/05/41/07/1037054107.db2.gz VJZGHSHZVDXSBP-UHFFFAOYSA-N 1 3 328.378 3.645 20 0 EHADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000472600270 1037054123 /nfs/dbraw/zinc/05/41/23/1037054123.db2.gz VJZGHSHZVDXSBP-UHFFFAOYSA-N 1 3 328.378 3.645 20 0 EHADHO CN1CCC2(CCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000472600270 1037054138 /nfs/dbraw/zinc/05/41/38/1037054138.db2.gz VJZGHSHZVDXSBP-UHFFFAOYSA-N 1 3 328.378 3.645 20 0 EHADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000542150328 1037116707 /nfs/dbraw/zinc/11/67/07/1037116707.db2.gz DSCWGLKNSOWUPO-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000542150328 1037116694 /nfs/dbraw/zinc/11/66/94/1037116694.db2.gz DSCWGLKNSOWUPO-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CC(C)c1ccc([C@H](C)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000542268296 1037247476 /nfs/dbraw/zinc/24/74/76/1037247476.db2.gz YMSVFGVMQHGCQY-SFHVURJKSA-N 1 3 331.548 3.829 20 0 EHADHO CC(C)c1ccc([C@H](C)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000542268296 1037247479 /nfs/dbraw/zinc/24/74/79/1037247479.db2.gz YMSVFGVMQHGCQY-SFHVURJKSA-N 1 3 331.548 3.829 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423393161 1037339035 /nfs/dbraw/zinc/33/90/35/1037339035.db2.gz QOLLGDQJMFBYMA-JQFCIGGWSA-N 1 3 329.513 3.963 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461387 1037348001 /nfs/dbraw/zinc/34/80/01/1037348001.db2.gz MTQNVQQRCQVSBN-YAJHFMINSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461387 1037348022 /nfs/dbraw/zinc/34/80/22/1037348022.db2.gz MTQNVQQRCQVSBN-YAJHFMINSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461387 1037348043 /nfs/dbraw/zinc/34/80/43/1037348043.db2.gz MTQNVQQRCQVSBN-YAJHFMINSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN(C)C ZINC000491594725 1037576521 /nfs/dbraw/zinc/57/65/21/1037576521.db2.gz STIFCWCXGGDRTN-SFHVURJKSA-N 1 3 348.494 3.827 20 0 EHADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000540160391 1037618246 /nfs/dbraw/zinc/61/82/46/1037618246.db2.gz DGGZDEVXKUCPJZ-BHIFYINESA-N 1 3 342.527 3.885 20 0 EHADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000540171483 1037639066 /nfs/dbraw/zinc/63/90/66/1037639066.db2.gz YNIOXFLCFMICMX-IRFCIJBXSA-N 1 3 332.532 3.795 20 0 EHADHO C[C@H]1C[C@@H](NCCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082403 1037726256 /nfs/dbraw/zinc/72/62/56/1037726256.db2.gz NGTGRRDGJPABBZ-PXNSSMCTSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]1C[C@@H](NCCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082403 1037726272 /nfs/dbraw/zinc/72/62/72/1037726272.db2.gz NGTGRRDGJPABBZ-PXNSSMCTSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000479249326 1037830717 /nfs/dbraw/zinc/83/07/17/1037830717.db2.gz HJQHOCAOYYKRRX-KBRIMQKVSA-N 1 3 339.321 3.843 20 0 EHADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183154308 1037931677 /nfs/dbraw/zinc/93/16/77/1037931677.db2.gz QBHKWUOBHXYLHC-QHAWAJNXSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[C@@H](C)O1 ZINC000539218928 1038735684 /nfs/dbraw/zinc/73/56/84/1038735684.db2.gz WFILPXXLXFIZNH-JXXFODFXSA-N 1 3 334.479 3.756 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000552283898 1039136015 /nfs/dbraw/zinc/13/60/15/1039136015.db2.gz MCYNKCAPQAEIFL-CMOCDZPBSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000480094123 1039145378 /nfs/dbraw/zinc/14/53/78/1039145378.db2.gz OTXYEFAGPBFJFA-PZJWPPBQSA-N 1 3 343.559 3.751 20 0 EHADHO Cc1nc(C)c(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898518983 1039189669 /nfs/dbraw/zinc/18/96/69/1039189669.db2.gz LRMFSLOWTDCWHJ-AABGKKOBSA-N 1 3 339.483 3.682 20 0 EHADHO Cc1nc(C)c(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898518983 1039189682 /nfs/dbraw/zinc/18/96/82/1039189682.db2.gz LRMFSLOWTDCWHJ-AABGKKOBSA-N 1 3 339.483 3.682 20 0 EHADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000480165966 1039253454 /nfs/dbraw/zinc/25/34/54/1039253454.db2.gz OIMOYJPNOMYASD-KRWDZBQOSA-N 1 3 334.504 3.785 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000554372534 1039285574 /nfs/dbraw/zinc/28/55/74/1039285574.db2.gz NNCGPGONIMCPFU-SPOLIRPYSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554372534 1039285577 /nfs/dbraw/zinc/28/55/77/1039285577.db2.gz NNCGPGONIMCPFU-SPOLIRPYSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000554372534 1039285581 /nfs/dbraw/zinc/28/55/81/1039285581.db2.gz NNCGPGONIMCPFU-SPOLIRPYSA-N 1 3 334.454 3.920 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)CC3 ZINC000490124608 1040363360 /nfs/dbraw/zinc/36/33/60/1040363360.db2.gz KUGBAHNEBMCQLM-SJORKVTESA-N 1 3 325.500 3.655 20 0 EHADHO CCN(CC)[C@@H](CNC1CC[NH+](CC)CC1)c1ccccc1Cl ZINC000500047827 1040378663 /nfs/dbraw/zinc/37/86/63/1040378663.db2.gz DZGJCWPFDXTLEO-IBGZPJMESA-N 1 3 337.939 3.797 20 0 EHADHO CCN(CC)[C@@H](C[NH2+]C1CCN(CC)CC1)c1ccccc1Cl ZINC000500047827 1040378678 /nfs/dbraw/zinc/37/86/78/1040378678.db2.gz DZGJCWPFDXTLEO-IBGZPJMESA-N 1 3 337.939 3.797 20 0 EHADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512661737 1040448605 /nfs/dbraw/zinc/44/86/05/1040448605.db2.gz TYCYPLALVGYTEI-YTFSRNRJSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN([C@H]3C[C@H]3c3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000411213144 1040564219 /nfs/dbraw/zinc/56/42/19/1040564219.db2.gz BXNZYVMUNJQXPI-GQSCTRQFSA-N 1 3 346.490 3.503 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN([C@H]3C[C@H]3c3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000411213144 1040564234 /nfs/dbraw/zinc/56/42/34/1040564234.db2.gz BXNZYVMUNJQXPI-GQSCTRQFSA-N 1 3 346.490 3.503 20 0 EHADHO C[C@@H]1CN(Cc2cccc(Cl)c2Br)CCC[C@@H]1C[NH3+] ZINC001205995564 1132599645 /nfs/dbraw/zinc/59/96/45/1132599645.db2.gz PCLMSVBUFDQDIE-VXGBXAGGSA-N 1 3 345.712 3.909 20 0 EHADHO CN1CC[C@@H]([NH2+]CCCN2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000571329607 1041268155 /nfs/dbraw/zinc/26/81/55/1041268155.db2.gz CDGHMIHNMQZNRP-RTBURBONSA-N 1 3 335.923 3.551 20 0 EHADHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC001143519471 1042407694 /nfs/dbraw/zinc/40/76/94/1042407694.db2.gz NCBSMGGHCSQRMG-UHFFFAOYSA-N 1 3 342.405 3.632 20 0 EHADHO Fc1ccccc1-c1cnc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662294697 1042664158 /nfs/dbraw/zinc/66/41/58/1042664158.db2.gz RZWDJWLQUZFFJF-MRXNPFEDSA-N 1 3 343.446 3.692 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000221917220 1042713262 /nfs/dbraw/zinc/71/32/62/1042713262.db2.gz WJRGVSRCWSZOKW-QGZVFWFLSA-N 1 3 339.321 3.626 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107212 1043257730 /nfs/dbraw/zinc/25/77/30/1043257730.db2.gz QGUMFBICEQTBSO-NWDGAFQWSA-N 1 3 331.323 3.811 20 0 EHADHO CCCN1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774974976 1134172348 /nfs/dbraw/zinc/17/23/48/1134172348.db2.gz IADSQXGRDRQHRA-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000512188039 1043755515 /nfs/dbraw/zinc/75/55/15/1043755515.db2.gz UZEYKWCCVWUHDI-KDURUIRLSA-N 1 3 330.516 3.625 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000512188041 1043757219 /nfs/dbraw/zinc/75/72/19/1043757219.db2.gz UZEYKWCCVWUHDI-RTBURBONSA-N 1 3 330.516 3.625 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198203 1044170033 /nfs/dbraw/zinc/17/00/33/1044170033.db2.gz HFTVCZDZOJGLMH-GUYCJALGSA-N 1 3 337.305 3.974 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCCO4)[C@H]3C2)cc1 ZINC000512297690 1044562974 /nfs/dbraw/zinc/56/29/74/1044562974.db2.gz ZXOPCKLLCMJFES-CMOCDZPBSA-N 1 3 342.527 3.836 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCCC2 ZINC000512335090 1044760456 /nfs/dbraw/zinc/76/04/56/1044760456.db2.gz CBCAJALKTSRVPA-IZBJGVDFSA-N 1 3 334.548 3.967 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000154240095 1125705650 /nfs/dbraw/zinc/70/56/50/1125705650.db2.gz VBJFAPMAJMRVTA-GOSISDBHSA-N 1 3 343.515 3.728 20 0 EHADHO C[N@@H+]1CC[C@H](NCCc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623444540 1126957440 /nfs/dbraw/zinc/95/74/40/1126957440.db2.gz JWLWLESASSOKSL-ZDUSSCGKSA-N 1 3 337.920 3.955 20 0 EHADHO C[N@H+]1CC[C@H](NCCc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623444540 1126957441 /nfs/dbraw/zinc/95/74/41/1126957441.db2.gz JWLWLESASSOKSL-ZDUSSCGKSA-N 1 3 337.920 3.955 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3ccccc3s2)C[C@@H](C)O1 ZINC000177107102 1126974454 /nfs/dbraw/zinc/97/44/54/1126974454.db2.gz BHGYRZBLAXIKEX-HZPDHXFCSA-N 1 3 332.513 3.880 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000178035220 1127005203 /nfs/dbraw/zinc/00/52/03/1127005203.db2.gz IQAXIOHVEUTGLK-MCIONIFRSA-N 1 3 330.925 3.942 20 0 EHADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123537 1127256958 /nfs/dbraw/zinc/25/69/58/1127256958.db2.gz NTPZFLAYBCJYQJ-GJZGRUSLSA-N 1 3 328.422 3.958 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CC3 ZINC000624122731 1127257149 /nfs/dbraw/zinc/25/71/49/1127257149.db2.gz ZSTSHYMLVHDMLT-IAGOWNOFSA-N 1 3 325.500 3.655 20 0 EHADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c2ccccc21 ZINC000765066370 1127571617 /nfs/dbraw/zinc/57/16/17/1127571617.db2.gz FSUJNCGVODLRPT-GJZGRUSLSA-N 1 3 332.875 3.601 20 0 EHADHO CC[NH+](CC)CC1CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000765470409 1127616278 /nfs/dbraw/zinc/61/62/78/1127616278.db2.gz RUMXKXMPKWVPHL-UHFFFAOYSA-N 1 3 327.472 3.802 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000671741218 1128178373 /nfs/dbraw/zinc/17/83/73/1128178373.db2.gz SXMAYTVLYQCWGU-LJQANCHMSA-N 1 3 331.548 3.563 20 0 EHADHO CC(C)C[C@@H]([NH2+]C[C@@H](O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC001168622256 1128475078 /nfs/dbraw/zinc/47/50/78/1128475078.db2.gz IPAOJTUVFQBXNE-QZTJIDSGSA-N 1 3 326.912 3.718 20 0 EHADHO CCC[NH+]1CCC(N[C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)CC1 ZINC000338691624 1128593341 /nfs/dbraw/zinc/59/33/41/1128593341.db2.gz WSWBTKRUYUHXKB-VQTJNVASSA-N 1 3 344.499 3.632 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCSCC1 ZINC000187155362 1120488031 /nfs/dbraw/zinc/48/80/31/1120488031.db2.gz JODQDOYIJITGAA-MJGOQNOKSA-N 1 3 332.557 3.672 20 0 EHADHO Brc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000250087771 1120953557 /nfs/dbraw/zinc/95/35/57/1120953557.db2.gz UYSFHQVDOBGMJX-CCRGXQTGSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250087771 1120953559 /nfs/dbraw/zinc/95/35/59/1120953559.db2.gz UYSFHQVDOBGMJX-CCRGXQTGSA-N 1 3 349.316 3.912 20 0 EHADHO COc1ccc(C[C@@H](C)NCCC[N@H+](C)C2CCCCC2)cc1OC ZINC000237220657 1121477287 /nfs/dbraw/zinc/47/72/87/1121477287.db2.gz DNEOULDYRCXJMK-QGZVFWFLSA-N 1 3 348.531 3.879 20 0 EHADHO COc1ccc(C[C@@H](C)NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000237220657 1121477290 /nfs/dbraw/zinc/47/72/90/1121477290.db2.gz DNEOULDYRCXJMK-QGZVFWFLSA-N 1 3 348.531 3.879 20 0 EHADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000397509879 1121760898 /nfs/dbraw/zinc/76/08/98/1121760898.db2.gz KNCGGMBLRQBODK-KRWDZBQOSA-N 1 3 342.458 3.503 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c2ccccc21 ZINC000338791683 1129053383 /nfs/dbraw/zinc/05/33/83/1129053383.db2.gz ZSNDGFDTCIQCRI-SMOSDQRPSA-N 1 3 344.499 3.631 20 0 EHADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@@H]2CCC[C@H]21 ZINC000556872523 1123161876 /nfs/dbraw/zinc/16/18/76/1123161876.db2.gz YWFJZWAVLNSYBB-CBNQQXHVSA-N 1 3 347.572 3.593 20 0 EHADHO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000556924588 1123212556 /nfs/dbraw/zinc/21/25/56/1123212556.db2.gz UHQKXQAMWZCXBD-HOCLYGCPSA-N 1 3 326.406 3.829 20 0 EHADHO Cc1ncsc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499164561 1123258041 /nfs/dbraw/zinc/25/80/41/1123258041.db2.gz PBSSLLSDINNTIO-BCDXTJNWSA-N 1 3 327.497 3.737 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000237504146 1123522022 /nfs/dbraw/zinc/52/20/22/1123522022.db2.gz XDFGTIPACUNOJN-ZIAGYGMSSA-N 1 3 345.314 3.972 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000136352593 1123689135 /nfs/dbraw/zinc/68/91/35/1123689135.db2.gz HIIODKOEWBKMOT-UHFFFAOYSA-N 1 3 339.321 3.844 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953456 1123988951 /nfs/dbraw/zinc/98/89/51/1123988951.db2.gz PYZZUBHUZCNANB-NVXWUHKLSA-N 1 3 342.405 3.544 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953456 1123988952 /nfs/dbraw/zinc/98/89/52/1123988952.db2.gz PYZZUBHUZCNANB-NVXWUHKLSA-N 1 3 342.405 3.544 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000249375771 1124754040 /nfs/dbraw/zinc/75/40/40/1124754040.db2.gz JTSKNFQXFNVEED-VXGBXAGGSA-N 1 3 329.257 3.581 20 0 EHADHO Cc1cccc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000449295864 1124990920 /nfs/dbraw/zinc/99/09/20/1124990920.db2.gz VTDJZODEJXZMPM-IBGZPJMESA-N 1 3 337.511 3.618 20 0 EHADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000253183167 1125120655 /nfs/dbraw/zinc/12/06/55/1125120655.db2.gz GJULAAMZEKTQLK-QMTHXVAHSA-N 1 3 331.685 3.532 20 0 EHADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168841 1130227201 /nfs/dbraw/zinc/22/72/01/1130227201.db2.gz ZQPITRZJDSJBFU-HTAPYJJXSA-N 1 3 335.495 3.817 20 0 EHADHO C[C@H](CCSc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676251520 1130554657 /nfs/dbraw/zinc/55/46/57/1130554657.db2.gz POPZMPYXNFHHHN-QGZVFWFLSA-N 1 3 327.497 3.775 20 0 EHADHO c1nc2c(s1)C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC001173128121 1131975097 /nfs/dbraw/zinc/97/50/97/1131975097.db2.gz HBCZNBHWOIBKEO-KRWDZBQOSA-N 1 3 333.545 3.635 20 0 EHADHO c1nc2c(s1)C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CC2 ZINC001173128121 1131975103 /nfs/dbraw/zinc/97/51/03/1131975103.db2.gz HBCZNBHWOIBKEO-KRWDZBQOSA-N 1 3 333.545 3.635 20 0 EHADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2ncsc2C1 ZINC001173145311 1131983924 /nfs/dbraw/zinc/98/39/24/1131983924.db2.gz KJHKHENJUTUFNH-KRWDZBQOSA-N 1 3 333.545 3.729 20 0 EHADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2ncsc2C1 ZINC001173145311 1131983930 /nfs/dbraw/zinc/98/39/30/1131983930.db2.gz KJHKHENJUTUFNH-KRWDZBQOSA-N 1 3 333.545 3.729 20 0 EHADHO Cc1nc(F)ccc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000785485443 1132600295 /nfs/dbraw/zinc/60/02/95/1132600295.db2.gz HCODQXNFFOBVDY-JIPZTSHUSA-N 1 3 341.474 3.775 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109324 1132671620 /nfs/dbraw/zinc/67/16/20/1132671620.db2.gz AUAAWMHZZRANQW-UMPJEAMMSA-N 1 3 339.405 3.766 20 0 EHADHO FC1(F)CCC[C@H]1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898846 1132890976 /nfs/dbraw/zinc/89/09/76/1132890976.db2.gz CQPAIOFCBRVHOV-OTWHNJEPSA-N 1 3 334.454 3.876 20 0 EHADHO FC1(F)CCC[C@H]1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898846 1132890987 /nfs/dbraw/zinc/89/09/87/1132890987.db2.gz CQPAIOFCBRVHOV-OTWHNJEPSA-N 1 3 334.454 3.876 20 0 EHADHO CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001181222077 1133471627 /nfs/dbraw/zinc/47/16/27/1133471627.db2.gz DNNHTBSDQOHMNU-WOZUAGRISA-N 1 3 344.543 3.816 20 0 EHADHO C[C@@]1(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697166 1133518838 /nfs/dbraw/zinc/51/88/38/1133518838.db2.gz GLWDHDKERKIBHB-SFTDATJTSA-N 1 3 328.500 3.544 20 0 EHADHO C[C@@]1(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697166 1133518840 /nfs/dbraw/zinc/51/88/40/1133518840.db2.gz GLWDHDKERKIBHB-SFTDATJTSA-N 1 3 328.500 3.544 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(OC)c(F)c1 ZINC000072981145 1133874934 /nfs/dbraw/zinc/87/49/34/1133874934.db2.gz VHANDKJGEWALMY-UHFFFAOYSA-N 1 3 330.447 3.966 20 0 EHADHO C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001170134428 1134408932 /nfs/dbraw/zinc/40/89/32/1134408932.db2.gz BYUMYGYXWMWAKB-KZNAEPCWSA-N 1 3 348.556 3.992 20 0 EHADHO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775385901 1134696712 /nfs/dbraw/zinc/69/67/12/1134696712.db2.gz BMQKOPVKFDZVGG-LAUBAEHRSA-N 1 3 348.531 3.883 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1CN1CCCCC1 ZINC000775393111 1134709698 /nfs/dbraw/zinc/70/96/98/1134709698.db2.gz DHATZJPDUBOSHH-QGZVFWFLSA-N 1 3 341.499 3.870 20 0 EHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccn(C)c2)ccc1OC ZINC000775392776 1134710572 /nfs/dbraw/zinc/71/05/72/1134710572.db2.gz BBAZQPVPQHLXKT-MRXNPFEDSA-N 1 3 329.488 3.726 20 0 EHADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)nc1 ZINC000850542510 1136282721 /nfs/dbraw/zinc/28/27/21/1136282721.db2.gz PYRFVVQEKKMTDS-LAUBAEHRSA-N 1 3 327.516 3.789 20 0 EHADHO Cc1cc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000338939538 1136390908 /nfs/dbraw/zinc/39/09/08/1136390908.db2.gz GDVBRSURRCVCSW-GJZGRUSLSA-N 1 3 336.545 3.686 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000173360008 1136840021 /nfs/dbraw/zinc/84/00/21/1136840021.db2.gz NBNVZPKOUSZZLK-KKUMJFAQSA-N 1 3 326.431 3.505 20 0 EHADHO Cc1cc(C)cc([C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000818942492 1136893501 /nfs/dbraw/zinc/89/35/01/1136893501.db2.gz DTQPXYYIQABFAE-QFIPXVFZSA-N 1 3 338.495 3.722 20 0 EHADHO CC1CC[NH+]([C@H](CNc2ccnc(CO)c2)c2cccs2)CC1 ZINC000858315962 1136957625 /nfs/dbraw/zinc/95/76/25/1136957625.db2.gz DUEQNBLJXVXSGS-QGZVFWFLSA-N 1 3 331.485 3.521 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ccnc(CN)c3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171028476 1137111832 /nfs/dbraw/zinc/11/18/32/1137111832.db2.gz GJSRTXSGGGVXAA-LDJCDLSFSA-N 1 3 344.547 3.911 20 0 EHADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144185 1137242892 /nfs/dbraw/zinc/24/28/92/1137242892.db2.gz NVJVSYCXSIOQHK-HUUCEWRRSA-N 1 3 327.299 3.925 20 0 EHADHO c1cc2ccc(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186161 1137250920 /nfs/dbraw/zinc/25/09/20/1137250920.db2.gz QUQZXFJLLWPMDJ-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1cc2ccc(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186161 1137250922 /nfs/dbraw/zinc/25/09/22/1137250922.db2.gz QUQZXFJLLWPMDJ-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO COCc1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000865718249 1137306418 /nfs/dbraw/zinc/30/64/18/1137306418.db2.gz WQRLAGQQTVCHCZ-UHFFFAOYSA-N 1 3 342.483 3.818 20 0 EHADHO c1cc2cccc(CN3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144717433 1137334767 /nfs/dbraw/zinc/33/47/67/1137334767.db2.gz QYPIKNKNBDUEAM-SFTDATJTSA-N 1 3 331.463 3.732 20 0 EHADHO C[C@H]1C[C@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000866470638 1137357546 /nfs/dbraw/zinc/35/75/46/1137357546.db2.gz WOHCSLBAJSGANS-PXNSSMCTSA-N 1 3 338.499 3.781 20 0 EHADHO C[C@H](NC1CCC(C)([NH+](C)C)CC1)c1ncc(Br)s1 ZINC000866516686 1137360818 /nfs/dbraw/zinc/36/08/18/1137360818.db2.gz SKHBCGUHGGXPHR-IFQILLTASA-N 1 3 346.338 3.819 20 0 EHADHO COC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC1 ZINC000716678296 1137488197 /nfs/dbraw/zinc/48/81/97/1137488197.db2.gz JEYLXKVUIGLLJC-UFYCRDLUSA-N 1 3 328.500 3.588 20 0 EHADHO Cc1cnc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(C)c1 ZINC000716708580 1137488622 /nfs/dbraw/zinc/48/86/22/1137488622.db2.gz RDXGXAMUVDQGSQ-FKBYEOEOSA-N 1 3 349.522 3.884 20 0 EHADHO CCC(CC)[N@@H+]1CC[C@H](N[C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519732 1137495984 /nfs/dbraw/zinc/49/59/84/1137495984.db2.gz IYODAJIVXFDSQO-KBPBESRZSA-N 1 3 340.433 3.814 20 0 EHADHO CCC(CC)[N@H+]1CC[C@H](N[C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519732 1137495986 /nfs/dbraw/zinc/49/59/86/1137495986.db2.gz IYODAJIVXFDSQO-KBPBESRZSA-N 1 3 340.433 3.814 20 0 EHADHO CCCc1noc([C@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641409 1137504871 /nfs/dbraw/zinc/50/48/71/1137504871.db2.gz GNRWVHWOLMVJGF-HNNXBMFYSA-N 1 3 348.535 3.853 20 0 EHADHO CCCc1noc([C@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641409 1137504872 /nfs/dbraw/zinc/50/48/72/1137504872.db2.gz GNRWVHWOLMVJGF-HNNXBMFYSA-N 1 3 348.535 3.853 20 0 EHADHO CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962177 1137519545 /nfs/dbraw/zinc/51/95/45/1137519545.db2.gz BSJJKIUUYUZDEI-HXUWFJFHSA-N 1 3 329.532 3.504 20 0 EHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCN2CCCCC2)C3)cc1 ZINC001172067381 1137533644 /nfs/dbraw/zinc/53/36/44/1137533644.db2.gz NAQNZNYAAWXVPM-DKUWSORSSA-N 1 3 341.543 3.648 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070101 1137535100 /nfs/dbraw/zinc/53/51/00/1137535100.db2.gz WZBUOEJEDYRFJY-BDHVOXNPSA-N 1 3 340.511 3.683 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070101 1137535101 /nfs/dbraw/zinc/53/51/01/1137535101.db2.gz WZBUOEJEDYRFJY-BDHVOXNPSA-N 1 3 340.511 3.683 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC001172107992 1137537264 /nfs/dbraw/zinc/53/72/64/1137537264.db2.gz NFTFBPJFMHRJKB-FYKMYLNBSA-N 1 3 341.543 3.644 20 0 EHADHO COc1ccc([C@@H]2CCCN2Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873200538 1137593791 /nfs/dbraw/zinc/59/37/91/1137593791.db2.gz CBWVVZMJGVODDP-SFHVURJKSA-N 1 3 328.481 3.740 20 0 EHADHO CCCC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1 ZINC000873247571 1137595267 /nfs/dbraw/zinc/59/52/67/1137595267.db2.gz POGGMFBAQFNFRY-NRFANRHFSA-N 1 3 349.482 3.747 20 0 EHADHO c1ccc([C@@H]2C[C@H](NCC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638436 1137683857 /nfs/dbraw/zinc/68/38/57/1137683857.db2.gz GSNKLXMFQILSOL-WBVHZDCISA-N 1 3 334.554 3.750 20 0 EHADHO c1ccc([C@@H]2C[C@H](NCC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638436 1137683858 /nfs/dbraw/zinc/68/38/58/1137683858.db2.gz GSNKLXMFQILSOL-WBVHZDCISA-N 1 3 334.554 3.750 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)CC1 ZINC000877684491 1137685689 /nfs/dbraw/zinc/68/56/89/1137685689.db2.gz OTQUQDYXGUAAFD-UHFFFAOYSA-N 1 3 342.462 3.524 20 0 EHADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000880476077 1137779927 /nfs/dbraw/zinc/77/99/27/1137779927.db2.gz NGTASQRYUVWAPL-PMACEKPBSA-N 1 3 328.500 3.857 20 0 EHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176310 1137847370 /nfs/dbraw/zinc/84/73/70/1137847370.db2.gz ZYRDCSPYTOCCOS-UZLBHIALSA-N 1 3 334.479 3.615 20 0 EHADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176310 1137847371 /nfs/dbraw/zinc/84/73/71/1137847371.db2.gz ZYRDCSPYTOCCOS-UZLBHIALSA-N 1 3 334.479 3.615 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000120023492 1137946002 /nfs/dbraw/zinc/94/60/02/1137946002.db2.gz GGYHXUILKAWUEM-MRXNPFEDSA-N 1 3 345.531 3.919 20 0 EHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202722466 1137953524 /nfs/dbraw/zinc/95/35/24/1137953524.db2.gz SWUCZPUCAVAUPX-KRWDZBQOSA-N 1 3 334.529 3.604 20 0 EHADHO CCCN1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135685150 1137979924 /nfs/dbraw/zinc/97/99/24/1137979924.db2.gz HJPLXLINJFHDJU-KRWDZBQOSA-N 1 3 345.314 3.833 20 0 EHADHO CCCN1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135685150 1137979927 /nfs/dbraw/zinc/97/99/27/1137979927.db2.gz HJPLXLINJFHDJU-KRWDZBQOSA-N 1 3 345.314 3.833 20 0 EHADHO CC(C)[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517457 1138088452 /nfs/dbraw/zinc/08/84/52/1138088452.db2.gz DTWSDADWMUDUAU-TZIWHRDSSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517457 1138088454 /nfs/dbraw/zinc/08/84/54/1138088454.db2.gz DTWSDADWMUDUAU-TZIWHRDSSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605390 1138100981 /nfs/dbraw/zinc/10/09/81/1138100981.db2.gz PNSJCWZPQDFVJY-RTWAWAEBSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605390 1138100982 /nfs/dbraw/zinc/10/09/82/1138100982.db2.gz PNSJCWZPQDFVJY-RTWAWAEBSA-N 1 3 340.515 3.619 20 0 EHADHO CN(C)C(=O)Sc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000084083764 1138177482 /nfs/dbraw/zinc/17/74/82/1138177482.db2.gz WSRRDZVHRANMMC-UHFFFAOYSA-N 1 3 349.544 3.624 20 0 EHADHO CCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253454 1138226277 /nfs/dbraw/zinc/22/62/77/1138226277.db2.gz PBHWBMUKCWXUTQ-AWEZNQCLSA-N 1 3 340.895 3.521 20 0 EHADHO CCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253454 1138226279 /nfs/dbraw/zinc/22/62/79/1138226279.db2.gz PBHWBMUKCWXUTQ-AWEZNQCLSA-N 1 3 340.895 3.521 20 0 EHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccco1 ZINC000124641493 1138291370 /nfs/dbraw/zinc/29/13/70/1138291370.db2.gz ZEEPSAGHXMAWPY-ZACQAIPSSA-N 1 3 328.456 3.740 20 0 EHADHO CC(C)[NH+]1CCC(N(C)CCCc2nc(-c3cccs3)no2)CC1 ZINC000338252982 1138801986 /nfs/dbraw/zinc/80/19/86/1138801986.db2.gz DNAPDJAHRFIYLJ-UHFFFAOYSA-N 1 3 348.516 3.535 20 0 EHADHO CC(=O)Nc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000181929925 1139940138 /nfs/dbraw/zinc/94/01/38/1139940138.db2.gz LPQNHUVUXBAGPW-HNNXBMFYSA-N 1 3 325.456 3.557 20 0 EHADHO Cc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)s1 ZINC000182272316 1139962518 /nfs/dbraw/zinc/96/25/18/1139962518.db2.gz IVHJOJQASVCDLJ-KXBFYZLASA-N 1 3 344.524 3.782 20 0 EHADHO Cc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000182272316 1139962523 /nfs/dbraw/zinc/96/25/23/1139962523.db2.gz IVHJOJQASVCDLJ-KXBFYZLASA-N 1 3 344.524 3.782 20 0 EHADHO Cc1cccc2c1ncc(C)c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185311612 1140144684 /nfs/dbraw/zinc/14/46/84/1140144684.db2.gz LHICBQGWNNISTR-QGZVFWFLSA-N 1 3 339.483 3.764 20 0 EHADHO CCSc1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000185582653 1140156925 /nfs/dbraw/zinc/15/69/25/1140156925.db2.gz UECMBCXVBKWBGA-PMACEKPBSA-N 1 3 348.556 3.656 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000195446531 1140639011 /nfs/dbraw/zinc/63/90/11/1140639011.db2.gz GCYNQMCBHDIEGE-MOPGFXCFSA-N 1 3 336.907 3.506 20 0 EHADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000268872285 1141015234 /nfs/dbraw/zinc/01/52/34/1141015234.db2.gz VRRCXKWOWCXHFL-KRWDZBQOSA-N 1 3 345.314 3.881 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928655 1141027783 /nfs/dbraw/zinc/02/77/83/1141027783.db2.gz YUPLIQGJKKFQLJ-MSOLQXFVSA-N 1 3 326.488 3.643 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000269053161 1141056171 /nfs/dbraw/zinc/05/61/71/1141056171.db2.gz IPQSCMHDAMRKLA-SNRMKQJTSA-N 1 3 346.519 3.740 20 0 EHADHO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269128573 1141070192 /nfs/dbraw/zinc/07/01/92/1141070192.db2.gz ZCXDURWKCQUPFA-MRXNPFEDSA-N 1 3 344.524 3.864 20 0 EHADHO Cc1ccsc1[C@@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269128573 1141070200 /nfs/dbraw/zinc/07/02/00/1141070200.db2.gz ZCXDURWKCQUPFA-MRXNPFEDSA-N 1 3 344.524 3.864 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCC1([NH+]2CCCC2)CCOCC1 ZINC000271151942 1141315196 /nfs/dbraw/zinc/31/51/96/1141315196.db2.gz QJSFXUKCAZBRBX-MJGOQNOKSA-N 1 3 328.500 3.778 20 0 EHADHO Cc1cc(Br)cc(C)c1CNC1CC[NH+](C2CC2)CC1 ZINC000459395805 1032059247 /nfs/dbraw/zinc/05/92/47/1032059247.db2.gz ZDSXUZDNDFLHSI-UHFFFAOYSA-N 1 3 337.305 3.782 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CNC(c1ccccc1)c1ccccc1 ZINC000180735194 1016032317 /nfs/dbraw/zinc/03/23/17/1016032317.db2.gz ZHNWPWXXVRZICD-FQEVSTJZSA-N 1 3 326.484 3.722 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)C1 ZINC000659286261 1016441134 /nfs/dbraw/zinc/44/11/34/1016441134.db2.gz VYIPTCUHPLHXMB-INIZCTEOSA-N 1 3 341.499 3.519 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)C1 ZINC000659286261 1016441143 /nfs/dbraw/zinc/44/11/43/1016441143.db2.gz VYIPTCUHPLHXMB-INIZCTEOSA-N 1 3 341.499 3.519 20 0 EHADHO CC1CC[NH+](C2CCC(N[C@H](c3nccn3C)C3CC3)CC2)CC1 ZINC000183353054 1032165922 /nfs/dbraw/zinc/16/59/22/1032165922.db2.gz WHKGFXOVYQSXHJ-ACBHZAAOSA-N 1 3 330.520 3.504 20 0 EHADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440242 1032299400 /nfs/dbraw/zinc/29/94/00/1032299400.db2.gz KRPKRKNPKUCEQI-MMOPVJDHSA-N 1 3 348.506 3.626 20 0 EHADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440242 1032299414 /nfs/dbraw/zinc/29/94/14/1032299414.db2.gz KRPKRKNPKUCEQI-MMOPVJDHSA-N 1 3 348.506 3.626 20 0 EHADHO Cc1nc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c(C)o1 ZINC000449214346 1032319200 /nfs/dbraw/zinc/31/92/00/1032319200.db2.gz YMHYWWMBLWRJPC-MRXNPFEDSA-N 1 3 341.499 3.519 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000536861141 1032358794 /nfs/dbraw/zinc/35/87/94/1032358794.db2.gz DAKMQLZWUZFRBB-BZUAXINKSA-N 1 3 336.545 3.777 20 0 EHADHO COc1cccc2c1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000459704229 1032412418 /nfs/dbraw/zinc/41/24/18/1032412418.db2.gz PNCWJNQVFRORSI-SFHVURJKSA-N 1 3 328.500 3.549 20 0 EHADHO COc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000459704229 1032412425 /nfs/dbraw/zinc/41/24/25/1032412425.db2.gz PNCWJNQVFRORSI-SFHVURJKSA-N 1 3 328.500 3.549 20 0 EHADHO Fc1cc2c(c(F)c1F)[C@H](NCCCCC[NH+]1CCCC1)CC2 ZINC000449346460 1032462142 /nfs/dbraw/zinc/46/21/42/1032462142.db2.gz ZOVKHSFZZKYZCP-OAHLLOKOSA-N 1 3 326.406 3.947 20 0 EHADHO CCN1CCN(CCC[NH2+]C2CCC(C3CCCCC3)CC2)CC1 ZINC000683471233 1017216101 /nfs/dbraw/zinc/21/61/01/1017216101.db2.gz DIRCFUXSZATYIR-UHFFFAOYSA-N 1 3 335.580 3.743 20 0 EHADHO [O-]c1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000892752285 1017325645 /nfs/dbraw/zinc/32/56/45/1017325645.db2.gz FIZBPYLSYXOIDM-UHFFFAOYSA-N 1 3 334.460 3.595 20 0 EHADHO Cc1cc2c(c(C)c1)[C@@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000655732445 1017486081 /nfs/dbraw/zinc/48/60/81/1017486081.db2.gz BQNIRYVUUIMLPI-PWRODBHTSA-N 1 3 342.527 3.648 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415071240 1017503841 /nfs/dbraw/zinc/50/38/41/1017503841.db2.gz WENOGJQAEHVWHY-KXBFYZLASA-N 1 3 331.504 3.634 20 0 EHADHO C[C@@H](CNC[C@@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415085147 1017516840 /nfs/dbraw/zinc/51/68/40/1017516840.db2.gz HYVJKQDSBLYRNX-QWHCGFSZSA-N 1 3 343.334 3.519 20 0 EHADHO c1cn(Cc2ccc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)cn1 ZINC000415080415 1017521215 /nfs/dbraw/zinc/52/12/15/1017521215.db2.gz JFZSVNCPMNUNCX-FGZHOGPDSA-N 1 3 346.478 3.514 20 0 EHADHO CC[C@@H](CN[C@@H]1CCC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000415127214 1017579365 /nfs/dbraw/zinc/57/93/65/1017579365.db2.gz VNVAQRKFHCWTQP-KGLIPLIRSA-N 1 3 330.394 3.595 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129999 1017595617 /nfs/dbraw/zinc/59/56/17/1017595617.db2.gz WCTMNNQGHJXOQP-VQIMIIECSA-N 1 3 336.907 3.621 20 0 EHADHO CN(CCNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000151025861 1017888460 /nfs/dbraw/zinc/88/84/60/1017888460.db2.gz WMOLTXDMLSXNER-UHFFFAOYSA-N 1 3 329.532 3.505 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470277 1017966697 /nfs/dbraw/zinc/96/66/97/1017966697.db2.gz NKKZNZBDSYLNFK-QUCCMNQESA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(OCC2CC2)c(F)c1 ZINC000893131875 1018588093 /nfs/dbraw/zinc/58/80/93/1018588093.db2.gz GVQRBPHNFZYKMF-TZUVLKIQSA-N 1 3 332.463 3.890 20 0 EHADHO CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000449556126 1032799042 /nfs/dbraw/zinc/79/90/42/1032799042.db2.gz KUFVUBIAYIDUFC-AYHJJNSGSA-N 1 3 332.488 3.589 20 0 EHADHO CN1CC=C(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275963388 1019974368 /nfs/dbraw/zinc/97/43/68/1019974368.db2.gz WCHSUANEIHUNDP-OAHLLOKOSA-N 1 3 341.318 3.813 20 0 EHADHO CCN(Cc1c(-c2ccccc2)nc2ccccn21)[C@H]1CCC[NH2+]CC1 ZINC000345191596 1020013714 /nfs/dbraw/zinc/01/37/14/1020013714.db2.gz RMEBLZSNNZSHBP-IBGZPJMESA-N 1 3 348.494 3.965 20 0 EHADHO C[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276164362 1020789182 /nfs/dbraw/zinc/78/91/82/1020789182.db2.gz HJOSCQJUCADLQH-ZNMIVQPWSA-N 1 3 328.460 3.732 20 0 EHADHO CCCN1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168251 1021093913 /nfs/dbraw/zinc/09/39/13/1021093913.db2.gz ASLYFGCZZGAHEL-FQEVSTJZSA-N 1 3 329.532 3.504 20 0 EHADHO c1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656683186 1021160203 /nfs/dbraw/zinc/16/02/03/1021160203.db2.gz IYNJGUJJHPIQLN-JOCHJYFZSA-N 1 3 335.495 3.961 20 0 EHADHO Fc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000656683516 1021166107 /nfs/dbraw/zinc/16/61/07/1021166107.db2.gz MNPKIHTXGMFBNN-OAQYLSRUSA-N 1 3 339.458 3.710 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000656684320 1021169620 /nfs/dbraw/zinc/16/96/20/1021169620.db2.gz VHXYORXOTAASAH-HNNXBMFYSA-N 1 3 345.437 3.923 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000656684321 1021169774 /nfs/dbraw/zinc/16/97/74/1021169774.db2.gz VHXYORXOTAASAH-OAHLLOKOSA-N 1 3 345.437 3.923 20 0 EHADHO CC(C)C[C@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000684359952 1021273681 /nfs/dbraw/zinc/27/36/81/1021273681.db2.gz LWNJVIALBIGRAO-YADHBBJMSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)C[C@H](CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000684359952 1021273694 /nfs/dbraw/zinc/27/36/94/1021273694.db2.gz LWNJVIALBIGRAO-YADHBBJMSA-N 1 3 343.559 3.528 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)c(-c2ccnn2C)c1 ZINC000516318668 1021295666 /nfs/dbraw/zinc/29/56/66/1021295666.db2.gz SJTTYMJXGKCENO-UHFFFAOYSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cs1 ZINC000296785209 1021431667 /nfs/dbraw/zinc/43/16/67/1021431667.db2.gz LWTPVDLXDDYHBU-UHFFFAOYSA-N 1 3 330.497 3.819 20 0 EHADHO COc1cccc(-c2csc(CNCC[C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000894860789 1021505447 /nfs/dbraw/zinc/50/54/47/1021505447.db2.gz GPEHMTBJDVDHNY-OAHLLOKOSA-N 1 3 345.512 3.640 20 0 EHADHO COc1cccc(-c2csc(CNCC[C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000894860789 1021505476 /nfs/dbraw/zinc/50/54/76/1021505476.db2.gz GPEHMTBJDVDHNY-OAHLLOKOSA-N 1 3 345.512 3.640 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564943 1021952427 /nfs/dbraw/zinc/95/24/27/1021952427.db2.gz BEAZIWDIVBXWJB-ZBFHGGJFSA-N 1 3 344.421 3.932 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564943 1021952439 /nfs/dbraw/zinc/95/24/39/1021952439.db2.gz BEAZIWDIVBXWJB-ZBFHGGJFSA-N 1 3 344.421 3.932 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CCC3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000441052977 1021957571 /nfs/dbraw/zinc/95/75/71/1021957571.db2.gz RXKDONSCIXMIJO-WOJBJXKFSA-N 1 3 349.607 3.939 20 0 EHADHO CCCc1ccc2nccc(N3CCO[C@@H](CCC[NH+](C)C)C3)c2c1 ZINC000664653450 1022094631 /nfs/dbraw/zinc/09/46/31/1022094631.db2.gz AHLFNQRSXAEROM-SFHVURJKSA-N 1 3 341.499 3.734 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891611266 1022095782 /nfs/dbraw/zinc/09/57/82/1022095782.db2.gz HOVYVTFCIUWTIQ-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]CCCN ZINC000437790892 1022143077 /nfs/dbraw/zinc/14/30/77/1022143077.db2.gz ZIKAQUBYTJAACW-IFLJBQAJSA-N 1 3 328.500 3.555 20 0 EHADHO Cc1ncsc1CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471871710 1022777438 /nfs/dbraw/zinc/77/74/38/1022777438.db2.gz MPFBPCNLVPBUEC-RBUKOAKNSA-N 1 3 343.540 3.666 20 0 EHADHO Cc1ncsc1CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471871710 1022777449 /nfs/dbraw/zinc/77/74/49/1022777449.db2.gz MPFBPCNLVPBUEC-RBUKOAKNSA-N 1 3 343.540 3.666 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000506863929 1022956479 /nfs/dbraw/zinc/95/64/79/1022956479.db2.gz YPIAPRHVEYFPMS-UHFFFAOYSA-N 1 3 326.488 3.631 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2NCCc3ccccc32)CC1 ZINC000414955853 1023015901 /nfs/dbraw/zinc/01/59/01/1023015901.db2.gz NTCSTVMLIUDDSS-YHYVQYDKSA-N 1 3 341.543 3.506 20 0 EHADHO Brc1ccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000212271749 1033117185 /nfs/dbraw/zinc/11/71/85/1033117185.db2.gz VPSQWDNRVCGRAH-CQSZACIVSA-N 1 3 337.305 3.628 20 0 EHADHO CCCOc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OC ZINC000092381249 1023399314 /nfs/dbraw/zinc/39/93/14/1023399314.db2.gz WADNPKBXSODADP-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483044 1023471773 /nfs/dbraw/zinc/47/17/73/1023471773.db2.gz PAPPYZZTRGAELU-RXVVDRJESA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H](NCc1cccc(N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483044 1023471776 /nfs/dbraw/zinc/47/17/76/1023471776.db2.gz PAPPYZZTRGAELU-RXVVDRJESA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H](NCc1cccc(N(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483044 1023471780 /nfs/dbraw/zinc/47/17/80/1023471780.db2.gz PAPPYZZTRGAELU-RXVVDRJESA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000092665380 1023476878 /nfs/dbraw/zinc/47/68/78/1023476878.db2.gz KFHAUTJITHVZIN-RTBURBONSA-N 1 3 335.580 3.693 20 0 EHADHO C[C@H]1CC([NH2+]Cc2ccnc(F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168024456 1024330407 /nfs/dbraw/zinc/33/04/07/1024330407.db2.gz GVPVKZKAHAKYOP-HOTGVXAUSA-N 1 3 327.447 3.752 20 0 EHADHO Cc1ccc(Br)cc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000190696465 1024335282 /nfs/dbraw/zinc/33/52/82/1024335282.db2.gz HRRXVCDTAUZOSB-UHFFFAOYSA-N 1 3 325.294 3.720 20 0 EHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853115 1024405127 /nfs/dbraw/zinc/40/51/27/1024405127.db2.gz RVJGNNAHMWPGNG-GUYCJALGSA-N 1 3 337.895 3.554 20 0 EHADHO Cc1ccc2nccc(NC3CC[NH+]([C@H](C)c4ccncc4)CC3)c2c1 ZINC000425244366 1024501623 /nfs/dbraw/zinc/50/16/23/1024501623.db2.gz UXEWZCOMABYHLT-QGZVFWFLSA-N 1 3 346.478 3.998 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCC(F)(F)F)cc1F ZINC000665260010 1025055730 /nfs/dbraw/zinc/05/57/30/1025055730.db2.gz WMNFSJZXQDANFB-ZLDLUXBVSA-N 1 3 348.384 3.600 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(C(F)(F)F)s1 ZINC000443979717 1025132977 /nfs/dbraw/zinc/13/29/77/1025132977.db2.gz BIBGBTYURVZJMG-GFCCVEGCSA-N 1 3 335.439 3.906 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(C(F)(F)F)s1 ZINC000443979717 1025132986 /nfs/dbraw/zinc/13/29/86/1025132986.db2.gz BIBGBTYURVZJMG-GFCCVEGCSA-N 1 3 335.439 3.906 20 0 EHADHO CC(C)[C@H](C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000474596934 1025180650 /nfs/dbraw/zinc/18/06/50/1025180650.db2.gz HWYWSVGWPSUYAH-SBHAEUEKSA-N 1 3 332.532 3.905 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000322290116 1033268854 /nfs/dbraw/zinc/26/88/54/1033268854.db2.gz TYOXSNUEPQXTMD-UHFFFAOYSA-N 1 3 348.434 3.628 20 0 EHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442779241 1025473068 /nfs/dbraw/zinc/47/30/68/1025473068.db2.gz LORYWUVHCXCCRQ-IKGGRYGDSA-N 1 3 337.467 3.669 20 0 EHADHO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000442785344 1025477590 /nfs/dbraw/zinc/47/75/90/1025477590.db2.gz VOJJUCGJJQRMNC-GOSISDBHSA-N 1 3 337.511 3.879 20 0 EHADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000392246451 1025648621 /nfs/dbraw/zinc/64/86/21/1025648621.db2.gz GFDOXBSJIUZMCR-IBGZPJMESA-N 1 3 329.488 3.519 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000582456161 1026316503 /nfs/dbraw/zinc/31/65/03/1026316503.db2.gz DXSZNNCJXIBSJZ-JBACZVJFSA-N 1 3 330.516 3.693 20 0 EHADHO Fc1cc([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420374064 1027513748 /nfs/dbraw/zinc/51/37/48/1027513748.db2.gz NBTVWXDCQLSPLT-LRDDRELGSA-N 1 3 341.268 3.725 20 0 EHADHO Fc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)cc1OC(F)(F)F ZINC001204735483 1027561081 /nfs/dbraw/zinc/56/10/81/1027561081.db2.gz VIHZZWBYEPQTPZ-UHFFFAOYSA-N 1 3 346.368 3.690 20 0 EHADHO N[C@H]1C[C@H]([NH2+]CCc2cc(Br)ccc2F)c2ccccc21 ZINC000422706428 1027865554 /nfs/dbraw/zinc/86/55/54/1027865554.db2.gz UIYDBDRSWGWLRS-IRXDYDNUSA-N 1 3 349.247 3.865 20 0 EHADHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC1CCCC1 ZINC000422715677 1027883978 /nfs/dbraw/zinc/88/39/78/1027883978.db2.gz SOTFXSKHYLTSNM-FUHWJXTLSA-N 1 3 332.488 3.624 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422722221 1027891088 /nfs/dbraw/zinc/89/10/88/1027891088.db2.gz XFISZTHTNZNKQU-QUCCMNQESA-N 1 3 343.515 3.813 20 0 EHADHO C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422744954 1027910221 /nfs/dbraw/zinc/91/02/21/1027910221.db2.gz WVTPSVTXHHEODF-UTKZUKDTSA-N 1 3 338.499 3.618 20 0 EHADHO c1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422747226 1027913821 /nfs/dbraw/zinc/91/38/21/1027913821.db2.gz PNLGODHGBPLQMT-ZIBCJSCZSA-N 1 3 327.516 3.556 20 0 EHADHO Cc1ccc(CSCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422769688 1027926765 /nfs/dbraw/zinc/92/67/65/1027926765.db2.gz OYZGXGPMSHVCAZ-OAHLLOKOSA-N 1 3 329.513 3.741 20 0 EHADHO COc1ccc(-c2csc(CN[C@H]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC000422826899 1027972584 /nfs/dbraw/zinc/97/25/84/1027972584.db2.gz RLFDNIKQQGBYIC-LIRRHRJNSA-N 1 3 330.497 3.901 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422835937 1027976335 /nfs/dbraw/zinc/97/63/35/1027976335.db2.gz ZKTBXFWNEIRHDZ-APWZRJJASA-N 1 3 334.467 3.503 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422818156 1027983440 /nfs/dbraw/zinc/98/34/40/1027983440.db2.gz JKDSSRDJBBKCTG-NORZTCDRSA-N 1 3 329.410 3.868 20 0 EHADHO COc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422852276 1027986824 /nfs/dbraw/zinc/98/68/24/1027986824.db2.gz AHRYLAUTGGPVDG-DZGCQCFKSA-N 1 3 343.471 3.586 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cnccc1N ZINC000422852758 1027991196 /nfs/dbraw/zinc/99/11/96/1027991196.db2.gz BGAZLVDGNKPRDQ-SJORKVTESA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnccc1N ZINC000422852758 1027991213 /nfs/dbraw/zinc/99/12/13/1027991213.db2.gz BGAZLVDGNKPRDQ-SJORKVTESA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422876078 1028006853 /nfs/dbraw/zinc/00/68/53/1028006853.db2.gz FYSNXBPFBOEOFT-BXWFABGCSA-N 1 3 343.540 3.563 20 0 EHADHO CSc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422885124 1028020445 /nfs/dbraw/zinc/02/04/45/1028020445.db2.gz YCNUMXOOGVBBBG-UYAOXDASSA-N 1 3 340.492 3.754 20 0 EHADHO CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422929854 1028059754 /nfs/dbraw/zinc/05/97/54/1028059754.db2.gz AHCYVIJQMVHEMN-FCGDIQPGSA-N 1 3 344.499 3.809 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967714 1028080010 /nfs/dbraw/zinc/08/00/10/1028080010.db2.gz CGXCZTRMNNMVHU-FCGDIQPGSA-N 1 3 333.520 3.563 20 0 EHADHO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000423011365 1028123539 /nfs/dbraw/zinc/12/35/39/1028123539.db2.gz AYFVJHLCOSFAQH-LGWHJFRWSA-N 1 3 326.440 3.506 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423013804 1028125331 /nfs/dbraw/zinc/12/53/31/1028125331.db2.gz GUUHMDIVMCXEHW-MJXNMMHHSA-N 1 3 345.874 3.683 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(c2ccccc2Cl)CC1 ZINC000423015946 1028128116 /nfs/dbraw/zinc/12/81/16/1028128116.db2.gz AQMBLBAQVFBVFW-HNAYVOBHSA-N 1 3 328.887 3.920 20 0 EHADHO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)cc1F ZINC000423116641 1028188800 /nfs/dbraw/zinc/18/88/00/1028188800.db2.gz QUOHBVPPXSQEGK-FRFSOERESA-N 1 3 343.446 3.593 20 0 EHADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423140873 1028226264 /nfs/dbraw/zinc/22/62/64/1028226264.db2.gz NGRHKISSHRCKGL-HJWJTTGWSA-N 1 3 337.305 3.945 20 0 EHADHO CC(C)[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(F)c(F)c1 ZINC000423184716 1028231387 /nfs/dbraw/zinc/23/13/87/1028231387.db2.gz IOHFFONPWJCQRA-IBGZPJMESA-N 1 3 333.426 3.826 20 0 EHADHO COC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423159902 1028235048 /nfs/dbraw/zinc/23/50/48/1028235048.db2.gz YSRDVAWHSRCWSH-BBRMVZONSA-N 1 3 347.890 3.583 20 0 EHADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423175818 1028245119 /nfs/dbraw/zinc/24/51/19/1028245119.db2.gz FGCQFLSQYWSVIK-CWVNLOTRSA-N 1 3 337.442 3.983 20 0 EHADHO CC[C@H](NCCC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423177147 1028248071 /nfs/dbraw/zinc/24/80/71/1028248071.db2.gz AKNPKSLKUIJZCR-LBPRGKRZSA-N 1 3 339.199 3.857 20 0 EHADHO NC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCCC1 ZINC000423209015 1028252527 /nfs/dbraw/zinc/25/25/27/1028252527.db2.gz ZLYNJUKSQOLUJC-APWZRJJASA-N 1 3 334.479 3.935 20 0 EHADHO C[C@H](N[C@@H]1CCCc2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423215878 1028282350 /nfs/dbraw/zinc/28/23/50/1028282350.db2.gz NSZAJWIZXZWONL-RVSPLBMKSA-N 1 3 337.305 3.804 20 0 EHADHO C[C@H](CN(C)[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730535 1028334281 /nfs/dbraw/zinc/33/42/81/1028334281.db2.gz DSWPKNOHRMZEGL-CJNGLKHVSA-N 1 3 325.294 3.627 20 0 EHADHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000423296409 1028352857 /nfs/dbraw/zinc/35/28/57/1028352857.db2.gz ZEAAHSNGHGIVKD-KBXCAEBGSA-N 1 3 326.440 3.718 20 0 EHADHO CCN(CC)[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccsc1 ZINC000423341989 1028375420 /nfs/dbraw/zinc/37/54/20/1028375420.db2.gz YSIDYYVWSRLULY-KBXCAEBGSA-N 1 3 345.512 3.581 20 0 EHADHO FC(F)(F)Oc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423389830 1028405658 /nfs/dbraw/zinc/40/56/58/1028405658.db2.gz OMLJMTSBEXJMPH-SFHVURJKSA-N 1 3 348.368 3.966 20 0 EHADHO Fc1ccc([C@H]2CCNC[C@H]2C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423479891 1028461776 /nfs/dbraw/zinc/46/17/76/1028461776.db2.gz VMGPATJVNGSTEA-QZOMQWOVSA-N 1 3 340.433 3.932 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000423533470 1028488306 /nfs/dbraw/zinc/48/83/06/1028488306.db2.gz TZRJZYFTRGLZTI-JBOLQRTASA-N 1 3 336.479 3.532 20 0 EHADHO COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195136066 1028583204 /nfs/dbraw/zinc/58/32/04/1028583204.db2.gz XOVBXAJVWRXETL-DOTOQJQBSA-N 1 3 330.497 3.929 20 0 EHADHO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000247192427 1028756326 /nfs/dbraw/zinc/75/63/26/1028756326.db2.gz QKJFKYXAYGMUGH-KZNAEPCWSA-N 1 3 343.515 3.525 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414776380 1028828898 /nfs/dbraw/zinc/82/88/98/1028828898.db2.gz HFJNDUJUKDBWRY-STQMWFEESA-N 1 3 343.334 3.641 20 0 EHADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000248172028 1028855284 /nfs/dbraw/zinc/85/52/84/1028855284.db2.gz UYBVQXMIHZDDCZ-WFXMLNOXSA-N 1 3 329.532 3.532 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414791279 1029098333 /nfs/dbraw/zinc/09/83/33/1029098333.db2.gz BDQPAUOPRZMDHB-RYRKJORJSA-N 1 3 331.504 3.634 20 0 EHADHO CS[C@@H]1CCCCN(CCC[N@@H+]2CCCC[C@@H](SC)C2)C1 ZINC000245723895 1029140751 /nfs/dbraw/zinc/14/07/51/1029140751.db2.gz BDXRZWJEGKIEFL-IAGOWNOFSA-N 1 3 330.607 3.812 20 0 EHADHO CS[C@@H]1CCCCN(CCC[N@H+]2CCCC[C@@H](SC)C2)C1 ZINC000245723895 1029140757 /nfs/dbraw/zinc/14/07/57/1029140757.db2.gz BDXRZWJEGKIEFL-IAGOWNOFSA-N 1 3 330.607 3.812 20 0 EHADHO COCc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000124399573 1029214755 /nfs/dbraw/zinc/21/47/55/1029214755.db2.gz GPJYWVYOLZNEDK-KRWDZBQOSA-N 1 3 342.483 3.624 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414806390 1029240194 /nfs/dbraw/zinc/24/01/94/1029240194.db2.gz QDHHIHVECSHYCN-FRFSOERESA-N 1 3 326.431 3.716 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000414807263 1029252105 /nfs/dbraw/zinc/25/21/05/1029252105.db2.gz IWDQKRCERATHJK-IIBYNOLFSA-N 1 3 340.467 3.554 20 0 EHADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC(C)C ZINC000414808916 1029280090 /nfs/dbraw/zinc/28/00/90/1029280090.db2.gz LLOBUQLYLNSOAE-OAHLLOKOSA-N 1 3 328.456 3.792 20 0 EHADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000414810478 1029294122 /nfs/dbraw/zinc/29/41/22/1029294122.db2.gz OFDOADOGTZGUAK-LBPRGKRZSA-N 1 3 336.382 3.606 20 0 EHADHO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272479746 1029476981 /nfs/dbraw/zinc/47/69/81/1029476981.db2.gz MCKGEHPOJZNKSI-SYYKKAFVSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272479746 1029476984 /nfs/dbraw/zinc/47/69/84/1029476984.db2.gz MCKGEHPOJZNKSI-SYYKKAFVSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479746 1029476990 /nfs/dbraw/zinc/47/69/90/1029476990.db2.gz MCKGEHPOJZNKSI-SYYKKAFVSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc2nccc(NCC3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000664283027 1029511310 /nfs/dbraw/zinc/51/13/10/1029511310.db2.gz MHHLZJGSWJZNHX-UHFFFAOYSA-N 1 3 346.478 3.684 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125821035 1029616623 /nfs/dbraw/zinc/61/66/23/1029616623.db2.gz UDGULMFSYHCEHA-SJLPKXTDSA-N 1 3 334.504 3.865 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)on1 ZINC000453219597 1029928755 /nfs/dbraw/zinc/92/87/55/1029928755.db2.gz WHDNWJAFXDNZTI-HBMCJLEFSA-N 1 3 339.483 3.558 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)on1 ZINC000453219597 1029928773 /nfs/dbraw/zinc/92/87/73/1029928773.db2.gz WHDNWJAFXDNZTI-HBMCJLEFSA-N 1 3 339.483 3.558 20 0 EHADHO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453275400 1030060793 /nfs/dbraw/zinc/06/07/93/1030060793.db2.gz LTKMFSJQQKAJES-NJDAHSKKSA-N 1 3 344.543 3.675 20 0 EHADHO CC[C@@H](C)Oc1cc(CNCc2ccccc2C[NH2+]C)ccc1OC ZINC000650718484 1030144900 /nfs/dbraw/zinc/14/49/00/1030144900.db2.gz OREACVDGZNXEHB-MRXNPFEDSA-N 1 3 342.483 3.882 20 0 EHADHO COCC(C)(C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772131 1030187967 /nfs/dbraw/zinc/18/79/67/1030187967.db2.gz KAKQVPOXNYTEBO-LJQANCHMSA-N 1 3 330.516 3.551 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(c2ccccc2F)CCC1 ZINC000650741117 1030461652 /nfs/dbraw/zinc/46/16/52/1030461652.db2.gz YFIXYAYOLBSWLQ-UZLBHIALSA-N 1 3 326.459 3.796 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000278398477 1030611617 /nfs/dbraw/zinc/61/16/17/1030611617.db2.gz GISHMDZYDCBAHI-QIJUGHKUSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000278398477 1030611631 /nfs/dbraw/zinc/61/16/31/1030611631.db2.gz GISHMDZYDCBAHI-QIJUGHKUSA-N 1 3 338.495 3.529 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000093792621 1030677348 /nfs/dbraw/zinc/67/73/48/1030677348.db2.gz BCXZNJHQJJLJFS-NRFANRHFSA-N 1 3 346.515 3.551 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000093792621 1030677354 /nfs/dbraw/zinc/67/73/54/1030677354.db2.gz BCXZNJHQJJLJFS-NRFANRHFSA-N 1 3 346.515 3.551 20 0 EHADHO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583776124 1030703094 /nfs/dbraw/zinc/70/30/94/1030703094.db2.gz QYNWENUSGLVBII-IRFCIJBXSA-N 1 3 331.548 3.750 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cccc3c2OCO3)CC1)CC1CC1 ZINC000536142491 1030920588 /nfs/dbraw/zinc/92/05/88/1030920588.db2.gz WXPSTXUXQRGZPN-UHFFFAOYSA-N 1 3 344.499 3.749 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cccc3c2OCO3)CC1)CC1CC1 ZINC000536142491 1030920600 /nfs/dbraw/zinc/92/06/00/1030920600.db2.gz WXPSTXUXQRGZPN-UHFFFAOYSA-N 1 3 344.499 3.749 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070575 1030939521 /nfs/dbraw/zinc/93/95/21/1030939521.db2.gz GLJVKHQDGFIVKB-MLGOLLRUSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070575 1030939535 /nfs/dbraw/zinc/93/95/35/1030939535.db2.gz GLJVKHQDGFIVKB-MLGOLLRUSA-N 1 3 343.284 3.893 20 0 EHADHO C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527967277 1031536561 /nfs/dbraw/zinc/53/65/61/1031536561.db2.gz XOJHWHBKGQDRBB-PXNSSMCTSA-N 1 3 348.494 3.574 20 0 EHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178039981 1031611363 /nfs/dbraw/zinc/61/13/63/1031611363.db2.gz ZICAKGABUHSWNN-CBGDNZLLSA-N 1 3 346.515 3.552 20 0 EHADHO CSc1ccccc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000194895507 1031644539 /nfs/dbraw/zinc/64/45/39/1031644539.db2.gz WMLTUTHJRSWEBG-HZPDHXFCSA-N 1 3 334.529 3.560 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000194895466 1031645076 /nfs/dbraw/zinc/64/50/76/1031645076.db2.gz WMLTUTHJRSWEBG-HOTGVXAUSA-N 1 3 334.529 3.560 20 0 EHADHO CC[NH+]1CCC(N[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657826042 1031673289 /nfs/dbraw/zinc/67/32/89/1031673289.db2.gz QNFFGMXYQRXKGJ-HNNXBMFYSA-N 1 3 342.483 3.992 20 0 EHADHO C[NH+](C)CCOc1cc(CN[C@H]2CC(C)(C)c3ccccc32)ccn1 ZINC000179509750 1031782321 /nfs/dbraw/zinc/78/23/21/1031782321.db2.gz DBKXNXXUSVUUFF-IBGZPJMESA-N 1 3 339.483 3.534 20 0 EHADHO Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013822 1031972214 /nfs/dbraw/zinc/97/22/14/1031972214.db2.gz ZEQYJHRZXRKCLY-RYUDHWBXSA-N 1 3 331.323 3.811 20 0 EHADHO Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013822 1031972228 /nfs/dbraw/zinc/97/22/28/1031972228.db2.gz ZEQYJHRZXRKCLY-RYUDHWBXSA-N 1 3 331.323 3.811 20 0 EHADHO CC(C)(C)[C@H](COc1ccccc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166586504 1032053502 /nfs/dbraw/zinc/05/35/02/1032053502.db2.gz RRMZJXDDBJWKCJ-FCEWJHQRSA-N 1 3 334.479 3.836 20 0 EHADHO CC(C)(C)[C@H](COc1ccccc1F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166586504 1032053516 /nfs/dbraw/zinc/05/35/16/1032053516.db2.gz RRMZJXDDBJWKCJ-FCEWJHQRSA-N 1 3 334.479 3.836 20 0 EHADHO Cc1ncccc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000898249743 1033407967 /nfs/dbraw/zinc/40/79/67/1033407967.db2.gz DLEDDKFNGTTYLH-NNWRFLSQSA-N 1 3 335.495 3.575 20 0 EHADHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621627 1033744485 /nfs/dbraw/zinc/74/44/85/1033744485.db2.gz MNCQOCZXMKAITA-BHIFYINESA-N 1 3 343.559 3.922 20 0 EHADHO CCc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000658165732 1034030135 /nfs/dbraw/zinc/03/01/35/1034030135.db2.gz LBCFGOLNLUZRBH-MRXNPFEDSA-N 1 3 327.472 3.800 20 0 EHADHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccc(OC(C)C)cc32)C1 ZINC000450362101 1034172703 /nfs/dbraw/zinc/17/27/03/1034172703.db2.gz QANXGGBKZJUNPQ-INIZCTEOSA-N 1 3 327.472 3.800 20 0 EHADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3ccc(OC(C)C)cc32)C1 ZINC000450362101 1034172713 /nfs/dbraw/zinc/17/27/13/1034172713.db2.gz QANXGGBKZJUNPQ-INIZCTEOSA-N 1 3 327.472 3.800 20 0 EHADHO CC[N@H+](C)C[C@H]1CCN(c2ccnc3ccc(OC(C)C)cc32)C1 ZINC000450362102 1034173720 /nfs/dbraw/zinc/17/37/20/1034173720.db2.gz QANXGGBKZJUNPQ-MRXNPFEDSA-N 1 3 327.472 3.800 20 0 EHADHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3ccc(OC(C)C)cc32)C1 ZINC000450362102 1034173730 /nfs/dbraw/zinc/17/37/30/1034173730.db2.gz QANXGGBKZJUNPQ-MRXNPFEDSA-N 1 3 327.472 3.800 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCC(F)(F)CC3)CC2)C1 ZINC000658321712 1034199057 /nfs/dbraw/zinc/19/90/57/1034199057.db2.gz BYJUKXCBJMWWBS-DOTOQJQBSA-N 1 3 344.490 3.560 20 0 EHADHO [NH3+]C1(Cc2ccccc2)CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417375 1034332629 /nfs/dbraw/zinc/33/26/29/1034332629.db2.gz PDGNLEBCXGBEAM-NRFANRHFSA-N 1 3 338.470 3.719 20 0 EHADHO [NH3+]C1(Cc2ccccc2)CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168417376 1034332806 /nfs/dbraw/zinc/33/28/06/1034332806.db2.gz PDGNLEBCXGBEAM-OAQYLSRUSA-N 1 3 338.470 3.719 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000340171781 1034366491 /nfs/dbraw/zinc/36/64/91/1034366491.db2.gz WLBYCIRFLCREJV-XUVXKRRUSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000340171781 1034366506 /nfs/dbraw/zinc/36/65/06/1034366506.db2.gz WLBYCIRFLCREJV-XUVXKRRUSA-N 1 3 343.540 3.776 20 0 EHADHO Cc1cccc(CCCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000375850689 1034719082 /nfs/dbraw/zinc/71/90/82/1034719082.db2.gz JRMFMAUJKZCNSC-UWJYYQICSA-N 1 3 329.532 3.955 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000414078957 1035454530 /nfs/dbraw/zinc/45/45/30/1035454530.db2.gz BNERDFLVKQTTRH-WFXMLNOXSA-N 1 3 348.531 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000414078957 1035454532 /nfs/dbraw/zinc/45/45/32/1035454532.db2.gz BNERDFLVKQTTRH-WFXMLNOXSA-N 1 3 348.531 3.791 20 0 EHADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cc2n(n1)CCC2 ZINC000414111838 1035555318 /nfs/dbraw/zinc/55/53/18/1035555318.db2.gz XMRXYHOAAPXUMZ-AOCRQIFASA-N 1 3 330.520 3.523 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136038 1035703328 /nfs/dbraw/zinc/70/33/28/1035703328.db2.gz HPHPKARTABPLTP-IEBWSBKVSA-N 1 3 349.950 3.592 20 0 EHADHO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)ccn1 ZINC000623573688 1035873575 /nfs/dbraw/zinc/87/35/75/1035873575.db2.gz RKPJABVSARPHJF-OAQYLSRUSA-N 1 3 335.495 3.782 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Br ZINC000414171279 1035874956 /nfs/dbraw/zinc/87/49/56/1035874956.db2.gz DBXMHRUHRNVYLF-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171279 1035874980 /nfs/dbraw/zinc/87/49/80/1035874980.db2.gz DBXMHRUHRNVYLF-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000588755041 1036025059 /nfs/dbraw/zinc/02/50/59/1036025059.db2.gz LVEGGVKKIVUSCX-SVMVAKDDSA-N 1 3 342.527 3.885 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415636 1036082372 /nfs/dbraw/zinc/08/23/72/1036082372.db2.gz AEXXWTULAQJHFG-YLJYHZDGSA-N 1 3 343.902 3.950 20 0 EHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(=O)OC)c1 ZINC000589196285 1036303686 /nfs/dbraw/zinc/30/36/86/1036303686.db2.gz NTATVSAEFXVLKI-UHFFFAOYSA-N 1 3 340.467 3.557 20 0 EHADHO CC1CCN([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000192596603 1036534225 /nfs/dbraw/zinc/53/42/25/1036534225.db2.gz DTUKPOZTXIVEMY-XVLXNVKGSA-N 1 3 347.572 3.736 20 0 EHADHO CC1CCN([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000192596603 1036534236 /nfs/dbraw/zinc/53/42/36/1036534236.db2.gz DTUKPOZTXIVEMY-XVLXNVKGSA-N 1 3 347.572 3.736 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000180691076 1037097580 /nfs/dbraw/zinc/09/75/80/1037097580.db2.gz DLMSJVDSZMPPMM-MRXNPFEDSA-N 1 3 344.421 3.591 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CC3 ZINC000493275598 1037192852 /nfs/dbraw/zinc/19/28/52/1037192852.db2.gz ACQKWPSDWYSRKX-BBWFWOEESA-N 1 3 325.500 3.796 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838564 1037244856 /nfs/dbraw/zinc/24/48/56/1037244856.db2.gz XDKOJONHRVNXJB-PBHICJAKSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838564 1037244866 /nfs/dbraw/zinc/24/48/66/1037244866.db2.gz XDKOJONHRVNXJB-PBHICJAKSA-N 1 3 339.321 3.920 20 0 EHADHO CN(Cc1ccc(Br)cc1Cl)C1CCC([NH3+])CC1 ZINC000157335503 1037421623 /nfs/dbraw/zinc/42/16/23/1037421623.db2.gz SKZYSXWZCJYCJC-UHFFFAOYSA-N 1 3 331.685 3.804 20 0 EHADHO COc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)c(C(F)(F)F)c1 ZINC001143479553 1037426606 /nfs/dbraw/zinc/42/66/06/1037426606.db2.gz ZEYSEUKDHORVRQ-UHFFFAOYSA-N 1 3 342.405 3.632 20 0 EHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000532504333 1037531037 /nfs/dbraw/zinc/53/10/37/1037531037.db2.gz FOBMPWQPUQSITA-KXBFYZLASA-N 1 3 334.504 3.865 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000493917578 1037709962 /nfs/dbraw/zinc/70/99/62/1037709962.db2.gz SGQGFGASVMHZAK-APHBMKBZSA-N 1 3 337.305 3.817 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000493917578 1037709977 /nfs/dbraw/zinc/70/99/77/1037709977.db2.gz SGQGFGASVMHZAK-APHBMKBZSA-N 1 3 337.305 3.817 20 0 EHADHO C[C@H]1C[C@H](NCCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082402 1037726858 /nfs/dbraw/zinc/72/68/58/1037726858.db2.gz NGTGRRDGJPABBZ-FXAWDEMLSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]1C[C@H](NCCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082402 1037726875 /nfs/dbraw/zinc/72/68/75/1037726875.db2.gz NGTGRRDGJPABBZ-FXAWDEMLSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000540593235 1038123659 /nfs/dbraw/zinc/12/36/59/1038123659.db2.gz AVZQEWBBRQDKTB-HNNXBMFYSA-N 1 3 338.451 3.693 20 0 EHADHO C[C@H]1C[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000125165296 1038285371 /nfs/dbraw/zinc/28/53/71/1038285371.db2.gz VCHAIUZPCXIZEM-FXAWDEMLSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@H]1C[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000125165296 1038285382 /nfs/dbraw/zinc/28/53/82/1038285382.db2.gz VCHAIUZPCXIZEM-FXAWDEMLSA-N 1 3 348.494 3.657 20 0 EHADHO CCN(CC)[C@@H](CNC1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000236840116 1038837241 /nfs/dbraw/zinc/83/72/41/1038837241.db2.gz OOPFEKJABTUHOZ-NRFANRHFSA-N 1 3 347.547 3.541 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)c(C)c1 ZINC000477937676 1039043200 /nfs/dbraw/zinc/04/32/00/1039043200.db2.gz MMSUOXHXAOEJPX-GOSISDBHSA-N 1 3 345.531 3.732 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(C)c1 ZINC000477937676 1039043220 /nfs/dbraw/zinc/04/32/20/1039043220.db2.gz MMSUOXHXAOEJPX-GOSISDBHSA-N 1 3 345.531 3.732 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000480749528 1039971210 /nfs/dbraw/zinc/97/12/10/1039971210.db2.gz OQENWDUSTNXWJC-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000480749528 1039971233 /nfs/dbraw/zinc/97/12/33/1039971233.db2.gz OQENWDUSTNXWJC-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO CN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@H]1c1ccc(Cl)cc1 ZINC000554949250 1039975399 /nfs/dbraw/zinc/97/53/99/1039975399.db2.gz FZLUDEZTNSKXLE-CEXWTWQISA-N 1 3 335.923 3.549 20 0 EHADHO CSC1(CN[C@@H](C)c2ccc(F)cc2Cl)CC[NH+](C)CC1 ZINC000554997743 1040038110 /nfs/dbraw/zinc/03/81/10/1040038110.db2.gz BPLUMLHNFMPRLH-LBPRGKRZSA-N 1 3 330.900 3.957 20 0 EHADHO Cc1cc2[nH]c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)cc2c(C)c1 ZINC000479369396 1040172502 /nfs/dbraw/zinc/17/25/02/1040172502.db2.gz YGHVSNGTAOJWDW-HDICACEKSA-N 1 3 343.515 3.764 20 0 EHADHO CC[C@H](CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000512663214 1040426187 /nfs/dbraw/zinc/42/61/87/1040426187.db2.gz IFDZNJSXQLJNLW-NJDAHSKKSA-N 1 3 343.559 3.671 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294181 1040618585 /nfs/dbraw/zinc/61/85/85/1040618585.db2.gz KBNJGZBTLSSNQV-HHXXYDBFSA-N 1 3 334.479 3.792 20 0 EHADHO CC1CC[NH+](CCCCNCc2conc2Cc2ccccc2)CC1 ZINC000555524539 1040727703 /nfs/dbraw/zinc/72/77/03/1040727703.db2.gz NGGUMJMSYJOZIL-UHFFFAOYSA-N 1 3 341.499 3.867 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC/C=C/c2ccncc2)[C@H]1c1cccs1 ZINC000487265501 1040852711 /nfs/dbraw/zinc/85/27/11/1040852711.db2.gz HKHJTDFSQQVXQX-KVERVOQPSA-N 1 3 327.497 3.829 20 0 EHADHO C[N@H+]1CCC[C@H](CNC/C=C/c2ccncc2)[C@H]1c1cccs1 ZINC000487265501 1040852725 /nfs/dbraw/zinc/85/27/25/1040852725.db2.gz HKHJTDFSQQVXQX-KVERVOQPSA-N 1 3 327.497 3.829 20 0 EHADHO CC(C)CCC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555612588 1040913743 /nfs/dbraw/zinc/91/37/43/1040913743.db2.gz VDPXJHGJACLCBB-OAQYLSRUSA-N 1 3 344.543 3.941 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccc(N)c3)C2)s1 ZINC000660496708 1041576367 /nfs/dbraw/zinc/57/63/67/1041576367.db2.gz JPRQONRYEHBHBG-QGZVFWFLSA-N 1 3 329.513 3.593 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccc(N)c3)C2)s1 ZINC000660496708 1041576372 /nfs/dbraw/zinc/57/63/72/1041576372.db2.gz JPRQONRYEHBHBG-QGZVFWFLSA-N 1 3 329.513 3.593 20 0 EHADHO Fc1ccc(SCCN2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000662275064 1042651098 /nfs/dbraw/zinc/65/10/98/1042651098.db2.gz QUNYGLWKZSUGHW-INIZCTEOSA-N 1 3 326.456 3.521 20 0 EHADHO CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313455 1042683285 /nfs/dbraw/zinc/68/32/85/1042683285.db2.gz PMKKXRGMKSHCDO-VQIMIIECSA-N 1 3 345.531 3.589 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663471814 1042902270 /nfs/dbraw/zinc/90/22/70/1042902270.db2.gz YMCMXKSBYNTTIP-FUHWJXTLSA-N 1 3 340.515 3.596 20 0 EHADHO CO[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000643467520 1042941469 /nfs/dbraw/zinc/94/14/69/1042941469.db2.gz PEQAQACQNBECSY-KZULUSFZSA-N 1 3 333.863 3.540 20 0 EHADHO Cc1ccc2nc(C[NH+]3CCC(c4ncc5n4CCCC5)CC3)cn2c1 ZINC000278930095 1042979747 /nfs/dbraw/zinc/97/97/47/1042979747.db2.gz SPCASEJCGDQRLD-UHFFFAOYSA-N 1 3 349.482 3.555 20 0 EHADHO Cc1cc2c(cc1C)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432414711 1043130404 /nfs/dbraw/zinc/13/04/04/1043130404.db2.gz AMNAMTYRGDDUKD-MJGOQNOKSA-N 1 3 348.556 3.931 20 0 EHADHO Cc1cc2c(cc1C)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432414711 1043130411 /nfs/dbraw/zinc/13/04/11/1043130411.db2.gz AMNAMTYRGDDUKD-MJGOQNOKSA-N 1 3 348.556 3.931 20 0 EHADHO CC(C)[C@@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000279582064 1044251838 /nfs/dbraw/zinc/25/18/38/1044251838.db2.gz GWJLEJORHQBUGW-FGZHOGPDSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)[C@@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000279582064 1044251846 /nfs/dbraw/zinc/25/18/46/1044251846.db2.gz GWJLEJORHQBUGW-FGZHOGPDSA-N 1 3 343.559 3.528 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000122978695 1044603672 /nfs/dbraw/zinc/60/36/72/1044603672.db2.gz AXAFIHFIDYLLCH-INIZCTEOSA-N 1 3 334.504 3.757 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000174628637 1126857294 /nfs/dbraw/zinc/85/72/94/1126857294.db2.gz FUKKSSNHYKOZQO-WMZOPIPTSA-N 1 3 334.504 3.694 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccc1Br ZINC000623546909 1126978413 /nfs/dbraw/zinc/97/84/13/1126978413.db2.gz ZMTWSLILMWKLDW-CQSZACIVSA-N 1 3 325.294 3.720 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000180790190 1127187343 /nfs/dbraw/zinc/18/73/43/1127187343.db2.gz BRPPNDCQZFRQTL-UHFFFAOYSA-N 1 3 334.552 3.972 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121377 1127256548 /nfs/dbraw/zinc/25/65/48/1127256548.db2.gz UXGZBUFBLBRTHV-IAGOWNOFSA-N 1 3 346.519 3.599 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120342 1127255800 /nfs/dbraw/zinc/25/58/00/1127255800.db2.gz WPJFGJUHRKWASH-WBVHZDCISA-N 1 3 340.458 3.931 20 0 EHADHO C[C@H](NCc1cc(F)c(Br)cc1F)C1CC[NH+](C)CC1 ZINC000624160268 1127261525 /nfs/dbraw/zinc/26/15/25/1127261525.db2.gz LTEXCUKLYNINQF-JTQLQIEISA-N 1 3 347.247 3.547 20 0 EHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000031230893 1127831394 /nfs/dbraw/zinc/83/13/94/1127831394.db2.gz IFASMMKQSZYAMM-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO COc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000903066400 1128454933 /nfs/dbraw/zinc/45/49/33/1128454933.db2.gz MDYXEZMDZIPCES-BBRMVZONSA-N 1 3 334.891 3.800 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000542689304 1128538623 /nfs/dbraw/zinc/53/86/23/1128538623.db2.gz XFFDTQLERHGZTH-IBGZPJMESA-N 1 3 335.580 3.552 20 0 EHADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000475279006 1128711856 /nfs/dbraw/zinc/71/18/56/1128711856.db2.gz IRXYJLNEWCAIQT-AKIFATBCSA-N 1 3 349.522 3.823 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000191455096 1120674911 /nfs/dbraw/zinc/67/49/11/1120674911.db2.gz OTCGTLRGNHOEGB-KRWDZBQOSA-N 1 3 337.939 3.749 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000191455096 1120674912 /nfs/dbraw/zinc/67/49/12/1120674912.db2.gz OTCGTLRGNHOEGB-KRWDZBQOSA-N 1 3 337.939 3.749 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000191551896 1120677503 /nfs/dbraw/zinc/67/75/03/1120677503.db2.gz DLRYVUWBYSIIJF-UHFFFAOYSA-N 1 3 331.548 3.703 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC000191551896 1120677505 /nfs/dbraw/zinc/67/75/05/1120677505.db2.gz DLRYVUWBYSIIJF-UHFFFAOYSA-N 1 3 331.548 3.703 20 0 EHADHO Fc1cc([C@@H]2OCC[C@H]2[NH2+]CCCN2CCCCC2)ccc1Cl ZINC000192074548 1120711357 /nfs/dbraw/zinc/71/13/57/1120711357.db2.gz XKIZOMBXPTYSNO-MSOLQXFVSA-N 1 3 340.870 3.775 20 0 EHADHO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750417 1120747102 /nfs/dbraw/zinc/74/71/02/1120747102.db2.gz CQBPPCMWSIPBMU-QUCCMNQESA-N 1 3 347.547 3.777 20 0 EHADHO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750417 1120747106 /nfs/dbraw/zinc/74/71/06/1120747106.db2.gz CQBPPCMWSIPBMU-QUCCMNQESA-N 1 3 347.547 3.777 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1CN1CCCCC1 ZINC000762650818 1121398585 /nfs/dbraw/zinc/39/85/85/1121398585.db2.gz SFYMGNJTGCSZPJ-FUHIMQAGSA-N 1 3 346.515 3.757 20 0 EHADHO CCOc1cc(CNCc2ccc(C[NH+](CC)CC)cc2)ccc1O ZINC000326668620 1121974106 /nfs/dbraw/zinc/97/41/06/1121974106.db2.gz IFVGBIQQFPGKJG-UHFFFAOYSA-N 1 3 342.483 3.923 20 0 EHADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1OC ZINC000916833564 1122361957 /nfs/dbraw/zinc/36/19/57/1122361957.db2.gz TZHKEHSDUNDAIJ-FQEVSTJZSA-N 1 3 342.483 3.877 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128985418 1122709894 /nfs/dbraw/zinc/70/98/94/1122709894.db2.gz BEQSJPQQMQQBQC-UYAOXDASSA-N 1 3 348.531 3.700 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000556232886 1122885640 /nfs/dbraw/zinc/88/56/40/1122885640.db2.gz LMJHSCISTKLELV-QCFAMHMHSA-N 1 3 342.527 3.549 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000556921978 1123211148 /nfs/dbraw/zinc/21/11/48/1123211148.db2.gz ZSOZIEDFBZPYLR-PWIZWCRZSA-N 1 3 344.499 3.632 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000556921978 1123211152 /nfs/dbraw/zinc/21/11/52/1123211152.db2.gz ZSOZIEDFBZPYLR-PWIZWCRZSA-N 1 3 344.499 3.632 20 0 EHADHO CCC(CC)[C@@H](CNC1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000132303196 1123216785 /nfs/dbraw/zinc/21/67/85/1123216785.db2.gz LDFPGOFWMFAZTH-QGZVFWFLSA-N 1 3 349.485 3.503 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153868 1123253840 /nfs/dbraw/zinc/25/38/40/1123253840.db2.gz BACJHZAOQMQGBK-YUMYIRISSA-N 1 3 348.490 3.775 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153868 1123253843 /nfs/dbraw/zinc/25/38/43/1123253843.db2.gz BACJHZAOQMQGBK-YUMYIRISSA-N 1 3 348.490 3.775 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000245538593 1123869858 /nfs/dbraw/zinc/86/98/58/1123869858.db2.gz JGFJWHABVDIZEZ-WIYYLYMNSA-N 1 3 330.516 3.726 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC2(OC)CCC2)cc1CN1CCCCC1 ZINC000180193105 1123959998 /nfs/dbraw/zinc/95/99/98/1123959998.db2.gz MDSIORRAGZKNQN-QGZVFWFLSA-N 1 3 346.515 3.901 20 0 EHADHO CCOCCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182178224 1125200855 /nfs/dbraw/zinc/20/08/55/1125200855.db2.gz ZBEDEWQFMKJUBZ-QGZVFWFLSA-N 1 3 334.504 3.758 20 0 EHADHO COCCCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182455119 1125297254 /nfs/dbraw/zinc/29/72/54/1125297254.db2.gz WHZHHMUMPDYKGU-QGZVFWFLSA-N 1 3 334.504 3.758 20 0 EHADHO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182734039 1125362893 /nfs/dbraw/zinc/36/28/93/1125362893.db2.gz UTGBSLLBXWGIAI-IRXDYDNUSA-N 1 3 334.504 3.757 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000543106049 1129234362 /nfs/dbraw/zinc/23/43/62/1129234362.db2.gz ZMFXSJAMLDQIEF-UHFFFAOYSA-N 1 3 342.531 3.977 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000067667121 1129295724 /nfs/dbraw/zinc/29/57/24/1129295724.db2.gz QXZTVVSBQYDSJE-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CCCC1 ZINC000499908563 1129565358 /nfs/dbraw/zinc/56/53/58/1129565358.db2.gz JJRRWCJWBILDAJ-AWEZNQCLSA-N 1 3 325.294 3.928 20 0 EHADHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000499908563 1129565361 /nfs/dbraw/zinc/56/53/61/1129565361.db2.gz JJRRWCJWBILDAJ-AWEZNQCLSA-N 1 3 325.294 3.928 20 0 EHADHO CC1([NH+]2CCC2)CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000922844303 1129686962 /nfs/dbraw/zinc/68/69/62/1129686962.db2.gz BYYNZYSOOOUEGO-UHFFFAOYSA-N 1 3 328.287 3.885 20 0 EHADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436816 1129712129 /nfs/dbraw/zinc/71/21/29/1129712129.db2.gz JMBYTPBKYHMVNP-AVRDEDQJSA-N 1 3 338.470 3.967 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885047 1131554243 /nfs/dbraw/zinc/55/42/43/1131554243.db2.gz YKHBLPNOHOJNAH-MAUKXSAKSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885047 1131554249 /nfs/dbraw/zinc/55/42/49/1131554249.db2.gz YKHBLPNOHOJNAH-MAUKXSAKSA-N 1 3 342.483 3.714 20 0 EHADHO CCCOC1CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001173100561 1131965276 /nfs/dbraw/zinc/96/52/76/1131965276.db2.gz MFEKLPMHTOKXOJ-UHFFFAOYSA-N 1 3 326.500 3.623 20 0 EHADHO C[C@H]([NH2+]C[C@@H](CN(C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064940 1132649935 /nfs/dbraw/zinc/64/99/35/1132649935.db2.gz CQABOKGHXZJDFV-AVRDEDQJSA-N 1 3 348.494 3.976 20 0 EHADHO CN1CC[C@@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444650 1132672505 /nfs/dbraw/zinc/67/25/05/1132672505.db2.gz LTNZAFYXFNWIQN-YLJYHZDGSA-N 1 3 330.516 3.779 20 0 EHADHO CN1CC[C@@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444650 1132672509 /nfs/dbraw/zinc/67/25/09/1132672509.db2.gz LTNZAFYXFNWIQN-YLJYHZDGSA-N 1 3 330.516 3.779 20 0 EHADHO CN(CCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169163467 1132684915 /nfs/dbraw/zinc/68/49/15/1132684915.db2.gz ZQQMRUJBLUBOGM-BJWYYQGGSA-N 1 3 326.406 3.805 20 0 EHADHO CN(CCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169163467 1132684917 /nfs/dbraw/zinc/68/49/17/1132684917.db2.gz ZQQMRUJBLUBOGM-BJWYYQGGSA-N 1 3 326.406 3.805 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206012464 1132777482 /nfs/dbraw/zinc/77/74/82/1132777482.db2.gz LVLWUSPGZUMDFY-CHWSQXEVSA-N 1 3 343.284 3.703 20 0 EHADHO CC(C)P(CCNC(=O)CC[N@H+](C)Cc1ccccc1)C(C)C ZINC001181141058 1133458867 /nfs/dbraw/zinc/45/88/67/1133458867.db2.gz DYKLDLBZZQKORX-UHFFFAOYSA-N 1 3 336.460 3.923 20 0 EHADHO CC(C)P(CCNC(=O)CC[N@@H+](C)Cc1ccccc1)C(C)C ZINC001181141058 1133458871 /nfs/dbraw/zinc/45/88/71/1133458871.db2.gz DYKLDLBZZQKORX-UHFFFAOYSA-N 1 3 336.460 3.923 20 0 EHADHO CC[N@H+](CCC1CCN(C[C@H](O)c2ccccc2F)CC1)CC1CC1 ZINC000771474766 1133559733 /nfs/dbraw/zinc/55/97/33/1133559733.db2.gz GEVSPFUSKGGNGD-NRFANRHFSA-N 1 3 348.506 3.693 20 0 EHADHO CC[N@@H+](CCC1CCN(C[C@H](O)c2ccccc2F)CC1)CC1CC1 ZINC000771474766 1133559737 /nfs/dbraw/zinc/55/97/37/1133559737.db2.gz GEVSPFUSKGGNGD-NRFANRHFSA-N 1 3 348.506 3.693 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)C)cc1CN1CCCCC1 ZINC000775396154 1134720204 /nfs/dbraw/zinc/72/02/04/1134720204.db2.gz YTNGDMZJPDVOLH-YLJYHZDGSA-N 1 3 348.531 3.739 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626683 1135352025 /nfs/dbraw/zinc/35/20/25/1135352025.db2.gz DFZKDXAMSBZXIQ-RVHYNSKXSA-N 1 3 341.499 3.586 20 0 EHADHO c1ccc2cc(CC[N@@H+]3CCCN(c4ccncc4)CC3)ccc2c1 ZINC001195535424 1135437268 /nfs/dbraw/zinc/43/72/68/1135437268.db2.gz JMBXXHKMVHEPGI-UHFFFAOYSA-N 1 3 331.463 3.990 20 0 EHADHO c1ccc2cc(CC[N@H+]3CCCN(c4ccncc4)CC3)ccc2c1 ZINC001195535424 1135437271 /nfs/dbraw/zinc/43/72/71/1135437271.db2.gz JMBXXHKMVHEPGI-UHFFFAOYSA-N 1 3 331.463 3.990 20 0 EHADHO CC1(N2CCC2)CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC001197263854 1135667380 /nfs/dbraw/zinc/66/73/80/1135667380.db2.gz DLSUDCMKNZSIJT-UHFFFAOYSA-N 1 3 331.891 3.855 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2c(C)cc(OC)nc2C)cc1 ZINC001199028298 1135877838 /nfs/dbraw/zinc/87/78/38/1135877838.db2.gz SWZQNKHBOGDPTN-UHFFFAOYSA-N 1 3 341.499 3.839 20 0 EHADHO CN(Cc1cn(C)nc1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739173 1135883089 /nfs/dbraw/zinc/88/30/89/1135883089.db2.gz ZXOVEMJJIBYKDE-UHFFFAOYSA-N 1 3 348.494 3.781 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1CN1CCCCC1 ZINC000810256518 1135949177 /nfs/dbraw/zinc/94/91/77/1135949177.db2.gz BGFKZTMRETYWPE-ZACQAIPSSA-N 1 3 334.504 3.755 20 0 EHADHO Cc1ccc(CN2C[C@@H]3C[NH+](CCCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202394831 1136141907 /nfs/dbraw/zinc/14/19/07/1136141907.db2.gz JZWHRBZVKCQHHZ-IRXDYDNUSA-N 1 3 326.406 3.701 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000815596779 1136616950 /nfs/dbraw/zinc/61/69/50/1136616950.db2.gz DSAUIAJMDMGRON-BEVDRBHNSA-N 1 3 334.479 3.553 20 0 EHADHO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1)C(C)(C)O ZINC000815652294 1136626893 /nfs/dbraw/zinc/62/68/93/1136626893.db2.gz WPQCODINUZEHMT-BEFAXECRSA-N 1 3 336.520 3.737 20 0 EHADHO CC/C=C/CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604833 1136798157 /nfs/dbraw/zinc/79/81/57/1136798157.db2.gz RWLXHAMWUPUEIN-YJJPMGAVSA-N 1 3 331.504 3.731 20 0 EHADHO CC/C=C/CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604833 1136798159 /nfs/dbraw/zinc/79/81/59/1136798159.db2.gz RWLXHAMWUPUEIN-YJJPMGAVSA-N 1 3 331.504 3.731 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCCC3)C2)ccn1 ZINC000856600042 1136798248 /nfs/dbraw/zinc/79/82/48/1136798248.db2.gz PYICGJZTGVEFIK-NRFANRHFSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CCCC3)C2)ccn1 ZINC000856600042 1136798252 /nfs/dbraw/zinc/79/82/52/1136798252.db2.gz PYICGJZTGVEFIK-NRFANRHFSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC3CCC3)C2)ccn1 ZINC000856605707 1136799039 /nfs/dbraw/zinc/79/90/39/1136799039.db2.gz DOJIQENWZQGEHF-FQEVSTJZSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC3CCC3)C2)ccn1 ZINC000856605707 1136799041 /nfs/dbraw/zinc/79/90/41/1136799041.db2.gz DOJIQENWZQGEHF-FQEVSTJZSA-N 1 3 331.504 3.565 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000817894696 1136844059 /nfs/dbraw/zinc/84/40/59/1136844059.db2.gz PZAFFOGGAVYDQV-IIBYNOLFSA-N 1 3 339.483 3.667 20 0 EHADHO CCOc1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1OCC ZINC000817947006 1136850340 /nfs/dbraw/zinc/85/03/40/1136850340.db2.gz JJYJJVWAWZICTG-MRXNPFEDSA-N 1 3 342.483 3.836 20 0 EHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817949627 1136850377 /nfs/dbraw/zinc/85/03/77/1136850377.db2.gz SOUHHDDRKLUSNA-LLVKDONJSA-N 1 3 338.282 3.928 20 0 EHADHO CC(C)c1cc(OCc2ccccc2)ccc1N[C@@H](N)CCC[NH3+] ZINC001170902863 1136874432 /nfs/dbraw/zinc/87/44/32/1136874432.db2.gz GHJJRVOEDYYNGZ-HXUWFJFHSA-N 1 3 327.472 3.825 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000818982445 1136896407 /nfs/dbraw/zinc/89/64/07/1136896407.db2.gz MLMAQIXZABZNKC-IRLDBZIGSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982445 1136896410 /nfs/dbraw/zinc/89/64/10/1136896410.db2.gz MLMAQIXZABZNKC-IRLDBZIGSA-N 1 3 338.495 3.530 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@H]2CCC[C@H]21 ZINC000858537027 1136976961 /nfs/dbraw/zinc/97/69/61/1136976961.db2.gz ARCVHAWTFDBALM-IXDOHACOSA-N 1 3 333.426 3.999 20 0 EHADHO C[N@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@H]2CCC[C@H]21 ZINC000858537027 1136976964 /nfs/dbraw/zinc/97/69/64/1136976964.db2.gz ARCVHAWTFDBALM-IXDOHACOSA-N 1 3 333.426 3.999 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Br)cc2)C[C@H](C)N1 ZINC001246079647 1136993710 /nfs/dbraw/zinc/99/37/10/1136993710.db2.gz DNTZPHAVLZAUQK-YWVIFJGQSA-N 1 3 325.294 3.500 20 0 EHADHO CC(C)(CO)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820820985 1137005978 /nfs/dbraw/zinc/00/59/78/1137005978.db2.gz CCIGBVINDAOGGS-KRIYCRJKSA-N 1 3 342.527 3.536 20 0 EHADHO CC(C)(CO)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820820985 1137005979 /nfs/dbraw/zinc/00/59/79/1137005979.db2.gz CCIGBVINDAOGGS-KRIYCRJKSA-N 1 3 342.527 3.536 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664622 1137068785 /nfs/dbraw/zinc/06/87/85/1137068785.db2.gz UXZHLQJJFGUSCJ-SUYBPPKGSA-N 1 3 345.314 3.831 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664622 1137068787 /nfs/dbraw/zinc/06/87/87/1137068787.db2.gz UXZHLQJJFGUSCJ-SUYBPPKGSA-N 1 3 345.314 3.831 20 0 EHADHO Fc1c(CNC2CCC([NH+]3CCCCC3)CC2)ccnc1Cl ZINC000823966666 1137119660 /nfs/dbraw/zinc/11/96/60/1137119660.db2.gz YPIFFNNUVZTRME-UHFFFAOYSA-N 1 3 325.859 3.761 20 0 EHADHO Cc1c(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862284579 1137136988 /nfs/dbraw/zinc/13/69/88/1137136988.db2.gz KHZLESIYPPTKSG-IGOJGBNBSA-N 1 3 341.474 3.775 20 0 EHADHO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246346297 1137149932 /nfs/dbraw/zinc/14/99/32/1137149932.db2.gz IRURASSWNHFDNA-OCCSQVGLSA-N 1 3 325.294 3.500 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246346297 1137149934 /nfs/dbraw/zinc/14/99/34/1137149934.db2.gz IRURASSWNHFDNA-OCCSQVGLSA-N 1 3 325.294 3.500 20 0 EHADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066024 1137152062 /nfs/dbraw/zinc/15/20/62/1137152062.db2.gz FRWWDIZBYMXRHA-LSDHHAIUSA-N 1 3 327.299 3.925 20 0 EHADHO Clc1cncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001136996467 1137168336 /nfs/dbraw/zinc/16/83/36/1137168336.db2.gz JXPMPCXNRHPKSI-UHFFFAOYSA-N 1 3 341.886 3.833 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2cn(C3CC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000865510013 1137290156 /nfs/dbraw/zinc/29/01/56/1137290156.db2.gz RCIQZYSRWAMDSE-IEBWSBKVSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510013 1137290158 /nfs/dbraw/zinc/29/01/58/1137290158.db2.gz RCIQZYSRWAMDSE-IEBWSBKVSA-N 1 3 338.499 3.608 20 0 EHADHO CCn1nc(CNCCC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000865717185 1137306348 /nfs/dbraw/zinc/30/63/48/1137306348.db2.gz RNURNCBAGONBQH-UHFFFAOYSA-N 1 3 328.504 3.656 20 0 EHADHO Cc1cccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000866390162 1137351097 /nfs/dbraw/zinc/35/10/97/1137351097.db2.gz ZURQXKUTDMYPQH-LJQANCHMSA-N 1 3 337.511 3.823 20 0 EHADHO C[C@@H]1C[C@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000866470639 1137357415 /nfs/dbraw/zinc/35/74/15/1137357415.db2.gz WOHCSLBAJSGANS-XLIONFOSSA-N 1 3 338.499 3.781 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)C1 ZINC000866509900 1137359853 /nfs/dbraw/zinc/35/98/53/1137359853.db2.gz GCRQROAPSRVBAC-GKBFQHABSA-N 1 3 334.548 3.824 20 0 EHADHO CC(C)(C)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716729010 1137488671 /nfs/dbraw/zinc/48/86/71/1137488671.db2.gz RGZGVMUHELQWRY-UFYCRDLUSA-N 1 3 330.516 3.834 20 0 EHADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(Cc3ccc(F)cc3)C2)CC1(C)C ZINC001171625082 1137501289 /nfs/dbraw/zinc/50/12/89/1137501289.db2.gz BBRNAIRIOIEVKA-GOSISDBHSA-N 1 3 347.522 3.641 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637471 1137504387 /nfs/dbraw/zinc/50/43/87/1137504387.db2.gz OQEJWZGJHQFAGA-OAHLLOKOSA-N 1 3 338.536 3.692 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637471 1137504389 /nfs/dbraw/zinc/50/43/89/1137504389.db2.gz OQEJWZGJHQFAGA-OAHLLOKOSA-N 1 3 338.536 3.692 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637471 1137504390 /nfs/dbraw/zinc/50/43/90/1137504390.db2.gz OQEJWZGJHQFAGA-OAHLLOKOSA-N 1 3 338.536 3.692 20 0 EHADHO CCCc1noc(C2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)n1 ZINC001171641408 1137504671 /nfs/dbraw/zinc/50/46/71/1137504671.db2.gz GMFCHLXAMLVUNE-UHFFFAOYSA-N 1 3 348.535 3.853 20 0 EHADHO c1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)s1 ZINC001172061014 1137528591 /nfs/dbraw/zinc/52/85/91/1137528591.db2.gz DXXWORNBVSSNAO-BCDXTJNWSA-N 1 3 327.497 3.818 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C2 ZINC001172102261 1137536357 /nfs/dbraw/zinc/53/63/57/1137536357.db2.gz LMZMYWMLRVCNSY-QKDCVEJESA-N 1 3 330.369 3.949 20 0 EHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172337613 1137551794 /nfs/dbraw/zinc/55/17/94/1137551794.db2.gz WYGIHPQYYBQNPT-DLBZAZTESA-N 1 3 336.495 3.755 20 0 EHADHO COc1ccc(CC2(N)CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC001172371001 1137555367 /nfs/dbraw/zinc/55/53/67/1137555367.db2.gz SJHRZUSMGAQAJE-JENIJYKNSA-N 1 3 330.516 3.856 20 0 EHADHO [NH3+][C@H]1C[C@@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000873252038 1137595462 /nfs/dbraw/zinc/59/54/62/1137595462.db2.gz OWUNIBXYGWJRIO-QIIPPGSGSA-N 1 3 345.284 3.865 20 0 EHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000125882805 1137649544 /nfs/dbraw/zinc/64/95/44/1137649544.db2.gz QRRAYNPGXURMOI-MAUKXSAKSA-N 1 3 347.503 3.660 20 0 EHADHO Nc1c(Cl)cccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000876900841 1137665003 /nfs/dbraw/zinc/66/50/03/1137665003.db2.gz SAPQROHFYOXUGJ-UHFFFAOYSA-N 1 3 329.875 3.808 20 0 EHADHO CN1CC[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573713 1137751627 /nfs/dbraw/zinc/75/16/27/1137751627.db2.gz QAMCEQONTCRNMF-DOTOQJQBSA-N 1 3 326.406 3.664 20 0 EHADHO CN1CC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000879573713 1137751628 /nfs/dbraw/zinc/75/16/28/1137751628.db2.gz QAMCEQONTCRNMF-DOTOQJQBSA-N 1 3 326.406 3.664 20 0 EHADHO CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886534522 1138092197 /nfs/dbraw/zinc/09/21/97/1138092197.db2.gz KASZEMIQQBUUPN-JKLQHZFJSA-N 1 3 342.527 3.834 20 0 EHADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886542944 1138093915 /nfs/dbraw/zinc/09/39/15/1138093915.db2.gz IHFFVGMBESPXTJ-YFNVTMOMSA-N 1 3 342.527 3.833 20 0 EHADHO Cc1sc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000090399924 1138210553 /nfs/dbraw/zinc/21/05/53/1138210553.db2.gz WLTGSNDAKLHUAD-ZWKOTPCHSA-N 1 3 341.524 3.877 20 0 EHADHO Cc1sc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000090399924 1138210554 /nfs/dbraw/zinc/21/05/54/1138210554.db2.gz WLTGSNDAKLHUAD-ZWKOTPCHSA-N 1 3 341.524 3.877 20 0 EHADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000125754964 1138315751 /nfs/dbraw/zinc/31/57/51/1138315751.db2.gz HPWBNUVODISDTQ-SJORKVTESA-N 1 3 334.504 3.783 20 0 EHADHO c1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133075838 1138618722 /nfs/dbraw/zinc/61/87/22/1138618722.db2.gz LQCSWNLYLWYJAI-UWJYYQICSA-N 1 3 328.500 3.545 20 0 EHADHO Cc1cccc(C)c1NC(=O)CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000137691208 1138869664 /nfs/dbraw/zinc/86/96/64/1138869664.db2.gz SFKAWJWACKMHCF-IBGZPJMESA-N 1 3 345.531 3.828 20 0 EHADHO Cc1cccc(C)c1NC(=O)CCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000137691208 1138869673 /nfs/dbraw/zinc/86/96/73/1138869673.db2.gz SFKAWJWACKMHCF-IBGZPJMESA-N 1 3 345.531 3.828 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3ccccc3c2)CC1 ZINC000177212642 1139605324 /nfs/dbraw/zinc/60/53/24/1139605324.db2.gz NGQXCJLNWZMTMZ-GOSISDBHSA-N 1 3 325.500 3.518 20 0 EHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000177311900 1139612070 /nfs/dbraw/zinc/61/20/70/1139612070.db2.gz IQQXNVOLJUYKRH-IBGZPJMESA-N 1 3 331.504 3.506 20 0 EHADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCS2 ZINC000191498242 1140467085 /nfs/dbraw/zinc/46/70/85/1140467085.db2.gz ZWMPSQFUBBQKNR-SFHVURJKSA-N 1 3 332.513 3.696 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000269076058 1141060927 /nfs/dbraw/zinc/06/09/27/1141060927.db2.gz YNQYMRNXJAXJDS-KPFFTGBYSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076058 1141060936 /nfs/dbraw/zinc/06/09/36/1141060936.db2.gz YNQYMRNXJAXJDS-KPFFTGBYSA-N 1 3 344.524 3.598 20 0 EHADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271457330 1141371446 /nfs/dbraw/zinc/37/14/46/1141371446.db2.gz FMZPUEZMNLGZFI-PWRODBHTSA-N 1 3 330.516 3.668 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000271544163 1141394049 /nfs/dbraw/zinc/39/40/49/1141394049.db2.gz TUWYJVRIDLQQIW-QAJUQPOASA-N 1 3 328.500 3.592 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1 ZINC000042909703 520749524 /nfs/dbraw/zinc/74/95/24/520749524.db2.gz OLCQWTUECXGNIG-UHFFFAOYSA-N 1 3 349.482 3.603 20 0 EHADHO FC(F)(F)c1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298434733 527686919 /nfs/dbraw/zinc/68/69/19/527686919.db2.gz NFCQYLJIBJHLMK-UHFFFAOYSA-N 1 3 335.373 3.859 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)CN1c1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001164635481 719211617 /nfs/dbraw/zinc/21/16/17/719211617.db2.gz IQJRVPISIZBDME-DLBZAZTESA-N 1 3 334.467 3.613 20 0 EHADHO CCn1nc(CN2CCC(C[NH3+])(c3ccccc3)CC2)c2ccccc21 ZINC000904458975 1032060596 /nfs/dbraw/zinc/06/05/96/1032060596.db2.gz LOZSAKAPEXPBGT-UHFFFAOYSA-N 1 3 348.494 3.549 20 0 EHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000904459559 1032060751 /nfs/dbraw/zinc/06/07/51/1032060751.db2.gz VHQIDCXLQDFYFF-UHFFFAOYSA-N 1 3 341.524 3.903 20 0 EHADHO Fc1ccc(/C=C\CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904475390 1032070170 /nfs/dbraw/zinc/07/01/70/1032070170.db2.gz OLTPINOJFYMQMO-VURZDNKASA-N 1 3 338.426 3.684 20 0 EHADHO CCOc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000537971573 1032072601 /nfs/dbraw/zinc/07/26/01/1032072601.db2.gz WXSCVOMOQNWXBS-KURKYZTESA-N 1 3 334.504 3.625 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2cnccc21 ZINC000904476610 1032073658 /nfs/dbraw/zinc/07/36/58/1032073658.db2.gz UYYKALRFEVRILH-UNMCSNQZSA-N 1 3 345.446 3.580 20 0 EHADHO CN1CCC[C@]2(CC[N@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429085 1014411243 /nfs/dbraw/zinc/41/12/43/1014411243.db2.gz VQLRITJTRXRETA-KRWDZBQOSA-N 1 3 342.405 3.545 20 0 EHADHO CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429085 1014411248 /nfs/dbraw/zinc/41/12/48/1014411248.db2.gz VQLRITJTRXRETA-KRWDZBQOSA-N 1 3 342.405 3.545 20 0 EHADHO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001279341347 1014530421 /nfs/dbraw/zinc/53/04/21/1014530421.db2.gz LILWRXVJBMLFLO-QGZVFWFLSA-N 1 3 342.405 3.811 20 0 EHADHO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001279341347 1014530425 /nfs/dbraw/zinc/53/04/25/1014530425.db2.gz LILWRXVJBMLFLO-QGZVFWFLSA-N 1 3 342.405 3.811 20 0 EHADHO CC[C@@H]([NH2+]C/C=C\CN[C@@H](CC)c1nccs1)c1nccs1 ZINC000347931061 1014565060 /nfs/dbraw/zinc/56/50/60/1014565060.db2.gz UNYVSLCXPKGPQW-YOQOKRQFSA-N 1 3 336.530 3.937 20 0 EHADHO CC[C@@H](NC/C=C\C[NH2+][C@@H](CC)c1nccs1)c1nccs1 ZINC000347931061 1014565074 /nfs/dbraw/zinc/56/50/74/1014565074.db2.gz UNYVSLCXPKGPQW-YOQOKRQFSA-N 1 3 336.530 3.937 20 0 EHADHO CCC(=O)C(C)(C)CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001208920278 1015601993 /nfs/dbraw/zinc/60/19/93/1015601993.db2.gz ARQQAGBZVLJDHQ-QEUVDIPISA-N 1 3 344.543 3.887 20 0 EHADHO CCC(=O)C(C)(C)CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001208920278 1015602000 /nfs/dbraw/zinc/60/20/00/1015602000.db2.gz ARQQAGBZVLJDHQ-QEUVDIPISA-N 1 3 344.543 3.887 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115359 1016179019 /nfs/dbraw/zinc/17/90/19/1016179019.db2.gz HXSAFJMVVZJNAN-FRQCXROJSA-N 1 3 327.472 3.511 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115359 1016179023 /nfs/dbraw/zinc/17/90/23/1016179023.db2.gz HXSAFJMVVZJNAN-FRQCXROJSA-N 1 3 327.472 3.511 20 0 EHADHO Clc1cnc2oc(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000648357809 1016764833 /nfs/dbraw/zinc/76/48/33/1016764833.db2.gz MEMCVHMVJDHSKS-UHFFFAOYSA-N 1 3 333.863 3.789 20 0 EHADHO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180168292 1016887594 /nfs/dbraw/zinc/88/75/94/1016887594.db2.gz HVPAIMYUZUGIKR-FRYIKTPZSA-N 1 3 330.516 3.690 20 0 EHADHO c1ccc2c(c1)nc(CNC1CCN(c3cc[nH+]cc3)CC1)n2C1CC1 ZINC000459488244 1032182011 /nfs/dbraw/zinc/18/20/11/1032182011.db2.gz ZDAMDJYOZSZOSV-UHFFFAOYSA-N 1 3 347.466 3.525 20 0 EHADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379623344 1032183292 /nfs/dbraw/zinc/18/32/92/1032183292.db2.gz IEQXKVUPTKTIJR-GHTZIAJQSA-N 1 3 329.532 3.504 20 0 EHADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440233 1032301151 /nfs/dbraw/zinc/30/11/51/1032301151.db2.gz KRPKRKNPKUCEQI-BLIXFSHQSA-N 1 3 348.506 3.626 20 0 EHADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440233 1032301157 /nfs/dbraw/zinc/30/11/57/1032301157.db2.gz KRPKRKNPKUCEQI-BLIXFSHQSA-N 1 3 348.506 3.626 20 0 EHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000449232470 1032350445 /nfs/dbraw/zinc/35/04/45/1032350445.db2.gz HZKMJNNFUDKOQT-IRXDYDNUSA-N 1 3 341.474 3.967 20 0 EHADHO C[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1nccs1 ZINC000449234522 1032352091 /nfs/dbraw/zinc/35/20/91/1032352091.db2.gz CHWJCDMIVLZLFW-IRXDYDNUSA-N 1 3 343.540 3.932 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000536861165 1032360922 /nfs/dbraw/zinc/36/09/22/1032360922.db2.gz DAKMQLZWUZFRBB-OWCLPIDISA-N 1 3 336.545 3.777 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2c(s1)CCC2 ZINC000536861172 1032361101 /nfs/dbraw/zinc/36/11/01/1032361101.db2.gz DAKMQLZWUZFRBB-XHSDSOJGSA-N 1 3 336.545 3.777 20 0 EHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536862903 1032362849 /nfs/dbraw/zinc/36/28/49/1032362849.db2.gz KZZUXDCFDRLVCJ-NLDJYOPPSA-N 1 3 334.479 3.538 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459682910 1032410710 /nfs/dbraw/zinc/41/07/10/1032410710.db2.gz BBLIDEIHGDQBDQ-VXKWHMMOSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459682910 1032410715 /nfs/dbraw/zinc/41/07/15/1032410715.db2.gz BBLIDEIHGDQBDQ-VXKWHMMOSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[C@@H](O)C(F)(F)F)CC1 ZINC000449325657 1032437975 /nfs/dbraw/zinc/43/79/75/1032437975.db2.gz OMPJKDDFWYSRFC-CQSZACIVSA-N 1 3 338.458 3.569 20 0 EHADHO CSC1(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH+](C)CC1 ZINC000449340473 1032453143 /nfs/dbraw/zinc/45/31/43/1032453143.db2.gz WIASGJFXBZRUSS-CYBMUJFWSA-N 1 3 344.446 3.508 20 0 EHADHO Cc1cc(NC2CCN(CCC(F)(F)F)CC2)ccc1C[NH+](C)C ZINC000459766025 1032468121 /nfs/dbraw/zinc/46/81/21/1032468121.db2.gz PQMBTFRAIDMKFD-UHFFFAOYSA-N 1 3 343.437 3.885 20 0 EHADHO Cc1ccc([C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000091343543 1032687738 /nfs/dbraw/zinc/68/77/38/1032687738.db2.gz ZMVLQZDJJIWJJM-DYESRHJHSA-N 1 3 328.500 3.537 20 0 EHADHO Cc1[nH]c2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1C ZINC000655700510 1017418095 /nfs/dbraw/zinc/41/80/95/1017418095.db2.gz LOBPLMYBAPWHIH-LJQANCHMSA-N 1 3 341.499 3.518 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415071237 1017504985 /nfs/dbraw/zinc/50/49/85/1017504985.db2.gz WENOGJQAEHVWHY-BEFAXECRSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415107447 1017561814 /nfs/dbraw/zinc/56/18/14/1017561814.db2.gz OUFUFNLLDUUGRX-CJNGLKHVSA-N 1 3 326.406 3.857 20 0 EHADHO c1cnn(Cc2ccccc2CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415112981 1017568141 /nfs/dbraw/zinc/56/81/41/1017568141.db2.gz SBGFHZOIDVTWAD-FGZHOGPDSA-N 1 3 346.478 3.514 20 0 EHADHO Cc1ccc([C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000538115832 1017733218 /nfs/dbraw/zinc/73/32/18/1017733218.db2.gz CJVGVTCRODHSJF-LVCYWYKZSA-N 1 3 330.516 3.925 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2ccccc2s1 ZINC000275665438 1018020989 /nfs/dbraw/zinc/02/09/89/1018020989.db2.gz BTTOOXSEOJZDDU-BMGDILEWSA-N 1 3 344.524 3.930 20 0 EHADHO FC(F)(F)Oc1cccc(CCNC2CC([NH+]3CCCCC3)C2)c1 ZINC000894172943 1019047264 /nfs/dbraw/zinc/04/72/64/1019047264.db2.gz YWANYLXALPBTNL-UHFFFAOYSA-N 1 3 342.405 3.734 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168279764 1032816133 /nfs/dbraw/zinc/81/61/33/1032816133.db2.gz KWUWLAHYJPPVTG-WOJBJXKFSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168279764 1032816155 /nfs/dbraw/zinc/81/61/55/1032816155.db2.gz KWUWLAHYJPPVTG-WOJBJXKFSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@H](N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001168279764 1032816171 /nfs/dbraw/zinc/81/61/71/1032816171.db2.gz KWUWLAHYJPPVTG-WOJBJXKFSA-N 1 3 328.500 3.503 20 0 EHADHO Clc1ccccc1[C@@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCCC1 ZINC000574284767 1032881552 /nfs/dbraw/zinc/88/15/52/1032881552.db2.gz KOTXXRDHZPJRMD-HXUWFJFHSA-N 1 3 347.934 3.693 20 0 EHADHO Clc1ccccc1[C@@H](CNC1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000574284767 1032881580 /nfs/dbraw/zinc/88/15/80/1032881580.db2.gz KOTXXRDHZPJRMD-HXUWFJFHSA-N 1 3 347.934 3.693 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035347 1020671660 /nfs/dbraw/zinc/67/16/60/1020671660.db2.gz ILCZUXZTTIQHMI-PBHICJAKSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035347 1020671665 /nfs/dbraw/zinc/67/16/65/1020671665.db2.gz ILCZUXZTTIQHMI-PBHICJAKSA-N 1 3 339.321 3.920 20 0 EHADHO C[NH+](C)CCOc1ccc(CN2CCC(c3ccco3)CC2)cc1 ZINC000668461644 1020763793 /nfs/dbraw/zinc/76/37/93/1020763793.db2.gz AEDKPHZBYGBQMR-UHFFFAOYSA-N 1 3 328.456 3.600 20 0 EHADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCc2c(Br)cccc21 ZINC000341199874 1021085764 /nfs/dbraw/zinc/08/57/64/1021085764.db2.gz YVFQNMQMNVHOKK-MLGOLLRUSA-N 1 3 325.294 3.756 20 0 EHADHO COc1ccc2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656783681 1021320225 /nfs/dbraw/zinc/32/02/25/1021320225.db2.gz UCENLIDLPPKGJY-OAHLLOKOSA-N 1 3 345.512 3.517 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1O ZINC000426366719 1021391106 /nfs/dbraw/zinc/39/11/06/1021391106.db2.gz QSUAYCRLGXTFOF-SJORKVTESA-N 1 3 334.504 3.576 20 0 EHADHO COc1cccc(-c2csc(CNCC[C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000894860788 1021504784 /nfs/dbraw/zinc/50/47/84/1021504784.db2.gz GPEHMTBJDVDHNY-HNNXBMFYSA-N 1 3 345.512 3.640 20 0 EHADHO COc1cccc(-c2csc(CNCC[C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000894860788 1021504788 /nfs/dbraw/zinc/50/47/88/1021504788.db2.gz GPEHMTBJDVDHNY-HNNXBMFYSA-N 1 3 345.512 3.640 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1COC(C)C ZINC000519699102 1021615701 /nfs/dbraw/zinc/61/57/01/1021615701.db2.gz YCRYZTGHFNPPNV-OAHLLOKOSA-N 1 3 327.472 3.625 20 0 EHADHO COc1ccc2oc(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1 ZINC000152694742 1021682189 /nfs/dbraw/zinc/68/21/89/1021682189.db2.gz DPSAHXNOQQVKBF-UHFFFAOYSA-N 1 3 328.456 3.749 20 0 EHADHO C[C@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414900107 1021688191 /nfs/dbraw/zinc/68/81/91/1021688191.db2.gz VOTMOMCJIUQXEE-OAHLLOKOSA-N 1 3 338.430 3.505 20 0 EHADHO CCN1CCN(c2ccccc2C[N@H+](C)Cc2sccc2C)CC1 ZINC000506018253 1021704862 /nfs/dbraw/zinc/70/48/62/1021704862.db2.gz ZFGNWCOZLHAVQB-UHFFFAOYSA-N 1 3 343.540 3.830 20 0 EHADHO CCN1CCN(c2ccccc2C[N@@H+](C)Cc2sccc2C)CC1 ZINC000506018253 1021704874 /nfs/dbraw/zinc/70/48/74/1021704874.db2.gz ZFGNWCOZLHAVQB-UHFFFAOYSA-N 1 3 343.540 3.830 20 0 EHADHO Fc1ccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167962159 1021982654 /nfs/dbraw/zinc/98/26/54/1021982654.db2.gz UHZZMHRFUJFKPG-YQQQUEKLSA-N 1 3 332.463 3.590 20 0 EHADHO Fc1ccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167962159 1021982674 /nfs/dbraw/zinc/98/26/74/1021982674.db2.gz UHZZMHRFUJFKPG-YQQQUEKLSA-N 1 3 332.463 3.590 20 0 EHADHO C[C@@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437699274 1022067937 /nfs/dbraw/zinc/06/79/37/1022067937.db2.gz IAQOSVWFLUFDRD-RCCFBDPRSA-N 1 3 348.506 3.750 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccncc2)cc1 ZINC000156465355 1022312606 /nfs/dbraw/zinc/31/26/06/1022312606.db2.gz NTPXABVBMKCNBH-QGZVFWFLSA-N 1 3 327.472 3.653 20 0 EHADHO CCCCN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000122966951 1022323709 /nfs/dbraw/zinc/32/37/09/1022323709.db2.gz ATGZANOHVQSUKW-UHFFFAOYSA-N 1 3 329.532 3.505 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H](C)O1 ZINC000438180147 1022445039 /nfs/dbraw/zinc/44/50/39/1022445039.db2.gz SQHMXRNZFVAKKY-NPDDRXJXSA-N 1 3 344.543 3.976 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000467367879 1022569964 /nfs/dbraw/zinc/56/99/64/1022569964.db2.gz DPHCWWSOUPSDTI-XYPHTWIQSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000467367879 1022569979 /nfs/dbraw/zinc/56/99/79/1022569979.db2.gz DPHCWWSOUPSDTI-XYPHTWIQSA-N 1 3 326.406 3.853 20 0 EHADHO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OCc1cccs1 ZINC000517742135 1022614318 /nfs/dbraw/zinc/61/43/18/1022614318.db2.gz NKJVMPZAUJRFCB-UONOGXRCSA-N 1 3 334.485 3.551 20 0 EHADHO CCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639355 1022748963 /nfs/dbraw/zinc/74/89/63/1022748963.db2.gz OWROAHPUOSIGSI-DLBZAZTESA-N 1 3 344.421 3.593 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000550213658 1022759111 /nfs/dbraw/zinc/75/91/11/1022759111.db2.gz VNYXJFOGVKJMHB-ZWKOTPCHSA-N 1 3 338.536 3.600 20 0 EHADHO C[N@@H+]1CCC[C@@H](CNCc2n[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000608059985 1022836818 /nfs/dbraw/zinc/83/68/18/1022836818.db2.gz UHTLKYYYMXFJTF-IFXJQAMLSA-N 1 3 340.496 3.797 20 0 EHADHO C[N@H+]1CCC[C@@H](CNCc2n[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000608059985 1022836828 /nfs/dbraw/zinc/83/68/28/1022836828.db2.gz UHTLKYYYMXFJTF-IFXJQAMLSA-N 1 3 340.496 3.797 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414941315 1022914564 /nfs/dbraw/zinc/91/45/64/1022914564.db2.gz LNWXOINXKSTWKQ-KBRIMQKVSA-N 1 3 339.321 3.748 20 0 EHADHO Cc1cc(C[NH2+]C2CCN(C(C)C)CC2)ccc1Br ZINC000091467512 1022946078 /nfs/dbraw/zinc/94/60/78/1022946078.db2.gz DBZDDYPLQQUFDC-UHFFFAOYSA-N 1 3 325.294 3.720 20 0 EHADHO C[C@H]1CNCC[C@@H]1[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414948389 1022974563 /nfs/dbraw/zinc/97/45/63/1022974563.db2.gz XYHMERJTIFGCLM-XOBRGWDASA-N 1 3 330.422 3.684 20 0 EHADHO FC(F)(F)Oc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000506898805 1022982221 /nfs/dbraw/zinc/98/22/21/1022982221.db2.gz WHXJJKKPCIZVCB-UHFFFAOYSA-N 1 3 342.405 3.893 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1 ZINC000414958402 1023048136 /nfs/dbraw/zinc/04/81/36/1023048136.db2.gz WSHJZHVQUBRZOW-AUUYWEPGSA-N 1 3 330.422 3.827 20 0 EHADHO CCCN(Cc1ccc(OCc2cccnc2)cc1)C1CC[NH2+]CC1 ZINC000431083175 1023238261 /nfs/dbraw/zinc/23/82/61/1023238261.db2.gz XZMWKRGPINPPRC-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CCNCC1 ZINC000431083175 1023238268 /nfs/dbraw/zinc/23/82/68/1023238268.db2.gz XZMWKRGPINPPRC-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CCNCC1 ZINC000431083175 1023238278 /nfs/dbraw/zinc/23/82/78/1023238278.db2.gz XZMWKRGPINPPRC-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000276943809 1023440112 /nfs/dbraw/zinc/44/01/12/1023440112.db2.gz UNUGZFSFBAISAP-KRWDZBQOSA-N 1 3 345.531 3.678 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000276943809 1023440119 /nfs/dbraw/zinc/44/01/19/1023440119.db2.gz UNUGZFSFBAISAP-KRWDZBQOSA-N 1 3 345.531 3.678 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000522534460 1024060227 /nfs/dbraw/zinc/06/02/27/1024060227.db2.gz KGUXHXWYKUBARO-MRXNPFEDSA-N 1 3 334.467 3.878 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000522534460 1024060243 /nfs/dbraw/zinc/06/02/43/1024060243.db2.gz KGUXHXWYKUBARO-MRXNPFEDSA-N 1 3 334.467 3.878 20 0 EHADHO Cc1cccc2oc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc21 ZINC000520564916 1024120633 /nfs/dbraw/zinc/12/06/33/1024120633.db2.gz KJSXIMQESYCACE-GVDBMIGSSA-N 1 3 327.472 3.579 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103609 1024135881 /nfs/dbraw/zinc/13/58/81/1024135881.db2.gz CVLCARIJRZSJPN-CXAGYDPISA-N 1 3 342.405 3.968 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103609 1024135887 /nfs/dbraw/zinc/13/58/87/1024135887.db2.gz CVLCARIJRZSJPN-CXAGYDPISA-N 1 3 342.405 3.968 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103609 1024135894 /nfs/dbraw/zinc/13/58/94/1024135894.db2.gz CVLCARIJRZSJPN-CXAGYDPISA-N 1 3 342.405 3.968 20 0 EHADHO COc1ccc(CC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000428285327 1024209907 /nfs/dbraw/zinc/20/99/07/1024209907.db2.gz OFALFPVSBOOWGK-UHFFFAOYSA-N 1 3 330.516 3.826 20 0 EHADHO COC(C)(C)[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000645407302 1024225717 /nfs/dbraw/zinc/22/57/17/1024225717.db2.gz DWVWJGWEHWHQEA-HNNXBMFYSA-N 1 3 338.923 3.955 20 0 EHADHO C[C@H](CCN1CC[C@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044284 1024253155 /nfs/dbraw/zinc/25/31/55/1024253155.db2.gz GUCGIHNOWDZZMX-TZIWHRDSSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@H](CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044284 1024253173 /nfs/dbraw/zinc/25/31/73/1024253173.db2.gz GUCGIHNOWDZZMX-TZIWHRDSSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@H](CC[N@H+]1CC[C@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044284 1024253188 /nfs/dbraw/zinc/25/31/88/1024253188.db2.gz GUCGIHNOWDZZMX-TZIWHRDSSA-N 1 3 330.516 3.790 20 0 EHADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166376 1024481105 /nfs/dbraw/zinc/48/11/05/1024481105.db2.gz IWHPILVLDHAONU-CTNGQTDRSA-N 1 3 335.495 3.992 20 0 EHADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166376 1024481109 /nfs/dbraw/zinc/48/11/09/1024481109.db2.gz IWHPILVLDHAONU-CTNGQTDRSA-N 1 3 335.495 3.992 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000283191677 1024482608 /nfs/dbraw/zinc/48/26/08/1024482608.db2.gz FSBORLQSWOGAID-IBGZPJMESA-N 1 3 329.532 3.628 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000283191677 1024482622 /nfs/dbraw/zinc/48/26/22/1024482622.db2.gz FSBORLQSWOGAID-IBGZPJMESA-N 1 3 329.532 3.628 20 0 EHADHO CCn1nc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc21 ZINC000472053569 1024514392 /nfs/dbraw/zinc/51/43/92/1024514392.db2.gz QNKFGWUREQJXGR-QZTJIDSGSA-N 1 3 342.531 3.904 20 0 EHADHO Cn1cc(CN2CCC(CCC[NH+](C)C)CC2)c(C2CCCC2)n1 ZINC000892119658 1024845457 /nfs/dbraw/zinc/84/54/57/1024845457.db2.gz FBJLPJGBMWTOJZ-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CC4(C3)COC(C)(C)C4)CC2)C1 ZINC000897973305 1033248515 /nfs/dbraw/zinc/24/85/15/1033248515.db2.gz QQYWFAHHIYMHNJ-OMMGITJUSA-N 1 3 334.548 3.967 20 0 EHADHO CN(C)CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000151936806 1025007025 /nfs/dbraw/zinc/00/70/25/1025007025.db2.gz WBLPFIBSXVTCSG-CYBMUJFWSA-N 1 3 329.307 3.527 20 0 EHADHO FC(F)(F)c1ncc(CNCCCCC[NH+]2CCCCC2)s1 ZINC000444001872 1025172869 /nfs/dbraw/zinc/17/28/69/1025172869.db2.gz LRRLPXMBSAQQPT-UHFFFAOYSA-N 1 3 335.439 3.908 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N1[C@H](C)CC[C@H]1C ZINC000342402256 1025213191 /nfs/dbraw/zinc/21/31/91/1025213191.db2.gz CVYAJXWCRVRMRQ-BRWVUGGUSA-N 1 3 343.515 3.523 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N1[C@H](C)CC[C@H]1C ZINC000342402256 1025213196 /nfs/dbraw/zinc/21/31/96/1025213196.db2.gz CVYAJXWCRVRMRQ-BRWVUGGUSA-N 1 3 343.515 3.523 20 0 EHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCc4ccccc4F)c3)C[C@@H]12 ZINC000346856799 1025246096 /nfs/dbraw/zinc/24/60/96/1025246096.db2.gz PPWAOUQNEJHQBX-LDQXTDLNSA-N 1 3 340.442 3.574 20 0 EHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767394 1025480140 /nfs/dbraw/zinc/48/01/40/1025480140.db2.gz YMSBLRMJCVKPMC-ROUUACIJSA-N 1 3 346.478 3.708 20 0 EHADHO CCCn1nccc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000657398049 1025923745 /nfs/dbraw/zinc/92/37/45/1025923745.db2.gz HWUVCWQPJRUQEH-QZTJIDSGSA-N 1 3 340.515 3.539 20 0 EHADHO CC[N@H+](CCC1CCN([C@@H](C)c2cnc(C)cn2)CC1)CC(C)C ZINC000428304798 1025929642 /nfs/dbraw/zinc/92/96/42/1025929642.db2.gz ZDEIEPOFMWOICK-SFHVURJKSA-N 1 3 332.536 3.926 20 0 EHADHO CC[N@@H+](CCC1CCN([C@@H](C)c2cnc(C)cn2)CC1)CC(C)C ZINC000428304798 1025929651 /nfs/dbraw/zinc/92/96/51/1025929651.db2.gz ZDEIEPOFMWOICK-SFHVURJKSA-N 1 3 332.536 3.926 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901496 1026387959 /nfs/dbraw/zinc/38/79/59/1026387959.db2.gz DHJUQSMWDGYVLK-TZMCWYRMSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901496 1026387969 /nfs/dbraw/zinc/38/79/69/1026387969.db2.gz DHJUQSMWDGYVLK-TZMCWYRMSA-N 1 3 343.284 3.893 20 0 EHADHO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000301377881 1026782526 /nfs/dbraw/zinc/78/25/26/1026782526.db2.gz WYXBHENEIGSEDO-CQSZACIVSA-N 1 3 347.409 3.819 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000305790974 1026984484 /nfs/dbraw/zinc/98/44/84/1026984484.db2.gz UBEHEZDIJMVPQR-NJDAHSKKSA-N 1 3 346.490 3.561 20 0 EHADHO CC[NH2+]CC1CCN(Cc2cccc(Br)c2C)CC1 ZINC000420295830 1027436081 /nfs/dbraw/zinc/43/60/81/1027436081.db2.gz WDHAFGCXZZZIBJ-UHFFFAOYSA-N 1 3 325.294 3.579 20 0 EHADHO Clc1ccc(-c2c[nH]c([C@H]3CCCN3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420315573 1027463774 /nfs/dbraw/zinc/46/37/74/1027463774.db2.gz KXJVTETZQJASQA-RDTXWAMCSA-N 1 3 344.890 3.867 20 0 EHADHO Fc1cc(Br)cc([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420363727 1027489011 /nfs/dbraw/zinc/48/90/11/1027489011.db2.gz CEABBJIRWFHEPZ-LRDDRELGSA-N 1 3 341.268 3.725 20 0 EHADHO Cc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453172608 1027491186 /nfs/dbraw/zinc/49/11/86/1027491186.db2.gz HYRZOKCJJIBHRE-BDTNDASRSA-N 1 3 335.495 3.923 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2sccc21 ZINC000453171965 1027493694 /nfs/dbraw/zinc/49/36/94/1027493694.db2.gz XZLOHBSPGANZAG-QCSYZSNVSA-N 1 3 334.529 3.654 20 0 EHADHO Cc1cc(Cl)ccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595812 1027571798 /nfs/dbraw/zinc/57/17/98/1027571798.db2.gz KHVAUAFFVIBLEQ-FQEVSTJZSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(Cl)ccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595812 1027571807 /nfs/dbraw/zinc/57/18/07/1027571807.db2.gz KHVAUAFFVIBLEQ-FQEVSTJZSA-N 1 3 344.886 3.505 20 0 EHADHO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613915 1027654183 /nfs/dbraw/zinc/65/41/83/1027654183.db2.gz WRTFDSRPSGSJDP-LAUBAEHRSA-N 1 3 327.516 3.876 20 0 EHADHO CCOc1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OCC ZINC000422758521 1027900541 /nfs/dbraw/zinc/90/05/41/1027900541.db2.gz KIVLPAQOHVMJEO-RTBURBONSA-N 1 3 340.467 3.761 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422744298 1027915564 /nfs/dbraw/zinc/91/55/64/1027915564.db2.gz JVQPIQQKUSEHJG-HZPDHXFCSA-N 1 3 337.305 3.730 20 0 EHADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000422750758 1027918252 /nfs/dbraw/zinc/91/82/52/1027918252.db2.gz BLDDGMYXLSHIDC-INWMFGNUSA-N 1 3 325.294 3.878 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422805986 1027957411 /nfs/dbraw/zinc/95/74/11/1027957411.db2.gz HLVFDFZZYUSOCW-ZWKOTPCHSA-N 1 3 348.494 3.814 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422805985 1027957750 /nfs/dbraw/zinc/95/77/50/1027957750.db2.gz HLVFDFZZYUSOCW-ROUUACIJSA-N 1 3 348.494 3.814 20 0 EHADHO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422790359 1027963882 /nfs/dbraw/zinc/96/38/82/1027963882.db2.gz TXQNWCWJKURQGW-QRWLVFNGSA-N 1 3 327.472 3.905 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422861484 1027996623 /nfs/dbraw/zinc/99/66/23/1027996623.db2.gz MTAUBPVNBUBRHH-XMSQKQJNSA-N 1 3 338.495 3.881 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862049 1027998080 /nfs/dbraw/zinc/99/80/80/1027998080.db2.gz NHFDURAHNAEREB-WJFTUGDTSA-N 1 3 335.561 3.641 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(OCC(C)C)cc1 ZINC000422859878 1027998157 /nfs/dbraw/zinc/99/81/57/1027998157.db2.gz LEEMGWZSYFOMBA-MRXNPFEDSA-N 1 3 341.499 3.777 20 0 EHADHO Cc1ccc(-c2nc(CC[NH2+][C@@H]3C[C@@H](N)c4ccccc43)co2)cc1 ZINC000422878522 1028012538 /nfs/dbraw/zinc/01/25/38/1028012538.db2.gz KDASMMMCRRKLQE-WOJBJXKFSA-N 1 3 333.435 3.927 20 0 EHADHO Cc1ccccc1C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422878973 1028012569 /nfs/dbraw/zinc/01/25/69/1028012569.db2.gz LPDAGVOPEVTABZ-RTWAWAEBSA-N 1 3 336.479 3.778 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000422873016 1028031039 /nfs/dbraw/zinc/03/10/39/1028031039.db2.gz JMAOIHFALULKQU-CVEARBPZSA-N 1 3 338.499 3.861 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(Sc2ccccc2)CC1 ZINC000422907929 1028039609 /nfs/dbraw/zinc/03/96/09/1028039609.db2.gz LUUKQINILABIGG-APWZRJJASA-N 1 3 326.509 3.859 20 0 EHADHO COc1ccc(C[C@H](N[C@H](C)C[C@H](C)[NH3+])c2ccccc2)cc1OC ZINC000422913125 1028046882 /nfs/dbraw/zinc/04/68/82/1028046882.db2.gz XVXHKARWXNWOTB-FCEWJHQRSA-N 1 3 342.483 3.703 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000502283907 1028059083 /nfs/dbraw/zinc/05/90/83/1028059083.db2.gz QYVLVFIPZYCMHF-SFHVURJKSA-N 1 3 348.531 3.655 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1OC ZINC000502268874 1028066631 /nfs/dbraw/zinc/06/66/31/1028066631.db2.gz NPKAYFSQRVFUBM-ZWKOTPCHSA-N 1 3 348.531 3.797 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000422999162 1028112747 /nfs/dbraw/zinc/11/27/47/1028112747.db2.gz DTVFPDVRCBVTLX-QUCCMNQESA-N 1 3 337.467 3.546 20 0 EHADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000422997361 1028114749 /nfs/dbraw/zinc/11/47/49/1028114749.db2.gz NUNOBXKGXNVSIJ-YSSFQJQWSA-N 1 3 342.508 3.680 20 0 EHADHO c1cnc2c(c1)CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC000643344988 1028125276 /nfs/dbraw/zinc/12/52/76/1028125276.db2.gz DQLKFZFEHRQRHZ-LJQANCHMSA-N 1 3 327.516 3.573 20 0 EHADHO CCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1Cl ZINC000423099580 1028182790 /nfs/dbraw/zinc/18/27/90/1028182790.db2.gz FOJHUWOHJHHGBI-GFCCVEGCSA-N 1 3 333.863 3.752 20 0 EHADHO C[C@H](N[C@H]1CCCc2c(Br)cccc21)[C@H]1CCC[NH2+]C1 ZINC000423211321 1028254549 /nfs/dbraw/zinc/25/45/49/1028254549.db2.gz GVSKWXPIPIKMSI-DCGLDWPTSA-N 1 3 337.305 3.804 20 0 EHADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423225015 1028289619 /nfs/dbraw/zinc/28/96/19/1028289619.db2.gz KXJVUTMRQRBOLP-ZUZCIYMTSA-N 1 3 336.277 3.635 20 0 EHADHO C[C@H]([NH3+])CCN[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423224149 1028292058 /nfs/dbraw/zinc/29/20/58/1028292058.db2.gz IJNPKCRRUFGJHI-ISTVAULSSA-N 1 3 329.307 3.559 20 0 EHADHO O[C@@H](C[C@H]1CCCN1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979740 1028401507 /nfs/dbraw/zinc/40/15/07/1028401507.db2.gz MBZQWFAKEAPMGT-UXHICEINSA-N 1 3 334.479 3.590 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423398859 1028409686 /nfs/dbraw/zinc/40/96/86/1028409686.db2.gz UIROIHTULILCIF-KRWDZBQOSA-N 1 3 347.384 3.871 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000423428492 1028439546 /nfs/dbraw/zinc/43/95/46/1028439546.db2.gz RLHVJMHBLHHMOM-FTRWYGJKSA-N 1 3 327.447 3.665 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@](C)(O)c1ccsc1 ZINC000237131790 1028442219 /nfs/dbraw/zinc/44/22/19/1028442219.db2.gz HIAUNMIONULSGR-HXUWFJFHSA-N 1 3 346.540 3.703 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@](C)(O)c1ccsc1 ZINC000237131790 1028442235 /nfs/dbraw/zinc/44/22/35/1028442235.db2.gz HIAUNMIONULSGR-HXUWFJFHSA-N 1 3 346.540 3.703 20 0 EHADHO CC(=O)Nc1cccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423510071 1028488221 /nfs/dbraw/zinc/48/82/21/1028488221.db2.gz RYZBMVWJDKOAQR-QRWLVFNGSA-N 1 3 325.456 3.776 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135625 1028585374 /nfs/dbraw/zinc/58/53/74/1028585374.db2.gz PPXOYGNRAPVVOA-RDJZCZTQSA-N 1 3 329.875 3.908 20 0 EHADHO CC[N@H+](CC[C@@H]1CCCN1C)Cc1cccc(Br)c1 ZINC000502717609 1028593557 /nfs/dbraw/zinc/59/35/57/1028593557.db2.gz CNZLFPDQEXEVSH-INIZCTEOSA-N 1 3 325.294 3.755 20 0 EHADHO CC[N@@H+](CC[C@@H]1CCCN1C)Cc1cccc(Br)c1 ZINC000502717609 1028593566 /nfs/dbraw/zinc/59/35/66/1028593566.db2.gz CNZLFPDQEXEVSH-INIZCTEOSA-N 1 3 325.294 3.755 20 0 EHADHO Cc1nccn1CCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670726 /nfs/dbraw/zinc/67/07/26/1028670726.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 1 3 332.536 3.558 20 0 EHADHO Cc1nccn1CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246624967 1028670728 /nfs/dbraw/zinc/67/07/28/1028670728.db2.gz QVXSMOMHAFGAEW-QUCCMNQESA-N 1 3 332.536 3.558 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2ccccc2OC)[C@H](C)C1 ZINC000247213940 1028760955 /nfs/dbraw/zinc/76/09/55/1028760955.db2.gz XDZRXUSFQCGXRR-RLLQIKCJSA-N 1 3 348.531 3.873 20 0 EHADHO C[C@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)CN(C)C ZINC000422080790 1029049287 /nfs/dbraw/zinc/04/92/87/1029049287.db2.gz BGQMESWWVGXTGS-QGZVFWFLSA-N 1 3 340.515 3.953 20 0 EHADHO c1cc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790080 1029083173 /nfs/dbraw/zinc/08/31/73/1029083173.db2.gz ZKSARAGHQNEKQU-KBPBESRZSA-N 1 3 333.526 3.693 20 0 EHADHO OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000245755399 1029247668 /nfs/dbraw/zinc/24/76/68/1029247668.db2.gz URGCRQHYNBNVLN-CIAFKFPVSA-N 1 3 336.479 3.505 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125820799 1029614610 /nfs/dbraw/zinc/61/46/10/1029614610.db2.gz UDGULMFSYHCEHA-AEFFLSMTSA-N 1 3 334.504 3.865 20 0 EHADHO COCc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccc1OC ZINC000125906945 1029631175 /nfs/dbraw/zinc/63/11/75/1029631175.db2.gz MPKBWMQWRLDOPU-IRXDYDNUSA-N 1 3 334.504 3.613 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716222 1029797191 /nfs/dbraw/zinc/79/71/91/1029797191.db2.gz KJUGZDBCOUBZET-DYXWJJEUSA-N 1 3 338.495 3.954 20 0 EHADHO C[C@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)[C@H]1CC[NH3+] ZINC000650711107 1030056650 /nfs/dbraw/zinc/05/66/50/1030056650.db2.gz ITIPXTRSMKOMBW-UWJYYQICSA-N 1 3 339.483 3.610 20 0 EHADHO C[C@H]1CCCN(Cc2ccc(OCc3cccnc3)cc2)[C@@H]1CC[NH3+] ZINC000650711835 1030078452 /nfs/dbraw/zinc/07/84/52/1030078452.db2.gz FXOPCYATILDCKK-LAUBAEHRSA-N 1 3 339.483 3.610 20 0 EHADHO O[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC000090522326 1030133847 /nfs/dbraw/zinc/13/38/47/1030133847.db2.gz DUNDYKFPCXKHPF-FSSWDIPSSA-N 1 3 342.527 3.812 20 0 EHADHO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000453444256 1030263171 /nfs/dbraw/zinc/26/31/71/1030263171.db2.gz XVXGIADZIAUPTK-PLACYPQZSA-N 1 3 342.527 3.692 20 0 EHADHO C[NH+](C)CCOc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000525981733 1030298399 /nfs/dbraw/zinc/29/83/99/1030298399.db2.gz ZRCQYSZEECJVDQ-UHFFFAOYSA-N 1 3 334.410 3.854 20 0 EHADHO C[C@@H]1C[C@@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168091689 1030413537 /nfs/dbraw/zinc/41/35/37/1030413537.db2.gz BGYPYIJNASFLDB-CJNGLKHVSA-N 1 3 342.405 3.523 20 0 EHADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000121893602 1030434104 /nfs/dbraw/zinc/43/41/04/1030434104.db2.gz NZJXQFQEKNCKOR-RDTXWAMCSA-N 1 3 334.891 3.936 20 0 EHADHO C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(OCC[NH+](C)C)cc1 ZINC000130243860 1030692056 /nfs/dbraw/zinc/69/20/56/1030692056.db2.gz RVXBSIFQCFAJDL-YWZLYKJASA-N 1 3 340.467 3.671 20 0 EHADHO CCCCN(C)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583776126 1030704860 /nfs/dbraw/zinc/70/48/60/1030704860.db2.gz QYNWENUSGLVBII-ZJOUEHCJSA-N 1 3 331.548 3.750 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194240079 1030753023 /nfs/dbraw/zinc/75/30/23/1030753023.db2.gz AQYSEVXHEVLSID-KRWDZBQOSA-N 1 3 326.488 3.678 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194240079 1030753041 /nfs/dbraw/zinc/75/30/41/1030753041.db2.gz AQYSEVXHEVLSID-KRWDZBQOSA-N 1 3 326.488 3.678 20 0 EHADHO N[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806578 1030812638 /nfs/dbraw/zinc/81/26/38/1030812638.db2.gz AOYKKUIBQGPKIL-GJZGRUSLSA-N 1 3 331.460 3.654 20 0 EHADHO FC(F)(F)Oc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168353798 1030854210 /nfs/dbraw/zinc/85/42/10/1030854210.db2.gz UGVBJNMLXBBEMR-UHFFFAOYSA-N 1 3 328.378 3.549 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000551009954 1030909098 /nfs/dbraw/zinc/90/90/98/1030909098.db2.gz XRMMPOQCOOJLPU-VURPSTOHSA-N 1 3 329.532 3.532 20 0 EHADHO CCCN1CCC([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483961801 1031403316 /nfs/dbraw/zinc/40/33/16/1031403316.db2.gz XNAXJMREPJKVMC-UHFFFAOYSA-N 1 3 328.859 3.664 20 0 EHADHO CCCN1CCC([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000483961801 1031403325 /nfs/dbraw/zinc/40/33/25/1031403325.db2.gz XNAXJMREPJKVMC-UHFFFAOYSA-N 1 3 328.859 3.664 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995493 1031435077 /nfs/dbraw/zinc/43/50/77/1031435077.db2.gz PAJQIWLNOVYYFR-SJORKVTESA-N 1 3 343.515 3.791 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C2CCCCC2)cc1 ZINC000484133732 1031475306 /nfs/dbraw/zinc/47/53/06/1031475306.db2.gz AXVDZDHWILSJPL-KRWDZBQOSA-N 1 3 330.516 3.842 20 0 EHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178035053 1031610833 /nfs/dbraw/zinc/61/08/33/1031610833.db2.gz FVTXVNZYOXRCJF-QWFCFKBJSA-N 1 3 346.515 3.688 20 0 EHADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178037721 1031611549 /nfs/dbraw/zinc/61/15/49/1031611549.db2.gz OJNGEZRJLLLKMJ-NSHGMRRFSA-N 1 3 346.515 3.688 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000181414356 1032024057 /nfs/dbraw/zinc/02/40/57/1032024057.db2.gz OMPKOJLLZSOGOR-FKBYEOEOSA-N 1 3 342.527 3.730 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000537954592 1032041895 /nfs/dbraw/zinc/04/18/95/1032041895.db2.gz NUOHYGJONLDBTL-LEOXJPRUSA-N 1 3 349.522 3.673 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccc(OC)c(O)c2)CC1)CC(C)C ZINC000685462609 1033357699 /nfs/dbraw/zinc/35/76/99/1033357699.db2.gz GINLEYPXQKFWOJ-UHFFFAOYSA-N 1 3 348.531 3.981 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccc(OC)c(O)c2)CC1)CC(C)C ZINC000685462609 1033357712 /nfs/dbraw/zinc/35/77/12/1033357712.db2.gz GINLEYPXQKFWOJ-UHFFFAOYSA-N 1 3 348.531 3.981 20 0 EHADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000044533364 1033508761 /nfs/dbraw/zinc/50/87/61/1033508761.db2.gz FBZPOXOCHAAWDI-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533364 1033508768 /nfs/dbraw/zinc/50/87/68/1033508768.db2.gz FBZPOXOCHAAWDI-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)N(C)C ZINC000550608420 1033723564 /nfs/dbraw/zinc/72/35/64/1033723564.db2.gz GOLITZYYSJGJAS-HKBOAZHASA-N 1 3 331.548 3.778 20 0 EHADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cccc3cnccc32)cc1 ZINC000666922649 1033981078 /nfs/dbraw/zinc/98/10/78/1033981078.db2.gz IHBFEOYFHCHIQT-CTNGQTDRSA-N 1 3 349.453 3.857 20 0 EHADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000666922649 1033981090 /nfs/dbraw/zinc/98/10/90/1033981090.db2.gz IHBFEOYFHCHIQT-CTNGQTDRSA-N 1 3 349.453 3.857 20 0 EHADHO c1ccc2c(c1)CCC([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658166935 1034029743 /nfs/dbraw/zinc/02/97/43/1034029743.db2.gz WNJSXXJIGYGFHX-UHFFFAOYSA-N 1 3 349.522 3.831 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)n1 ZINC000658168726 1034035624 /nfs/dbraw/zinc/03/56/24/1034035624.db2.gz XYDCDIVFZCTRIO-KRWDZBQOSA-N 1 3 338.499 3.656 20 0 EHADHO Cc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1F ZINC000119401185 1034140761 /nfs/dbraw/zinc/14/07/61/1034140761.db2.gz MXIHAYQPQOHXEU-INIZCTEOSA-N 1 3 330.447 3.925 20 0 EHADHO C[NH+](C)C1CCC(N2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001168328845 1034193787 /nfs/dbraw/zinc/19/37/87/1034193787.db2.gz LEWCLSYBDFYRAF-UHFFFAOYSA-N 1 3 326.406 3.936 20 0 EHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181904 1034410503 /nfs/dbraw/zinc/41/05/03/1034410503.db2.gz JXDMBEGIRDBLNO-SFTDATJTSA-N 1 3 337.467 3.570 20 0 EHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181904 1034410514 /nfs/dbraw/zinc/41/05/14/1034410514.db2.gz JXDMBEGIRDBLNO-SFTDATJTSA-N 1 3 337.467 3.570 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(CC)CC ZINC000605425227 1034725180 /nfs/dbraw/zinc/72/51/80/1034725180.db2.gz CWFZACYVUIBWIX-PXNSSMCTSA-N 1 3 345.531 3.977 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(CC)CC ZINC000605425227 1034725190 /nfs/dbraw/zinc/72/51/90/1034725190.db2.gz CWFZACYVUIBWIX-PXNSSMCTSA-N 1 3 345.531 3.977 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000310645514 1035229258 /nfs/dbraw/zinc/22/92/58/1035229258.db2.gz AYBDDUVIKJJQFP-UHFFFAOYSA-N 1 3 347.503 3.998 20 0 EHADHO CC[C@@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1[NH3+] ZINC000647498212 1035349937 /nfs/dbraw/zinc/34/99/37/1035349937.db2.gz CUPUBZJMABEYRG-IEBWSBKVSA-N 1 3 334.467 3.585 20 0 EHADHO C[C@H]([NH2+]Cc1ccccc1N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492420728 1035756875 /nfs/dbraw/zinc/75/68/75/1035756875.db2.gz FWVOXSUGYAHKAI-RXVVDRJESA-N 1 3 337.511 3.753 20 0 EHADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000414211641 1036085177 /nfs/dbraw/zinc/08/51/77/1036085177.db2.gz VQSJAYFYUFUBIZ-OYNPSCLESA-N 1 3 330.516 3.549 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000191501913 1036396741 /nfs/dbraw/zinc/39/67/41/1036396741.db2.gz JPWCYCKZXXTLBV-IBGZPJMESA-N 1 3 333.520 3.613 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000191501913 1036396762 /nfs/dbraw/zinc/39/67/62/1036396762.db2.gz JPWCYCKZXXTLBV-IBGZPJMESA-N 1 3 333.520 3.613 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000192746687 1036549018 /nfs/dbraw/zinc/54/90/18/1036549018.db2.gz SHTIRJZUTRTSNK-IRLDBZIGSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000192746687 1036549034 /nfs/dbraw/zinc/54/90/34/1036549034.db2.gz SHTIRJZUTRTSNK-IRLDBZIGSA-N 1 3 343.559 3.528 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398206156 1036571476 /nfs/dbraw/zinc/57/14/76/1036571476.db2.gz QSIJUIIPHBWPNE-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398206156 1036571482 /nfs/dbraw/zinc/57/14/82/1036571482.db2.gz QSIJUIIPHBWPNE-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000310269936 1036797927 /nfs/dbraw/zinc/79/79/27/1036797927.db2.gz NCOIEAFSYOUODN-NJYVYQBISA-N 1 3 330.516 3.693 20 0 EHADHO C[N@H+]1CC=C(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000539547969 1036902069 /nfs/dbraw/zinc/90/20/69/1036902069.db2.gz YJERRFPOVVJISL-UHFFFAOYSA-N 1 3 338.499 3.521 20 0 EHADHO C[N@@H+]1CC=C(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000539547969 1036902086 /nfs/dbraw/zinc/90/20/86/1036902086.db2.gz YJERRFPOVVJISL-UHFFFAOYSA-N 1 3 338.499 3.521 20 0 EHADHO COCc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310895522 1036924140 /nfs/dbraw/zinc/92/41/40/1036924140.db2.gz AEQPVCQTCOVYNB-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310895522 1036924154 /nfs/dbraw/zinc/92/41/54/1036924154.db2.gz AEQPVCQTCOVYNB-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310895522 1036924166 /nfs/dbraw/zinc/92/41/66/1036924166.db2.gz AEQPVCQTCOVYNB-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccnc(Cl)c1 ZINC000162513191 1036932547 /nfs/dbraw/zinc/93/25/47/1036932547.db2.gz XWKQCQVNZDKHQX-CQSZACIVSA-N 1 3 333.863 3.526 20 0 EHADHO Cc1ccc(CNCC(C)(C)C[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000669996247 1036989894 /nfs/dbraw/zinc/98/98/94/1036989894.db2.gz ADVLAEZOIRNPMX-UHFFFAOYSA-N 1 3 340.515 3.607 20 0 EHADHO Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000643469000 1037020635 /nfs/dbraw/zinc/02/06/35/1037020635.db2.gz YGLPXAIORISTMC-SJBKTWHCSA-N 1 3 334.463 3.828 20 0 EHADHO CCCn1c2ccccc2nc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543863 1037097213 /nfs/dbraw/zinc/09/72/13/1037097213.db2.gz SZGWMNDIRWOSTA-ROUUACIJSA-N 1 3 340.515 3.658 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532498858 1037545705 /nfs/dbraw/zinc/54/57/05/1037545705.db2.gz RYBYXILRSUPZNO-TZIWHRDSSA-N 1 3 332.532 3.838 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532498858 1037545712 /nfs/dbraw/zinc/54/57/12/1037545712.db2.gz RYBYXILRSUPZNO-TZIWHRDSSA-N 1 3 332.532 3.838 20 0 EHADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OCc1cccs1 ZINC000491549073 1037549401 /nfs/dbraw/zinc/54/94/01/1037549401.db2.gz UVWSNJYIWXDDKQ-HNNXBMFYSA-N 1 3 348.512 3.623 20 0 EHADHO c1cnn(CCCCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000104959767 1037599902 /nfs/dbraw/zinc/59/99/02/1037599902.db2.gz HEJKBERPTAKZEB-HXUWFJFHSA-N 1 3 332.536 3.641 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000540170738 1037640078 /nfs/dbraw/zinc/64/00/78/1037640078.db2.gz VJCAUEPLLOTPGQ-OTWHNJEPSA-N 1 3 332.532 3.832 20 0 EHADHO CC(C)[C@H]1C[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653896 1037673328 /nfs/dbraw/zinc/67/33/28/1037673328.db2.gz BJWZLYHWPZOXEH-DUXKGJEZSA-N 1 3 330.516 3.962 20 0 EHADHO CC(C)[C@H]1C[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653896 1037673337 /nfs/dbraw/zinc/67/33/37/1037673337.db2.gz BJWZLYHWPZOXEH-DUXKGJEZSA-N 1 3 330.516 3.962 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H](C)CC[NH+](C)C)CC2 ZINC000493896097 1037716604 /nfs/dbraw/zinc/71/66/04/1037716604.db2.gz CURCJZPHIFMNPB-IUODEOHRSA-N 1 3 325.294 3.675 20 0 EHADHO C[C@H]1C[C@@H](NCCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078217 1037744250 /nfs/dbraw/zinc/74/42/50/1037744250.db2.gz ODCISYGFXMRUCJ-PXNSSMCTSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]1C[C@@H](NCCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078217 1037744262 /nfs/dbraw/zinc/74/42/62/1037744262.db2.gz ODCISYGFXMRUCJ-PXNSSMCTSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCCC[C@H]1C ZINC000463143621 1037791851 /nfs/dbraw/zinc/79/18/51/1037791851.db2.gz IGLVBKITZBWPMC-NXLVEIQXSA-N 1 3 343.559 3.892 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000539081457 1038675001 /nfs/dbraw/zinc/67/50/01/1038675001.db2.gz LBHZLYNINDCCFY-PXNSSMCTSA-N 1 3 344.499 3.702 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000539081457 1038675007 /nfs/dbraw/zinc/67/50/07/1038675007.db2.gz LBHZLYNINDCCFY-PXNSSMCTSA-N 1 3 344.499 3.702 20 0 EHADHO Cc1cc([C@@H](NCC2([NH+]3CCCC3)CCOCC2)C2CC2)ccc1F ZINC000539200520 1038726338 /nfs/dbraw/zinc/72/63/38/1038726338.db2.gz NMRMXESZCWUOEN-FQEVSTJZSA-N 1 3 346.490 3.820 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)c1ccccc1Cl ZINC000479853149 1038786345 /nfs/dbraw/zinc/78/63/45/1038786345.db2.gz OUVDHPLBHVVYSW-ATZDWAIDSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853149 1038786359 /nfs/dbraw/zinc/78/63/59/1038786359.db2.gz OUVDHPLBHVVYSW-ATZDWAIDSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853149 1038786371 /nfs/dbraw/zinc/78/63/71/1038786371.db2.gz OUVDHPLBHVVYSW-ATZDWAIDSA-N 1 3 337.939 3.653 20 0 EHADHO COc1cc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c(F)cn1 ZINC000554087572 1038896728 /nfs/dbraw/zinc/89/67/28/1038896728.db2.gz WRPJZROXVDPALC-GTPINHCMSA-N 1 3 349.494 3.923 20 0 EHADHO OC1(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000552063660 1038930402 /nfs/dbraw/zinc/93/04/02/1038930402.db2.gz HPJGIGLXXVOUOD-PWRODBHTSA-N 1 3 342.527 3.572 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)c1OC ZINC000552234886 1039099979 /nfs/dbraw/zinc/09/99/79/1039099979.db2.gz WEBWDQLMLWFUCT-RDJZCZTQSA-N 1 3 334.504 3.785 20 0 EHADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000311118941 1039519875 /nfs/dbraw/zinc/51/98/75/1039519875.db2.gz GQRZDMQGWVFREB-UNMCSNQZSA-N 1 3 338.495 3.612 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(Br)o2)C1 ZINC000480641072 1039799098 /nfs/dbraw/zinc/79/90/98/1039799098.db2.gz YKFSHWGLBBOZHT-ZIAGYGMSSA-N 1 3 343.309 3.890 20 0 EHADHO Cc1ccc2ncc(C[N@H+](Cc3ccccc3)C3CCN(C)CC3)n2c1 ZINC000554883477 1039904735 /nfs/dbraw/zinc/90/47/35/1039904735.db2.gz FHBKAHCPYKLWDF-UHFFFAOYSA-N 1 3 348.494 3.739 20 0 EHADHO Cc1ccc2ncc(C[N@@H+](Cc3ccccc3)C3CCN(C)CC3)n2c1 ZINC000554883477 1039904751 /nfs/dbraw/zinc/90/47/51/1039904751.db2.gz FHBKAHCPYKLWDF-UHFFFAOYSA-N 1 3 348.494 3.739 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786211 1040192390 /nfs/dbraw/zinc/19/23/90/1040192390.db2.gz LCFXSAZNBBIPLQ-MAODMQOUSA-N 1 3 328.500 3.576 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786211 1040192399 /nfs/dbraw/zinc/19/23/99/1040192399.db2.gz LCFXSAZNBBIPLQ-MAODMQOUSA-N 1 3 328.500 3.576 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C2 ZINC000490126788 1040364561 /nfs/dbraw/zinc/36/45/61/1040364561.db2.gz XZHYEEHJBNEEHM-LXGFNABISA-N 1 3 330.516 3.707 20 0 EHADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC000555510861 1040718583 /nfs/dbraw/zinc/71/85/83/1040718583.db2.gz FEQCKGPELOLXRD-MOPGFXCFSA-N 1 3 338.536 3.600 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCSC4)[C@H]3C2)cc1 ZINC000487562900 1040958157 /nfs/dbraw/zinc/95/81/57/1040958157.db2.gz TVFKFQXZCRCSMC-FYQPLNBISA-N 1 3 330.541 3.630 20 0 EHADHO CCOc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162880643 1041046535 /nfs/dbraw/zinc/04/65/35/1041046535.db2.gz NSVHTUNOCHZLDK-FGTMMUONSA-N 1 3 334.504 3.625 20 0 EHADHO Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000894135690 1041159162 /nfs/dbraw/zinc/15/91/62/1041159162.db2.gz ZIQBIRMKYWDLGC-HXUWFJFHSA-N 1 3 340.515 3.693 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759861922 1041221930 /nfs/dbraw/zinc/22/19/30/1041221930.db2.gz IKTIYVJLXOYFRN-SFHVURJKSA-N 1 3 342.886 3.565 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759861922 1041221943 /nfs/dbraw/zinc/22/19/43/1041221943.db2.gz IKTIYVJLXOYFRN-SFHVURJKSA-N 1 3 342.886 3.565 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731681 1041307017 /nfs/dbraw/zinc/30/70/17/1041307017.db2.gz WCBMQXCHEMLMCZ-IERDGZPVSA-N 1 3 336.479 3.718 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731681 1041307031 /nfs/dbraw/zinc/30/70/31/1041307031.db2.gz WCBMQXCHEMLMCZ-IERDGZPVSA-N 1 3 336.479 3.718 20 0 EHADHO Brc1c2ccccc2oc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000662273898 1042650506 /nfs/dbraw/zinc/65/05/06/1042650506.db2.gz QNRJYXNCXHTUPH-UHFFFAOYSA-N 1 3 349.272 3.771 20 0 EHADHO CC(C)c1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000663317527 1042674466 /nfs/dbraw/zinc/67/44/66/1042674466.db2.gz DLHXERKQYCHZGY-RTWAWAEBSA-N 1 3 330.516 3.668 20 0 EHADHO C[NH+](C)CCC[C@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662325395 1042685396 /nfs/dbraw/zinc/68/53/96/1042685396.db2.gz FPLFBCSRMKLELN-NRSPTQNISA-N 1 3 330.516 3.613 20 0 EHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925786951 1042978851 /nfs/dbraw/zinc/97/88/51/1042978851.db2.gz YCTDDSAAZJBUGT-JQWIXIFHSA-N 1 3 331.476 3.644 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000512184131 1043742447 /nfs/dbraw/zinc/74/24/47/1043742447.db2.gz WWNGUJNFXUESSD-KDURUIRLSA-N 1 3 330.516 3.625 20 0 EHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000337881485 1044514031 /nfs/dbraw/zinc/51/40/31/1044514031.db2.gz YMPQTQMQTNKBTK-IBGZPJMESA-N 1 3 328.431 3.673 20 0 EHADHO CCc1nc2cc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)ccc2n1C1CC1 ZINC000623515586 1126973485 /nfs/dbraw/zinc/97/34/85/1126973485.db2.gz HKJCKNXQEAKRHP-MRXNPFEDSA-N 1 3 340.515 3.896 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[NH+]2CCCCC2)cc1 ZINC000178410317 1127016954 /nfs/dbraw/zinc/01/69/54/1127016954.db2.gz OAENWOKDTVACDL-QGZVFWFLSA-N 1 3 326.488 3.707 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000178410317 1127016958 /nfs/dbraw/zinc/01/69/58/1127016958.db2.gz OAENWOKDTVACDL-QGZVFWFLSA-N 1 3 326.488 3.707 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623860833 1127200338 /nfs/dbraw/zinc/20/03/38/1127200338.db2.gz GTEDQALLPPVYCN-KBPBESRZSA-N 1 3 337.305 3.892 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623860833 1127200341 /nfs/dbraw/zinc/20/03/41/1127200341.db2.gz GTEDQALLPPVYCN-KBPBESRZSA-N 1 3 337.305 3.892 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624121796 1127256026 /nfs/dbraw/zinc/25/60/26/1127256026.db2.gz DFAJYFUMVMKESU-KBXCAEBGSA-N 1 3 331.460 3.552 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Br)cs1 ZINC000624123166 1127256448 /nfs/dbraw/zinc/25/64/48/1127256448.db2.gz GZTIEKPIRNDGES-VXGBXAGGSA-N 1 3 331.323 3.893 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000182191378 1127316042 /nfs/dbraw/zinc/31/60/42/1127316042.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000182191378 1127316046 /nfs/dbraw/zinc/31/60/46/1127316046.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000182191378 1127316050 /nfs/dbraw/zinc/31/60/50/1127316050.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000182191378 1127316055 /nfs/dbraw/zinc/31/60/55/1127316055.db2.gz SKKXQJYPEVADEB-JVSBHGNQSA-N 1 3 332.532 3.532 20 0 EHADHO C[C@@H](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000184333199 1127402053 /nfs/dbraw/zinc/40/20/53/1127402053.db2.gz VQAVPQLGGMNAQJ-AOCRQIFASA-N 1 3 338.536 3.741 20 0 EHADHO COc1ccc([C@@H]2C[C@@H]([NH+]3C(C)(C)CC(N)CC3(C)C)CCO2)cc1 ZINC001168591178 1128177122 /nfs/dbraw/zinc/17/71/22/1128177122.db2.gz UCYYRZDTMPFSEW-HKUYNNGSSA-N 1 3 346.515 3.896 20 0 EHADHO Cc1nc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000671742074 1128180715 /nfs/dbraw/zinc/18/07/15/1128180715.db2.gz XVHKODSXNUXNJX-UHFFFAOYSA-N 1 3 329.513 3.984 20 0 EHADHO Cc1nc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000671742074 1128180717 /nfs/dbraw/zinc/18/07/17/1128180717.db2.gz XVHKODSXNUXNJX-UHFFFAOYSA-N 1 3 329.513 3.984 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000069833351 1128292771 /nfs/dbraw/zinc/29/27/71/1128292771.db2.gz NQQXVLKIVMUPJX-HUUCEWRRSA-N 1 3 348.874 3.832 20 0 EHADHO CN(C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000156143237 1128674789 /nfs/dbraw/zinc/67/47/89/1128674789.db2.gz SGVCCFBGLXTLDB-NRFANRHFSA-N 1 3 329.532 3.676 20 0 EHADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000251696943 1128797482 /nfs/dbraw/zinc/79/74/82/1128797482.db2.gz MORRPCIAMGFNEI-WHOFXGATSA-N 1 3 341.293 3.626 20 0 EHADHO c1cc2c(cccc2C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[nH]1 ZINC000236738069 1121462290 /nfs/dbraw/zinc/46/22/90/1121462290.db2.gz QNOLMILKYSQKRF-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2c(cccc2CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000236738069 1121462292 /nfs/dbraw/zinc/46/22/92/1121462292.db2.gz QNOLMILKYSQKRF-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2c(cccc2CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000236738069 1121462295 /nfs/dbraw/zinc/46/22/95/1121462295.db2.gz QNOLMILKYSQKRF-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO C[C@H]1CCC[C@](C[NH2+]C2CCN(Cc3ccccc3)CC2)(N(C)C)C1 ZINC000237701597 1121492911 /nfs/dbraw/zinc/49/29/11/1121492911.db2.gz IFQUHNUUASCCBF-UGKGYDQZSA-N 1 3 343.559 3.751 20 0 EHADHO CN(C)CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000556094029 1122809217 /nfs/dbraw/zinc/80/92/17/1122809217.db2.gz ONFCPBFQSAKMEZ-ZCNNSNEGSA-N 1 3 331.548 3.778 20 0 EHADHO C[C@H](NCCC1CC[NH+](C)CC1)c1sccc1Br ZINC000130615938 1122974386 /nfs/dbraw/zinc/97/43/86/1122974386.db2.gz OJQIJIFJRRTWQH-NSHDSACASA-N 1 3 331.323 3.893 20 0 EHADHO CC(C)Cc1cccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000556876282 1123157996 /nfs/dbraw/zinc/15/79/96/1123157996.db2.gz OFZCVFWJMACDDK-GOSISDBHSA-N 1 3 331.548 3.562 20 0 EHADHO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000556924589 1123212637 /nfs/dbraw/zinc/21/26/37/1123212637.db2.gz UHQKXQAMWZCXBD-ZBFHGGJFSA-N 1 3 326.406 3.829 20 0 EHADHO Cc1nccn1CCCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347476675 1123300454 /nfs/dbraw/zinc/30/04/54/1123300454.db2.gz OXIFUKGWIKLIHV-UHFFFAOYSA-N 1 3 332.536 3.702 20 0 EHADHO COc1c(C)cc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000920178270 1123326391 /nfs/dbraw/zinc/32/63/91/1123326391.db2.gz ZWWLZHUTNDBCCH-UHFFFAOYSA-N 1 3 338.495 3.850 20 0 EHADHO COc1c(C)cc(CNCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000920178270 1123326396 /nfs/dbraw/zinc/32/63/96/1123326396.db2.gz ZWWLZHUTNDBCCH-UHFFFAOYSA-N 1 3 338.495 3.850 20 0 EHADHO Cc1cc(Cl)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000136210995 1123677587 /nfs/dbraw/zinc/67/75/87/1123677587.db2.gz SRHFNKLKINJQSF-UHFFFAOYSA-N 1 3 336.907 3.725 20 0 EHADHO COc1ccc([C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000245955208 1123989689 /nfs/dbraw/zinc/98/96/89/1123989689.db2.gz CMHJGSPKEQTCNR-FVJLSDCUSA-N 1 3 346.515 3.625 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000246081097 1124015528 /nfs/dbraw/zinc/01/55/28/1124015528.db2.gz FUKKSSNHYKOZQO-SJLPKXTDSA-N 1 3 334.504 3.694 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064537 1124585561 /nfs/dbraw/zinc/58/55/61/1124585561.db2.gz NZUGPZGTKVBAJK-YAJHFMINSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064537 1124585566 /nfs/dbraw/zinc/58/55/66/1124585566.db2.gz NZUGPZGTKVBAJK-YAJHFMINSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064537 1124585574 /nfs/dbraw/zinc/58/55/74/1124585574.db2.gz NZUGPZGTKVBAJK-YAJHFMINSA-N 1 3 349.950 3.795 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NC/C(C)=C/c2ccccc2)[C@@H](C)C1 ZINC000249460480 1124757540 /nfs/dbraw/zinc/75/75/40/1124757540.db2.gz ZFFTVWGTRFXQFW-VNJZPOOUSA-N 1 3 330.516 3.817 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NC/C(C)=C/c2ccccc2)[C@@H](C)C1 ZINC000249460480 1124757545 /nfs/dbraw/zinc/75/75/45/1124757545.db2.gz ZFFTVWGTRFXQFW-VNJZPOOUSA-N 1 3 330.516 3.817 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000249476011 1124758254 /nfs/dbraw/zinc/75/82/54/1124758254.db2.gz JOPPVYCZLVMSIN-ZBFHGGJFSA-N 1 3 339.321 3.702 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000249476007 1124758502 /nfs/dbraw/zinc/75/85/02/1124758502.db2.gz JOPPVYCZLVMSIN-GDBMZVCRSA-N 1 3 339.321 3.702 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2ccncc2F)C[N@@H+]1Cc1ccccc1 ZINC000449206155 1124968839 /nfs/dbraw/zinc/96/88/39/1124968839.db2.gz AALOTFOWRRRFST-AEFFLSMTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206155 1124968843 /nfs/dbraw/zinc/96/88/43/1124968843.db2.gz AALOTFOWRRRFST-AEFFLSMTSA-N 1 3 327.447 3.611 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091285043 1124973564 /nfs/dbraw/zinc/97/35/64/1124973564.db2.gz SPUGEQYJYQNNQJ-OAQYLSRUSA-N 1 3 347.522 3.674 20 0 EHADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091368245 1124978634 /nfs/dbraw/zinc/97/86/34/1124978634.db2.gz KIWVBSXPXWMSRQ-QGZVFWFLSA-N 1 3 342.531 3.982 20 0 EHADHO COC(=O)C1(C)CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001168772433 1131591985 /nfs/dbraw/zinc/59/19/85/1131591985.db2.gz KEGBRMWEPHPAJJ-MPQSDHOMSA-N 1 3 348.531 3.519 20 0 EHADHO CC(C)OCC[C@@H](C)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001172436818 1131741302 /nfs/dbraw/zinc/74/13/02/1131741302.db2.gz IYLDZTUJTIBZGZ-MRXNPFEDSA-N 1 3 338.923 3.879 20 0 EHADHO COc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])[C@@H](F)CC3)s2)cc1 ZINC001206175727 1131841546 /nfs/dbraw/zinc/84/15/46/1131841546.db2.gz XNGPUCBMCNDKJL-DLBZAZTESA-N 1 3 334.460 3.685 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042776 1131940418 /nfs/dbraw/zinc/94/04/18/1131940418.db2.gz KRRLWHVAAGIIHW-SFHVURJKSA-N 1 3 330.516 3.823 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042776 1131940421 /nfs/dbraw/zinc/94/04/21/1131940421.db2.gz KRRLWHVAAGIIHW-SFHVURJKSA-N 1 3 330.516 3.823 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042775 1131940790 /nfs/dbraw/zinc/94/07/90/1131940790.db2.gz KRRLWHVAAGIIHW-GOSISDBHSA-N 1 3 330.516 3.823 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042775 1131940792 /nfs/dbraw/zinc/94/07/92/1131940792.db2.gz KRRLWHVAAGIIHW-GOSISDBHSA-N 1 3 330.516 3.823 20 0 EHADHO [NH3+]C1(c2ccc(F)cc2)CCN(C2CCC3(CCOCC3)CC2)CC1 ZINC001173045449 1131941835 /nfs/dbraw/zinc/94/18/35/1131941835.db2.gz VXJVTCVBISDWHS-UHFFFAOYSA-N 1 3 346.490 3.815 20 0 EHADHO CCc1ccc(C[C@H](C)[NH+]2CCC(N3CCC(OC)CC3)CC2)cc1 ZINC001173242534 1132029930 /nfs/dbraw/zinc/02/99/30/1132029930.db2.gz FKCJKDITHLKDHH-SFHVURJKSA-N 1 3 344.543 3.755 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)C2 ZINC001169090242 1132660919 /nfs/dbraw/zinc/66/09/19/1132660919.db2.gz IYWSWCJNUBWPPO-WKCHPHFGSA-N 1 3 336.479 3.980 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118324 1132664223 /nfs/dbraw/zinc/66/42/23/1132664223.db2.gz HJAJZMIYDQENRI-WOZUAGRISA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118324 1132664227 /nfs/dbraw/zinc/66/42/27/1132664227.db2.gz HJAJZMIYDQENRI-WOZUAGRISA-N 1 3 346.490 3.898 20 0 EHADHO CN1CC[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444648 1132672801 /nfs/dbraw/zinc/67/28/01/1132672801.db2.gz LTNZAFYXFNWIQN-PXNSSMCTSA-N 1 3 330.516 3.779 20 0 EHADHO CN1CC[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444648 1132672805 /nfs/dbraw/zinc/67/28/05/1132672805.db2.gz LTNZAFYXFNWIQN-PXNSSMCTSA-N 1 3 330.516 3.779 20 0 EHADHO CC(C)C1=[NH+]CCc2ccc(N3CCCc4ccc(CN)nc43)cc21 ZINC001169591478 1132789824 /nfs/dbraw/zinc/78/98/24/1132789824.db2.gz XVGHJJHMSOOEFQ-UHFFFAOYSA-N 1 3 334.467 3.626 20 0 EHADHO CC(C)C1=NCCc2ccc(N3CCCc4ccc(C[NH3+])nc43)cc21 ZINC001169591478 1132789829 /nfs/dbraw/zinc/78/98/29/1132789829.db2.gz XVGHJJHMSOOEFQ-UHFFFAOYSA-N 1 3 334.467 3.626 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(C)(C)CC3)cc2)CC1 ZINC001177295199 1133048245 /nfs/dbraw/zinc/04/82/45/1133048245.db2.gz ZEZFXHPTDCCVCB-UHFFFAOYSA-N 1 3 343.559 3.883 20 0 EHADHO Cc1ccc2ncc(C[NH2+]CC[C@@H](C)N(C)Cc3ccccc3)n2c1 ZINC001177961289 1133122217 /nfs/dbraw/zinc/12/22/17/1133122217.db2.gz JDQUVMPYNAZRIJ-GOSISDBHSA-N 1 3 336.483 3.643 20 0 EHADHO COc1ccc2c(NCCCCN3C[C@@H](C)O[C@H](C)C3)cc[nH+]c2c1 ZINC000768536125 1133152055 /nfs/dbraw/zinc/15/20/55/1133152055.db2.gz SJMGGMRJFJRYQK-HZPDHXFCSA-N 1 3 343.471 3.545 20 0 EHADHO C[C@@]1(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697163 1133518424 /nfs/dbraw/zinc/51/84/24/1133518424.db2.gz GLWDHDKERKIBHB-LEWJYISDSA-N 1 3 328.500 3.544 20 0 EHADHO C[C@@]1(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697163 1133518428 /nfs/dbraw/zinc/51/84/28/1133518428.db2.gz GLWDHDKERKIBHB-LEWJYISDSA-N 1 3 328.500 3.544 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1CN1CCCCC1 ZINC000775390445 1134705383 /nfs/dbraw/zinc/70/53/83/1134705383.db2.gz NHNCWMRFHWGCLK-LAUBAEHRSA-N 1 3 346.515 3.758 20 0 EHADHO CC[C@H]1C[C@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CCO1 ZINC001170207874 1134706910 /nfs/dbraw/zinc/70/69/10/1134706910.db2.gz NHSXZEKIINUKOQ-MSOLQXFVSA-N 1 3 339.483 3.623 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000775635154 1135365207 /nfs/dbraw/zinc/36/52/07/1135365207.db2.gz YLTJQXABLMVOKJ-ZACQAIPSSA-N 1 3 329.488 3.708 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)ccc1OC ZINC000810260011 1135944208 /nfs/dbraw/zinc/94/42/08/1135944208.db2.gz ZTJGEGWMJIDDKQ-UZLBHIALSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1CN1CCCCC1 ZINC000810256515 1135949163 /nfs/dbraw/zinc/94/91/63/1135949163.db2.gz BGFKZTMRETYWPE-BRWVUGGUSA-N 1 3 334.504 3.755 20 0 EHADHO C[C@@H](CC(=O)Nc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001200864886 1135961354 /nfs/dbraw/zinc/96/13/54/1135961354.db2.gz ZHSKURJOBFJDAH-KRWDZBQOSA-N 1 3 343.515 3.790 20 0 EHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001202348420 1136127472 /nfs/dbraw/zinc/12/74/72/1136127472.db2.gz NSRLWCNTMOTXLQ-USXIJHARSA-N 1 3 341.421 3.566 20 0 EHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001202348420 1136127473 /nfs/dbraw/zinc/12/74/73/1136127473.db2.gz NSRLWCNTMOTXLQ-USXIJHARSA-N 1 3 341.421 3.566 20 0 EHADHO CCN1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000813880220 1136372232 /nfs/dbraw/zinc/37/22/32/1136372232.db2.gz CXGZIZVOEPEDMP-FRIKZZABSA-N 1 3 341.543 3.646 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc2ccccc21 ZINC000854221190 1136599236 /nfs/dbraw/zinc/59/92/36/1136599236.db2.gz IKBHGTIURDFXSR-FNAHDJPLSA-N 1 3 338.495 3.774 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000854231410 1136599967 /nfs/dbraw/zinc/59/99/67/1136599967.db2.gz HLLPIBUDQCKJEA-KBPBESRZSA-N 1 3 325.456 3.586 20 0 EHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000173329793 1136766396 /nfs/dbraw/zinc/76/63/96/1136766396.db2.gz ABYLRVJBYBCTDQ-AWEZNQCLSA-N 1 3 334.410 3.756 20 0 EHADHO CCC[C@H](C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559519 1136794940 /nfs/dbraw/zinc/79/49/40/1136794940.db2.gz PLRCESRQHNXABE-PXNSSMCTSA-N 1 3 333.520 3.811 20 0 EHADHO CCC[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559519 1136794943 /nfs/dbraw/zinc/79/49/43/1136794943.db2.gz PLRCESRQHNXABE-PXNSSMCTSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604542 1136798007 /nfs/dbraw/zinc/79/80/07/1136798007.db2.gz OWNCTVCXUYEDCL-YLJYHZDGSA-N 1 3 333.520 3.810 20 0 EHADHO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604542 1136798009 /nfs/dbraw/zinc/79/80/09/1136798009.db2.gz OWNCTVCXUYEDCL-YLJYHZDGSA-N 1 3 333.520 3.810 20 0 EHADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000817889991 1136843256 /nfs/dbraw/zinc/84/32/56/1136843256.db2.gz RMTBDHNNALADQI-YADHBBJMSA-N 1 3 335.495 3.954 20 0 EHADHO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1SC(F)F ZINC000817969317 1136853749 /nfs/dbraw/zinc/85/37/49/1136853749.db2.gz BJLJQRLYHLJMHD-WCFLWFBJSA-N 1 3 330.444 3.930 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC000817971184 1136853925 /nfs/dbraw/zinc/85/39/25/1136853925.db2.gz KGKZUDYFIKGTRO-QGZBPCDMSA-N 1 3 330.516 3.670 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858497 1136914336 /nfs/dbraw/zinc/91/43/36/1136914336.db2.gz NRONLRXBEVRMPT-IMFGXOCKSA-N 1 3 338.499 3.677 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858497 1136914339 /nfs/dbraw/zinc/91/43/39/1136914339.db2.gz NRONLRXBEVRMPT-IMFGXOCKSA-N 1 3 338.499 3.677 20 0 EHADHO c1n[nH]c2c1CCC[C@H]2NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000857866356 1136915448 /nfs/dbraw/zinc/91/54/48/1136915448.db2.gz CBXGWYCOTMRYJL-AZUAARDMSA-N 1 3 338.499 3.679 20 0 EHADHO c1n[nH]c2c1CCC[C@H]2NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000857866356 1136915451 /nfs/dbraw/zinc/91/54/51/1136915451.db2.gz CBXGWYCOTMRYJL-AZUAARDMSA-N 1 3 338.499 3.679 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819283029 1136931373 /nfs/dbraw/zinc/93/13/73/1136931373.db2.gz FRDWUOXPCSBILS-FGZHOGPDSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283029 1136931376 /nfs/dbraw/zinc/93/13/76/1136931376.db2.gz FRDWUOXPCSBILS-FGZHOGPDSA-N 1 3 338.495 3.530 20 0 EHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001170968253 1137032712 /nfs/dbraw/zinc/03/27/12/1137032712.db2.gz CEXWSDLYXLGDPY-LJQANCHMSA-N 1 3 330.491 3.927 20 0 EHADHO Fc1cccc2c1C[C@H](NC1CC[NH+](CC3CCCC3)CC1)CC2 ZINC001170968253 1137032714 /nfs/dbraw/zinc/03/27/14/1137032714.db2.gz CEXWSDLYXLGDPY-LJQANCHMSA-N 1 3 330.491 3.927 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccnc(Cl)c2F)C1 ZINC000823659703 1137108771 /nfs/dbraw/zinc/10/87/71/1137108771.db2.gz NYHPOJSVFFVPCF-OKILXGFUSA-N 1 3 327.875 3.722 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccnc(Cl)c2F)C1 ZINC000823659703 1137108773 /nfs/dbraw/zinc/10/87/73/1137108773.db2.gz NYHPOJSVFFVPCF-OKILXGFUSA-N 1 3 327.875 3.722 20 0 EHADHO C[N@@H+]1CC[C@H](NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367769 1137140610 /nfs/dbraw/zinc/14/06/10/1137140610.db2.gz UXAGAZNDUUNOOG-XJKSGUPXSA-N 1 3 345.314 3.879 20 0 EHADHO C[N@H+]1CC[C@H](NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367769 1137140611 /nfs/dbraw/zinc/14/06/11/1137140611.db2.gz UXAGAZNDUUNOOG-XJKSGUPXSA-N 1 3 345.314 3.879 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(O)cc3C(F)(F)F)CC2)CC1 ZINC001144390967 1137280973 /nfs/dbraw/zinc/28/09/73/1137280973.db2.gz CITCQEPGZLWYPV-UHFFFAOYSA-N 1 3 342.405 3.719 20 0 EHADHO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000866590208 1137366995 /nfs/dbraw/zinc/36/69/95/1137366995.db2.gz PEEUTQFLDFXCAB-IBGZPJMESA-N 1 3 335.923 3.503 20 0 EHADHO C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716629463 1137487911 /nfs/dbraw/zinc/48/79/11/1137487911.db2.gz YZLPSCPACALVTR-HQMSXXKGSA-N 1 3 335.495 3.655 20 0 EHADHO CN1C(C)(C)CC([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC1(C)C ZINC001171622997 1137500970 /nfs/dbraw/zinc/50/09/70/1137500970.db2.gz GHEGCXQSWHIYHA-UHFFFAOYSA-N 1 3 341.540 3.531 20 0 EHADHO C[NH+]1C(C)(C)CC(NC(C)(C)CNC(=O)OC(C)(C)C)CC1(C)C ZINC001171622997 1137500972 /nfs/dbraw/zinc/50/09/72/1137500972.db2.gz GHEGCXQSWHIYHA-UHFFFAOYSA-N 1 3 341.540 3.531 20 0 EHADHO C[NH+]1C(C)(C)CC(NC[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC001171624110 1137501409 /nfs/dbraw/zinc/50/14/09/1137501409.db2.gz MYVCKZUKULDNKG-LJQANCHMSA-N 1 3 329.532 3.502 20 0 EHADHO Fc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC001172077648 1137531047 /nfs/dbraw/zinc/53/10/47/1137531047.db2.gz UVNDHVLGFPLTOJ-OWZKRDHZSA-N 1 3 339.458 3.896 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106497 1137536785 /nfs/dbraw/zinc/53/67/85/1137536785.db2.gz POKOHPIJGZBVLL-WEMPKCCASA-N 1 3 338.495 3.868 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106497 1137536787 /nfs/dbraw/zinc/53/67/87/1137536787.db2.gz POKOHPIJGZBVLL-WEMPKCCASA-N 1 3 338.495 3.868 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112968 1137537445 /nfs/dbraw/zinc/53/74/45/1137537445.db2.gz HEHLHXKRDUXSJP-XAPVIXHLSA-N 1 3 335.495 3.908 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112968 1137537447 /nfs/dbraw/zinc/53/74/47/1137537447.db2.gz HEHLHXKRDUXSJP-XAPVIXHLSA-N 1 3 335.495 3.908 20 0 EHADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CO1 ZINC001172280049 1137543928 /nfs/dbraw/zinc/54/39/28/1137543928.db2.gz RWDBNYBBGCLIGE-SFHVURJKSA-N 1 3 336.907 3.709 20 0 EHADHO COCCC[NH+]1CCC(N2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001172255333 1137544973 /nfs/dbraw/zinc/54/49/73/1137544973.db2.gz OKLYVSRNFAHAQO-UHFFFAOYSA-N 1 3 334.479 3.506 20 0 EHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172283757 1137547881 /nfs/dbraw/zinc/54/78/81/1137547881.db2.gz LDNJXFWTTGZDEF-FUHWJXTLSA-N 1 3 332.488 3.524 20 0 EHADHO COc1ccc(CC2(N)CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)cc1 ZINC001172371004 1137555307 /nfs/dbraw/zinc/55/53/07/1137555307.db2.gz SJHRZUSMGAQAJE-ZIFCJYIRSA-N 1 3 330.516 3.856 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529936 1137679943 /nfs/dbraw/zinc/67/99/43/1137679943.db2.gz ABFXNWMHZZLQHK-CRAIPNDOSA-N 1 3 347.503 3.806 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529936 1137679944 /nfs/dbraw/zinc/67/99/44/1137679944.db2.gz ABFXNWMHZZLQHK-CRAIPNDOSA-N 1 3 347.503 3.806 20 0 EHADHO Cc1ccc2c(c1)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331664101 1137916321 /nfs/dbraw/zinc/91/63/21/1137916321.db2.gz YXIATXJCINNBNP-IEBWSBKVSA-N 1 3 329.488 3.599 20 0 EHADHO Cc1ccc2c(c1)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331664101 1137916322 /nfs/dbraw/zinc/91/63/22/1137916322.db2.gz YXIATXJCINNBNP-IEBWSBKVSA-N 1 3 329.488 3.599 20 0 EHADHO Cc1ccccc1NC(=O)C[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120026003 1137946051 /nfs/dbraw/zinc/94/60/51/1137946051.db2.gz UGFWSYCCXXUGRP-OAHLLOKOSA-N 1 3 331.504 3.611 20 0 EHADHO CCC(CC)(CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534902 1138092001 /nfs/dbraw/zinc/09/20/01/1138092001.db2.gz RAEGEBCFJLYDAW-ACRUOGEOSA-N 1 3 344.543 3.818 20 0 EHADHO OCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC1 ZINC000886534983 1138092210 /nfs/dbraw/zinc/09/22/10/1138092210.db2.gz SEXGYRUJLDNMCS-HBMCJLEFSA-N 1 3 342.527 3.572 20 0 EHADHO C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC[C@@H]1O ZINC000886537278 1138092362 /nfs/dbraw/zinc/09/23/62/1138092362.db2.gz XPSRDGPMCLARKZ-LILSUDLASA-N 1 3 342.527 3.570 20 0 EHADHO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C)CC2)[nH]c1C ZINC000886669713 1138112116 /nfs/dbraw/zinc/11/21/16/1138112116.db2.gz CMYYHYPHLCFSEC-INIZCTEOSA-N 1 3 340.471 3.542 20 0 EHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000090936930 1138214242 /nfs/dbraw/zinc/21/42/42/1138214242.db2.gz NKJVIJLRBASFJO-CQSZACIVSA-N 1 3 333.863 3.526 20 0 EHADHO CC(C)CCOc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000178522860 1139701272 /nfs/dbraw/zinc/70/12/72/1139701272.db2.gz ISIIWHOBVGUVEN-SFHVURJKSA-N 1 3 348.531 3.609 20 0 EHADHO C[C@@H]([NH2+]CCCOCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185744128 1140167859 /nfs/dbraw/zinc/16/78/59/1140167859.db2.gz HRGNDFMYODXMCA-QUCCMNQESA-N 1 3 330.516 3.836 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000268809961 1140997095 /nfs/dbraw/zinc/99/70/95/1140997095.db2.gz AUKJGUPIYWUBGV-INIZCTEOSA-N 1 3 338.499 3.848 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000268809961 1140997101 /nfs/dbraw/zinc/99/71/01/1140997101.db2.gz AUKJGUPIYWUBGV-INIZCTEOSA-N 1 3 338.499 3.848 20 0 EHADHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268891077 1141019330 /nfs/dbraw/zinc/01/93/30/1141019330.db2.gz MRYQDOZDTHSGRT-GHTZIAJQSA-N 1 3 340.515 3.614 20 0 EHADHO CCc1noc(CC)c1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000269125668 1141070039 /nfs/dbraw/zinc/07/00/39/1141070039.db2.gz YMIAPFPJDBVHAR-WMZOPIPTSA-N 1 3 341.499 3.942 20 0 EHADHO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270868264 1141278301 /nfs/dbraw/zinc/27/83/01/1141278301.db2.gz IUSXTQFFIRYVIG-NRFANRHFSA-N 1 3 347.522 3.767 20 0 EHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1c(C)cc(OC)nc1C ZINC000349006660 1141621177 /nfs/dbraw/zinc/62/11/77/1141621177.db2.gz LTUXLZKIERSZTC-UHFFFAOYSA-N 1 3 341.499 3.791 20 0 EHADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(CC(C)C)CC2)nc1 ZINC001164657527 719339655 /nfs/dbraw/zinc/33/96/55/719339655.db2.gz PTWWGFILPGSSDC-FQEVSTJZSA-N 1 3 344.547 3.797 20 0 EHADHO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(CC(C)C)CC2)nc1 ZINC001164657527 719339658 /nfs/dbraw/zinc/33/96/58/719339658.db2.gz PTWWGFILPGSSDC-FQEVSTJZSA-N 1 3 344.547 3.797 20 0 EHADHO CCOc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000537971570 1032072910 /nfs/dbraw/zinc/07/29/10/1032072910.db2.gz WXSCVOMOQNWXBS-BZSNNMDCSA-N 1 3 334.504 3.625 20 0 EHADHO Cc1cc(C)c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476576 1032073613 /nfs/dbraw/zinc/07/36/13/1032073613.db2.gz UHRBEBYPBHCONF-IRLDBZIGSA-N 1 3 336.479 3.957 20 0 EHADHO COCCSc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000459411629 1032079988 /nfs/dbraw/zinc/07/99/88/1032079988.db2.gz QPVBEAODHUQFBW-OAHLLOKOSA-N 1 3 334.529 3.703 20 0 EHADHO CC1(C)[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@H]1OCc1ccccc1 ZINC000643548419 1014512496 /nfs/dbraw/zinc/51/24/96/1014512496.db2.gz PCIQXNLQRVURQL-GUDVDZBRSA-N 1 3 328.500 3.635 20 0 EHADHO Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)CC2 ZINC000643547557 1014512674 /nfs/dbraw/zinc/51/26/74/1014512674.db2.gz GYFFKRDXBNDTNI-GJZGRUSLSA-N 1 3 349.316 3.571 20 0 EHADHO C[C@@H]1CSCCN1Cc1ccccc1C[N@@H+]1CCSC[C@H]1C ZINC000343731398 1032096170 /nfs/dbraw/zinc/09/61/70/1032096170.db2.gz BJRJKZQGEUEUBE-HZPDHXFCSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@@H]1CSCCN1Cc1ccccc1C[N@H+]1CCSC[C@H]1C ZINC000343731398 1032096181 /nfs/dbraw/zinc/09/61/81/1032096181.db2.gz BJRJKZQGEUEUBE-HZPDHXFCSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093461 1014988066 /nfs/dbraw/zinc/98/80/66/1014988066.db2.gz QEFCOJPUWURGBF-YDHLFZDLSA-N 1 3 330.394 3.761 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093461 1014988073 /nfs/dbraw/zinc/98/80/73/1014988073.db2.gz QEFCOJPUWURGBF-YDHLFZDLSA-N 1 3 330.394 3.761 20 0 EHADHO CCc1nc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000274882434 1015566425 /nfs/dbraw/zinc/56/64/25/1015566425.db2.gz HVEYJGBEAVPTNF-FUHWJXTLSA-N 1 3 343.540 3.748 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2COC3(CCC3)C2)C1 ZINC000657838042 1032125802 /nfs/dbraw/zinc/12/58/02/1032125802.db2.gz NBRPRGAKEXLEIU-FXAWDEMLSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2COC3(CCC3)C2)C1 ZINC000657838042 1032125808 /nfs/dbraw/zinc/12/58/08/1032125808.db2.gz NBRPRGAKEXLEIU-FXAWDEMLSA-N 1 3 328.500 3.720 20 0 EHADHO Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000178078507 1016518210 /nfs/dbraw/zinc/51/82/10/1016518210.db2.gz AAEBSVMFULMGRK-FAXKSRBJSA-N 1 3 338.499 3.575 20 0 EHADHO Cc1nc2ccccn2c1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311514601 1016800248 /nfs/dbraw/zinc/80/02/48/1016800248.db2.gz HZOSZNQNFNRNQX-XLIONFOSSA-N 1 3 348.494 3.643 20 0 EHADHO C/C(Cl)=C\CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000528371392 1032205837 /nfs/dbraw/zinc/20/58/37/1032205837.db2.gz DDUROYNIIJONIS-NXNKFBBFSA-N 1 3 336.907 3.506 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCSCC(F)(F)F)CC2)C1 ZINC000536833931 1032329088 /nfs/dbraw/zinc/32/90/88/1032329088.db2.gz QNNQOIWQPQFSRS-ZFWWWQNUSA-N 1 3 338.483 3.915 20 0 EHADHO FC(F)(F)[C@@H]1CC[N@H+](CCCN2CCCCC2)CC12CCOCC2 ZINC000459653892 1032377037 /nfs/dbraw/zinc/37/70/37/1032377037.db2.gz DVXNUXDEWVDGCB-MRXNPFEDSA-N 1 3 348.453 3.543 20 0 EHADHO FC(F)(F)[C@@H]1CC[N@@H+](CCCN2CCCCC2)CC12CCOCC2 ZINC000459653892 1032377046 /nfs/dbraw/zinc/37/70/46/1032377046.db2.gz DVXNUXDEWVDGCB-MRXNPFEDSA-N 1 3 348.453 3.543 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000449342128 1032457412 /nfs/dbraw/zinc/45/74/12/1032457412.db2.gz ZEOHGTNERLDNEG-IRXDYDNUSA-N 1 3 339.483 3.533 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc([S@@](C)=O)cc2)c1 ZINC000085306377 1032472330 /nfs/dbraw/zinc/47/23/30/1032472330.db2.gz LWGMPWHAQHMIQS-DEOSSOPVSA-N 1 3 344.524 3.554 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc([S@@](C)=O)cc2)c1 ZINC000085306377 1032472338 /nfs/dbraw/zinc/47/23/38/1032472338.db2.gz LWGMPWHAQHMIQS-DEOSSOPVSA-N 1 3 344.524 3.554 20 0 EHADHO COCCSc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000537105173 1032523022 /nfs/dbraw/zinc/52/30/22/1032523022.db2.gz SBTJUTBDNBLXOY-FUHWJXTLSA-N 1 3 336.545 3.950 20 0 EHADHO CC(C)Oc1cccc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655690841 1017398935 /nfs/dbraw/zinc/39/89/35/1017398935.db2.gz MBFPRJWDNHDBQQ-LAUBAEHRSA-N 1 3 346.515 3.768 20 0 EHADHO C[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000513099004 1019016781 /nfs/dbraw/zinc/01/67/81/1019016781.db2.gz ONSFNGAMJFZRKO-UNMCSNQZSA-N 1 3 343.559 3.753 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560827 1032809645 /nfs/dbraw/zinc/80/96/45/1032809645.db2.gz PYGCWPLCBYCIOA-FUDCBSFHSA-N 1 3 343.298 3.976 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560827 1032809651 /nfs/dbraw/zinc/80/96/51/1032809651.db2.gz PYGCWPLCBYCIOA-FUDCBSFHSA-N 1 3 343.298 3.976 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557823 1019331698 /nfs/dbraw/zinc/33/16/98/1019331698.db2.gz OKVBXAZPYMDYPG-LLGFUMIMSA-N 1 3 348.494 3.844 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557823 1019331712 /nfs/dbraw/zinc/33/17/12/1019331712.db2.gz OKVBXAZPYMDYPG-LLGFUMIMSA-N 1 3 348.494 3.844 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3)CC2(C)C)CC1 ZINC000932906350 1019364554 /nfs/dbraw/zinc/36/45/54/1019364554.db2.gz WXLJGWDFPVAGFN-NRFANRHFSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](c3ccccc3)CC2(C)C)CC1 ZINC000932906350 1019364569 /nfs/dbraw/zinc/36/45/69/1019364569.db2.gz WXLJGWDFPVAGFN-NRFANRHFSA-N 1 3 343.559 3.671 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2nccc3ccccc32)cc1 ZINC000894225409 1019635048 /nfs/dbraw/zinc/63/50/48/1019635048.db2.gz KEYIHJPESPXINQ-UHFFFAOYSA-N 1 3 349.478 3.855 20 0 EHADHO Cc1ncoc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000894230058 1019787168 /nfs/dbraw/zinc/78/71/68/1019787168.db2.gz GCPSPNHOFAQOQH-UHFFFAOYSA-N 1 3 341.499 3.808 20 0 EHADHO Clc1ccccc1[C@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCCC1 ZINC000574284755 1032881295 /nfs/dbraw/zinc/88/12/95/1032881295.db2.gz KOTXXRDHZPJRMD-FQEVSTJZSA-N 1 3 347.934 3.693 20 0 EHADHO Clc1ccccc1[C@H](CNC1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000574284755 1032881309 /nfs/dbraw/zinc/88/13/09/1032881309.db2.gz KOTXXRDHZPJRMD-FQEVSTJZSA-N 1 3 347.934 3.693 20 0 EHADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501074739 1020694317 /nfs/dbraw/zinc/69/43/17/1020694317.db2.gz FXTOAHQSADAVFB-SFHVURJKSA-N 1 3 335.511 3.625 20 0 EHADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501074739 1020694325 /nfs/dbraw/zinc/69/43/25/1020694325.db2.gz FXTOAHQSADAVFB-SFHVURJKSA-N 1 3 335.511 3.625 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414903968 1021790895 /nfs/dbraw/zinc/79/08/95/1021790895.db2.gz JEVOPMILOIPGNA-OXQOHEQNSA-N 1 3 331.504 3.506 20 0 EHADHO Cc1ccc2ccccc2c1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441195542 1022047789 /nfs/dbraw/zinc/04/77/89/1022047789.db2.gz KZZODBMSEHDMQB-YUXAGFNASA-N 1 3 338.495 3.832 20 0 EHADHO C[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)CN(C)C ZINC000425931407 1022243907 /nfs/dbraw/zinc/24/39/07/1022243907.db2.gz LMUZSKOCBSSLQH-DNVCBOLYSA-N 1 3 331.891 3.806 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158194417 1022918453 /nfs/dbraw/zinc/91/84/53/1022918453.db2.gz FSZOBCRZAFADJN-UKRRQHHQSA-N 1 3 330.501 3.506 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158194417 1022918456 /nfs/dbraw/zinc/91/84/56/1022918456.db2.gz FSZOBCRZAFADJN-UKRRQHHQSA-N 1 3 330.501 3.506 20 0 EHADHO C[C@@H]1C[C@H](NC(Cc2ccccc2F)Cc2ccccc2F)CC[NH2+]1 ZINC000414952375 1022994760 /nfs/dbraw/zinc/99/47/60/1022994760.db2.gz QPUVDGXIZHAROK-CRAIPNDOSA-N 1 3 344.449 3.849 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CCN1 ZINC000414952375 1022994767 /nfs/dbraw/zinc/99/47/67/1022994767.db2.gz QPUVDGXIZHAROK-CRAIPNDOSA-N 1 3 344.449 3.849 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000506932910 1023023361 /nfs/dbraw/zinc/02/33/61/1023023361.db2.gz UCFFQYANSJCIPI-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000506932910 1023023375 /nfs/dbraw/zinc/02/33/75/1023023375.db2.gz UCFFQYANSJCIPI-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2NCCc3ccccc32)CCN1Cc1ccccc1 ZINC000414959178 1023065422 /nfs/dbraw/zinc/06/54/22/1023065422.db2.gz RXRVWJAEACQFAG-JZWVFAODSA-N 1 3 349.522 3.516 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000067450060 1033152478 /nfs/dbraw/zinc/15/24/78/1033152478.db2.gz CBZHQVMPOGXCLG-UHFFFAOYSA-N 1 3 340.467 3.588 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000067450060 1033152483 /nfs/dbraw/zinc/15/24/83/1033152483.db2.gz CBZHQVMPOGXCLG-UHFFFAOYSA-N 1 3 340.467 3.588 20 0 EHADHO COc1cc2ccc([C@@H](C)NC[C@@H]3CCC[N@H+](C)C3)cc2cc1OC ZINC000657875936 1033154684 /nfs/dbraw/zinc/15/46/84/1033154684.db2.gz JTSBVGYTCISFNQ-CVEARBPZSA-N 1 3 342.483 3.849 20 0 EHADHO COc1cc2ccc([C@@H](C)NC[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875936 1033154688 /nfs/dbraw/zinc/15/46/88/1033154688.db2.gz JTSBVGYTCISFNQ-CVEARBPZSA-N 1 3 342.483 3.849 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105528 1024137752 /nfs/dbraw/zinc/13/77/52/1024137752.db2.gz RPRHAYBBAOFUNH-XJKSGUPXSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105528 1024137756 /nfs/dbraw/zinc/13/77/56/1024137756.db2.gz RPRHAYBBAOFUNH-XJKSGUPXSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105528 1024137765 /nfs/dbraw/zinc/13/77/65/1024137765.db2.gz RPRHAYBBAOFUNH-XJKSGUPXSA-N 1 3 330.394 3.968 20 0 EHADHO C[NH+]1CCC(NCc2ccc(COc3cccc(F)c3)cc2)CC1 ZINC000647230463 1024150314 /nfs/dbraw/zinc/15/03/14/1024150314.db2.gz QGZRBWCQKWQWLG-UHFFFAOYSA-N 1 3 328.431 3.589 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1C ZINC000414854523 1024432051 /nfs/dbraw/zinc/43/20/51/1024432051.db2.gz VDENIPADOVJKIV-BEFAXECRSA-N 1 3 331.504 3.518 20 0 EHADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553309 1024589923 /nfs/dbraw/zinc/58/99/23/1024589923.db2.gz CUQPILGWQCQUIM-GOSISDBHSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553309 1024589931 /nfs/dbraw/zinc/58/99/31/1024589931.db2.gz CUQPILGWQCQUIM-GOSISDBHSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553309 1024589943 /nfs/dbraw/zinc/58/99/43/1024589943.db2.gz CUQPILGWQCQUIM-GOSISDBHSA-N 1 3 340.515 3.606 20 0 EHADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1sccc1Br ZINC000514596372 1024594687 /nfs/dbraw/zinc/59/46/87/1024594687.db2.gz XBOKRWKOASHOKP-XHVZSJERSA-N 1 3 329.307 3.549 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccccn23)C[C@H](C)N1Cc1ccccc1 ZINC001168008785 1024623145 /nfs/dbraw/zinc/62/31/45/1024623145.db2.gz YAYUSEMAPFJSCT-OPVJXMOQSA-N 1 3 348.494 3.866 20 0 EHADHO COCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(C)(C)C ZINC000511053929 1024975420 /nfs/dbraw/zinc/97/54/20/1024975420.db2.gz HRXGBUCHLYBLOX-BQJUDKOJSA-N 1 3 344.543 3.938 20 0 EHADHO CC[NH+](CC)CCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413437362 1024983159 /nfs/dbraw/zinc/98/31/59/1024983159.db2.gz KGVXMQPYYDNKAC-UHFFFAOYSA-N 1 3 345.531 3.524 20 0 EHADHO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000582053899 1025114747 /nfs/dbraw/zinc/11/47/47/1025114747.db2.gz UEGMAOGJWHQVIR-JKLQHZFJSA-N 1 3 344.543 3.675 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1OC ZINC000474598375 1025196183 /nfs/dbraw/zinc/19/61/83/1025196183.db2.gz OZNZPAMNKRTTOE-GVDBMIGSSA-N 1 3 334.504 3.517 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240285 1025529893 /nfs/dbraw/zinc/52/98/93/1025529893.db2.gz KBLJRLSYKBHCFW-QFBILLFUSA-N 1 3 338.442 3.506 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1(C)C ZINC000442860143 1025532233 /nfs/dbraw/zinc/53/22/33/1025532233.db2.gz BGCQACSLXBFCBR-HXUWFJFHSA-N 1 3 347.522 3.673 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+][C@@H]1CCNC1 ZINC000414890330 1026100973 /nfs/dbraw/zinc/10/09/73/1026100973.db2.gz UXXUNENEXFNUEL-FGWBHPHQSA-N 1 3 340.511 3.568 20 0 EHADHO COCC[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000451695605 1026215995 /nfs/dbraw/zinc/21/59/95/1026215995.db2.gz QNFBJJYXPSBFFJ-SJORKVTESA-N 1 3 344.421 3.857 20 0 EHADHO CCOCC(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000582449548 1026288656 /nfs/dbraw/zinc/28/86/56/1026288656.db2.gz HDZPOOVHSJQKMA-SLFFLAALSA-N 1 3 330.516 3.549 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280761237 1027119617 /nfs/dbraw/zinc/11/96/17/1027119617.db2.gz FNAFMYGFCYJQIJ-OAQYLSRUSA-N 1 3 339.483 3.653 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803915 1027128578 /nfs/dbraw/zinc/12/85/78/1027128578.db2.gz RKGFPDOHODCZTE-SJLPKXTDSA-N 1 3 332.488 3.619 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000513712771 1027223859 /nfs/dbraw/zinc/22/38/59/1027223859.db2.gz FMQLLZUMZRAMKG-VABKMULXSA-N 1 3 349.522 3.905 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000657561926 1027299342 /nfs/dbraw/zinc/29/93/42/1027299342.db2.gz DQRMRRMEAVZABP-MISYRCLQSA-N 1 3 329.532 3.502 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420303760 1027453471 /nfs/dbraw/zinc/45/34/71/1027453471.db2.gz DIOGIAFFKVUQKC-PWRODBHTSA-N 1 3 330.516 3.618 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420303760 1027453476 /nfs/dbraw/zinc/45/34/76/1027453476.db2.gz DIOGIAFFKVUQKC-PWRODBHTSA-N 1 3 330.516 3.618 20 0 EHADHO Clc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420339997 1027472954 /nfs/dbraw/zinc/47/29/54/1027472954.db2.gz MIOJDACNTUWHCU-CVEARBPZSA-N 1 3 345.874 3.817 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000420325667 1027480256 /nfs/dbraw/zinc/48/02/56/1027480256.db2.gz WNPRFIRNPPUJPG-FXAWDEMLSA-N 1 3 328.431 3.714 20 0 EHADHO [NH3+][C@@H]1C[C@H](NC[C@@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC000422731419 1027876498 /nfs/dbraw/zinc/87/64/98/1027876498.db2.gz LPKMDUSXOLEOEU-SQNIBIBYSA-N 1 3 327.497 3.619 20 0 EHADHO COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3CN)CCCCC2)cc1OC ZINC000422735472 1027881444 /nfs/dbraw/zinc/88/14/44/1027881444.db2.gz UWUQCZRRZKGGKI-AEFFLSMTSA-N 1 3 346.515 3.623 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000422745546 1027914139 /nfs/dbraw/zinc/91/41/39/1027914139.db2.gz XZNUJHYKEMRNRK-LBPRGKRZSA-N 1 3 337.389 3.761 20 0 EHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422777430 1027933162 /nfs/dbraw/zinc/93/31/62/1027933162.db2.gz FVZVFXWDAGFETG-XJKSGUPXSA-N 1 3 337.305 3.588 20 0 EHADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422777238 1027933990 /nfs/dbraw/zinc/93/39/90/1027933990.db2.gz BTXSTJPMYWUWJE-GUDVDZBRSA-N 1 3 341.524 3.863 20 0 EHADHO CO[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000422792774 1027965244 /nfs/dbraw/zinc/96/52/44/1027965244.db2.gz WKWGMSVOSKBAQD-XIKOKIGWSA-N 1 3 333.863 3.540 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2cccnc21 ZINC000422791465 1027966776 /nfs/dbraw/zinc/96/67/76/1027966776.db2.gz YPFXHOUDIVFOAL-DENIHFKCSA-N 1 3 345.446 3.580 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000422833395 1027973265 /nfs/dbraw/zinc/97/32/65/1027973265.db2.gz GRMGZXFBROIWBM-ZMYBRWDISA-N 1 3 327.859 3.653 20 0 EHADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422840562 1027980958 /nfs/dbraw/zinc/98/09/58/1027980958.db2.gz UADCSJQYSQKYFV-FRYIKTPZSA-N 1 3 347.934 3.819 20 0 EHADHO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+]CC[C@H]3C)s2)cc1 ZINC000422817900 1027984696 /nfs/dbraw/zinc/98/46/96/1027984696.db2.gz FEMAAFFMPUMRDP-KDOFPFPSSA-N 1 3 330.497 3.901 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)c1ccsc1 ZINC000422869325 1027985492 /nfs/dbraw/zinc/98/54/92/1027985492.db2.gz XIDIMGLVVNZINU-FFZOFVMBSA-N 1 3 345.556 3.679 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000422941595 1028071827 /nfs/dbraw/zinc/07/18/27/1028071827.db2.gz JNIWCMKZVZCWER-OAHLLOKOSA-N 1 3 335.451 3.732 20 0 EHADHO CO[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1cccc(Cl)c1 ZINC000422919033 1028072522 /nfs/dbraw/zinc/07/25/22/1028072522.db2.gz IWDKHKPTQOKSDN-SGTLLEGYSA-N 1 3 333.863 3.540 20 0 EHADHO CO[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1cccc(Cl)c1 ZINC000422919034 1028072719 /nfs/dbraw/zinc/07/27/19/1028072719.db2.gz IWDKHKPTQOKSDN-XIKOKIGWSA-N 1 3 333.863 3.540 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000502288107 1028086946 /nfs/dbraw/zinc/08/69/46/1028086946.db2.gz PFJCIVHSJUZVSD-ZWKOTPCHSA-N 1 3 348.531 3.653 20 0 EHADHO COc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccc2OC)cc1 ZINC000423003360 1028116389 /nfs/dbraw/zinc/11/63/89/1028116389.db2.gz LTECZNHYVHBSQR-MGPUTAFESA-N 1 3 328.456 3.510 20 0 EHADHO CC(C)(C)c1nc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000423022888 1028133951 /nfs/dbraw/zinc/13/39/51/1028133951.db2.gz IMXSWZBMAAEBDU-BRWVUGGUSA-N 1 3 335.561 3.884 20 0 EHADHO COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000502366553 1028146359 /nfs/dbraw/zinc/14/63/59/1028146359.db2.gz AWWKYRBQPANSDS-PWRODBHTSA-N 1 3 342.527 3.693 20 0 EHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423060855 1028153507 /nfs/dbraw/zinc/15/35/07/1028153507.db2.gz PJWAUHXLTUWRPM-XJKSGUPXSA-N 1 3 326.406 3.844 20 0 EHADHO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(CN)nc3C)cn(C)c2c1 ZINC000423060666 1028156221 /nfs/dbraw/zinc/15/62/21/1028156221.db2.gz OVSRCWPNSYXGIB-OAHLLOKOSA-N 1 3 336.483 3.542 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423053552 1028167481 /nfs/dbraw/zinc/16/74/81/1028167481.db2.gz AQNGSBWXQOTGOD-NHYWBVRUSA-N 1 3 330.369 3.593 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079856 1028169729 /nfs/dbraw/zinc/16/97/29/1028169729.db2.gz RGOPFFCGXAPZQR-IINYFYTJSA-N 1 3 326.271 3.734 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423115590 1028184641 /nfs/dbraw/zinc/18/46/41/1028184641.db2.gz NRVVBUHMQYUNEI-CYBMUJFWSA-N 1 3 340.446 3.753 20 0 EHADHO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)cc1F ZINC000423116642 1028188629 /nfs/dbraw/zinc/18/86/29/1028188629.db2.gz QUOHBVPPXSQEGK-QRTARXTBSA-N 1 3 343.446 3.593 20 0 EHADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141834 1028227122 /nfs/dbraw/zinc/22/71/22/1028227122.db2.gz RZECWDZNODMJPB-MUIFIZLQSA-N 1 3 337.305 3.802 20 0 EHADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423221733 1028290187 /nfs/dbraw/zinc/29/01/87/1028290187.db2.gz XVPJVXJIQZVDGM-INWMFGNUSA-N 1 3 325.294 3.878 20 0 EHADHO CCN1CCC([N@@H+]2CCCN(C/C(C)=C\c3ccccc3)CC2)CC1 ZINC000421368773 1028327479 /nfs/dbraw/zinc/32/74/79/1028327479.db2.gz GKPMHASGEOECFP-ZZEZOPTASA-N 1 3 341.543 3.582 20 0 EHADHO CCN1CCC([N@H+]2CCCN(C/C(C)=C\c3ccccc3)CC2)CC1 ZINC000421368773 1028327493 /nfs/dbraw/zinc/32/74/93/1028327493.db2.gz GKPMHASGEOECFP-ZZEZOPTASA-N 1 3 341.543 3.582 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c(C)c1OC ZINC000423294173 1028351963 /nfs/dbraw/zinc/35/19/63/1028351963.db2.gz TXEXZOWBEUFSTH-GJZGRUSLSA-N 1 3 328.456 3.883 20 0 EHADHO COCCOc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423295926 1028354451 /nfs/dbraw/zinc/35/44/51/1028354451.db2.gz XUNWCIXNUNWKIH-HZPDHXFCSA-N 1 3 328.456 3.582 20 0 EHADHO COc1ccc([C@H](NCCCC[NH3+])c2ccccc2Cl)cc1OC ZINC000423331332 1028367709 /nfs/dbraw/zinc/36/77/09/1028367709.db2.gz PXPJSHCJAYOGMU-IBGZPJMESA-N 1 3 348.874 3.775 20 0 EHADHO COc1ccc(OC)c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423506814 1028473185 /nfs/dbraw/zinc/47/31/85/1028473185.db2.gz PMNXQPDQJHMMDS-KXBFYZLASA-N 1 3 328.456 3.835 20 0 EHADHO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423516579 1028493825 /nfs/dbraw/zinc/49/38/25/1028493825.db2.gz YCVHXNRALBJCOE-IIBYNOLFSA-N 1 3 334.467 3.785 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000237046721 1028617400 /nfs/dbraw/zinc/61/74/00/1028617400.db2.gz GNKBXZJJDLJVDU-KRWDZBQOSA-N 1 3 348.462 3.841 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)CC3 ZINC000514693500 1028930752 /nfs/dbraw/zinc/93/07/52/1028930752.db2.gz OQNKFPKGRLMKHV-IAGOWNOFSA-N 1 3 325.500 3.654 20 0 EHADHO Cc1ccc(-c2cnc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000424301971 1028986099 /nfs/dbraw/zinc/98/60/99/1028986099.db2.gz YNWVVJMPUGXVSA-MRXNPFEDSA-N 1 3 325.456 3.614 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000414807267 1029252740 /nfs/dbraw/zinc/25/27/40/1029252740.db2.gz IWDQKRCERATHJK-KKSFZXQISA-N 1 3 340.467 3.554 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000414812769 1029324374 /nfs/dbraw/zinc/32/43/74/1029324374.db2.gz RSMFQMOQKHQJAE-ZDUSSCGKSA-N 1 3 338.373 3.937 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1(C)C ZINC000623376400 1029795379 /nfs/dbraw/zinc/79/53/79/1029795379.db2.gz RXSUASZNFJLWTC-MRXNPFEDSA-N 1 3 343.446 3.975 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446921544 1029854884 /nfs/dbraw/zinc/85/48/84/1029854884.db2.gz SKFHIDUWZSSIAI-UWVAXJGDSA-N 1 3 338.499 3.736 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921544 1029854892 /nfs/dbraw/zinc/85/48/92/1029854892.db2.gz SKFHIDUWZSSIAI-UWVAXJGDSA-N 1 3 338.499 3.736 20 0 EHADHO CC[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000453217144 1029924758 /nfs/dbraw/zinc/92/47/58/1029924758.db2.gz TXWZLDGMVRZTAH-NRFANRHFSA-N 1 3 339.483 3.796 20 0 EHADHO C[C@H]1CCCN(Cc2ccc(OCc3ccncc3)cc2)[C@H]1CC[NH3+] ZINC000650711386 1030060710 /nfs/dbraw/zinc/06/07/10/1030060710.db2.gz RVCNTIYXWBOYMU-UWJYYQICSA-N 1 3 339.483 3.610 20 0 EHADHO CCC[C@@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000090522382 1030136154 /nfs/dbraw/zinc/13/61/54/1030136154.db2.gz GOUXJIPJKZIVIA-HKBOAZHASA-N 1 3 330.516 3.885 20 0 EHADHO c1ccc([C@H](CC2CC2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000531969545 1030174004 /nfs/dbraw/zinc/17/40/04/1030174004.db2.gz KZUWTWKCQVKSLK-NQIIRXRSSA-N 1 3 328.500 3.618 20 0 EHADHO Fc1cccc(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1F ZINC000453362286 1030175884 /nfs/dbraw/zinc/17/58/84/1030175884.db2.gz NTMALFDZHNPFOW-ZWKOTPCHSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(CC2CCN([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1F ZINC000453362286 1030175891 /nfs/dbraw/zinc/17/58/91/1030175891.db2.gz NTMALFDZHNPFOW-ZWKOTPCHSA-N 1 3 334.454 3.846 20 0 EHADHO C[N@H+](CCCCNCc1c(F)ccc(Br)c1F)C1CC1 ZINC000453590072 1030380877 /nfs/dbraw/zinc/38/08/77/1030380877.db2.gz AFPDTMMQHNXOOQ-UHFFFAOYSA-N 1 3 347.247 3.691 20 0 EHADHO C[N@@H+](CCCCNCc1c(F)ccc(Br)c1F)C1CC1 ZINC000453590072 1030380895 /nfs/dbraw/zinc/38/08/95/1030380895.db2.gz AFPDTMMQHNXOOQ-UHFFFAOYSA-N 1 3 347.247 3.691 20 0 EHADHO C[N@H+](CCCCNCc1c(F)cccc1Br)C1CC1 ZINC000453600304 1030387663 /nfs/dbraw/zinc/38/76/63/1030387663.db2.gz SRNQNTDCOFYLRZ-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO C[N@@H+](CCCCNCc1c(F)cccc1Br)C1CC1 ZINC000453600304 1030387676 /nfs/dbraw/zinc/38/76/76/1030387676.db2.gz SRNQNTDCOFYLRZ-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482461426 1030447077 /nfs/dbraw/zinc/44/70/77/1030447077.db2.gz RUEWVTNANIWAAW-GCJKJVERSA-N 1 3 338.470 3.967 20 0 EHADHO [NH3+]CC1(CCN[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000650745696 1030528950 /nfs/dbraw/zinc/52/89/50/1030528950.db2.gz LYBSAVPESPPIRK-INIZCTEOSA-N 1 3 349.272 3.850 20 0 EHADHO C[C@H]1C[C@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094152 1030985187 /nfs/dbraw/zinc/98/51/87/1030985187.db2.gz SCAIERHJYPMIHY-UONOGXRCSA-N 1 3 342.405 3.523 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000483169730 1031021796 /nfs/dbraw/zinc/02/17/96/1031021796.db2.gz CIEFYBVVMGOJJS-UHFFFAOYSA-N 1 3 346.563 3.870 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000483169730 1031021811 /nfs/dbraw/zinc/02/18/11/1031021811.db2.gz CIEFYBVVMGOJJS-UHFFFAOYSA-N 1 3 346.563 3.870 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000484310090 1031530091 /nfs/dbraw/zinc/53/00/91/1031530091.db2.gz PDBBVWZHAGZMKG-FUHWJXTLSA-N 1 3 330.472 3.954 20 0 EHADHO Clc1ccc2c(c1)[C@H](N1CCC(OCC[NH+]3CCCC3)CC1)CC2 ZINC000343596437 1031566152 /nfs/dbraw/zinc/56/61/52/1031566152.db2.gz CWHCXNBAKLQTSC-HXUWFJFHSA-N 1 3 348.918 3.904 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnn3ccccc23)CC1 ZINC000179389739 1031746021 /nfs/dbraw/zinc/74/60/21/1031746021.db2.gz PWBJTJKTVSYBEH-UHFFFAOYSA-N 1 3 348.494 3.678 20 0 EHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnn3ccccc23)CC1 ZINC000179389739 1031746038 /nfs/dbraw/zinc/74/60/38/1031746038.db2.gz PWBJTJKTVSYBEH-UHFFFAOYSA-N 1 3 348.494 3.678 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@@H](N(C)C)C(F)(F)F)CC2)C1 ZINC000926959927 1031968342 /nfs/dbraw/zinc/96/83/42/1031968342.db2.gz DBHPBQNRZOCKDA-DJIMGWMZSA-N 1 3 349.485 3.502 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657918090 1033638412 /nfs/dbraw/zinc/63/84/12/1033638412.db2.gz AMHHDGFVEMDNAT-XHSDSOJGSA-N 1 3 347.528 3.836 20 0 EHADHO CC[C@@H](Cc1cccs1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167792 1034032662 /nfs/dbraw/zinc/03/26/62/1034032662.db2.gz UKKKVAXLXAFGHU-IBGZPJMESA-N 1 3 343.540 3.966 20 0 EHADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000119273641 1034106553 /nfs/dbraw/zinc/10/65/53/1034106553.db2.gz BUCPAOFQPUQEAN-XSVZSIDJSA-N 1 3 348.918 3.834 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC)[C@H](C)C1 ZINC000119239042 1034119276 /nfs/dbraw/zinc/11/92/76/1034119276.db2.gz JGYODJZOKITTTN-UYAOXDASSA-N 1 3 348.531 3.620 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000534332497 1034408666 /nfs/dbraw/zinc/40/86/66/1034408666.db2.gz SQHDGUBJTFPDDR-UHFFFAOYSA-N 1 3 338.499 3.697 20 0 EHADHO C[NH+](C)CC[C@H](NCc1ccc(Br)cc1)C(C)(C)C ZINC000604770660 1034486800 /nfs/dbraw/zinc/48/68/00/1034486800.db2.gz AFFUPDACHHCSAR-HNNXBMFYSA-N 1 3 327.310 3.905 20 0 EHADHO CCC1(CN[C@H](C)c2ccn(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000414105530 1035527650 /nfs/dbraw/zinc/52/76/50/1035527650.db2.gz PPCBUKCDCUMZBB-GOSISDBHSA-N 1 3 340.515 3.763 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)CC1 ZINC000540653957 1035529173 /nfs/dbraw/zinc/52/91/73/1035529173.db2.gz RXEKECWTUVQPJP-OAQYLSRUSA-N 1 3 343.515 3.747 20 0 EHADHO CC[N@@H+]1CC[C@@H](NCCOCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000540660571 1035549654 /nfs/dbraw/zinc/54/96/54/1035549654.db2.gz OPTMZWCIHXUHFA-SUMWQHHRSA-N 1 3 345.314 3.830 20 0 EHADHO CC[N@H+]1CC[C@@H](NCCOCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000540660571 1035549667 /nfs/dbraw/zinc/54/96/67/1035549667.db2.gz OPTMZWCIHXUHFA-SUMWQHHRSA-N 1 3 345.314 3.830 20 0 EHADHO c1ncn2cc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc12 ZINC000414145950 1035765296 /nfs/dbraw/zinc/76/52/96/1035765296.db2.gz BMRKDDTZNQQLJV-MZADTFQBSA-N 1 3 346.478 3.620 20 0 EHADHO c1ncn2cc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc12 ZINC000414145950 1035765316 /nfs/dbraw/zinc/76/53/16/1035765316.db2.gz BMRKDDTZNQQLJV-MZADTFQBSA-N 1 3 346.478 3.620 20 0 EHADHO Cc1cccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c1 ZINC001168387630 1036283851 /nfs/dbraw/zinc/28/38/51/1036283851.db2.gz MUMSCTRWDRSBSV-UHFFFAOYSA-N 1 3 328.500 3.713 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](O)CCc3ccccc3)CC2)C1 ZINC000542463580 1036476399 /nfs/dbraw/zinc/47/63/99/1036476399.db2.gz CBRUBKWZQNZDKN-BVYCBKJFSA-N 1 3 344.543 3.613 20 0 EHADHO CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000398017861 1036488706 /nfs/dbraw/zinc/48/87/06/1036488706.db2.gz IIMLWVUPDSMPQV-VLCRHTCISA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000398017861 1036488714 /nfs/dbraw/zinc/48/87/14/1036488714.db2.gz IIMLWVUPDSMPQV-VLCRHTCISA-N 1 3 338.495 3.874 20 0 EHADHO c1ccc2c(c1)OC[C@H](CCNC1CC[NH+](C3CCCCC3)CC1)O2 ZINC000414364670 1036995114 /nfs/dbraw/zinc/99/51/14/1036995114.db2.gz BFERUXXMHSFCCB-IBGZPJMESA-N 1 3 344.499 3.603 20 0 EHADHO c1ccc2c(c1)OC[C@H](CC[NH2+]C1CCN(C3CCCCC3)CC1)O2 ZINC000414364670 1036995131 /nfs/dbraw/zinc/99/51/31/1036995131.db2.gz BFERUXXMHSFCCB-IBGZPJMESA-N 1 3 344.499 3.603 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000542084584 1037049150 /nfs/dbraw/zinc/04/91/50/1037049150.db2.gz WBGCKQUPHQDJPH-JOCHJYFZSA-N 1 3 343.559 3.925 20 0 EHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000647552189 1037152652 /nfs/dbraw/zinc/15/26/52/1037152652.db2.gz LBFDSJJGHXZMCM-LSDHHAIUSA-N 1 3 344.503 3.529 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](CCSc3ccccc3)CC2)C[C@@H](C)O1 ZINC000303534212 1037527087 /nfs/dbraw/zinc/52/70/87/1037527087.db2.gz IDCIOFCASVDKFG-QZTJIDSGSA-N 1 3 348.556 3.600 20 0 EHADHO C[N@H+](CCNC1CCN(Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000463154077 1037822288 /nfs/dbraw/zinc/82/22/88/1037822288.db2.gz YKJOFAZZYHFACG-UHFFFAOYSA-N 1 3 349.950 3.768 20 0 EHADHO C[N@@H+](CCNC1CCN(Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000463154077 1037822312 /nfs/dbraw/zinc/82/23/12/1037822312.db2.gz YKJOFAZZYHFACG-UHFFFAOYSA-N 1 3 349.950 3.768 20 0 EHADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183154275 1037933968 /nfs/dbraw/zinc/93/39/68/1037933968.db2.gz QBHKWUOBHXYLHC-PCCBWWKXSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000125165724 1038286642 /nfs/dbraw/zinc/28/66/42/1038286642.db2.gz VCHAIUZPCXIZEM-PXNSSMCTSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000125165724 1038286645 /nfs/dbraw/zinc/28/66/45/1038286645.db2.gz VCHAIUZPCXIZEM-PXNSSMCTSA-N 1 3 348.494 3.657 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363918180 1038925087 /nfs/dbraw/zinc/92/50/87/1038925087.db2.gz BQRMHQUCNNWXJA-BHYGNILZSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363918180 1038925104 /nfs/dbraw/zinc/92/51/04/1038925104.db2.gz BQRMHQUCNNWXJA-BHYGNILZSA-N 1 3 349.906 3.582 20 0 EHADHO CCCC[N@H+](C)CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000512420191 1039084559 /nfs/dbraw/zinc/08/45/59/1039084559.db2.gz IEJWVGYZUDWHOK-UHFFFAOYSA-N 1 3 334.479 3.842 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000512420191 1039084572 /nfs/dbraw/zinc/08/45/72/1039084572.db2.gz IEJWVGYZUDWHOK-UHFFFAOYSA-N 1 3 334.479 3.842 20 0 EHADHO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000480158979 1039247063 /nfs/dbraw/zinc/24/70/63/1039247063.db2.gz AURMXTGDIZQSLG-INIZCTEOSA-N 1 3 328.378 3.648 20 0 EHADHO C[NH+](C)CCOc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000485703450 1039430541 /nfs/dbraw/zinc/43/05/41/1039430541.db2.gz UBVXZJIVBQLODI-UHFFFAOYSA-N 1 3 336.838 3.709 20 0 EHADHO C[N@H+](CCCNCc1ccc(C(C)(C)O)cc1)Cc1ccccc1 ZINC000310161385 1039430571 /nfs/dbraw/zinc/43/05/71/1039430571.db2.gz QEJIRJLRCRGWCZ-UHFFFAOYSA-N 1 3 326.484 3.526 20 0 EHADHO C[N@@H+](CCCNCc1ccc(C(C)(C)O)cc1)Cc1ccccc1 ZINC000310161385 1039430580 /nfs/dbraw/zinc/43/05/80/1039430580.db2.gz QEJIRJLRCRGWCZ-UHFFFAOYSA-N 1 3 326.484 3.526 20 0 EHADHO CCCCc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000480769126 1039989110 /nfs/dbraw/zinc/98/91/10/1039989110.db2.gz LLYBIHGKOZTGOO-LJQANCHMSA-N 1 3 331.548 3.707 20 0 EHADHO C[NH+](C)CCOc1ccc(CNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000486711942 1040358875 /nfs/dbraw/zinc/35/88/75/1040358875.db2.gz QIUWIPOUEXOYLP-UHFFFAOYSA-N 1 3 341.430 3.537 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)[C@@H](C)C2 ZINC000490126790 1040365429 /nfs/dbraw/zinc/36/54/29/1040365429.db2.gz XZHYEEHJBNEEHM-RYLXDESZSA-N 1 3 330.516 3.707 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294180 1040618973 /nfs/dbraw/zinc/61/89/73/1040618973.db2.gz KBNJGZBTLSSNQV-AYBZRNKSSA-N 1 3 334.479 3.792 20 0 EHADHO Brc1ccc([C@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372133 1040695218 /nfs/dbraw/zinc/69/52/18/1040695218.db2.gz UPJWIHBVRUHICY-QZTJIDSGSA-N 1 3 349.316 3.769 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC/C=C\c1ccncc1 ZINC000487318734 1040907621 /nfs/dbraw/zinc/90/76/21/1040907621.db2.gz NIFXFUXXDLBBLK-CUPMYPMHSA-N 1 3 335.495 3.841 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC/C=C\c1ccncc1 ZINC000487318734 1040907646 /nfs/dbraw/zinc/90/76/46/1040907646.db2.gz NIFXFUXXDLBBLK-CUPMYPMHSA-N 1 3 335.495 3.841 20 0 EHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC/C=C\c1ccncc1 ZINC000487318744 1040909994 /nfs/dbraw/zinc/90/99/94/1040909994.db2.gz NIFXFUXXDLBBLK-ZHHAWYBESA-N 1 3 335.495 3.841 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000555801756 1041161896 /nfs/dbraw/zinc/16/18/96/1041161896.db2.gz ATKGSTPUECRQMM-MRXNPFEDSA-N 1 3 326.406 3.869 20 0 EHADHO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000571292714 1041260000 /nfs/dbraw/zinc/26/00/00/1041260000.db2.gz QYNWENUSGLVBII-SVFBPWRDSA-N 1 3 331.548 3.750 20 0 EHADHO c1ccc(OC2C[C@H]3CC[C@@H](C2)N3CCC[NH+]2CCCCC2)cc1 ZINC000661556160 1042186726 /nfs/dbraw/zinc/18/67/26/1042186726.db2.gz KFCIBDMZDJUTPL-PMSBKCLSSA-N 1 3 328.500 3.937 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000062253070 1042668017 /nfs/dbraw/zinc/66/80/17/1042668017.db2.gz JNZZWDYIJDGSDF-KBPBESRZSA-N 1 3 345.314 3.972 20 0 EHADHO C[C@@H]1CCCN(CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313021 1042677708 /nfs/dbraw/zinc/67/77/08/1042677708.db2.gz FUWHCJIVOVOCKN-VQIMIIECSA-N 1 3 345.531 3.762 20 0 EHADHO Cc1nc(C(F)(F)F)c(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000662317880 1042683117 /nfs/dbraw/zinc/68/31/17/1042683117.db2.gz UWGFELWCCZBYEY-ZYHUDNBSSA-N 1 3 335.439 3.810 20 0 EHADHO C[C@H](c1cccc2ccccc21)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321431 1042684734 /nfs/dbraw/zinc/68/47/34/1042684734.db2.gz IEYMKZLUJOXDOO-IEBWSBKVSA-N 1 3 326.484 3.943 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663465285 1042884963 /nfs/dbraw/zinc/88/49/63/1042884963.db2.gz JAIQNPBTCSSREH-XNKSBNDBSA-N 1 3 342.527 3.899 20 0 EHADHO COc1cccc(OC)c1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000512087029 1043172552 /nfs/dbraw/zinc/17/25/52/1043172552.db2.gz HLHKFNPRODHJKB-IAGOWNOFSA-N 1 3 334.504 3.552 20 0 EHADHO CCSc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450492 1043292083 /nfs/dbraw/zinc/29/20/83/1043292083.db2.gz XGGBZOOIJHQAMJ-IRXDYDNUSA-N 1 3 336.545 3.950 20 0 EHADHO CCSc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450492 1043292096 /nfs/dbraw/zinc/29/20/96/1043292096.db2.gz XGGBZOOIJHQAMJ-IRXDYDNUSA-N 1 3 336.545 3.950 20 0 EHADHO Cc1noc(C)c1CNCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174450196 1126853182 /nfs/dbraw/zinc/85/31/82/1126853182.db2.gz AJKGIHWXRFQEDX-UHFFFAOYSA-N 1 3 339.439 3.806 20 0 EHADHO Cc1noc(C)c1CNCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174450196 1126853185 /nfs/dbraw/zinc/85/31/85/1126853185.db2.gz AJKGIHWXRFQEDX-UHFFFAOYSA-N 1 3 339.439 3.806 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000175748893 1126878949 /nfs/dbraw/zinc/87/89/49/1126878949.db2.gz BCNRERXUNKKIOQ-QGZVFWFLSA-N 1 3 334.435 3.532 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623358002 1126929033 /nfs/dbraw/zinc/92/90/33/1126929033.db2.gz LJJPPIVGHUDZJP-CQSZACIVSA-N 1 3 330.394 3.590 20 0 EHADHO C[C@@H](N[C@@H](C)c1ccoc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178759135 1127030020 /nfs/dbraw/zinc/03/00/20/1127030020.db2.gz OOQHKWQVADTLRF-LSDHHAIUSA-N 1 3 331.435 3.582 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000180790726 1127187348 /nfs/dbraw/zinc/18/73/48/1127187348.db2.gz ISAWOKIZFPNPEM-UHFFFAOYSA-N 1 3 345.531 3.979 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121610 1127255423 /nfs/dbraw/zinc/25/54/23/1127255423.db2.gz YXZBQMKGSPDFMU-ROUUACIJSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121610 1127255427 /nfs/dbraw/zinc/25/54/27/1127255427.db2.gz YXZBQMKGSPDFMU-ROUUACIJSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121610 1127255430 /nfs/dbraw/zinc/25/54/30/1127255430.db2.gz YXZBQMKGSPDFMU-ROUUACIJSA-N 1 3 345.531 3.849 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000624120904 1127255466 /nfs/dbraw/zinc/25/54/66/1127255466.db2.gz JSHKCJXBDIVCPG-ZIAGYGMSSA-N 1 3 330.394 3.968 20 0 EHADHO COc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185682153 1127430034 /nfs/dbraw/zinc/43/00/34/1127430034.db2.gz FZWDFMYLLVBDRL-HKUYNNGSSA-N 1 3 330.516 3.870 20 0 EHADHO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000765254254 1127590377 /nfs/dbraw/zinc/59/03/77/1127590377.db2.gz YIEBBXDWHCVPRQ-LJQANCHMSA-N 1 3 332.536 3.685 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000624308813 1127891749 /nfs/dbraw/zinc/89/17/49/1127891749.db2.gz YGPJOCIQXWYFBU-IXDOHACOSA-N 1 3 326.406 3.754 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000624308813 1127891752 /nfs/dbraw/zinc/89/17/52/1127891752.db2.gz YGPJOCIQXWYFBU-IXDOHACOSA-N 1 3 326.406 3.754 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000105480543 1127960438 /nfs/dbraw/zinc/96/04/38/1127960438.db2.gz HMACHRFEVPBKAU-KKSFZXQISA-N 1 3 342.458 3.835 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000105480543 1127960441 /nfs/dbraw/zinc/96/04/41/1127960441.db2.gz HMACHRFEVPBKAU-KKSFZXQISA-N 1 3 342.458 3.835 20 0 EHADHO Cc1ncsc1CCN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172538569 1128514356 /nfs/dbraw/zinc/51/43/56/1128514356.db2.gz GKBINPIADVLHMD-UHFFFAOYSA-N 1 3 329.513 3.590 20 0 EHADHO CC[C@H]1CCC[C@@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000542689871 1128540493 /nfs/dbraw/zinc/54/04/93/1128540493.db2.gz YFDGWICZZWIWSX-VQTJNVASSA-N 1 3 335.580 3.552 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1Br ZINC000715562301 1128572419 /nfs/dbraw/zinc/57/24/19/1128572419.db2.gz OEFJHBNSCXHHNQ-HUUCEWRRSA-N 1 3 325.294 3.720 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@@H](CC)[NH+]2CCCC2)c2ccccc21 ZINC000338692887 1128611621 /nfs/dbraw/zinc/61/16/21/1128611621.db2.gz KFLGOCZJBQGZOP-NSISKUIASA-N 1 3 344.499 3.632 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001203221709 1128739204 /nfs/dbraw/zinc/73/92/04/1128739204.db2.gz GMBAILJILHHJJR-SVFBPWRDSA-N 1 3 341.543 3.744 20 0 EHADHO CC(C)[C@H](C[NH2+]C1CCN(C(C)C)CC1)N1CCc2ccccc2C1 ZINC000542909025 1128829793 /nfs/dbraw/zinc/82/97/93/1128829793.db2.gz WTANHPCACSINBG-QFIPXVFZSA-N 1 3 343.559 3.532 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001648814382 1120046754 /nfs/dbraw/zinc/04/67/54/1120046754.db2.gz KKICHGYNLBZVMP-UGKGYDQZSA-N 1 3 343.559 3.740 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465184 1120533381 /nfs/dbraw/zinc/53/33/81/1120533381.db2.gz AOCTZTUQJGVYKJ-SJORKVTESA-N 1 3 346.437 3.693 20 0 EHADHO COCC[C@@H](Cc1ccco1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000542483593 1120574589 /nfs/dbraw/zinc/57/45/89/1120574589.db2.gz QKYCPVGVDFONMZ-SFHVURJKSA-N 1 3 334.504 3.614 20 0 EHADHO Cc1cccc(C2([NH2+]CCCN3CCN(C(C)C)CC3)CCCC2)c1 ZINC000192766735 1120748343 /nfs/dbraw/zinc/74/83/43/1120748343.db2.gz ZASGJSDDNFJJBY-UHFFFAOYSA-N 1 3 343.559 3.770 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000192843303 1120750955 /nfs/dbraw/zinc/75/09/55/1120750955.db2.gz IQYGTTLTGRPJJP-UHFFFAOYSA-N 1 3 335.580 3.839 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000192843303 1120750960 /nfs/dbraw/zinc/75/09/60/1120750960.db2.gz IQYGTTLTGRPJJP-UHFFFAOYSA-N 1 3 335.580 3.839 20 0 EHADHO CC1CC[NH+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000494920416 1120905147 /nfs/dbraw/zinc/90/51/47/1120905147.db2.gz SHXMAOOJKUDJIX-GOSISDBHSA-N 1 3 333.524 3.528 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495029778 1120935338 /nfs/dbraw/zinc/93/53/38/1120935338.db2.gz WXOQYRXZZLAOAZ-UXPWSPDFSA-N 1 3 334.479 3.757 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495029778 1120935341 /nfs/dbraw/zinc/93/53/41/1120935341.db2.gz WXOQYRXZZLAOAZ-UXPWSPDFSA-N 1 3 334.479 3.757 20 0 EHADHO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2ccc(Br)cc21 ZINC000356681344 1128995262 /nfs/dbraw/zinc/99/52/62/1128995262.db2.gz PLXIZWMLRRUXAF-WBMJQRKESA-N 1 3 325.294 3.756 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398022641 1121960970 /nfs/dbraw/zinc/96/09/70/1121960970.db2.gz AUWCZZPQLCMDEH-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398022641 1121960977 /nfs/dbraw/zinc/96/09/77/1121960977.db2.gz AUWCZZPQLCMDEH-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3ccccc32)C[C@@H](C)O1 ZINC000237403343 1123516885 /nfs/dbraw/zinc/51/68/85/1123516885.db2.gz LFJNRMDVRULNQZ-QZTJIDSGSA-N 1 3 326.484 3.819 20 0 EHADHO C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCCCC1 ZINC000078714588 1123647515 /nfs/dbraw/zinc/64/75/15/1123647515.db2.gz SLVLSYSMINFURX-GOSISDBHSA-N 1 3 343.515 3.876 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423065 1123822344 /nfs/dbraw/zinc/82/23/44/1123822344.db2.gz JGBVZMYRLNOCJA-YJBOKZPZSA-N 1 3 329.513 3.972 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423065 1123822347 /nfs/dbraw/zinc/82/23/47/1123822347.db2.gz JGBVZMYRLNOCJA-YJBOKZPZSA-N 1 3 329.513 3.972 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000245470888 1123843318 /nfs/dbraw/zinc/84/33/18/1123843318.db2.gz WWPYBXNYYDDKRI-DOXZYTNZSA-N 1 3 340.458 3.752 20 0 EHADHO Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC000237787861 1123861041 /nfs/dbraw/zinc/86/10/41/1123861041.db2.gz DGMVSSPXDALFAF-UHFFFAOYSA-N 1 3 342.458 3.899 20 0 EHADHO COCCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248395665 1124656005 /nfs/dbraw/zinc/65/60/05/1124656005.db2.gz GLLBLDCFRLMPGV-PWRODBHTSA-N 1 3 330.516 3.693 20 0 EHADHO FC(F)OCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000249292698 1124751384 /nfs/dbraw/zinc/75/13/84/1124751384.db2.gz QETUBKAVKGNJSB-OKZBNKHCSA-N 1 3 338.442 3.506 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353596405 1124954367 /nfs/dbraw/zinc/95/43/67/1124954367.db2.gz QRXVLVXGKDOGPU-UYAOXDASSA-N 1 3 338.499 3.677 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353596405 1124954371 /nfs/dbraw/zinc/95/43/71/1124954371.db2.gz QRXVLVXGKDOGPU-UYAOXDASSA-N 1 3 338.499 3.677 20 0 EHADHO CCc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000347787293 1129776260 /nfs/dbraw/zinc/77/62/60/1129776260.db2.gz RVIFSJBMJARACG-UHFFFAOYSA-N 1 3 337.511 3.988 20 0 EHADHO CCc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000347787293 1129776263 /nfs/dbraw/zinc/77/62/63/1129776263.db2.gz RVIFSJBMJARACG-UHFFFAOYSA-N 1 3 337.511 3.988 20 0 EHADHO COCc1csc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000658208728 1130265634 /nfs/dbraw/zinc/26/56/34/1130265634.db2.gz KIGWTBQJKWRQBD-HNNXBMFYSA-N 1 3 348.512 3.686 20 0 EHADHO C[C@H]1C[C@@H](NCCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781437 1130472264 /nfs/dbraw/zinc/47/22/64/1130472264.db2.gz ZQEMLBQAOMOWGE-CVDCTZTESA-N 1 3 349.522 3.645 20 0 EHADHO C[C@H]1C[C@@H](NCCN2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000675781437 1130472268 /nfs/dbraw/zinc/47/22/68/1130472268.db2.gz ZQEMLBQAOMOWGE-CVDCTZTESA-N 1 3 349.522 3.645 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@H]2CN(C)Cc3ccccc32)CCN1Cc1ccccc1 ZINC000536838542 1130594271 /nfs/dbraw/zinc/59/42/71/1130594271.db2.gz HWGGKCNKIMAWJL-AAIMPIBUSA-N 1 3 349.522 3.816 20 0 EHADHO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000347935606 1131093077 /nfs/dbraw/zinc/09/30/77/1131093077.db2.gz QARFDXMVTWIQJN-WFASDCNBSA-N 1 3 346.441 3.587 20 0 EHADHO COC(=O)C1(C)CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001168772436 1131591720 /nfs/dbraw/zinc/59/17/20/1131591720.db2.gz KEGBRMWEPHPAJJ-XPQZIERPSA-N 1 3 348.531 3.519 20 0 EHADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C2)cc1 ZINC001172555104 1131767927 /nfs/dbraw/zinc/76/79/27/1131767927.db2.gz GBNQVSKECJBVBS-MXEMCNAFSA-N 1 3 328.500 3.556 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001172746958 1131830309 /nfs/dbraw/zinc/83/03/09/1131830309.db2.gz WWEODDOLJBSAFX-KRWDZBQOSA-N 1 3 338.536 3.741 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172746958 1131830314 /nfs/dbraw/zinc/83/03/14/1131830314.db2.gz WWEODDOLJBSAFX-KRWDZBQOSA-N 1 3 338.536 3.741 20 0 EHADHO Cc1ccc2c(c1)C[C@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)CC2 ZINC001172828812 1131854405 /nfs/dbraw/zinc/85/44/05/1131854405.db2.gz PXWDRDBSBKJRLD-OAQYLSRUSA-N 1 3 338.470 3.941 20 0 EHADHO CO[C@@H]1CCC[C@@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)C1 ZINC001172933211 1131910671 /nfs/dbraw/zinc/91/06/71/1131910671.db2.gz XIUHMRJJARVBTB-QZTJIDSGSA-N 1 3 339.483 3.623 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001173074482 1131957067 /nfs/dbraw/zinc/95/70/67/1131957067.db2.gz FYELGTSYWHBJCU-UKRRQHHQSA-N 1 3 330.394 3.590 20 0 EHADHO Fc1cc2c(cc1F)CC(NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001173480204 1132075487 /nfs/dbraw/zinc/07/54/87/1132075487.db2.gz ROBHRARESQQVMR-OAHLLOKOSA-N 1 3 346.465 3.842 20 0 EHADHO Fc1cc2c(cc1F)CC([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001173480204 1132075494 /nfs/dbraw/zinc/07/54/94/1132075494.db2.gz ROBHRARESQQVMR-OAHLLOKOSA-N 1 3 346.465 3.842 20 0 EHADHO COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001173716818 1132135222 /nfs/dbraw/zinc/13/52/22/1132135222.db2.gz HQNWTIWSNMGYEZ-HNNXBMFYSA-N 1 3 346.515 3.645 20 0 EHADHO C[N@@H+]1CCc2ccc(NC3=CCCN(Cc4ccccc4)C3)cc2C1 ZINC001174395398 1132331064 /nfs/dbraw/zinc/33/10/64/1132331064.db2.gz VPNASSJZZSTEMI-UHFFFAOYSA-N 1 3 333.479 3.876 20 0 EHADHO C[N@H+]1CCc2ccc(NC3=CCCN(Cc4ccccc4)C3)cc2C1 ZINC001174395398 1132331072 /nfs/dbraw/zinc/33/10/72/1132331072.db2.gz VPNASSJZZSTEMI-UHFFFAOYSA-N 1 3 333.479 3.876 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119912 1132663416 /nfs/dbraw/zinc/66/34/16/1132663416.db2.gz YKRCXBANGJAMIU-MXEMCNAFSA-N 1 3 328.500 3.759 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119912 1132663420 /nfs/dbraw/zinc/66/34/20/1132663420.db2.gz YKRCXBANGJAMIU-MXEMCNAFSA-N 1 3 328.500 3.759 20 0 EHADHO COC[C@H](CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C(C)C ZINC001176567586 1132968353 /nfs/dbraw/zinc/96/83/53/1132968353.db2.gz OLYQIHDULBLOOX-FQEVSTJZSA-N 1 3 344.543 3.992 20 0 EHADHO COC[C@H](C[NH+]1CCC(c2ccccc2)(N2CCCC2)CC1)C(C)C ZINC001176567586 1132968355 /nfs/dbraw/zinc/96/83/55/1132968355.db2.gz OLYQIHDULBLOOX-FQEVSTJZSA-N 1 3 344.543 3.992 20 0 EHADHO CSc1cc(Br)ccc1C[NH2+]CC(C)(C)CN(C)C ZINC001177092330 1133031527 /nfs/dbraw/zinc/03/15/27/1133031527.db2.gz CERJCXVFWOCYAU-UHFFFAOYSA-N 1 3 345.350 3.848 20 0 EHADHO C[C@@]1(C[NH3+])CCCN(C/C(Br)=C/c2ccccc2)CC1 ZINC001206295141 1133037084 /nfs/dbraw/zinc/03/70/84/1133037084.db2.gz LSRIFZWVSXQNLT-TXQCQQFXSA-N 1 3 337.305 3.873 20 0 EHADHO C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001170134426 1134408788 /nfs/dbraw/zinc/40/87/88/1134408788.db2.gz BYUMYGYXWMWAKB-KURKYZTESA-N 1 3 348.556 3.992 20 0 EHADHO CC(C)(C[NH2+][C@@H](c1ccccc1)C1CCOCC1)CN1CCCC1 ZINC000790751161 1134462169 /nfs/dbraw/zinc/46/21/69/1134462169.db2.gz SXMIXJZHCSVNKV-FQEVSTJZSA-N 1 3 330.516 3.866 20 0 EHADHO CC(C)(CN[C@@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000790751161 1134462173 /nfs/dbraw/zinc/46/21/73/1134462173.db2.gz SXMIXJZHCSVNKV-FQEVSTJZSA-N 1 3 330.516 3.866 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)ccc1OC ZINC000775390914 1134705188 /nfs/dbraw/zinc/70/51/88/1134705188.db2.gz RNLFGYLRRSMUDU-UZLBHIALSA-N 1 3 334.504 3.614 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001170417916 1134770494 /nfs/dbraw/zinc/77/04/94/1134770494.db2.gz NFQVZUJEKJPVDM-MRXNPFEDSA-N 1 3 346.515 3.977 20 0 EHADHO CC[C@@H](C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000810258576 1135944263 /nfs/dbraw/zinc/94/42/63/1135944263.db2.gz QYVIGNSIVQKREH-APWZRJJASA-N 1 3 334.504 3.757 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CC23CCC(CC2)C3)CC1 ZINC001201787686 1136066301 /nfs/dbraw/zinc/06/63/01/1136066301.db2.gz SNQQXSLGOIMKRS-UHFFFAOYSA-N 1 3 341.543 3.889 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811475292 1136095967 /nfs/dbraw/zinc/09/59/67/1136095967.db2.gz ZSWBWVSUTRRJCM-CYBMUJFWSA-N 1 3 330.303 3.990 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811475292 1136095971 /nfs/dbraw/zinc/09/59/71/1136095971.db2.gz ZSWBWVSUTRRJCM-CYBMUJFWSA-N 1 3 330.303 3.990 20 0 EHADHO C[C@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516639 1136276031 /nfs/dbraw/zinc/27/60/31/1136276031.db2.gz HNEUMCZPGUESMJ-QGZVFWFLSA-N 1 3 341.474 3.654 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893945 1136844151 /nfs/dbraw/zinc/84/41/51/1136844151.db2.gz JJJCRUZQSZNTRT-VBKZILBWSA-N 1 3 341.499 3.530 20 0 EHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000817947844 1136850042 /nfs/dbraw/zinc/85/00/42/1136850042.db2.gz CNVLUPADLDHHCW-OAQYLSRUSA-N 1 3 346.478 3.541 20 0 EHADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000817948385 1136850397 /nfs/dbraw/zinc/85/03/97/1136850397.db2.gz IROIEVONMCPGBN-NRFANRHFSA-N 1 3 336.479 3.680 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000817983317 1136854908 /nfs/dbraw/zinc/85/49/08/1136854908.db2.gz AAJHQEGUWZSJQV-UHFFFAOYSA-N 1 3 330.516 3.672 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)cc(C)c1OCc1ccccn1 ZINC000818431450 1136874646 /nfs/dbraw/zinc/87/46/46/1136874646.db2.gz NDQJXJSGVOQWCY-WOJBJXKFSA-N 1 3 339.483 3.637 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000818982443 1136896323 /nfs/dbraw/zinc/89/63/23/1136896323.db2.gz MLMAQIXZABZNKC-IFMALSPDSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982443 1136896327 /nfs/dbraw/zinc/89/63/27/1136896327.db2.gz MLMAQIXZABZNKC-IFMALSPDSA-N 1 3 338.495 3.530 20 0 EHADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015226 1136931372 /nfs/dbraw/zinc/93/13/72/1136931372.db2.gz SZHDFZPLRNJYLC-WOJBJXKFSA-N 1 3 343.515 3.677 20 0 EHADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015226 1136931374 /nfs/dbraw/zinc/93/13/74/1136931374.db2.gz SZHDFZPLRNJYLC-WOJBJXKFSA-N 1 3 343.515 3.677 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc1CN1CCCCC1 ZINC000858592594 1136981219 /nfs/dbraw/zinc/98/12/19/1136981219.db2.gz GRZAEDZLFZHFEW-HLIPFELVSA-N 1 3 346.515 3.757 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000859213147 1137007939 /nfs/dbraw/zinc/00/79/39/1137007939.db2.gz SFJUYPLEYJAIHW-LJQANCHMSA-N 1 3 338.451 3.660 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664619 1137068859 /nfs/dbraw/zinc/06/88/59/1137068859.db2.gz UXZHLQJJFGUSCJ-DXCKQFNASA-N 1 3 345.314 3.831 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664619 1137068860 /nfs/dbraw/zinc/06/88/60/1137068860.db2.gz UXZHLQJJFGUSCJ-DXCKQFNASA-N 1 3 345.314 3.831 20 0 EHADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]CC[S@](=O)C(C)(C)C)CC1 ZINC000823916065 1137118011 /nfs/dbraw/zinc/11/80/11/1137118011.db2.gz VJOBOYFWEJKHIF-QHCPKHFHSA-N 1 3 344.609 3.802 20 0 EHADHO C[NH+](C)CCCC(C)(C)NCc1cnn(Cc2ccccc2)c1Cl ZINC000824914148 1137156484 /nfs/dbraw/zinc/15/64/84/1137156484.db2.gz NCOGLXOMSFSXBN-UHFFFAOYSA-N 1 3 348.922 3.795 20 0 EHADHO c1ccc(CN2CC3(C2)CC[NH+](Cc2ccc4c(c2)COC4)CC3)cc1 ZINC001137028483 1137175478 /nfs/dbraw/zinc/17/54/78/1137175478.db2.gz OQPZMGJSFYOJDW-UHFFFAOYSA-N 1 3 348.490 3.815 20 0 EHADHO Cc1cnc(CNCCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000865717961 1137306374 /nfs/dbraw/zinc/30/63/74/1137306374.db2.gz QDRNPEIGOHZMIS-UHFFFAOYSA-N 1 3 329.513 3.843 20 0 EHADHO CC(C)OCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716688807 1137488723 /nfs/dbraw/zinc/48/87/23/1137488723.db2.gz BCAVXFAZMFXLFQ-HBMCJLEFSA-N 1 3 330.516 3.834 20 0 EHADHO CC(C)[N@H+]([C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)C(C)(C)CN ZINC001171975819 1137525054 /nfs/dbraw/zinc/52/50/54/1137525054.db2.gz GEWGCKAEZUHLOW-LJQANCHMSA-N 1 3 331.548 3.877 20 0 EHADHO CC(C)[N@@H+]([C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)C(C)(C)CN ZINC001171975819 1137525056 /nfs/dbraw/zinc/52/50/56/1137525056.db2.gz GEWGCKAEZUHLOW-LJQANCHMSA-N 1 3 331.548 3.877 20 0 EHADHO CC1(C)C[C@@H](NCCOC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977226 1137525349 /nfs/dbraw/zinc/52/53/49/1137525349.db2.gz ZFVAJFBMQQCOGM-IBGZPJMESA-N 1 3 330.516 3.978 20 0 EHADHO CC1(C)C[C@@H](NCCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977226 1137525351 /nfs/dbraw/zinc/52/53/51/1137525351.db2.gz ZFVAJFBMQQCOGM-IBGZPJMESA-N 1 3 330.516 3.978 20 0 EHADHO COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001172107011 1137537140 /nfs/dbraw/zinc/53/71/40/1137537140.db2.gz SFNSGMUUKQXRET-QDMKHBRRSA-N 1 3 342.405 3.819 20 0 EHADHO COCCN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)c1ccccc1 ZINC000873202904 1137593989 /nfs/dbraw/zinc/59/39/89/1137593989.db2.gz HUIKZCRHPNOMQC-HNNXBMFYSA-N 1 3 330.497 3.603 20 0 EHADHO COc1cccc(C2(NCc3cc4c(s3)CC[NH2+]C4)CCC2)c1 ZINC000873212571 1137594070 /nfs/dbraw/zinc/59/40/70/1137594070.db2.gz NZXZCLMCPUNTBC-UHFFFAOYSA-N 1 3 328.481 3.571 20 0 EHADHO COc1cccc([C@H](NC[C@H]2C[C@@H]([NH3+])C2)c2ccccc2Cl)c1 ZINC000873249579 1137595279 /nfs/dbraw/zinc/59/52/79/1137595279.db2.gz BAVHNMTUSJRUTE-OHNRDTAOSA-N 1 3 330.859 3.765 20 0 EHADHO CCc1ccc([C@H](CC)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247706 1137595293 /nfs/dbraw/zinc/59/52/93/1137595293.db2.gz SGANDICLWXWCTF-NRFANRHFSA-N 1 3 349.482 3.529 20 0 EHADHO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000876930458 1137665537 /nfs/dbraw/zinc/66/55/37/1137665537.db2.gz XCGHXLLWQHAAFR-MRXNPFEDSA-N 1 3 345.487 3.608 20 0 EHADHO Cc1ccccc1C[NH+]1CCC(NC[C@H]2CC2(Cl)Cl)CC1 ZINC000876941332 1137665927 /nfs/dbraw/zinc/66/59/27/1137665927.db2.gz KLZCYFDKZKNZPE-OAHLLOKOSA-N 1 3 327.299 3.743 20 0 EHADHO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877085357 1137669930 /nfs/dbraw/zinc/66/99/30/1137669930.db2.gz UJTUMFZPSZVAJS-OYHNWAKOSA-N 1 3 330.453 3.706 20 0 EHADHO CC(C)CN(Cc1nnc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000879702310 1137755608 /nfs/dbraw/zinc/75/56/08/1137755608.db2.gz JRENLSVNDGXSSR-UHFFFAOYSA-N 1 3 342.487 3.536 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000348441173 1138463704 /nfs/dbraw/zinc/46/37/04/1138463704.db2.gz UBQHECSDJQQSOQ-KRWDZBQOSA-N 1 3 340.515 3.953 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789494 1140993172 /nfs/dbraw/zinc/99/31/72/1140993172.db2.gz TXQYFGWXGCHFIL-KGLIPLIRSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402505 1141218678 /nfs/dbraw/zinc/21/86/78/1141218678.db2.gz AHLZOWSTHJQZED-FGSXEWAUSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402505 1141218683 /nfs/dbraw/zinc/21/86/83/1141218683.db2.gz AHLZOWSTHJQZED-FGSXEWAUSA-N 1 3 338.495 3.883 20 0 EHADHO COc1ccc2[nH]cc(C3=CC[N@H+](CC[C@H]4CCCN4C)CC3)c2c1 ZINC000271340196 1141348072 /nfs/dbraw/zinc/34/80/72/1141348072.db2.gz WYLVWGSDGDFATG-QGZVFWFLSA-N 1 3 339.483 3.750 20 0 EHADHO COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@H]4CCCN4C)CC3)c2c1 ZINC000271340196 1141348080 /nfs/dbraw/zinc/34/80/80/1141348080.db2.gz WYLVWGSDGDFATG-QGZVFWFLSA-N 1 3 339.483 3.750 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000283267854 1141581430 /nfs/dbraw/zinc/58/14/30/1141581430.db2.gz LALKYIRRGHCRRU-NQIIRXRSSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000283267854 1141581431 /nfs/dbraw/zinc/58/14/31/1141581431.db2.gz LALKYIRRGHCRRU-NQIIRXRSSA-N 1 3 347.522 3.625 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(Br)cc1 ZINC000037643712 202023545 /nfs/dbraw/zinc/02/35/45/202023545.db2.gz VHFKCYBQLDTKLS-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643712 202023549 /nfs/dbraw/zinc/02/35/49/202023549.db2.gz VHFKCYBQLDTKLS-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643712 202023550 /nfs/dbraw/zinc/02/35/50/202023550.db2.gz VHFKCYBQLDTKLS-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000339490972 1014579663 /nfs/dbraw/zinc/57/96/63/1014579663.db2.gz SWQCCUSWVZTSOW-QUCCMNQESA-N 1 3 330.516 3.551 20 0 EHADHO c1ccc(COCCCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001208803515 1015369079 /nfs/dbraw/zinc/36/90/79/1015369079.db2.gz GNIIDVHZVPSZGC-UHFFFAOYSA-N 1 3 339.483 3.591 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657838043 1032126873 /nfs/dbraw/zinc/12/68/73/1032126873.db2.gz NBRPRGAKEXLEIU-PXNSSMCTSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657838043 1032126883 /nfs/dbraw/zinc/12/68/83/1032126883.db2.gz NBRPRGAKEXLEIU-PXNSSMCTSA-N 1 3 328.500 3.720 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CNC(c1ccccc1)c1ccccc1 ZINC000180735210 1016032509 /nfs/dbraw/zinc/03/25/09/1016032509.db2.gz ZHNWPWXXVRZICD-HXUWFJFHSA-N 1 3 326.484 3.722 20 0 EHADHO Cn1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449085984 1032146489 /nfs/dbraw/zinc/14/64/89/1032146489.db2.gz AVFKCQNTDUWKFI-UHFFFAOYSA-N 1 3 344.478 3.579 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615858 1032173293 /nfs/dbraw/zinc/17/32/93/1032173293.db2.gz BIVDTYGUSFRWMQ-PGRDOPGGSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615858 1032173307 /nfs/dbraw/zinc/17/33/07/1032173307.db2.gz BIVDTYGUSFRWMQ-PGRDOPGGSA-N 1 3 338.495 3.976 20 0 EHADHO Cc1ccsc1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536709410 1032187338 /nfs/dbraw/zinc/18/73/38/1032187338.db2.gz AKWUGOYVHYODDA-IRXDYDNUSA-N 1 3 336.545 3.768 20 0 EHADHO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccs1 ZINC000536846407 1032341443 /nfs/dbraw/zinc/34/14/43/1032341443.db2.gz PGPLKWNHOIWSON-OKZBNKHCSA-N 1 3 336.545 3.803 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@H]3CCC[C@@H](C)C3)CC1)C2 ZINC000459692376 1032419268 /nfs/dbraw/zinc/41/92/68/1032419268.db2.gz GYAAUYBUJWNYGB-AHRSYUTCSA-N 1 3 342.527 3.795 20 0 EHADHO COC(=O)C(C)(C)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449314392 1032448248 /nfs/dbraw/zinc/44/82/48/1032448248.db2.gz CQFUSDJOYPJUIB-UHFFFAOYSA-N 1 3 340.552 3.845 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc2cc1OC ZINC000657859583 1032510182 /nfs/dbraw/zinc/51/01/82/1032510182.db2.gz WGLDTKOXKSOMLE-GJZGRUSLSA-N 1 3 330.472 3.848 20 0 EHADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1COc2ccccc21 ZINC000090845375 1032601960 /nfs/dbraw/zinc/60/19/60/1032601960.db2.gz HAROGUDBQMWTDG-OXQOHEQNSA-N 1 3 328.500 3.938 20 0 EHADHO CC(C)[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000091287587 1032681851 /nfs/dbraw/zinc/68/18/51/1032681851.db2.gz DALLBMUVVYFWLZ-FQEVSTJZSA-N 1 3 327.472 3.509 20 0 EHADHO CC(C)[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716488 1017450656 /nfs/dbraw/zinc/45/06/56/1017450656.db2.gz UIIYCJNFYYYSGC-APWZRJJASA-N 1 3 336.907 3.880 20 0 EHADHO c1cn(Cc2ccc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)cn1 ZINC000415080413 1017521831 /nfs/dbraw/zinc/52/18/31/1017521831.db2.gz JFZSVNCPMNUNCX-FCHUYYIVSA-N 1 3 346.478 3.514 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470278 1017968135 /nfs/dbraw/zinc/96/81/35/1017968135.db2.gz NKKZNZBDSYLNFK-UYAOXDASSA-N 1 3 342.527 3.693 20 0 EHADHO CCCN(Cc1c(-c2ccccc2)nc2ccccn21)C1CC[NH2+]CC1 ZINC000433851665 1019707294 /nfs/dbraw/zinc/70/72/94/1019707294.db2.gz CMIADOZPNOSWGB-UHFFFAOYSA-N 1 3 348.494 3.965 20 0 EHADHO CCC[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CCNCC1 ZINC000433851665 1019707311 /nfs/dbraw/zinc/70/73/11/1019707311.db2.gz CMIADOZPNOSWGB-UHFFFAOYSA-N 1 3 348.494 3.965 20 0 EHADHO CCC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CCNCC1 ZINC000433851665 1019707327 /nfs/dbraw/zinc/70/73/27/1019707327.db2.gz CMIADOZPNOSWGB-UHFFFAOYSA-N 1 3 348.494 3.965 20 0 EHADHO COCc1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513487458 1019745072 /nfs/dbraw/zinc/74/50/72/1019745072.db2.gz FDGASMVVTLDWPT-IEBWSBKVSA-N 1 3 342.483 3.816 20 0 EHADHO COCc1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487458 1019745085 /nfs/dbraw/zinc/74/50/85/1019745085.db2.gz FDGASMVVTLDWPT-IEBWSBKVSA-N 1 3 342.483 3.816 20 0 EHADHO c1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)nc1 ZINC000449613533 1032884647 /nfs/dbraw/zinc/88/46/47/1032884647.db2.gz BUQWKMHPYCDYCI-WIYYLYMNSA-N 1 3 343.515 3.688 20 0 EHADHO c1ccc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)nc1 ZINC000449613533 1032884665 /nfs/dbraw/zinc/88/46/65/1032884665.db2.gz BUQWKMHPYCDYCI-WIYYLYMNSA-N 1 3 343.515 3.688 20 0 EHADHO Brc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091284523 1020824308 /nfs/dbraw/zinc/82/43/08/1020824308.db2.gz MQUDPTRDNUSGPH-PXAZEXFGSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000091284523 1020824319 /nfs/dbraw/zinc/82/43/19/1020824319.db2.gz MQUDPTRDNUSGPH-PXAZEXFGSA-N 1 3 335.289 3.510 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000581515884 1021035630 /nfs/dbraw/zinc/03/56/30/1021035630.db2.gz NDHWQTBDDSDWNR-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000581515884 1021035636 /nfs/dbraw/zinc/03/56/36/1021035636.db2.gz NDHWQTBDDSDWNR-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO COc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1OC(C)C ZINC000656786553 1021333336 /nfs/dbraw/zinc/33/33/36/1021333336.db2.gz UIFIFWJFKCZDIZ-SFHVURJKSA-N 1 3 346.515 3.694 20 0 EHADHO NCc1cc(-c2ccccc2)nn1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964503 1021437836 /nfs/dbraw/zinc/43/78/36/1021437836.db2.gz RIPBQHKNCSLWMT-DFNIBXOVSA-N 1 3 336.483 3.587 20 0 EHADHO NCc1cc(-c2ccccc2)nn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964503 1021437841 /nfs/dbraw/zinc/43/78/41/1021437841.db2.gz RIPBQHKNCSLWMT-DFNIBXOVSA-N 1 3 336.483 3.587 20 0 EHADHO CSC1(CN[C@@H]2CCc3ccc(F)c(Cl)c32)CC[NH+](C)CC1 ZINC000593630958 1032988839 /nfs/dbraw/zinc/98/88/39/1032988839.db2.gz YGXQOLCSODMOML-CQSZACIVSA-N 1 3 342.911 3.883 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000518805887 1021573666 /nfs/dbraw/zinc/57/36/66/1021573666.db2.gz BEKUJKWJHFOWLY-INIZCTEOSA-N 1 3 334.504 3.927 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000519381525 1022055200 /nfs/dbraw/zinc/05/52/00/1022055200.db2.gz SIPNKJRXJYABFO-ZYSHUDEJSA-N 1 3 335.923 3.584 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000449679330 1033030382 /nfs/dbraw/zinc/03/03/82/1033030382.db2.gz DKDMETJOSSTLKI-CMOCDZPBSA-N 1 3 342.527 3.693 20 0 EHADHO FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000425918419 1022202461 /nfs/dbraw/zinc/20/24/61/1022202461.db2.gz FAZHKFKSPAFMPO-GUDVDZBRSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)CN(C)C ZINC000425931409 1022259157 /nfs/dbraw/zinc/25/91/57/1022259157.db2.gz LMUZSKOCBSSLQH-KXBFYZLASA-N 1 3 331.891 3.806 20 0 EHADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976684 1022407457 /nfs/dbraw/zinc/40/74/57/1022407457.db2.gz SAEHGRVILLDCRZ-BPQIPLTHSA-N 1 3 340.471 3.509 20 0 EHADHO C[C@@H]1C[C@H](N(C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833603 1022748208 /nfs/dbraw/zinc/74/82/08/1022748208.db2.gz RBDRXMJNZRYMGW-IEBWSBKVSA-N 1 3 346.515 3.703 20 0 EHADHO C[C@@H]1C[C@H](N(C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833603 1022748213 /nfs/dbraw/zinc/74/82/13/1022748213.db2.gz RBDRXMJNZRYMGW-IEBWSBKVSA-N 1 3 346.515 3.703 20 0 EHADHO Cc1ncsc1CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471871708 1022777553 /nfs/dbraw/zinc/77/75/53/1022777553.db2.gz MPFBPCNLVPBUEC-MOPGFXCFSA-N 1 3 343.540 3.666 20 0 EHADHO Cc1ncsc1CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471871708 1022777570 /nfs/dbraw/zinc/77/75/70/1022777570.db2.gz MPFBPCNLVPBUEC-MOPGFXCFSA-N 1 3 343.540 3.666 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510653871 1022834503 /nfs/dbraw/zinc/83/45/03/1022834503.db2.gz UNTZFEFUFPXDKV-ZMSDIMECSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3NCCc4ccccc43)CC2)C1 ZINC000414954348 1023010896 /nfs/dbraw/zinc/01/08/96/1023010896.db2.gz LFBIKDDDZMOUOI-ZNLUXHQJSA-N 1 3 341.543 3.506 20 0 EHADHO COc1ccccc1[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984265 1023080386 /nfs/dbraw/zinc/08/03/86/1023080386.db2.gz MHNNDYWQOAAIDM-GURQWTFNSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccccc1[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984265 1023080398 /nfs/dbraw/zinc/08/03/98/1023080398.db2.gz MHNNDYWQOAAIDM-GURQWTFNSA-N 1 3 340.511 3.890 20 0 EHADHO C[NH+](C)CCc1ccc(-c2cc(NCCc3ccccn3)ccn2)cc1 ZINC000593954999 1033123516 /nfs/dbraw/zinc/12/35/16/1033123516.db2.gz WDGXGYKZTNLRME-UHFFFAOYSA-N 1 3 346.478 3.902 20 0 EHADHO C[C@H]1CC2(CC([NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)CO1 ZINC000897773121 1033160382 /nfs/dbraw/zinc/16/03/82/1033160382.db2.gz GOWHRVMHVTWCFN-IKCASOAWSA-N 1 3 340.511 3.587 20 0 EHADHO C[C@H]1CC2(CC([NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)CO1 ZINC000897773123 1033160533 /nfs/dbraw/zinc/16/05/33/1033160533.db2.gz GOWHRVMHVTWCFN-ZLCDIEIASA-N 1 3 340.511 3.587 20 0 EHADHO c1cc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)ccn1 ZINC001168004669 1024238333 /nfs/dbraw/zinc/23/83/33/1024238333.db2.gz XAVNFFQHSQXKTC-CBQGHPETSA-N 1 3 339.527 3.742 20 0 EHADHO c1cc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)ccn1 ZINC001168004669 1024238343 /nfs/dbraw/zinc/23/83/43/1024238343.db2.gz XAVNFFQHSQXKTC-CBQGHPETSA-N 1 3 339.527 3.742 20 0 EHADHO c1cc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001168004669 1024238356 /nfs/dbraw/zinc/23/83/56/1024238356.db2.gz XAVNFFQHSQXKTC-CBQGHPETSA-N 1 3 339.527 3.742 20 0 EHADHO CCn1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000892007403 1024325934 /nfs/dbraw/zinc/32/59/34/1024325934.db2.gz IFAZWUJGSGWYQL-DYESRHJHSA-N 1 3 340.515 3.696 20 0 EHADHO CCn1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000892007403 1024325947 /nfs/dbraw/zinc/32/59/47/1024325947.db2.gz IFAZWUJGSGWYQL-DYESRHJHSA-N 1 3 340.515 3.696 20 0 EHADHO C[C@@H]1CC([NH2+]Cc2ccnc(F)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168024457 1024332070 /nfs/dbraw/zinc/33/20/70/1024332070.db2.gz GVPVKZKAHAKYOP-HZPDHXFCSA-N 1 3 327.447 3.752 20 0 EHADHO c1ccc2c(c1)CC[C@@H]2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346600 1024345673 /nfs/dbraw/zinc/34/56/73/1024345673.db2.gz KMVXZFRTGYIHKT-OAQYLSRUSA-N 1 3 335.495 3.613 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000443656914 1024360829 /nfs/dbraw/zinc/36/08/29/1024360829.db2.gz LXPSVIJMIGUHOM-RDJZCZTQSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000443656914 1024360847 /nfs/dbraw/zinc/36/08/47/1024360847.db2.gz LXPSVIJMIGUHOM-RDJZCZTQSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1ccc2cc(CNCc3ccc(OCC[NH+](C)C)cc3)[nH]c2c1 ZINC000657315498 1025084382 /nfs/dbraw/zinc/08/43/82/1025084382.db2.gz NUOYBFJFDGOWKX-UHFFFAOYSA-N 1 3 337.467 3.707 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346838876 1025227439 /nfs/dbraw/zinc/22/74/39/1025227439.db2.gz RTPBERPEQQNCCF-DBVUQKKJSA-N 1 3 338.499 3.555 20 0 EHADHO CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CO1 ZINC000657354833 1025428152 /nfs/dbraw/zinc/42/81/52/1025428152.db2.gz VVTKHZQEGFANFS-ROUUACIJSA-N 1 3 336.907 3.709 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709800 1025436050 /nfs/dbraw/zinc/43/60/50/1025436050.db2.gz BCXZALKIUZPMSB-BBWFWOEESA-N 1 3 325.500 3.593 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709800 1025436053 /nfs/dbraw/zinc/43/60/53/1025436053.db2.gz BCXZALKIUZPMSB-BBWFWOEESA-N 1 3 325.500 3.593 20 0 EHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442779239 1025473809 /nfs/dbraw/zinc/47/38/09/1025473809.db2.gz LORYWUVHCXCCRQ-BRWVUGGUSA-N 1 3 337.467 3.669 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530230596 1025502342 /nfs/dbraw/zinc/50/23/42/1025502342.db2.gz HXJLTVJBWPAMFU-KPQWGBOZSA-N 1 3 344.543 3.785 20 0 EHADHO Clc1oc2ccccc2c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243450 1025535443 /nfs/dbraw/zinc/53/54/43/1025535443.db2.gz RPCMSPFLPOFDCV-HNNXBMFYSA-N 1 3 348.874 3.677 20 0 EHADHO CN1CCN(CC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1(C)C ZINC000442879410 1025559619 /nfs/dbraw/zinc/55/96/19/1025559619.db2.gz VSLUTQHOHBBBDX-HXUWFJFHSA-N 1 3 329.532 3.534 20 0 EHADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000582360707 1025955195 /nfs/dbraw/zinc/95/51/95/1025955195.db2.gz BJPSZWYYZBKMQG-MRXNPFEDSA-N 1 3 349.247 3.824 20 0 EHADHO CCN1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000037644381 1026027801 /nfs/dbraw/zinc/02/78/01/1026027801.db2.gz NUCXYVBBWDKNAT-BZOOQXSSSA-N 1 3 337.305 3.627 20 0 EHADHO C[NH+]1CCC2(CCCN2Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000475122662 1026217796 /nfs/dbraw/zinc/21/77/96/1026217796.db2.gz UMULGJAOZMIOJV-UHFFFAOYSA-N 1 3 344.499 3.702 20 0 EHADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000475122662 1026217809 /nfs/dbraw/zinc/21/78/09/1026217809.db2.gz UMULGJAOZMIOJV-UHFFFAOYSA-N 1 3 344.499 3.702 20 0 EHADHO CN1CCC2(CCC[N@H+]2Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000475122662 1026217822 /nfs/dbraw/zinc/21/78/22/1026217822.db2.gz UMULGJAOZMIOJV-UHFFFAOYSA-N 1 3 344.499 3.702 20 0 EHADHO C[C@@H](NCc1cc(Cl)ccc1Br)C1CC[NH+](C)CC1 ZINC000396450824 1026592833 /nfs/dbraw/zinc/59/28/33/1026592833.db2.gz IVMQVPXIWZFFQH-LLVKDONJSA-N 1 3 345.712 3.922 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378168 1026841249 /nfs/dbraw/zinc/84/12/49/1026841249.db2.gz DDHFJWMIGGFMRL-CZUORRHYSA-N 1 3 325.294 3.754 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378168 1026841257 /nfs/dbraw/zinc/84/12/57/1026841257.db2.gz DDHFJWMIGGFMRL-CZUORRHYSA-N 1 3 325.294 3.754 20 0 EHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc(-c2ccccc2)nn1C ZINC000453073961 1027290556 /nfs/dbraw/zinc/29/05/56/1027290556.db2.gz NYNDXQRQEYTKPE-QGZVFWFLSA-N 1 3 348.494 4.000 20 0 EHADHO CCC[NH+]1CCC(CN[C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453108088 1027375053 /nfs/dbraw/zinc/37/50/53/1027375053.db2.gz MYAPNVAAVJROAG-QGZVFWFLSA-N 1 3 340.515 3.860 20 0 EHADHO CCN(C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1cccc(O)c1 ZINC000420299128 1027449746 /nfs/dbraw/zinc/44/97/46/1027449746.db2.gz GJDHLMTXQYPPIV-CRAIPNDOSA-N 1 3 328.456 3.526 20 0 EHADHO c1ccc(Oc2cccnc2)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420340186 1027473745 /nfs/dbraw/zinc/47/37/45/1027473745.db2.gz SBZDGBIXPNVWPF-HXUWFJFHSA-N 1 3 337.467 3.838 20 0 EHADHO Cc1cc(Cl)ccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595813 1027572551 /nfs/dbraw/zinc/57/25/51/1027572551.db2.gz KHVAUAFFVIBLEQ-HXUWFJFHSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(Cl)ccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595813 1027572567 /nfs/dbraw/zinc/57/25/67/1027572567.db2.gz KHVAUAFFVIBLEQ-HXUWFJFHSA-N 1 3 344.886 3.505 20 0 EHADHO C/C(=C\c1ccccc1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612259 1027626333 /nfs/dbraw/zinc/62/63/33/1027626333.db2.gz KQICHXZBECJOMF-XDJHFCHBSA-N 1 3 335.495 3.987 20 0 EHADHO Fc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000657612645 1027648846 /nfs/dbraw/zinc/64/88/46/1027648846.db2.gz CBUYDTNMZZBJEG-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422739648 1027904715 /nfs/dbraw/zinc/90/47/15/1027904715.db2.gz ALXNVHFUNCDWJV-XJKSGUPXSA-N 1 3 337.305 3.588 20 0 EHADHO Cc1cccc2nc(CCNC3CC[NH+](C4CCCCC4)CC3)cn21 ZINC000647263074 1027905002 /nfs/dbraw/zinc/90/50/02/1027905002.db2.gz DQBPIEGCOKEVSE-UHFFFAOYSA-N 1 3 340.515 3.572 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc(C(C)(C)C)cs1 ZINC000422747920 1027915330 /nfs/dbraw/zinc/91/53/30/1027915330.db2.gz ZWESPIBHXRJBOZ-GOEBONIOSA-N 1 3 331.529 3.531 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCSc1ccc(F)cc1 ZINC000422763554 1027944781 /nfs/dbraw/zinc/94/47/81/1027944781.db2.gz OVLNVNJKIJVLOG-KXBFYZLASA-N 1 3 332.488 3.856 20 0 EHADHO FC(F)(F)c1csc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422800868 1027950518 /nfs/dbraw/zinc/95/05/18/1027950518.db2.gz AOQGELJLRZCKLY-RWMBFGLXSA-N 1 3 347.450 3.605 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000422799566 1027951123 /nfs/dbraw/zinc/95/11/23/1027951123.db2.gz XJRXDLUMMWSKML-CHWSQXEVSA-N 1 3 333.863 3.620 20 0 EHADHO COc1cc(C)c([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422852283 1027987105 /nfs/dbraw/zinc/98/71/05/1027987105.db2.gz AHRYLAUTGGPVDG-HIFRSBDPSA-N 1 3 343.471 3.586 20 0 EHADHO [NH3+]CC1CCC(N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000422884949 1028018675 /nfs/dbraw/zinc/01/86/75/1028018675.db2.gz GCVWOKKWQFTMOJ-ITXXBFQVSA-N 1 3 329.875 3.932 20 0 EHADHO Cc1cc(C)n(-c2ccc(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)n1 ZINC000422869551 1028028700 /nfs/dbraw/zinc/02/87/00/1028028700.db2.gz XKGJJIDYHGXBIG-VXKWHMMOSA-N 1 3 346.478 3.766 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255784 1028031592 /nfs/dbraw/zinc/03/15/92/1028031592.db2.gz NTCYFPVZKCYAPA-RXVVDRJESA-N 1 3 328.500 3.706 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000502255784 1028031602 /nfs/dbraw/zinc/03/16/02/1028031602.db2.gz NTCYFPVZKCYAPA-RXVVDRJESA-N 1 3 328.500 3.706 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000422914997 1028050760 /nfs/dbraw/zinc/05/07/60/1028050760.db2.gz AEUWSRLOZWYUGI-OLZOCXBDSA-N 1 3 333.863 3.620 20 0 EHADHO Cc1ccc(OCCCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422894972 1028052107 /nfs/dbraw/zinc/05/21/07/1028052107.db2.gz DTLLWKVAHDIKTL-MRXNPFEDSA-N 1 3 327.472 3.667 20 0 EHADHO C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422925105 1028055689 /nfs/dbraw/zinc/05/56/89/1028055689.db2.gz VCCSOALJUFJECU-RTXHNSRMSA-N 1 3 348.918 3.784 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000502283906 1028057665 /nfs/dbraw/zinc/05/76/65/1028057665.db2.gz QYVLVFIPZYCMHF-GOSISDBHSA-N 1 3 348.531 3.655 20 0 EHADHO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422934710 1028064850 /nfs/dbraw/zinc/06/48/50/1028064850.db2.gz GHLAFTOGDVKBQR-XOBRGWDASA-N 1 3 325.456 3.659 20 0 EHADHO c1ccc(C2(N[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)cc1 ZINC000422943181 1028069489 /nfs/dbraw/zinc/06/94/89/1028069489.db2.gz QMUFIABRONYAAK-CTNGQTDRSA-N 1 3 334.463 3.911 20 0 EHADHO N[C@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422951335 1028089652 /nfs/dbraw/zinc/08/96/52/1028089652.db2.gz YDOGQOBYPRPFQL-OALUTQOASA-N 1 3 337.398 3.758 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccccc1C(C)(C)C ZINC000422961065 1028097078 /nfs/dbraw/zinc/09/70/78/1028097078.db2.gz YKBQPGOBTGVINX-OAHLLOKOSA-N 1 3 341.499 3.876 20 0 EHADHO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423087205 1028173671 /nfs/dbraw/zinc/17/36/71/1028173671.db2.gz PAOWOWMWWLROHP-VQIMIIECSA-N 1 3 341.499 3.537 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000423127435 1028192784 /nfs/dbraw/zinc/19/27/84/1028192784.db2.gz TVVDRUMMODQRLK-BLLLJJGKSA-N 1 3 331.287 3.788 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423130294 1028196301 /nfs/dbraw/zinc/19/63/01/1028196301.db2.gz GOIDDBGSKVCTIA-WDEREUQCSA-N 1 3 345.712 3.850 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000423138822 1028224764 /nfs/dbraw/zinc/22/47/64/1028224764.db2.gz UJLOKUNELTWLRW-CYBMUJFWSA-N 1 3 325.481 3.957 20 0 EHADHO Cc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1Br ZINC000423161272 1028234935 /nfs/dbraw/zinc/23/49/35/1028234935.db2.gz IOINKRXYSXZERI-GFCCVEGCSA-N 1 3 348.288 3.770 20 0 EHADHO C[C@H](N[C@@H]1CCCc2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423215871 1028281624 /nfs/dbraw/zinc/28/16/24/1028281624.db2.gz NSZAJWIZXZWONL-DXCKQFNASA-N 1 3 337.305 3.804 20 0 EHADHO CCN1CCC([N@@H+]2CCCN(C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000421368771 1028326386 /nfs/dbraw/zinc/32/63/86/1028326386.db2.gz GKPMHASGEOECFP-CZIZESTLSA-N 1 3 341.543 3.582 20 0 EHADHO CCN1CCC([N@H+]2CCCN(C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000421368771 1028326400 /nfs/dbraw/zinc/32/64/00/1028326400.db2.gz GKPMHASGEOECFP-CZIZESTLSA-N 1 3 341.543 3.582 20 0 EHADHO C[C@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730536 1028335131 /nfs/dbraw/zinc/33/51/31/1028335131.db2.gz DSWPKNOHRMZEGL-CZUORRHYSA-N 1 3 325.294 3.627 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)c1OC ZINC000423294174 1028351886 /nfs/dbraw/zinc/35/18/86/1028351886.db2.gz TXEXZOWBEUFSTH-HUUCEWRRSA-N 1 3 328.456 3.883 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423387764 1028401757 /nfs/dbraw/zinc/40/17/57/1028401757.db2.gz IEIVEBOKRXUBNG-VDNDLQMASA-N 1 3 326.406 3.929 20 0 EHADHO COC[C@]1(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)CCCN1 ZINC000423421191 1028415793 /nfs/dbraw/zinc/41/57/93/1028415793.db2.gz JXCMSGCIRFEELF-XMSQKQJNSA-N 1 3 338.495 3.565 20 0 EHADHO Fc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777981 1028878192 /nfs/dbraw/zinc/87/81/92/1028878192.db2.gz ISQUSCONTBVHLS-QWHCGFSZSA-N 1 3 330.369 3.666 20 0 EHADHO C[C@@H]1CC2(CN1Cc1ccc(F)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368515 1029032637 /nfs/dbraw/zinc/03/26/37/1029032637.db2.gz AFJPEPIXZUCASS-GFCCVEGCSA-N 1 3 330.369 3.809 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000414807255 1029249656 /nfs/dbraw/zinc/24/96/56/1029249656.db2.gz IWDQKRCERATHJK-HRAATJIYSA-N 1 3 340.467 3.554 20 0 EHADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000161639964 1029257043 /nfs/dbraw/zinc/25/70/43/1029257043.db2.gz IEQXKVUPTKTIJR-WIYYLYMNSA-N 1 3 329.532 3.504 20 0 EHADHO CCCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC ZINC000414815106 1029339894 /nfs/dbraw/zinc/33/98/94/1029339894.db2.gz WUOFDTJXNXJJJY-OAHLLOKOSA-N 1 3 328.456 3.794 20 0 EHADHO Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000272310100 1029408624 /nfs/dbraw/zinc/40/86/24/1029408624.db2.gz IRORECDHPHJPQW-TWOQFEAHSA-N 1 3 338.499 3.655 20 0 EHADHO Fc1cc(Br)cc([C@H]2CCCN2CC2CC[NH2+]CC2)c1 ZINC000262016318 1029550428 /nfs/dbraw/zinc/55/04/28/1029550428.db2.gz VSTMDXFOVYIBKU-MRXNPFEDSA-N 1 3 341.268 3.725 20 0 EHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000162604141 1029798873 /nfs/dbraw/zinc/79/88/73/1029798873.db2.gz BNRXXHZWXRKYTK-VFNWGFHPSA-N 1 3 342.458 3.789 20 0 EHADHO CCc1ccc([C@H](CC)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937105 1030198792 /nfs/dbraw/zinc/19/87/92/1030198792.db2.gz QYHJCCMDGWHOOG-FQEVSTJZSA-N 1 3 341.499 3.825 20 0 EHADHO FC(F)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000631123491 1030262250 /nfs/dbraw/zinc/26/22/50/1030262250.db2.gz IBMXLDUYVUPKPQ-KRWDZBQOSA-N 1 3 331.410 3.631 20 0 EHADHO [NH3+][C@H]1CCC[C@@H]1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625175 1030286001 /nfs/dbraw/zinc/28/60/01/1030286001.db2.gz ORFZJCKTBMTIEE-VXKWHMMOSA-N 1 3 346.478 3.568 20 0 EHADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625175 1030286008 /nfs/dbraw/zinc/28/60/08/1030286008.db2.gz ORFZJCKTBMTIEE-VXKWHMMOSA-N 1 3 346.478 3.568 20 0 EHADHO C[N@H+](CCCCNCc1csc(-c2ccc(F)cc2)n1)C1CC1 ZINC000453603201 1030389904 /nfs/dbraw/zinc/38/99/04/1030389904.db2.gz QFOWIIWSCHKNTM-UHFFFAOYSA-N 1 3 333.476 3.913 20 0 EHADHO C[N@@H+](CCCCNCc1csc(-c2ccc(F)cc2)n1)C1CC1 ZINC000453603201 1030389920 /nfs/dbraw/zinc/38/99/20/1030389920.db2.gz QFOWIIWSCHKNTM-UHFFFAOYSA-N 1 3 333.476 3.913 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCc3ccc(C)cc32)[C@H](C)C1 ZINC000122309761 1030585520 /nfs/dbraw/zinc/58/55/20/1030585520.db2.gz XDSORJNOPUWRCV-JRGCBEDISA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3ccc(C)cc32)[C@H](C)C1 ZINC000122309761 1030585530 /nfs/dbraw/zinc/58/55/30/1030585530.db2.gz XDSORJNOPUWRCV-JRGCBEDISA-N 1 3 330.516 3.709 20 0 EHADHO Clc1ccc(OC2CCCC2)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952332 1030858101 /nfs/dbraw/zinc/85/81/01/1030858101.db2.gz RRDFBSZUAQIOJS-SFHVURJKSA-N 1 3 334.891 3.893 20 0 EHADHO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000527534846 1030954818 /nfs/dbraw/zinc/95/48/18/1030954818.db2.gz NNQDUIFPBGNNCS-JOCHJYFZSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000527534846 1030954834 /nfs/dbraw/zinc/95/48/34/1030954834.db2.gz NNQDUIFPBGNNCS-JOCHJYFZSA-N 1 3 335.495 3.878 20 0 EHADHO CCOC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCC1 ZINC000551258917 1031163766 /nfs/dbraw/zinc/16/37/66/1031163766.db2.gz LUOHIUNWERXMOF-QHAWAJNXSA-N 1 3 342.527 3.836 20 0 EHADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263814 1031175642 /nfs/dbraw/zinc/17/56/42/1031175642.db2.gz UELDRLMSUPLTSY-QKNQBKEWSA-N 1 3 344.543 3.939 20 0 EHADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527859335 1031335067 /nfs/dbraw/zinc/33/50/67/1031335067.db2.gz PVPNVQZBFWAOGH-KRWDZBQOSA-N 1 3 340.515 3.860 20 0 EHADHO C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527967274 1031536293 /nfs/dbraw/zinc/53/62/93/1031536293.db2.gz XOJHWHBKGQDRBB-FXAWDEMLSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000168959898 1031954592 /nfs/dbraw/zinc/95/45/92/1031954592.db2.gz CJUVVYKFLHZPOM-XOKHGSTOSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168959898 1031954610 /nfs/dbraw/zinc/95/46/10/1031954610.db2.gz CJUVVYKFLHZPOM-XOKHGSTOSA-N 1 3 337.305 3.597 20 0 EHADHO CCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000536652171 1032037403 /nfs/dbraw/zinc/03/74/03/1032037403.db2.gz ANZBJQPOSYMETL-UHFFFAOYSA-N 1 3 334.504 3.646 20 0 EHADHO CCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000536652171 1032037413 /nfs/dbraw/zinc/03/74/13/1032037413.db2.gz ANZBJQPOSYMETL-UHFFFAOYSA-N 1 3 334.504 3.646 20 0 EHADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000195138347 1032050178 /nfs/dbraw/zinc/05/01/78/1032050178.db2.gz NZQICJLRRKOLQI-GCJKJVERSA-N 1 3 336.479 3.794 20 0 EHADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138347 1032050194 /nfs/dbraw/zinc/05/01/94/1032050194.db2.gz NZQICJLRRKOLQI-GCJKJVERSA-N 1 3 336.479 3.794 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639629 1033801978 /nfs/dbraw/zinc/80/19/78/1033801978.db2.gz MMDLQEZMINRLEN-ZBFHGGJFSA-N 1 3 326.431 3.759 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639629 1033801986 /nfs/dbraw/zinc/80/19/86/1033801986.db2.gz MMDLQEZMINRLEN-ZBFHGGJFSA-N 1 3 326.431 3.759 20 0 EHADHO Cc1nc(C)c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658163774 1034025857 /nfs/dbraw/zinc/02/58/57/1034025857.db2.gz AZCJDKASDBSKJO-AWEZNQCLSA-N 1 3 344.528 3.718 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCC(F)(F)CC2)CC1 ZINC000658323735 1034199185 /nfs/dbraw/zinc/19/91/85/1034199185.db2.gz UMQVGBCTARFJFK-WBVHZDCISA-N 1 3 344.490 3.560 20 0 EHADHO Fc1cc2c(c(F)c1F)[C@@H](NCC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658352601 1034231893 /nfs/dbraw/zinc/23/18/93/1034231893.db2.gz HEIHFJAFURKTBC-INIZCTEOSA-N 1 3 338.417 3.803 20 0 EHADHO CCN(CC)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000570212748 1035127546 /nfs/dbraw/zinc/12/75/46/1035127546.db2.gz VYXNQBHRQOVMLM-QUCCMNQESA-N 1 3 329.532 3.504 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000414082483 1035457440 /nfs/dbraw/zinc/45/74/40/1035457440.db2.gz FPRGJESJQKKWFJ-HNNXBMFYSA-N 1 3 346.906 3.636 20 0 EHADHO c1ccc(COC2CC([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000463568881 1035652925 /nfs/dbraw/zinc/65/29/25/1035652925.db2.gz KSUHLAFGZAZJQO-UHFFFAOYSA-N 1 3 328.500 3.731 20 0 EHADHO Cc1c(Br)cccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000534869891 1035702046 /nfs/dbraw/zinc/70/20/46/1035702046.db2.gz VZNPZHQNSYNUJT-UHFFFAOYSA-N 1 3 339.321 3.921 20 0 EHADHO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000588178064 1035805637 /nfs/dbraw/zinc/80/56/37/1035805637.db2.gz HQMFDJPVFCTGRZ-CAPFRKAQSA-N 1 3 349.522 3.627 20 0 EHADHO Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492518070 1035910621 /nfs/dbraw/zinc/91/06/21/1035910621.db2.gz ZWPFJBOTFRZYEU-TZIWHRDSSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@@H](c1ccccc1F)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709372 1035980726 /nfs/dbraw/zinc/98/07/26/1035980726.db2.gz AIAIUNYRZAIGDH-ZACQAIPSSA-N 1 3 334.479 3.708 20 0 EHADHO COc1cc(OC)c([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000414202840 1036040617 /nfs/dbraw/zinc/04/06/17/1036040617.db2.gz ZIMMQWYSIRRSNZ-KGLIPLIRSA-N 1 3 340.895 3.740 20 0 EHADHO COc1cc(OC)c([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414202840 1036040639 /nfs/dbraw/zinc/04/06/39/1036040639.db2.gz ZIMMQWYSIRRSNZ-KGLIPLIRSA-N 1 3 340.895 3.740 20 0 EHADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H](C)O1 ZINC000414262956 1036345405 /nfs/dbraw/zinc/34/54/05/1036345405.db2.gz PAQQPIWAXZXGLX-SZRRNJMZSA-N 1 3 342.527 3.690 20 0 EHADHO Cc1ccccc1C[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000589641765 1036574448 /nfs/dbraw/zinc/57/44/48/1036574448.db2.gz NVHMWSSBEMYHMG-UHFFFAOYSA-N 1 3 334.467 3.626 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000310269931 1036798887 /nfs/dbraw/zinc/79/88/87/1036798887.db2.gz NCOIEAFSYOUODN-ACRUOGEOSA-N 1 3 330.516 3.693 20 0 EHADHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCCCC1 ZINC000310902670 1036923686 /nfs/dbraw/zinc/92/36/86/1036923686.db2.gz BEJYEEZMZSQWSS-NJDAHSKKSA-N 1 3 342.527 3.572 20 0 EHADHO Brc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542905 1037067885 /nfs/dbraw/zinc/06/78/85/1037067885.db2.gz DQIAXQJZTWAIAF-CHWSQXEVSA-N 1 3 343.334 3.722 20 0 EHADHO Brc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542907 1037068203 /nfs/dbraw/zinc/06/82/03/1037068203.db2.gz DQIAXQJZTWAIAF-QWHCGFSZSA-N 1 3 343.334 3.722 20 0 EHADHO C[C@H](N[C@H]1CCCc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423214277 1037181932 /nfs/dbraw/zinc/18/19/32/1037181932.db2.gz LBAICRMNCYZQNQ-QEORTHHSSA-N 1 3 337.305 3.804 20 0 EHADHO Cc1nc(C)c([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000171129958 1037467165 /nfs/dbraw/zinc/46/71/65/1037467165.db2.gz UASYJLSVORZQOS-CQSZACIVSA-N 1 3 347.528 3.941 20 0 EHADHO Cc1ccc([C@@H]2OCCC[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000532524823 1037550982 /nfs/dbraw/zinc/55/09/82/1037550982.db2.gz ZXQGANNOOKFKLD-RTWAWAEBSA-N 1 3 328.500 3.679 20 0 EHADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030646 1037686975 /nfs/dbraw/zinc/68/69/75/1037686975.db2.gz UDMMLZMWJDPVJT-PKOBYXMFSA-N 1 3 348.531 3.607 20 0 EHADHO CO[C@@H](c1ccccc1)[C@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000493892572 1037713321 /nfs/dbraw/zinc/71/33/21/1037713321.db2.gz XESSDQZWSJAPMB-GHTZIAJQSA-N 1 3 326.484 3.874 20 0 EHADHO CO[C@@H](c1ccccc1)[C@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000493892572 1037713342 /nfs/dbraw/zinc/71/33/42/1037713342.db2.gz XESSDQZWSJAPMB-GHTZIAJQSA-N 1 3 326.484 3.874 20 0 EHADHO C[C@@H]1C[C@@H](NCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133232 1037794303 /nfs/dbraw/zinc/79/43/03/1037794303.db2.gz RPQGEFLRBMYXEU-MJGOQNOKSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[C@@H](NCCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133232 1037794319 /nfs/dbraw/zinc/79/43/19/1037794319.db2.gz RPQGEFLRBMYXEU-MJGOQNOKSA-N 1 3 342.458 3.847 20 0 EHADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000261796588 1038061159 /nfs/dbraw/zinc/06/11/59/1038061159.db2.gz ZNBCYUSIRVVMOR-IBGZPJMESA-N 1 3 325.456 3.614 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001168251508 1038176288 /nfs/dbraw/zinc/17/62/88/1038176288.db2.gz KPMGWEYAECKEAY-IBGZPJMESA-N 1 3 328.500 3.549 20 0 EHADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168251508 1038176294 /nfs/dbraw/zinc/17/62/94/1038176294.db2.gz KPMGWEYAECKEAY-IBGZPJMESA-N 1 3 328.500 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000125165504 1038286551 /nfs/dbraw/zinc/28/65/51/1038286551.db2.gz VCHAIUZPCXIZEM-XLIONFOSSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000125165504 1038286568 /nfs/dbraw/zinc/28/65/68/1038286568.db2.gz VCHAIUZPCXIZEM-XLIONFOSSA-N 1 3 348.494 3.657 20 0 EHADHO COc1nc2ccccc2cc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000538750517 1038514210 /nfs/dbraw/zinc/51/42/10/1038514210.db2.gz HDKGGRYOTQRQAG-UHFFFAOYSA-N 1 3 341.499 3.797 20 0 EHADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000363822917 1038615607 /nfs/dbraw/zinc/61/56/07/1038615607.db2.gz MXGPVQUHSNMHMX-ZIBCJSCZSA-N 1 3 330.516 3.692 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000539042433 1038650921 /nfs/dbraw/zinc/65/09/21/1038650921.db2.gz HMACHRFEVPBKAU-IIBYNOLFSA-N 1 3 342.458 3.835 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000539042433 1038650925 /nfs/dbraw/zinc/65/09/25/1038650925.db2.gz HMACHRFEVPBKAU-IIBYNOLFSA-N 1 3 342.458 3.835 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C[C@@H](C)O1 ZINC000539071459 1038670775 /nfs/dbraw/zinc/67/07/75/1038670775.db2.gz IIJOBEVJGLQCJY-SGLNWRHMSA-N 1 3 348.506 3.941 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C[C@H](C)O1 ZINC000539218930 1038735898 /nfs/dbraw/zinc/73/58/98/1038735898.db2.gz WFILPXXLXFIZNH-YRNRMSPPSA-N 1 3 334.479 3.756 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363919828 1038941019 /nfs/dbraw/zinc/94/10/19/1038941019.db2.gz HKJJJIOWMWCQGH-SQNIBIBYSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363919828 1038941030 /nfs/dbraw/zinc/94/10/30/1038941030.db2.gz HKJJJIOWMWCQGH-SQNIBIBYSA-N 1 3 343.515 3.744 20 0 EHADHO Cc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1Cl ZINC000195437754 1038960516 /nfs/dbraw/zinc/96/05/16/1038960516.db2.gz VMQKNWDRVWOKGS-UHFFFAOYSA-N 1 3 332.875 3.879 20 0 EHADHO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552251353 1039131274 /nfs/dbraw/zinc/13/12/74/1039131274.db2.gz SYUVJONSQSXROF-NJDAHSKKSA-N 1 3 344.543 3.675 20 0 EHADHO CN(CCC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000480092175 1039143231 /nfs/dbraw/zinc/14/32/31/1039143231.db2.gz WWXPWRKKAGEMOO-UHFFFAOYSA-N 1 3 329.532 3.900 20 0 EHADHO Cc1csc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522051 1039198476 /nfs/dbraw/zinc/19/84/76/1039198476.db2.gz JSKGYTGOAVZSIM-CEXWTWQISA-N 1 3 341.524 3.842 20 0 EHADHO Cc1csc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522051 1039198486 /nfs/dbraw/zinc/19/84/86/1039198486.db2.gz JSKGYTGOAVZSIM-CEXWTWQISA-N 1 3 341.524 3.842 20 0 EHADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2)cc1F ZINC000480159816 1039246393 /nfs/dbraw/zinc/24/63/93/1039246393.db2.gz DUPIFWBZMBSMFF-PKOBYXMFSA-N 1 3 334.479 3.936 20 0 EHADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000480165967 1039252898 /nfs/dbraw/zinc/25/28/98/1039252898.db2.gz OIMOYJPNOMYASD-QGZVFWFLSA-N 1 3 334.504 3.785 20 0 EHADHO CC(C)N1CCC([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000152962449 1039825591 /nfs/dbraw/zinc/82/55/91/1039825591.db2.gz JDRTXCWGAZTSSJ-NRFANRHFSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000480671163 1039862130 /nfs/dbraw/zinc/86/21/30/1039862130.db2.gz QZVHXBQSDPRACQ-MXASKKJJSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000480671163 1039862157 /nfs/dbraw/zinc/86/21/57/1039862157.db2.gz QZVHXBQSDPRACQ-MXASKKJJSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000480671163 1039862186 /nfs/dbraw/zinc/86/21/86/1039862186.db2.gz QZVHXBQSDPRACQ-MXASKKJJSA-N 1 3 326.406 3.685 20 0 EHADHO CC[N@H+](Cc1ccnn1-c1ccncc1)[C@@H](C)c1cccc(OC)c1 ZINC000667516048 1040383110 /nfs/dbraw/zinc/38/31/10/1040383110.db2.gz SQFZJFRRDBHIFM-INIZCTEOSA-N 1 3 336.439 3.859 20 0 EHADHO CC[N@@H+](Cc1ccnn1-c1ccncc1)[C@@H](C)c1cccc(OC)c1 ZINC000667516048 1040383122 /nfs/dbraw/zinc/38/31/22/1040383122.db2.gz SQFZJFRRDBHIFM-INIZCTEOSA-N 1 3 336.439 3.859 20 0 EHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000481309809 1040658720 /nfs/dbraw/zinc/65/87/20/1040658720.db2.gz DFRVKGRODZLDNH-IBGZPJMESA-N 1 3 331.548 3.609 20 0 EHADHO CCC(CC)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555612318 1040912669 /nfs/dbraw/zinc/91/26/69/1040912669.db2.gz LDNFQOHNDIKWRV-NRFANRHFSA-N 1 3 344.543 3.941 20 0 EHADHO CCOc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)cc1F ZINC000487312739 1040918765 /nfs/dbraw/zinc/91/87/65/1040918765.db2.gz SKTDXFPXVZJVRU-UHFFFAOYSA-N 1 3 330.447 3.966 20 0 EHADHO CCOc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)cc1F ZINC000487312739 1040918784 /nfs/dbraw/zinc/91/87/84/1040918784.db2.gz SKTDXFPXVZJVRU-UHFFFAOYSA-N 1 3 330.447 3.966 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(Br)cc1 ZINC000020129077 1041165368 /nfs/dbraw/zinc/16/53/68/1041165368.db2.gz RIKPOEQRQLHSFM-MRXNPFEDSA-N 1 3 325.294 3.976 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433303157 1041245513 /nfs/dbraw/zinc/24/55/13/1041245513.db2.gz ZVHPDCWXQWYNID-IBGZPJMESA-N 1 3 349.950 3.545 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433303157 1041245523 /nfs/dbraw/zinc/24/55/23/1041245523.db2.gz ZVHPDCWXQWYNID-IBGZPJMESA-N 1 3 349.950 3.545 20 0 EHADHO C[C@@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000571294257 1041258666 /nfs/dbraw/zinc/25/86/66/1041258666.db2.gz ICAFVNHJDSYTJO-IPMKNSEASA-N 1 3 330.516 3.611 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CN[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667928788 1041282242 /nfs/dbraw/zinc/28/22/42/1041282242.db2.gz JCTFBINUTHFLNY-SFTDATJTSA-N 1 3 328.500 3.576 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549544162 1042069709 /nfs/dbraw/zinc/06/97/09/1042069709.db2.gz OKHPCZVFYJIFFQ-SACAXFFCSA-N 1 3 330.516 3.658 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348573 1042409239 /nfs/dbraw/zinc/40/92/39/1042409239.db2.gz IRQPASUZQXYISI-LLBUTXAOSA-N 1 3 338.442 3.634 20 0 EHADHO Fc1ccc(-c2cnc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662291882 1042662518 /nfs/dbraw/zinc/66/25/18/1042662518.db2.gz AJAPCIGAJZOPHE-KRWDZBQOSA-N 1 3 343.446 3.692 20 0 EHADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc2c1CNC2 ZINC000662400394 1042699829 /nfs/dbraw/zinc/69/98/29/1042699829.db2.gz VFFOKHYSUQKZBK-UHFFFAOYSA-N 1 3 349.478 3.571 20 0 EHADHO COc1cccc(OC)c1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000512087028 1043172528 /nfs/dbraw/zinc/17/25/28/1043172528.db2.gz HLHKFNPRODHJKB-CALCHBBNSA-N 1 3 334.504 3.552 20 0 EHADHO COc1cccc(OC)c1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000512087028 1043172536 /nfs/dbraw/zinc/17/25/36/1043172536.db2.gz HLHKFNPRODHJKB-CALCHBBNSA-N 1 3 334.504 3.552 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426779 1043177159 /nfs/dbraw/zinc/17/71/59/1043177159.db2.gz UYSKTUPOKXDHMM-LSDHHAIUSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426779 1043177163 /nfs/dbraw/zinc/17/71/63/1043177163.db2.gz UYSKTUPOKXDHMM-LSDHHAIUSA-N 1 3 344.421 3.857 20 0 EHADHO COc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000512272128 1044492092 /nfs/dbraw/zinc/49/20/92/1044492092.db2.gz XHOVJRDJHVUNJO-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO COc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000512272128 1044492095 /nfs/dbraw/zinc/49/20/95/1044492095.db2.gz XHOVJRDJHVUNJO-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)cc1CN1CCCCC1 ZINC000183343701 1125535981 /nfs/dbraw/zinc/53/59/81/1125535981.db2.gz MKFVCIDCZXHYTM-YLJYHZDGSA-N 1 3 346.515 3.901 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)c1ccccc1Cl ZINC000153603748 1125636088 /nfs/dbraw/zinc/63/60/88/1125636088.db2.gz OUVDHPLBHVVYSW-KFKAGJAMSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000153603748 1125636090 /nfs/dbraw/zinc/63/60/90/1125636090.db2.gz OUVDHPLBHVVYSW-KFKAGJAMSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000153603748 1125636091 /nfs/dbraw/zinc/63/60/91/1125636091.db2.gz OUVDHPLBHVVYSW-KFKAGJAMSA-N 1 3 337.939 3.653 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000171130878 1126752509 /nfs/dbraw/zinc/75/25/09/1126752509.db2.gz NPOHQUMTMQATEK-OAHLLOKOSA-N 1 3 328.456 3.616 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732762 1126877899 /nfs/dbraw/zinc/87/78/99/1126877899.db2.gz OZWBNRMTVYGIFB-ZBFHGGJFSA-N 1 3 344.421 3.790 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732762 1126877903 /nfs/dbraw/zinc/87/79/03/1126877903.db2.gz OZWBNRMTVYGIFB-ZBFHGGJFSA-N 1 3 344.421 3.790 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc4c[nH]nc4c3)CC2)C1 ZINC000671301755 1126888562 /nfs/dbraw/zinc/88/85/62/1126888562.db2.gz SXVZUNMBNJEYFO-UZLBHIALSA-N 1 3 340.515 3.738 20 0 EHADHO CC1CCN([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337540 1126918823 /nfs/dbraw/zinc/91/88/23/1126918823.db2.gz OIBOSPMYCSUSAM-ZWKOTPCHSA-N 1 3 349.588 3.984 20 0 EHADHO CC1CCN([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337540 1126918827 /nfs/dbraw/zinc/91/88/27/1126918827.db2.gz OIBOSPMYCSUSAM-ZWKOTPCHSA-N 1 3 349.588 3.984 20 0 EHADHO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000623470168 1126962452 /nfs/dbraw/zinc/96/24/52/1126962452.db2.gz BPKVPASTRMNZSM-ICSRJNTNSA-N 1 3 340.515 3.704 20 0 EHADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)OC(C)C ZINC000623495321 1126967860 /nfs/dbraw/zinc/96/78/60/1126967860.db2.gz ZDWHERZRCDTGLI-APWZRJJASA-N 1 3 334.504 3.624 20 0 EHADHO C[C@@H](c1ccc2ccccc2c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177379773 1126981687 /nfs/dbraw/zinc/98/16/87/1126981687.db2.gz FBKXDGZJRSHWNC-SFHVURJKSA-N 1 3 339.527 3.859 20 0 EHADHO C[C@@H](c1ccc2ccccc2c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177379773 1126981690 /nfs/dbraw/zinc/98/16/90/1126981690.db2.gz FBKXDGZJRSHWNC-SFHVURJKSA-N 1 3 339.527 3.859 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121378 1127256825 /nfs/dbraw/zinc/25/68/25/1127256825.db2.gz UXGZBUFBLBRTHV-IRXDYDNUSA-N 1 3 346.519 3.599 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Br)cs1 ZINC000624123165 1127257017 /nfs/dbraw/zinc/25/70/17/1127257017.db2.gz GZTIEKPIRNDGES-RYUDHWBXSA-N 1 3 331.323 3.893 20 0 EHADHO COc1ccccc1C1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCC1 ZINC000183959925 1127391089 /nfs/dbraw/zinc/39/10/89/1127391089.db2.gz ZOMGFUFYFUMCCG-UHFFFAOYSA-N 1 3 330.516 3.969 20 0 EHADHO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000185673775 1127429391 /nfs/dbraw/zinc/42/93/91/1127429391.db2.gz UYKGCXPGBRRMTR-SJORKVTESA-N 1 3 338.536 3.741 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321392 1127537298 /nfs/dbraw/zinc/53/72/98/1127537298.db2.gz BCMWAPAPKVUABM-MJGOQNOKSA-N 1 3 327.447 3.784 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCc3cc(C)ccc32)[C@@H](C)C1 ZINC000765428691 1127611981 /nfs/dbraw/zinc/61/19/81/1127611981.db2.gz UJVLCKWTASMVAR-YYWHXJBOSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3cc(C)ccc32)[C@@H](C)C1 ZINC000765428691 1127611985 /nfs/dbraw/zinc/61/19/85/1127611985.db2.gz UJVLCKWTASMVAR-YYWHXJBOSA-N 1 3 330.516 3.709 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000765498123 1127622024 /nfs/dbraw/zinc/62/20/24/1127622024.db2.gz AEHQTSJYZJJVDU-MRXNPFEDSA-N 1 3 325.456 3.698 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921619244 1127833862 /nfs/dbraw/zinc/83/38/62/1127833862.db2.gz NSJUJPCXFWQHGW-SFHLNBCPSA-N 1 3 334.548 3.826 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347565911 1128096438 /nfs/dbraw/zinc/09/64/38/1128096438.db2.gz WNPZNUKKVIYZKC-MRXNPFEDSA-N 1 3 349.478 3.917 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347565911 1128096444 /nfs/dbraw/zinc/09/64/44/1128096444.db2.gz WNPZNUKKVIYZKC-MRXNPFEDSA-N 1 3 349.478 3.917 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc([S@](C)=O)cc1 ZINC000085298904 1128421041 /nfs/dbraw/zinc/42/10/41/1128421041.db2.gz RZBUMEURZNNJKV-XMMPIXPASA-N 1 3 344.524 3.556 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000191570626 1120679171 /nfs/dbraw/zinc/67/91/71/1120679171.db2.gz QFWCIYFHYCIDCQ-NRFANRHFSA-N 1 3 347.522 3.673 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000192785129 1120748906 /nfs/dbraw/zinc/74/89/06/1120748906.db2.gz LLPVDSITGDKBKZ-IBGZPJMESA-N 1 3 339.527 3.907 20 0 EHADHO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000494736369 1120753002 /nfs/dbraw/zinc/75/30/02/1120753002.db2.gz CMIFCOXGOIQYED-UHOSZYNNSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@H]1CCc2ccccc2OC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000494736369 1120753006 /nfs/dbraw/zinc/75/30/06/1120753006.db2.gz CMIFCOXGOIQYED-UHOSZYNNSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@H]1CCc2ccccc2OC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736369 1120753009 /nfs/dbraw/zinc/75/30/09/1120753009.db2.gz CMIFCOXGOIQYED-UHOSZYNNSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000227497570 1120887766 /nfs/dbraw/zinc/88/77/66/1120887766.db2.gz CZBMSILXFGYKPX-LBPRGKRZSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1Br ZINC000227496990 1120887915 /nfs/dbraw/zinc/88/79/15/1120887915.db2.gz AEGLLZKGGQPSKX-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1CN1CCCCC1 ZINC000762650823 1121398811 /nfs/dbraw/zinc/39/88/11/1121398811.db2.gz SFYMGNJTGCSZPJ-ZWOKBUDYSA-N 1 3 346.515 3.757 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000130837343 1123009213 /nfs/dbraw/zinc/00/92/13/1123009213.db2.gz ZBLSKEDRGAHACW-RMVXJAJNSA-N 1 3 330.516 3.802 20 0 EHADHO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556870127 1123160611 /nfs/dbraw/zinc/16/06/11/1123160611.db2.gz DAPNDGQFYSILFQ-FVTFTPSCSA-N 1 3 344.543 3.675 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(OC)CCC2)ccc1OC ZINC000180196781 1123959839 /nfs/dbraw/zinc/95/98/39/1123959839.db2.gz NFOHQACBDOLDFU-INIZCTEOSA-N 1 3 334.504 3.757 20 0 EHADHO C[C@H](CCc1cccc(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247098897 1124586666 /nfs/dbraw/zinc/58/66/66/1124586666.db2.gz SFBSUULTTTZEGR-KURKYZTESA-N 1 3 336.495 3.626 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000091288702 1124974435 /nfs/dbraw/zinc/97/44/35/1124974435.db2.gz WGNCBAGPDBRWGG-QHCPKHFHSA-N 1 3 349.522 3.675 20 0 EHADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccnc2)ccc1OC ZINC000182186138 1125195717 /nfs/dbraw/zinc/19/57/17/1125195717.db2.gz YUPTWBLLQUMHPH-MRXNPFEDSA-N 1 3 327.472 3.783 20 0 EHADHO Cc1c(Br)cccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922684377 1129625374 /nfs/dbraw/zinc/62/53/74/1129625374.db2.gz IODQSNWWLHTNEJ-HOTGVXAUSA-N 1 3 337.305 3.516 20 0 EHADHO Cc1c(Br)cccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922684377 1129625376 /nfs/dbraw/zinc/62/53/76/1129625376.db2.gz IODQSNWWLHTNEJ-HOTGVXAUSA-N 1 3 337.305 3.516 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745801 1130469304 /nfs/dbraw/zinc/46/93/04/1130469304.db2.gz GOVIUBNWKNFBQY-FUHIMQAGSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745801 1130469307 /nfs/dbraw/zinc/46/93/07/1130469307.db2.gz GOVIUBNWKNFBQY-FUHIMQAGSA-N 1 3 339.483 3.794 20 0 EHADHO CC1(C)CC([NH+]2CCC(N)(Cc3ccccc3)CC2)CC(C)(C)O1 ZINC001172654239 1131801476 /nfs/dbraw/zinc/80/14/76/1131801476.db2.gz ZUQRGLNQHNSRTM-UHFFFAOYSA-N 1 3 330.516 3.759 20 0 EHADHO CC[NH+](CC)C1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001173101645 1131967293 /nfs/dbraw/zinc/96/72/93/1131967293.db2.gz MPPFRKLPMRIYBJ-UHFFFAOYSA-N 1 3 326.488 3.834 20 0 EHADHO c1nc2c(s1)C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC001173128122 1131976504 /nfs/dbraw/zinc/97/65/04/1131976504.db2.gz HBCZNBHWOIBKEO-QGZVFWFLSA-N 1 3 333.545 3.635 20 0 EHADHO c1nc2c(s1)C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CC2 ZINC001173128122 1131976509 /nfs/dbraw/zinc/97/65/09/1131976509.db2.gz HBCZNBHWOIBKEO-QGZVFWFLSA-N 1 3 333.545 3.635 20 0 EHADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702319 1132129481 /nfs/dbraw/zinc/12/94/81/1132129481.db2.gz KYFDHTWSBYHLGD-UWJYYQICSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702319 1132129483 /nfs/dbraw/zinc/12/94/83/1132129483.db2.gz KYFDHTWSBYHLGD-UWJYYQICSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@@H](C[NH3+])CN(C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702319 1132129488 /nfs/dbraw/zinc/12/94/88/1132129488.db2.gz KYFDHTWSBYHLGD-UWJYYQICSA-N 1 3 338.495 3.650 20 0 EHADHO CC[NH+](CC)CCCN1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001174749995 1132465660 /nfs/dbraw/zinc/46/56/60/1132465660.db2.gz XJAGSMFEPHOMSR-OAQYLSRUSA-N 1 3 331.548 3.561 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094416 1132653664 /nfs/dbraw/zinc/65/36/64/1132653664.db2.gz LKDQPZOIHQNSMG-AXVVYFOYSA-N 1 3 347.934 3.692 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094416 1132653668 /nfs/dbraw/zinc/65/36/68/1132653668.db2.gz LKDQPZOIHQNSMG-AXVVYFOYSA-N 1 3 347.934 3.692 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCCN(C2CCC2)C1 ZINC001169124124 1132665578 /nfs/dbraw/zinc/66/55/78/1132665578.db2.gz MLVIPKUVNJKCGM-NLWGTHIKSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169124124 1132665581 /nfs/dbraw/zinc/66/55/81/1132665581.db2.gz MLVIPKUVNJKCGM-NLWGTHIKSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124124 1132665583 /nfs/dbraw/zinc/66/55/83/1132665583.db2.gz MLVIPKUVNJKCGM-NLWGTHIKSA-N 1 3 334.548 3.968 20 0 EHADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169106865 1132669809 /nfs/dbraw/zinc/66/98/09/1132669809.db2.gz APJJEZVKGIXKAJ-LTIDMASMSA-N 1 3 326.488 3.880 20 0 EHADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169106865 1132669813 /nfs/dbraw/zinc/66/98/13/1132669813.db2.gz APJJEZVKGIXKAJ-LTIDMASMSA-N 1 3 326.488 3.880 20 0 EHADHO CCc1cc(OC)ccc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001177245072 1133045137 /nfs/dbraw/zinc/04/51/37/1133045137.db2.gz LPTUKXIRTPXMCF-UHFFFAOYSA-N 1 3 338.495 3.796 20 0 EHADHO CCc1cc(OC)ccc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC001177245072 1133045143 /nfs/dbraw/zinc/04/51/43/1133045143.db2.gz LPTUKXIRTPXMCF-UHFFFAOYSA-N 1 3 338.495 3.796 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2ccco2)CC1 ZINC001179248422 1133238689 /nfs/dbraw/zinc/23/86/89/1133238689.db2.gz RDINTDPZDGGOEN-UHFFFAOYSA-N 1 3 341.499 3.534 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897849 1133293943 /nfs/dbraw/zinc/29/39/43/1133293943.db2.gz ABAJMTDSEOMSFX-WMZOPIPTSA-N 1 3 348.531 3.786 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897849 1133293946 /nfs/dbraw/zinc/29/39/46/1133293946.db2.gz ABAJMTDSEOMSFX-WMZOPIPTSA-N 1 3 348.531 3.786 20 0 EHADHO CC(C)[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC001181826157 1133536750 /nfs/dbraw/zinc/53/67/50/1133536750.db2.gz ALCNHRFKZXRUCO-GOSISDBHSA-N 1 3 338.923 3.862 20 0 EHADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cc[nH]c(=O)c1 ZINC000788502970 1134133114 /nfs/dbraw/zinc/13/31/14/1134133114.db2.gz BGJINOXIMGHXCB-MRXNPFEDSA-N 1 3 325.456 3.624 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cc1CN1CCCCC1 ZINC000775391560 1134708838 /nfs/dbraw/zinc/70/88/38/1134708838.db2.gz DDIMCQYYZLFBAO-LNLFQRSKSA-N 1 3 346.515 3.757 20 0 EHADHO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775412675 1134751372 /nfs/dbraw/zinc/75/13/72/1134751372.db2.gz WDGMSUMEAQQTFE-XLIONFOSSA-N 1 3 348.531 3.883 20 0 EHADHO C[C@@H](O)CC[N@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078254 1134789778 /nfs/dbraw/zinc/78/97/78/1134789778.db2.gz RFAUMBOCCXFWQI-KNQAVFIVSA-N 1 3 340.511 3.605 20 0 EHADHO C[C@@H](O)CC[N@@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078254 1134789782 /nfs/dbraw/zinc/78/97/82/1134789782.db2.gz RFAUMBOCCXFWQI-KNQAVFIVSA-N 1 3 340.511 3.605 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626674 1135351461 /nfs/dbraw/zinc/35/14/61/1135351461.db2.gz DFZKDXAMSBZXIQ-IWMITWMQSA-N 1 3 341.499 3.586 20 0 EHADHO COc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170525620 1135549871 /nfs/dbraw/zinc/54/98/71/1135549871.db2.gz KZHCSMXUEHCTCN-UHFFFAOYSA-N 1 3 349.478 3.605 20 0 EHADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027666 1135767826 /nfs/dbraw/zinc/76/78/26/1135767826.db2.gz RWMHHUFSWQSFEQ-QZTJIDSGSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027666 1135767828 /nfs/dbraw/zinc/76/78/28/1135767828.db2.gz RWMHHUFSWQSFEQ-QZTJIDSGSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027668 1135767935 /nfs/dbraw/zinc/76/79/35/1135767935.db2.gz RWMHHUFSWQSFEQ-ZWKOTPCHSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027668 1135767939 /nfs/dbraw/zinc/76/79/39/1135767939.db2.gz RWMHHUFSWQSFEQ-ZWKOTPCHSA-N 1 3 338.923 3.609 20 0 EHADHO Cc1ccccc1C[NH+]1CCC(NCc2cccc3c[nH]nc32)CC1 ZINC001199376354 1135901692 /nfs/dbraw/zinc/90/16/92/1135901692.db2.gz DTOVMRMDYWMBSM-UHFFFAOYSA-N 1 3 334.467 3.626 20 0 EHADHO CCCCN1CCC([NH2+]Cc2cc(C)c(C3OCCO3)cc2C)CC1 ZINC001199784446 1135929405 /nfs/dbraw/zinc/92/94/05/1135929405.db2.gz RTYQHFUDDITMHF-UHFFFAOYSA-N 1 3 346.515 3.703 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H](O)c1cccc(F)c1 ZINC001199851112 1135932011 /nfs/dbraw/zinc/93/20/11/1135932011.db2.gz MXUQRNOTRLQJLN-FQEVSTJZSA-N 1 3 344.474 3.607 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H](O)c1cccc(F)c1 ZINC001199851112 1135932014 /nfs/dbraw/zinc/93/20/14/1135932014.db2.gz MXUQRNOTRLQJLN-FQEVSTJZSA-N 1 3 344.474 3.607 20 0 EHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001202348408 1136127450 /nfs/dbraw/zinc/12/74/50/1136127450.db2.gz NSRLWCNTMOTXLQ-DJIMGWMZSA-N 1 3 341.421 3.566 20 0 EHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001202348408 1136127451 /nfs/dbraw/zinc/12/74/51/1136127451.db2.gz NSRLWCNTMOTXLQ-DJIMGWMZSA-N 1 3 341.421 3.566 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@H](N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001170676768 1136201225 /nfs/dbraw/zinc/20/12/25/1136201225.db2.gz HVZJSMKJMUEAJP-ROUUACIJSA-N 1 3 334.454 3.676 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@H](N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001170676768 1136201228 /nfs/dbraw/zinc/20/12/28/1136201228.db2.gz HVZJSMKJMUEAJP-ROUUACIJSA-N 1 3 334.454 3.676 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414072 1136253978 /nfs/dbraw/zinc/25/39/78/1136253978.db2.gz UKCZAXGVRGJVMY-YRXWBPOGSA-N 1 3 336.907 3.614 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414072 1136253984 /nfs/dbraw/zinc/25/39/84/1136253984.db2.gz UKCZAXGVRGJVMY-YRXWBPOGSA-N 1 3 336.907 3.614 20 0 EHADHO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850528692 1136279503 /nfs/dbraw/zinc/27/95/03/1136279503.db2.gz MNFCKVIDGDFTIA-BYZLFZLASA-N 1 3 336.479 3.665 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000856559454 1136795169 /nfs/dbraw/zinc/79/51/69/1136795169.db2.gz ONOSEKHZLTUYFX-FQEVSTJZSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000856559454 1136795170 /nfs/dbraw/zinc/79/51/70/1136795170.db2.gz ONOSEKHZLTUYFX-FQEVSTJZSA-N 1 3 331.504 3.565 20 0 EHADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559521 1136795199 /nfs/dbraw/zinc/79/51/99/1136795199.db2.gz PLRCESRQHNXABE-XLIONFOSSA-N 1 3 333.520 3.811 20 0 EHADHO CCC[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559521 1136795201 /nfs/dbraw/zinc/79/52/01/1136795201.db2.gz PLRCESRQHNXABE-XLIONFOSSA-N 1 3 333.520 3.811 20 0 EHADHO Cc1cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000817896640 1136844279 /nfs/dbraw/zinc/84/42/79/1136844279.db2.gz MSPUTBUXHHWNQM-PKOBYXMFSA-N 1 3 328.481 3.710 20 0 EHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)c1ccccc1Cl ZINC000818942525 1136893489 /nfs/dbraw/zinc/89/34/89/1136893489.db2.gz FYGARZNLOOALKB-FQEVSTJZSA-N 1 3 344.886 3.759 20 0 EHADHO C[NH+](C)CC[C@@H](N[C@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170949461 1136996157 /nfs/dbraw/zinc/99/61/57/1136996157.db2.gz NIBAYCAJQIVJHW-GHTZIAJQSA-N 1 3 326.459 3.966 20 0 EHADHO C[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000820806956 1137005242 /nfs/dbraw/zinc/00/52/42/1137005242.db2.gz WEAPWEHNPBACBO-KRWDZBQOSA-N 1 3 338.499 3.594 20 0 EHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000823671907 1137109229 /nfs/dbraw/zinc/10/92/29/1137109229.db2.gz XIJYCJWEIXEHBW-INIZCTEOSA-N 1 3 343.902 3.920 20 0 EHADHO Clc1cc(Cl)c(Cl)c(CN[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246345965 1137149746 /nfs/dbraw/zinc/14/97/46/1137149746.db2.gz LJSGZINVBWSLIF-JTQLQIEISA-N 1 3 337.703 3.584 20 0 EHADHO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246347969 1137152421 /nfs/dbraw/zinc/15/24/21/1137152421.db2.gz KNHBZWIMDGJUSG-SWLSCSKDSA-N 1 3 325.294 3.500 20 0 EHADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078295 1137170212 /nfs/dbraw/zinc/17/02/12/1137170212.db2.gz JARSTARBWMIVFX-YCPHGPKFSA-N 1 3 339.310 3.734 20 0 EHADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078295 1137170213 /nfs/dbraw/zinc/17/02/13/1137170213.db2.gz JARSTARBWMIVFX-YCPHGPKFSA-N 1 3 339.310 3.734 20 0 EHADHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001171087408 1137176708 /nfs/dbraw/zinc/17/67/08/1137176708.db2.gz QIMVFHPMJDBMIY-QIIPPGSGSA-N 1 3 339.310 3.734 20 0 EHADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144183 1137242910 /nfs/dbraw/zinc/24/29/10/1137242910.db2.gz NVJVSYCXSIOQHK-CABCVRRESA-N 1 3 327.299 3.925 20 0 EHADHO CC(C)[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000866239628 1137338096 /nfs/dbraw/zinc/33/80/96/1137338096.db2.gz YQONDNKSDVDEJL-FQEVSTJZSA-N 1 3 327.472 3.509 20 0 EHADHO CCSC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716628174 1137487845 /nfs/dbraw/zinc/48/78/45/1137487845.db2.gz VHOPEPWNZSQHMK-OTWHNJEPSA-N 1 3 330.541 3.915 20 0 EHADHO Cc1cccnc1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716719011 1137488519 /nfs/dbraw/zinc/48/85/19/1137488519.db2.gz PVHJNZMWZRKPOU-FKBYEOEOSA-N 1 3 349.522 3.965 20 0 EHADHO CC(=O)N1CCCC[C@@]12CCC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171637916 1137504665 /nfs/dbraw/zinc/50/46/65/1137504665.db2.gz SJOGHTRNDISPGM-NRFANRHFSA-N 1 3 349.563 3.505 20 0 EHADHO CC(=O)N1CCCC[C@@]12CCC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171637916 1137504666 /nfs/dbraw/zinc/50/46/66/1137504666.db2.gz SJOGHTRNDISPGM-NRFANRHFSA-N 1 3 349.563 3.505 20 0 EHADHO Cc1cccc(O[C@@H]2CCCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)n1 ZINC001171640652 1137504783 /nfs/dbraw/zinc/50/47/83/1137504783.db2.gz IQGVXOJVRDKPPX-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccc(O[C@@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640652 1137504785 /nfs/dbraw/zinc/50/47/85/1137504785.db2.gz IQGVXOJVRDKPPX-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccc(O[C@@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640652 1137504786 /nfs/dbraw/zinc/50/47/86/1137504786.db2.gz IQGVXOJVRDKPPX-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Fc1cccc2c1C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001171790388 1137512465 /nfs/dbraw/zinc/51/24/65/1137512465.db2.gz KBTAQFKETGZSKJ-QFBILLFUSA-N 1 3 328.475 3.703 20 0 EHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001171790388 1137512467 /nfs/dbraw/zinc/51/24/67/1137512467.db2.gz KBTAQFKETGZSKJ-QFBILLFUSA-N 1 3 328.475 3.703 20 0 EHADHO CN(CCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986271 1137527545 /nfs/dbraw/zinc/52/75/45/1137527545.db2.gz GMUQFDIDVKKLCA-OAQYLSRUSA-N 1 3 337.511 3.999 20 0 EHADHO CN(CCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986271 1137527546 /nfs/dbraw/zinc/52/75/46/1137527546.db2.gz GMUQFDIDVKKLCA-OAQYLSRUSA-N 1 3 337.511 3.999 20 0 EHADHO c1ncc(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001172072085 1137529768 /nfs/dbraw/zinc/52/97/68/1137529768.db2.gz KKHLALFARUJQQV-LDLYASANSA-N 1 3 341.524 3.861 20 0 EHADHO c1ncc(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172072085 1137529770 /nfs/dbraw/zinc/52/97/70/1137529770.db2.gz KKHLALFARUJQQV-LDLYASANSA-N 1 3 341.524 3.861 20 0 EHADHO NCc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172077689 1137530891 /nfs/dbraw/zinc/53/08/91/1137530891.db2.gz VKNOXXMJPRYBSW-MZADTFQBSA-N 1 3 336.483 3.538 20 0 EHADHO NCc1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172077689 1137530893 /nfs/dbraw/zinc/53/08/93/1137530893.db2.gz VKNOXXMJPRYBSW-MZADTFQBSA-N 1 3 336.483 3.538 20 0 EHADHO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172079705 1137531213 /nfs/dbraw/zinc/53/12/13/1137531213.db2.gz POSXJMVDDGCTRD-MIUGBVLSSA-N 1 3 341.543 3.502 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC001172101660 1137531873 /nfs/dbraw/zinc/53/18/73/1137531873.db2.gz HFHOXIYRDVUTER-OSYLJGHBSA-N 1 3 327.497 3.915 20 0 EHADHO CN([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090690 1137531998 /nfs/dbraw/zinc/53/19/98/1137531998.db2.gz WBKDTTBLHFNVFM-WOZUAGRISA-N 1 3 328.500 3.683 20 0 EHADHO CN([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090690 1137531999 /nfs/dbraw/zinc/53/19/99/1137531999.db2.gz WBKDTTBLHFNVFM-WOZUAGRISA-N 1 3 328.500 3.683 20 0 EHADHO CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172067822 1137534533 /nfs/dbraw/zinc/53/45/33/1137534533.db2.gz ODPJNDDUHMUTDV-KJJMTIBFSA-N 1 3 341.543 3.646 20 0 EHADHO [NH3+]C[C@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC000872148965 1137573969 /nfs/dbraw/zinc/57/39/69/1137573969.db2.gz JMSSSRDYFGCGLO-SIXLDLHFSA-N 1 3 326.406 3.639 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876988627 1137667057 /nfs/dbraw/zinc/66/70/57/1137667057.db2.gz HPTIFWKWUMKOTI-KRWDZBQOSA-N 1 3 347.503 3.855 20 0 EHADHO CCOP(=O)(CCC[NH2+]C1CCN(C2CCCC2)CC1)OCC ZINC000877085788 1137669835 /nfs/dbraw/zinc/66/98/35/1137669835.db2.gz WMERNWVZPNQXID-UHFFFAOYSA-N 1 3 346.452 3.639 20 0 EHADHO Fc1cc(CNCCC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000877697974 1137686117 /nfs/dbraw/zinc/68/61/17/1137686117.db2.gz STYABILFPYMMST-UHFFFAOYSA-N 1 3 345.437 3.752 20 0 EHADHO CC(C)CN(Cc1ccnc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC000877767385 1137689033 /nfs/dbraw/zinc/68/90/33/1137689033.db2.gz GSYVVHOBKQFMSO-UHFFFAOYSA-N 1 3 327.875 3.674 20 0 EHADHO CC(C)CN(Cc1nc(-c2cccs2)no1)CC1CC[NH+](C)CC1 ZINC000879701786 1137755753 /nfs/dbraw/zinc/75/57/53/1137755753.db2.gz ALYMHWAXLSKMOB-UHFFFAOYSA-N 1 3 348.516 3.598 20 0 EHADHO C[C@H]([NH2+]Cc1cccc(Cl)c1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000883083844 1137844026 /nfs/dbraw/zinc/84/40/26/1137844026.db2.gz AGACWIBUYCZLPE-YJBOKZPZSA-N 1 3 343.902 3.922 20 0 EHADHO CC1(C)C[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331713876 1137918022 /nfs/dbraw/zinc/91/80/22/1137918022.db2.gz MJBGEOGELDMDEM-QAPCUYQASA-N 1 3 329.488 3.636 20 0 EHADHO CC1(C)C[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331713876 1137918023 /nfs/dbraw/zinc/91/80/23/1137918023.db2.gz MJBGEOGELDMDEM-QAPCUYQASA-N 1 3 329.488 3.636 20 0 EHADHO COCc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)ccc1OC ZINC000123682106 1138273226 /nfs/dbraw/zinc/27/32/26/1138273226.db2.gz BMTXOWHSFXEKRG-MRXNPFEDSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1N(C)C ZINC000123692992 1138273416 /nfs/dbraw/zinc/27/34/16/1138273416.db2.gz YLMHZPBEVCDMQG-HNNXBMFYSA-N 1 3 329.463 3.804 20 0 EHADHO Cc1nc2ccc(Nc3ccc(F)cc3OCC[NH+](C)C)cc2[nH]1 ZINC001213076143 1138482313 /nfs/dbraw/zinc/48/23/13/1138482313.db2.gz HRGUBLNEMXTKLP-UHFFFAOYSA-N 1 3 328.391 3.694 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000174517143 1139426246 /nfs/dbraw/zinc/42/62/46/1139426246.db2.gz XLHIZRXYDICOBT-SJLPKXTDSA-N 1 3 334.467 3.598 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517143 1139426250 /nfs/dbraw/zinc/42/62/50/1139426250.db2.gz XLHIZRXYDICOBT-SJLPKXTDSA-N 1 3 334.467 3.598 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)nc1 ZINC000179107403 1139735186 /nfs/dbraw/zinc/73/51/86/1139735186.db2.gz IWCXOIMXPNWGSE-CQSZACIVSA-N 1 3 333.863 3.526 20 0 EHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(Cl)nc1 ZINC000179120036 1139736024 /nfs/dbraw/zinc/73/60/24/1139736024.db2.gz LAQIRFJWNKKBEY-HNNXBMFYSA-N 1 3 347.890 3.916 20 0 EHADHO CN1CCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413417 1141220445 /nfs/dbraw/zinc/22/04/45/1141220445.db2.gz DVOOMCNKFFKERY-OALUTQOASA-N 1 3 336.907 3.570 20 0 EHADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271457322 1141371705 /nfs/dbraw/zinc/37/17/05/1141371705.db2.gz FMZPUEZMNLGZFI-HBMCJLEFSA-N 1 3 330.516 3.668 20 0 EHADHO C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153841148 1014161601 /nfs/dbraw/zinc/16/16/01/1014161601.db2.gz ZOQBYCUBSGGCOU-SJORKVTESA-N 1 3 326.488 3.734 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000643545883 1014469830 /nfs/dbraw/zinc/46/98/30/1014469830.db2.gz DWFNVHYGICYRHW-SJORKVTESA-N 1 3 349.316 3.571 20 0 EHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc2c[nH]nc2c1 ZINC000153561271 1014557779 /nfs/dbraw/zinc/55/77/79/1014557779.db2.gz QKPGYAMUIMUKDP-IAGOWNOFSA-N 1 3 348.494 3.809 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1nccs1 ZINC000274763973 1015019775 /nfs/dbraw/zinc/01/97/75/1015019775.db2.gz KSGPBNTVLIXFNK-RYRKJORJSA-N 1 3 329.513 3.747 20 0 EHADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618103 1015102217 /nfs/dbraw/zinc/10/22/17/1015102217.db2.gz RTPGCRIWPUDMFM-SIIHOXLZSA-N 1 3 339.310 3.909 20 0 EHADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618103 1015102224 /nfs/dbraw/zinc/10/22/24/1015102224.db2.gz RTPGCRIWPUDMFM-SIIHOXLZSA-N 1 3 339.310 3.909 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274862584 1015516177 /nfs/dbraw/zinc/51/61/77/1015516177.db2.gz DCFJNZVUUNVZMQ-FGSXEWAUSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862584 1015516187 /nfs/dbraw/zinc/51/61/87/1015516187.db2.gz DCFJNZVUUNVZMQ-FGSXEWAUSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274862584 1015516190 /nfs/dbraw/zinc/51/61/90/1015516190.db2.gz DCFJNZVUUNVZMQ-FGSXEWAUSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2COC3(CCC3)C2)C1 ZINC000657838045 1032127125 /nfs/dbraw/zinc/12/71/25/1032127125.db2.gz NBRPRGAKEXLEIU-YLJYHZDGSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2COC3(CCC3)C2)C1 ZINC000657838045 1032127133 /nfs/dbraw/zinc/12/71/33/1032127133.db2.gz NBRPRGAKEXLEIU-YLJYHZDGSA-N 1 3 328.500 3.720 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)ccc1OC ZINC000182975590 1032155066 /nfs/dbraw/zinc/15/50/66/1032155066.db2.gz NFDNXDBBWYYCHA-IVGZAAIESA-N 1 3 332.488 3.508 20 0 EHADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000191570777 1032256446 /nfs/dbraw/zinc/25/64/46/1032256446.db2.gz YEVUHGNTHGWAJF-UHFFFAOYSA-N 1 3 349.950 3.725 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459682906 1032410387 /nfs/dbraw/zinc/41/03/87/1032410387.db2.gz BBLIDEIHGDQBDQ-FCHUYYIVSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459682906 1032410390 /nfs/dbraw/zinc/41/03/90/1032410390.db2.gz BBLIDEIHGDQBDQ-FCHUYYIVSA-N 1 3 343.559 3.671 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(C)(F)F)CC1 ZINC000449352498 1032468305 /nfs/dbraw/zinc/46/83/05/1032468305.db2.gz WJVZTHPTOZSRAA-UHFFFAOYSA-N 1 3 339.474 3.744 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024586 1032489963 /nfs/dbraw/zinc/48/99/63/1032489963.db2.gz QUJVQKOMLFZVEN-PXNSSMCTSA-N 1 3 339.483 3.796 20 0 EHADHO CC(C)C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000090936879 1032580655 /nfs/dbraw/zinc/58/06/55/1032580655.db2.gz XAEFGPYVBNXHGF-FQEVSTJZSA-N 1 3 341.499 3.899 20 0 EHADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449488790 1032644506 /nfs/dbraw/zinc/64/45/06/1032644506.db2.gz LDVBOUUSOMCJBW-QNWVGRARSA-N 1 3 349.522 3.823 20 0 EHADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449488791 1032645037 /nfs/dbraw/zinc/64/50/37/1032645037.db2.gz LDVBOUUSOMCJBW-QZNHQXDQSA-N 1 3 349.522 3.823 20 0 EHADHO [NH3+]CCC[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000415052435 1017462154 /nfs/dbraw/zinc/46/21/54/1017462154.db2.gz LFLYJKDRRVYYDT-NRFANRHFSA-N 1 3 334.467 3.501 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NCCc2cccc(Br)c2)c2ccccc21 ZINC000313735090 1017524904 /nfs/dbraw/zinc/52/49/04/1017524904.db2.gz GPNGUCICJKXTDC-IAGOWNOFSA-N 1 3 331.257 3.726 20 0 EHADHO Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000313764642 1017540524 /nfs/dbraw/zinc/54/05/24/1017540524.db2.gz DRKHFJNSKKBMKN-XYPWUTKMSA-N 1 3 337.305 3.815 20 0 EHADHO Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000313764642 1017540532 /nfs/dbraw/zinc/54/05/32/1017540532.db2.gz DRKHFJNSKKBMKN-XYPWUTKMSA-N 1 3 337.305 3.815 20 0 EHADHO c1cnn(Cc2ccccc2CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415112983 1017568433 /nfs/dbraw/zinc/56/84/33/1017568433.db2.gz SBGFHZOIDVTWAD-YADHBBJMSA-N 1 3 346.478 3.514 20 0 EHADHO CCN(C)C[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137747988 1017904147 /nfs/dbraw/zinc/90/41/47/1017904147.db2.gz BKWQLJLDIFWRED-IBGZPJMESA-N 1 3 345.531 3.604 20 0 EHADHO CCN(C)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137747988 1017904157 /nfs/dbraw/zinc/90/41/57/1017904157.db2.gz BKWQLJLDIFWRED-IBGZPJMESA-N 1 3 345.531 3.604 20 0 EHADHO CCC[N@H+](CC[C@@H]1CCCN1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167331849 1018202486 /nfs/dbraw/zinc/20/24/86/1018202486.db2.gz BIAIOASEZLTZPV-FCHUYYIVSA-N 1 3 343.559 3.847 20 0 EHADHO CCC[N@@H+](CC[C@@H]1CCCN1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167331849 1018202492 /nfs/dbraw/zinc/20/24/92/1018202492.db2.gz BIAIOASEZLTZPV-FCHUYYIVSA-N 1 3 343.559 3.847 20 0 EHADHO c1c2ccccc2oc1[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000580182212 1018749287 /nfs/dbraw/zinc/74/92/87/1018749287.db2.gz WQRRPTKUXXCSKO-IERDGZPVSA-N 1 3 335.451 3.897 20 0 EHADHO COc1ccc2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656783680 1021321119 /nfs/dbraw/zinc/32/11/19/1021321119.db2.gz UCENLIDLPPKGJY-HNNXBMFYSA-N 1 3 345.512 3.517 20 0 EHADHO [NH3+]CC1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000430630986 1021334536 /nfs/dbraw/zinc/33/45/36/1021334536.db2.gz SNBIMIFEAPNPCT-UHFFFAOYSA-N 1 3 332.394 3.928 20 0 EHADHO Fc1cccc(N2CCCC2)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785548 1021337325 /nfs/dbraw/zinc/33/73/25/1021337325.db2.gz LWFKVPRIDSXDFB-GOSISDBHSA-N 1 3 345.506 3.638 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414903967 1021791229 /nfs/dbraw/zinc/79/12/29/1021791229.db2.gz JEVOPMILOIPGNA-OXJNMPFZSA-N 1 3 331.504 3.506 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@H](c2ccccc2)C1 ZINC000441382777 1022184354 /nfs/dbraw/zinc/18/43/54/1022184354.db2.gz LGIBSZAVMXWUFD-CEWLAPEOSA-N 1 3 343.559 3.574 20 0 EHADHO CCc1cccc(OCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441409766 1022220569 /nfs/dbraw/zinc/22/05/69/1022220569.db2.gz JVSNPCYPKQFSIX-WIYYLYMNSA-N 1 3 328.500 3.577 20 0 EHADHO CCc1cccc(OCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441409766 1022220582 /nfs/dbraw/zinc/22/05/82/1022220582.db2.gz JVSNPCYPKQFSIX-WIYYLYMNSA-N 1 3 328.500 3.577 20 0 EHADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000471795857 1022245746 /nfs/dbraw/zinc/24/57/46/1022245746.db2.gz BKNSTDXEUBPBMG-PWRODBHTSA-N 1 3 344.543 3.818 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000473912197 1022270578 /nfs/dbraw/zinc/27/05/78/1022270578.db2.gz NBWRXDPSXJMFBH-GMQQQROESA-N 1 3 342.527 3.754 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000517766743 1022647097 /nfs/dbraw/zinc/64/70/97/1022647097.db2.gz YOKPKXPFQFPFQY-SNPRPXQTSA-N 1 3 343.298 3.835 20 0 EHADHO CCc1noc(C)c1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471863121 1022691990 /nfs/dbraw/zinc/69/19/90/1022691990.db2.gz UUDGOJPRCVXOHA-GHTZIAJQSA-N 1 3 341.499 3.718 20 0 EHADHO CCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639357 1022749917 /nfs/dbraw/zinc/74/99/17/1022749917.db2.gz OWROAHPUOSIGSI-IRXDYDNUSA-N 1 3 344.421 3.593 20 0 EHADHO Clc1ccc2c(c1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167981867 1022785033 /nfs/dbraw/zinc/78/50/33/1022785033.db2.gz NOZDABQLPHWBAE-XUBOLADHSA-N 1 3 330.903 3.802 20 0 EHADHO Clc1ccc2c(c1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167981867 1022785038 /nfs/dbraw/zinc/78/50/38/1022785038.db2.gz NOZDABQLPHWBAE-XUBOLADHSA-N 1 3 330.903 3.802 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414940878 1022910711 /nfs/dbraw/zinc/91/07/11/1022910711.db2.gz KVINJLYUDWAPHO-ISWURRPUSA-N 1 3 326.406 3.929 20 0 EHADHO C[C@@H]([NH3+])C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000430946464 1022931049 /nfs/dbraw/zinc/93/10/49/1022931049.db2.gz WGNNDCRTVCFNAP-GFCCVEGCSA-N 1 3 348.288 3.557 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000506879130 1022968094 /nfs/dbraw/zinc/96/80/94/1022968094.db2.gz BMIPKVYUHSRYHP-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000506879130 1022968105 /nfs/dbraw/zinc/96/81/05/1022968105.db2.gz BMIPKVYUHSRYHP-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000518076917 1022973370 /nfs/dbraw/zinc/97/33/70/1022973370.db2.gz PNZVDACAVPKGHJ-PKOBYXMFSA-N 1 3 344.547 3.833 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(F)c1N ZINC000638740846 1022977413 /nfs/dbraw/zinc/97/74/13/1022977413.db2.gz YLXATCJSZABSPK-HOTGVXAUSA-N 1 3 341.474 3.654 20 0 EHADHO CC(C)COc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000510840703 1023260993 /nfs/dbraw/zinc/26/09/93/1023260993.db2.gz DRZZOSDTJJNDAW-KDURUIRLSA-N 1 3 348.531 3.700 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c(C)c1OC ZINC000514089678 1024124153 /nfs/dbraw/zinc/12/41/53/1024124153.db2.gz QWAGWLFWMXGWGR-SJORKVTESA-N 1 3 348.531 3.797 20 0 EHADHO COCCCN1CCC([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000237207476 1024287267 /nfs/dbraw/zinc/28/72/67/1024287267.db2.gz HTXKGOHHZOZJDC-UHFFFAOYSA-N 1 3 342.483 3.846 20 0 EHADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)o1 ZINC000430120577 1024370120 /nfs/dbraw/zinc/37/01/20/1024370120.db2.gz FNHOHCSIISKMDQ-FQEVSTJZSA-N 1 3 328.431 3.922 20 0 EHADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)o1 ZINC000430120577 1024370137 /nfs/dbraw/zinc/37/01/37/1024370137.db2.gz FNHOHCSIISKMDQ-FQEVSTJZSA-N 1 3 328.431 3.922 20 0 EHADHO C[C@@H]1CC(NCCO[C@H]2CCCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168028524 1024498938 /nfs/dbraw/zinc/49/89/38/1024498938.db2.gz PEGMIWMOWACOBM-OPYAIIAOSA-N 1 3 346.515 3.561 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H](CO)CC2CCCC2)CC1 ZINC000467432012 1024936433 /nfs/dbraw/zinc/93/64/33/1024936433.db2.gz HNZMKWAVDGXASF-YFVAEKQCSA-N 1 3 336.564 3.808 20 0 EHADHO C[C@@H](Cc1cccnc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000897964325 1033261200 /nfs/dbraw/zinc/26/12/00/1033261200.db2.gz CDKJPYFKUBKAAE-MVWVFHAYSA-N 1 3 335.495 3.655 20 0 EHADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012366 1025409114 /nfs/dbraw/zinc/40/91/14/1025409114.db2.gz HLYVQWOKBAQXDE-AEFFLSMTSA-N 1 3 334.467 3.585 20 0 EHADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000530221976 1025493830 /nfs/dbraw/zinc/49/38/30/1025493830.db2.gz QDKPNYLEKNNDAT-GFCCVEGCSA-N 1 3 340.446 3.671 20 0 EHADHO Cc1c(Br)cncc1C[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000657362833 1025495112 /nfs/dbraw/zinc/49/51/12/1025495112.db2.gz AJDMWXKIOBIBCG-HNNXBMFYSA-N 1 3 342.325 3.609 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000521632821 1025533562 /nfs/dbraw/zinc/53/35/62/1025533562.db2.gz WWGIZKSNCVPORF-LSDHHAIUSA-N 1 3 331.485 3.533 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1(C)C ZINC000442873402 1025547670 /nfs/dbraw/zinc/54/76/70/1025547670.db2.gz KPMSZPLQTIVQSC-NRFANRHFSA-N 1 3 343.559 3.924 20 0 EHADHO c1csc(CN2CCC[C@H](C[NH2+]Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000520965100 1025774611 /nfs/dbraw/zinc/77/46/11/1025774611.db2.gz YBCFKBQTJRZGDQ-MRXNPFEDSA-N 1 3 340.496 3.626 20 0 EHADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000611587839 1025932075 /nfs/dbraw/zinc/93/20/75/1025932075.db2.gz WZDZZPYKDVWNJS-LTFPLMDUSA-N 1 3 330.541 3.771 20 0 EHADHO Fc1cccc(CNCCCCC[NH+]2CCCC2)c1OC(F)F ZINC000657474203 1026626650 /nfs/dbraw/zinc/62/66/50/1026626650.db2.gz BMQRMEPDNJVIEO-UHFFFAOYSA-N 1 3 330.394 3.783 20 0 EHADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H](C)C1 ZINC000122988401 1026884566 /nfs/dbraw/zinc/88/45/66/1026884566.db2.gz HUYWRCKXSOTXNA-JEBQAFNWSA-N 1 3 338.442 3.985 20 0 EHADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H](C)C1 ZINC000122988401 1026884575 /nfs/dbraw/zinc/88/45/75/1026884575.db2.gz HUYWRCKXSOTXNA-JEBQAFNWSA-N 1 3 338.442 3.985 20 0 EHADHO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126658607 1027226386 /nfs/dbraw/zinc/22/63/86/1027226386.db2.gz CTHGSEFOCXLYAY-QHCPKHFHSA-N 1 3 349.522 3.520 20 0 EHADHO Cc1ncsc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453093316 1027353066 /nfs/dbraw/zinc/35/30/66/1027353066.db2.gz FSJCFIUXDVOAEH-QRVBRYPASA-N 1 3 341.524 3.984 20 0 EHADHO CC[NH+]1CCC(CCN[C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453114615 1027386100 /nfs/dbraw/zinc/38/61/00/1027386100.db2.gz GPJNQNBNZWSMNQ-QGZVFWFLSA-N 1 3 340.515 3.860 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CCN1C ZINC000453122594 1027400708 /nfs/dbraw/zinc/40/07/08/1027400708.db2.gz QJFVCUUPQFWIRQ-MIUGBVLSSA-N 1 3 341.543 3.502 20 0 EHADHO C[C@@H]1CC[C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2sccc21 ZINC000453175885 1027454616 /nfs/dbraw/zinc/45/46/16/1027454616.db2.gz MIJSPAVVXNOPOX-PBHICJAKSA-N 1 3 345.512 3.812 20 0 EHADHO c1cc2c(cccc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)[nH]1 ZINC000657612371 1027624129 /nfs/dbraw/zinc/62/41/29/1027624129.db2.gz MYYVHCYAJMHMBM-UHFFFAOYSA-N 1 3 334.467 3.565 20 0 EHADHO CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422705859 1027866124 /nfs/dbraw/zinc/86/61/24/1027866124.db2.gz SKGMVKACMZIUDQ-LEWJYISDSA-N 1 3 335.495 3.558 20 0 EHADHO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3CN)CCCCC2)cc1OC ZINC000422735474 1027880943 /nfs/dbraw/zinc/88/09/43/1027880943.db2.gz UWUQCZRRZKGGKI-SJLPKXTDSA-N 1 3 346.515 3.623 20 0 EHADHO CCc1nc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])ccc2n1C1CC1 ZINC000582839340 1027968920 /nfs/dbraw/zinc/96/89/20/1027968920.db2.gz XFXAWZJJYYKSRO-RDJZCZTQSA-N 1 3 326.488 3.541 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnccc1N ZINC000422858745 1027993474 /nfs/dbraw/zinc/99/34/74/1027993474.db2.gz JCRQCIPQTFWMHA-SJORKVTESA-N 1 3 338.499 3.719 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnccc1N ZINC000422858745 1027993488 /nfs/dbraw/zinc/99/34/88/1027993488.db2.gz JCRQCIPQTFWMHA-SJORKVTESA-N 1 3 338.499 3.719 20 0 EHADHO c1ccc(OCc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000459365409 1027993641 /nfs/dbraw/zinc/99/36/41/1027993641.db2.gz BGEMSZFGOYLFKO-UHFFFAOYSA-N 1 3 336.479 3.982 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422876081 1028007422 /nfs/dbraw/zinc/00/74/22/1028007422.db2.gz FYSNXBPFBOEOFT-TXPKVOOTSA-N 1 3 343.540 3.563 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cnccc1N ZINC000422883314 1028015069 /nfs/dbraw/zinc/01/50/69/1028015069.db2.gz QLEANGNFFTVSGR-IRXDYDNUSA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cnccc1N ZINC000422883314 1028015080 /nfs/dbraw/zinc/01/50/80/1028015080.db2.gz QLEANGNFFTVSGR-IRXDYDNUSA-N 1 3 338.499 3.577 20 0 EHADHO CSc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422885122 1028020173 /nfs/dbraw/zinc/02/01/73/1028020173.db2.gz YCNUMXOOGVBBBG-ICSRJNTNSA-N 1 3 340.492 3.754 20 0 EHADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422885914 1028020899 /nfs/dbraw/zinc/02/08/99/1028020899.db2.gz ZLMJATRBIPXZNY-RYRKJORJSA-N 1 3 335.923 3.582 20 0 EHADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422910576 1028042751 /nfs/dbraw/zinc/04/27/51/1028042751.db2.gz IPIARURRBNJIFO-PJFSTRORSA-N 1 3 347.890 3.929 20 0 EHADHO CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422943300 1028069318 /nfs/dbraw/zinc/06/93/18/1028069318.db2.gz QUZGWTHLWIYMGW-KGLIPLIRSA-N 1 3 343.471 3.668 20 0 EHADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423009736 1028120352 /nfs/dbraw/zinc/12/03/52/1028120352.db2.gz DOZBBBKZLRYKQH-RAUXBKROSA-N 1 3 345.506 3.695 20 0 EHADHO CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423026543 1028136595 /nfs/dbraw/zinc/13/65/95/1028136595.db2.gz QGJQUIPIKDQVEL-CIAFKFPVSA-N 1 3 342.527 3.934 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1csc(C(C)(C)C)n1 ZINC000423027222 1028136658 /nfs/dbraw/zinc/13/66/58/1028136658.db2.gz QXSPWMCPLCFBNM-YOEHRIQHSA-N 1 3 331.529 3.531 20 0 EHADHO COc1cc(CNC2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000237336913 1028152901 /nfs/dbraw/zinc/15/29/01/1028152901.db2.gz VOKAMKNYLWMBFX-UHFFFAOYSA-N 1 3 340.467 3.555 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073901 1028163648 /nfs/dbraw/zinc/16/36/48/1028163648.db2.gz SOMURDBMSUYMGL-XNRPHZJLSA-N 1 3 342.314 3.550 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000423127438 1028193881 /nfs/dbraw/zinc/19/38/81/1028193881.db2.gz TVVDRUMMODQRLK-WBMJQRKESA-N 1 3 331.287 3.788 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000423138823 1028223466 /nfs/dbraw/zinc/22/34/66/1028223466.db2.gz UJLOKUNELTWLRW-ZDUSSCGKSA-N 1 3 325.481 3.957 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(Br)c1C ZINC000582917068 1028250962 /nfs/dbraw/zinc/25/09/62/1028250962.db2.gz WYVFCGUVDJCFJY-GFCCVEGCSA-N 1 3 348.288 3.770 20 0 EHADHO CC[C@H]1C[C@]1([NH2+]CCCN1CCN(C(C)C)CC1)c1cccc(C)c1 ZINC000502507868 1028272190 /nfs/dbraw/zinc/27/21/90/1028272190.db2.gz HKIYZAPWZUOOOR-RBBKRZOGSA-N 1 3 343.559 3.626 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cc(-c3ccccc3)nn2C)cc1 ZINC000423293429 1028328386 /nfs/dbraw/zinc/32/83/86/1028328386.db2.gz RIDJOTJLGKNILU-HOTGVXAUSA-N 1 3 334.467 3.958 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)CCN1 ZINC000423390104 1028404310 /nfs/dbraw/zinc/40/43/10/1028404310.db2.gz VSSGYCBHJCJRKR-ISTRZQFTSA-N 1 3 337.305 3.500 20 0 EHADHO COC[C@@]1(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)CCCN1 ZINC000423421189 1028414213 /nfs/dbraw/zinc/41/42/13/1028414213.db2.gz JXCMSGCIRFEELF-GCJKJVERSA-N 1 3 338.495 3.565 20 0 EHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466278 1028453635 /nfs/dbraw/zinc/45/36/35/1028453635.db2.gz NFYAFYFEPFGDBV-HIFRSBDPSA-N 1 3 331.485 3.523 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423526355 1028497602 /nfs/dbraw/zinc/49/76/02/1028497602.db2.gz LHKUTBSIKDZWBZ-QKRWALQYSA-N 1 3 342.527 3.930 20 0 EHADHO C[C@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423526215 1028499267 /nfs/dbraw/zinc/49/92/67/1028499267.db2.gz QCBDSSFOPLWWJV-STQMWFEESA-N 1 3 336.888 3.708 20 0 EHADHO C[C@@H]1C[C@H](CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754159 1028550050 /nfs/dbraw/zinc/55/00/50/1028550050.db2.gz NJKBVUWAULEAEJ-PBFPGSCMSA-N 1 3 332.879 3.741 20 0 EHADHO Clc1ccc(OCC2CC2)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414767762 1028702330 /nfs/dbraw/zinc/70/23/30/1028702330.db2.gz KKCUTZSOSZURBC-IYBDPMFKSA-N 1 3 334.891 3.560 20 0 EHADHO CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OC(F)F ZINC000247146681 1028752654 /nfs/dbraw/zinc/75/26/54/1028752654.db2.gz SPVBVVACDJLWIO-UMVBOHGHSA-N 1 3 342.430 3.505 20 0 EHADHO Fc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777979 1028877323 /nfs/dbraw/zinc/87/73/23/1028877323.db2.gz ISQUSCONTBVHLS-OLZOCXBDSA-N 1 3 330.369 3.666 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(F)ccc32)[C@@H](C)C1 ZINC000245608146 1028919788 /nfs/dbraw/zinc/91/97/88/1028919788.db2.gz RVDWYTOKWJNPOP-NDXORKPFSA-N 1 3 348.506 3.930 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3cc(F)ccc32)[C@@H](C)C1 ZINC000245608146 1028919802 /nfs/dbraw/zinc/91/98/02/1028919802.db2.gz RVDWYTOKWJNPOP-NDXORKPFSA-N 1 3 348.506 3.930 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117351 1029063072 /nfs/dbraw/zinc/06/30/72/1029063072.db2.gz ZSWVPKFMYYUTFV-IAGOWNOFSA-N 1 3 336.907 3.915 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503117351 1029063086 /nfs/dbraw/zinc/06/30/86/1029063086.db2.gz ZSWVPKFMYYUTFV-IAGOWNOFSA-N 1 3 336.907 3.915 20 0 EHADHO Cc1ccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C2CC2)cc1 ZINC000271743620 1029151098 /nfs/dbraw/zinc/15/10/98/1029151098.db2.gz QPIVTJCCCQYQPN-VSKRKVRLSA-N 1 3 342.527 3.804 20 0 EHADHO Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414803437 1029193353 /nfs/dbraw/zinc/19/33/53/1029193353.db2.gz CQOZOHZARFLSGF-MRXNPFEDSA-N 1 3 348.494 3.858 20 0 EHADHO Fc1ccc(C(CN2CC[C@@]3(CC[NH2+]C3)C2)c2ccc(F)cc2)cc1 ZINC000262041168 1029554887 /nfs/dbraw/zinc/55/48/87/1029554887.db2.gz PEOSQJGVHNZUDS-OAQYLSRUSA-N 1 3 342.433 3.782 20 0 EHADHO Cc1ccccc1OCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508694329 1029740034 /nfs/dbraw/zinc/74/00/34/1029740034.db2.gz FXSQSAVUXMVRHN-CTNGQTDRSA-N 1 3 338.495 3.874 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(C)cc2)C2CCCC2)CC1 ZINC000446750065 1029780452 /nfs/dbraw/zinc/78/04/52/1029780452.db2.gz DPRIYXPEWMORLS-QFIPXVFZSA-N 1 3 343.559 3.844 20 0 EHADHO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508713040 1029787610 /nfs/dbraw/zinc/78/76/10/1029787610.db2.gz FEIMQWHOPKXXGN-WDSOQIARSA-N 1 3 344.524 3.590 20 0 EHADHO Cc1c([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cnn1-c1cc(C)ccc1C ZINC000481950456 1030129278 /nfs/dbraw/zinc/12/92/78/1030129278.db2.gz BJRDKMWCGNVGBH-DLBZAZTESA-N 1 3 328.504 3.788 20 0 EHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCCc3ccccc32)ccn1 ZINC000090936847 1030198737 /nfs/dbraw/zinc/19/87/37/1030198737.db2.gz ZBODKAJQSLYSAQ-HXUWFJFHSA-N 1 3 339.483 3.579 20 0 EHADHO COc1cccc(C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000121286340 1030237525 /nfs/dbraw/zinc/23/75/25/1030237525.db2.gz JGFJWHABVDIZEZ-RXVVDRJESA-N 1 3 330.516 3.726 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H]1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625176 1030286532 /nfs/dbraw/zinc/28/65/32/1030286532.db2.gz ORFZJCKTBMTIEE-YADHBBJMSA-N 1 3 346.478 3.568 20 0 EHADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625176 1030286545 /nfs/dbraw/zinc/28/65/45/1030286545.db2.gz ORFZJCKTBMTIEE-YADHBBJMSA-N 1 3 346.478 3.568 20 0 EHADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000121893310 1030433996 /nfs/dbraw/zinc/43/39/96/1030433996.db2.gz NZJXQFQEKNCKOR-KBXCAEBGSA-N 1 3 334.891 3.936 20 0 EHADHO Cc1cc(C)nc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000122360415 1030635090 /nfs/dbraw/zinc/63/50/90/1030635090.db2.gz DGTUNDMAKXNDNH-UHFFFAOYSA-N 1 3 338.499 3.841 20 0 EHADHO CCC(CC)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550882589 1030758308 /nfs/dbraw/zinc/75/83/08/1030758308.db2.gz OPEJXGTTZWUANJ-IBGZPJMESA-N 1 3 330.516 3.693 20 0 EHADHO CCOC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000551258914 1031164382 /nfs/dbraw/zinc/16/43/82/1031164382.db2.gz LUOHIUNWERXMOF-PCCBWWKXSA-N 1 3 342.527 3.836 20 0 EHADHO COc1c(C)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698689 1031182930 /nfs/dbraw/zinc/18/29/30/1031182930.db2.gz WEDPADWDNIXKHT-QUCCMNQESA-N 1 3 328.500 3.761 20 0 EHADHO COc1c(C)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698689 1031182932 /nfs/dbraw/zinc/18/29/32/1031182932.db2.gz WEDPADWDNIXKHT-QUCCMNQESA-N 1 3 328.500 3.761 20 0 EHADHO COc1cc(F)cc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903183143 1031269140 /nfs/dbraw/zinc/26/91/40/1031269140.db2.gz KVOQTLRRXVXGHO-ZEIDCXACSA-N 1 3 332.463 3.513 20 0 EHADHO COc1cc(F)cc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903183143 1031269156 /nfs/dbraw/zinc/26/91/56/1031269156.db2.gz KVOQTLRRXVXGHO-ZEIDCXACSA-N 1 3 332.463 3.513 20 0 EHADHO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000568277549 1031301883 /nfs/dbraw/zinc/30/18/83/1031301883.db2.gz YVPQUBVCVVYGGE-TYPHKJRUSA-N 1 3 329.532 3.532 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995541 1031442802 /nfs/dbraw/zinc/44/28/02/1031442802.db2.gz QVXDDFCZNDHISY-LPHOPBHVSA-N 1 3 343.515 3.791 20 0 EHADHO c1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133076289 1031504683 /nfs/dbraw/zinc/50/46/83/1031504683.db2.gz LQCSWNLYLWYJAI-UTKZUKDTSA-N 1 3 328.500 3.545 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1OC ZINC000584140373 1031793485 /nfs/dbraw/zinc/79/34/85/1031793485.db2.gz FYGZIYQESGXLAL-IKGGRYGDSA-N 1 3 334.504 3.516 20 0 EHADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3cnc4ccccc4c3)C2)cc1 ZINC000728594620 1033425346 /nfs/dbraw/zinc/42/53/46/1033425346.db2.gz SCCXLUZHPOBCHN-FQEVSTJZSA-N 1 3 345.490 3.889 20 0 EHADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(=O)OC(C)(C)C ZINC000595001774 1033628937 /nfs/dbraw/zinc/62/89/37/1033628937.db2.gz YNEKZSMLUGVOHV-KSZLIROESA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(=O)OC(C)(C)C ZINC000595001774 1033628944 /nfs/dbraw/zinc/62/89/44/1033628944.db2.gz YNEKZSMLUGVOHV-KSZLIROESA-N 1 3 338.536 3.597 20 0 EHADHO FCC1(CF)CC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000658019559 1033844315 /nfs/dbraw/zinc/84/43/15/1033844315.db2.gz RCAJMPJMXUTNNL-GOSISDBHSA-N 1 3 336.470 3.966 20 0 EHADHO FC(F)(F)[C@@H]1CC[C@H](CN2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC001168316316 1033993330 /nfs/dbraw/zinc/99/33/30/1033993330.db2.gz AJJSWEKDSFQHQT-SJORKVTESA-N 1 3 348.453 3.684 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000643493426 1034036691 /nfs/dbraw/zinc/03/66/91/1034036691.db2.gz NQFQEBKPOOWLCJ-AWEZNQCLSA-N 1 3 329.875 3.928 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[C@@H](C)O2)CC1 ZINC000658216863 1034100120 /nfs/dbraw/zinc/10/01/20/1034100120.db2.gz VHISZDBUWXSMDY-WAOWUJCRSA-N 1 3 330.516 3.629 20 0 EHADHO CCOc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000643493867 1034120956 /nfs/dbraw/zinc/12/09/56/1034120956.db2.gz XPRZLXZXOHCPBA-CVEARBPZSA-N 1 3 341.499 3.777 20 0 EHADHO CC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000339490651 1034131146 /nfs/dbraw/zinc/13/11/46/1034131146.db2.gz VRZZRJAPPYATSE-HXUWFJFHSA-N 1 3 342.527 3.695 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486694 1034285107 /nfs/dbraw/zinc/28/51/07/1034285107.db2.gz DCVOMNDATLJTNU-KGLIPLIRSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486694 1034285126 /nfs/dbraw/zinc/28/51/26/1034285126.db2.gz DCVOMNDATLJTNU-KGLIPLIRSA-N 1 3 339.886 3.520 20 0 EHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181901 1034411430 /nfs/dbraw/zinc/41/14/30/1034411430.db2.gz JXDMBEGIRDBLNO-LEWJYISDSA-N 1 3 337.467 3.570 20 0 EHADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181901 1034411441 /nfs/dbraw/zinc/41/14/41/1034411441.db2.gz JXDMBEGIRDBLNO-LEWJYISDSA-N 1 3 337.467 3.570 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000604769611 1034487523 /nfs/dbraw/zinc/48/75/23/1034487523.db2.gz AGJZVEWQTAFHNB-INIZCTEOSA-N 1 3 334.467 3.878 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000604769611 1034487531 /nfs/dbraw/zinc/48/75/31/1034487531.db2.gz AGJZVEWQTAFHNB-INIZCTEOSA-N 1 3 334.467 3.878 20 0 EHADHO COc1cc(CN2CCC3(CCC[N@H+](C)C3)CC2)ccc1C(F)F ZINC001279705929 1035524615 /nfs/dbraw/zinc/52/46/15/1035524615.db2.gz DWGFBWFGGTZARC-UHFFFAOYSA-N 1 3 338.442 3.941 20 0 EHADHO COc1cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)ccc1C(F)F ZINC001279705929 1035524622 /nfs/dbraw/zinc/52/46/22/1035524622.db2.gz DWGFBWFGGTZARC-UHFFFAOYSA-N 1 3 338.442 3.941 20 0 EHADHO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000588204816 1035823281 /nfs/dbraw/zinc/82/32/81/1035823281.db2.gz ZGQDUYWPIIKTFW-IAGOWNOFSA-N 1 3 338.536 3.599 20 0 EHADHO CC[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588711182 1035979241 /nfs/dbraw/zinc/97/92/41/1035979241.db2.gz MSUZAHPWLSELFV-BBTUJRGHSA-N 1 3 330.516 3.959 20 0 EHADHO C[C@H](c1cccc(F)c1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710069 1035979403 /nfs/dbraw/zinc/97/94/03/1035979403.db2.gz HAAUYDCOCRHUME-BRWVUGGUSA-N 1 3 334.479 3.708 20 0 EHADHO Fc1cccc2c1CC[C@@]21CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168396386 1036692321 /nfs/dbraw/zinc/69/23/21/1036692321.db2.gz FBUOXLGZZBZTOF-JOCHJYFZSA-N 1 3 342.502 3.980 20 0 EHADHO Fc1cccc2c1CC[C@@]21CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168396386 1036692331 /nfs/dbraw/zinc/69/23/31/1036692331.db2.gz FBUOXLGZZBZTOF-JOCHJYFZSA-N 1 3 342.502 3.980 20 0 EHADHO FC(F)(F)c1cccc(CCCCN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000647538767 1037011733 /nfs/dbraw/zinc/01/17/33/1037011733.db2.gz HCTHRXIIFZATBD-QGZVFWFLSA-N 1 3 326.406 3.714 20 0 EHADHO CC(C)n1ncc2cc(CN3CCC(C[N@H+](C)C(C)C)CC3)cnc21 ZINC000590786275 1037050050 /nfs/dbraw/zinc/05/00/50/1037050050.db2.gz LZJWRNUFBYONTR-UHFFFAOYSA-N 1 3 343.519 3.564 20 0 EHADHO CC(C)n1ncc2cc(CN3CCC(C[N@@H+](C)C(C)C)CC3)cnc21 ZINC000590786275 1037050064 /nfs/dbraw/zinc/05/00/64/1037050064.db2.gz LZJWRNUFBYONTR-UHFFFAOYSA-N 1 3 343.519 3.564 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046202 1037170364 /nfs/dbraw/zinc/17/03/64/1037170364.db2.gz VAQNJNFWYMZZLR-CABCVRRESA-N 1 3 328.422 3.956 20 0 EHADHO C[C@H]1CN(CC2CC[NH+](CCSc3ccccc3)CC2)C[C@H](C)O1 ZINC000303534213 1037526533 /nfs/dbraw/zinc/52/65/33/1037526533.db2.gz IDCIOFCASVDKFG-ROUUACIJSA-N 1 3 348.556 3.600 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1sccc1Br ZINC000532520826 1037560804 /nfs/dbraw/zinc/56/08/04/1037560804.db2.gz SJKRVVZQKODLCC-VXGBXAGGSA-N 1 3 349.338 3.518 20 0 EHADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463074062 1037739356 /nfs/dbraw/zinc/73/93/56/1037739356.db2.gz OIOARVYCOIAIJT-XAPVIXHLSA-N 1 3 343.559 3.750 20 0 EHADHO CCN1CCC([NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000540408706 1037903863 /nfs/dbraw/zinc/90/38/63/1037903863.db2.gz XHCGBIIZSWHETL-OAQYLSRUSA-N 1 3 342.458 3.998 20 0 EHADHO c1ccc(C2(CNC3CC[NH+](C4CCCCC4)CC3)CCC2)nc1 ZINC000367610087 1038154571 /nfs/dbraw/zinc/15/45/71/1038154571.db2.gz ZZJOGLAJMNNERE-UHFFFAOYSA-N 1 3 327.516 3.890 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](N)C2CC2)CCC3)cc1 ZINC000643516335 1038611564 /nfs/dbraw/zinc/61/15/64/1038611564.db2.gz CIIRBRKASJXGAN-CVEARBPZSA-N 1 3 343.496 3.523 20 0 EHADHO CC[NH+](CC)CCCC1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000182762256 1038634223 /nfs/dbraw/zinc/63/42/23/1038634223.db2.gz PUVQHPWGFIAJSK-HXUWFJFHSA-N 1 3 336.495 3.693 20 0 EHADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488433320 1039176704 /nfs/dbraw/zinc/17/67/04/1039176704.db2.gz HXDGICFFVLEFDA-ZCNNSNEGSA-N 1 3 332.557 3.671 20 0 EHADHO COc1ccc([C@H](N[C@H]2CC23CC[NH2+]CC3)c2ccc(F)cc2)cc1 ZINC000643535788 1039421649 /nfs/dbraw/zinc/42/16/49/1039421649.db2.gz PBWHKEZILLZSKF-VQTJNVASSA-N 1 3 340.442 3.655 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417303269 1039642464 /nfs/dbraw/zinc/64/24/64/1039642464.db2.gz ADCOCHDUCLYNSI-DFBDCSAJSA-N 1 3 336.545 3.719 20 0 EHADHO CO[C@@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)CC(C)C ZINC000417370195 1039742002 /nfs/dbraw/zinc/74/20/02/1039742002.db2.gz PQGUPKKXNHTJBU-WIYYLYMNSA-N 1 3 332.532 3.733 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000480749527 1039971958 /nfs/dbraw/zinc/97/19/58/1039971958.db2.gz OQENWDUSTNXWJC-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000480749527 1039971975 /nfs/dbraw/zinc/97/19/75/1039971975.db2.gz OQENWDUSTNXWJC-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO C[NH+]1CCC(N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480752595 1039974404 /nfs/dbraw/zinc/97/44/04/1039974404.db2.gz AFEMIPGWUXFYLK-INIZCTEOSA-N 1 3 341.268 3.723 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667786523 1040191756 /nfs/dbraw/zinc/19/17/56/1040191756.db2.gz SYZYSJGPZRXQFC-CZAAIQMYSA-N 1 3 328.500 3.718 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667786523 1040191762 /nfs/dbraw/zinc/19/17/62/1040191762.db2.gz SYZYSJGPZRXQFC-CZAAIQMYSA-N 1 3 328.500 3.718 20 0 EHADHO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646190 1040304422 /nfs/dbraw/zinc/30/44/22/1040304422.db2.gz RNPIWVFZUNBUSR-FZKQIMNGSA-N 1 3 347.409 3.675 20 0 EHADHO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646190 1040304434 /nfs/dbraw/zinc/30/44/34/1040304434.db2.gz RNPIWVFZUNBUSR-FZKQIMNGSA-N 1 3 347.409 3.675 20 0 EHADHO CC(C)(C)c1nc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925627250 1040306804 /nfs/dbraw/zinc/30/68/04/1040306804.db2.gz VKXUCCYVQMLAMQ-SJORKVTESA-N 1 3 335.561 3.741 20 0 EHADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC000555510865 1040716982 /nfs/dbraw/zinc/71/69/82/1040716982.db2.gz FEQCKGPELOLXRD-RTBURBONSA-N 1 3 338.536 3.600 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC/C=C/c2ccncc2)[C@@H]1c1cccs1 ZINC000487265498 1040852562 /nfs/dbraw/zinc/85/25/62/1040852562.db2.gz HKHJTDFSQQVXQX-CPJNTHAASA-N 1 3 327.497 3.829 20 0 EHADHO C[N@H+]1CCC[C@H](CNC/C=C/c2ccncc2)[C@@H]1c1cccs1 ZINC000487265498 1040852574 /nfs/dbraw/zinc/85/25/74/1040852574.db2.gz HKHJTDFSQQVXQX-CPJNTHAASA-N 1 3 327.497 3.829 20 0 EHADHO Cc1nc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)[nH]c1C ZINC000571061065 1041172021 /nfs/dbraw/zinc/17/20/21/1041172021.db2.gz NYSJOVIHVJTDSX-UHFFFAOYSA-N 1 3 346.906 3.682 20 0 EHADHO c1ccc(CNC2CC[NH+](CCCOCc3ccccc3)CC2)cc1 ZINC000660678041 1041770309 /nfs/dbraw/zinc/77/03/09/1041770309.db2.gz PYLDLTYFDHHOBK-UHFFFAOYSA-N 1 3 338.495 3.848 20 0 EHADHO Cc1ccccc1-c1cnc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662296175 1042665123 /nfs/dbraw/zinc/66/51/23/1042665123.db2.gz YLBMCPWPLXQOEU-SFHVURJKSA-N 1 3 339.483 3.862 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291994 1042665163 /nfs/dbraw/zinc/66/51/63/1042665163.db2.gz BOZFSMFGOFCXDZ-MRXNPFEDSA-N 1 3 345.512 3.923 20 0 EHADHO C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663467262 1042888792 /nfs/dbraw/zinc/88/87/92/1042888792.db2.gz ZTBZAZDSPUEIMI-JSOIOWGOSA-N 1 3 334.548 3.968 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663471844 1042902682 /nfs/dbraw/zinc/90/26/82/1042902682.db2.gz YRJNTGODKYEFOM-LMMKCTJWSA-N 1 3 330.516 3.899 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512150231 1043471806 /nfs/dbraw/zinc/47/18/06/1043471806.db2.gz VIVYWDVJLQGEHR-IRLDBZIGSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512150231 1043471813 /nfs/dbraw/zinc/47/18/13/1043471813.db2.gz VIVYWDVJLQGEHR-IRLDBZIGSA-N 1 3 343.559 3.876 20 0 EHADHO C/C(=C/c1ccccc1)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512183668 1043739077 /nfs/dbraw/zinc/73/90/77/1043739077.db2.gz VXMLSONRJKELLH-NRZMJHENSA-N 1 3 342.527 3.911 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCCO4)[C@@H]3C2)cc1 ZINC000512297691 1044562583 /nfs/dbraw/zinc/56/25/83/1044562583.db2.gz ZXOPCKLLCMJFES-KJJMTIBFSA-N 1 3 342.527 3.836 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000122964245 1044613458 /nfs/dbraw/zinc/61/34/58/1044613458.db2.gz QIEDZPSKHMXBMY-QGZVFWFLSA-N 1 3 326.488 3.787 20 0 EHADHO COC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CC1 ZINC000183373602 1125542194 /nfs/dbraw/zinc/54/21/94/1125542194.db2.gz CWKBCAAEDLQCPE-OXQOHEQNSA-N 1 3 346.515 3.757 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000171130872 1126752374 /nfs/dbraw/zinc/75/23/74/1126752374.db2.gz NPOHQUMTMQATEK-HNNXBMFYSA-N 1 3 328.456 3.616 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc3c[nH]nc3c2)CC1 ZINC000671301268 1126884897 /nfs/dbraw/zinc/88/48/97/1126884897.db2.gz DEQUZOCDAJFKRQ-IERDGZPVSA-N 1 3 340.515 3.738 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338037 1126920225 /nfs/dbraw/zinc/92/02/25/1126920225.db2.gz HYCHREMETXFVPH-QFBILLFUSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338037 1126920228 /nfs/dbraw/zinc/92/02/28/1126920228.db2.gz HYCHREMETXFVPH-QFBILLFUSA-N 1 3 349.950 3.939 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1(C)C ZINC000623363418 1126932846 /nfs/dbraw/zinc/93/28/46/1126932846.db2.gz SYIZEYOOMCYUOH-SFHVURJKSA-N 1 3 339.483 3.623 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000623639224 1126999222 /nfs/dbraw/zinc/99/92/22/1126999222.db2.gz HVKZGRROODOCOV-NRFANRHFSA-N 1 3 339.483 3.653 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000178040984 1127005064 /nfs/dbraw/zinc/00/50/64/1127005064.db2.gz IYJAZFGFMHPFON-BBWFWOEESA-N 1 3 330.472 3.973 20 0 EHADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000623655717 1127005729 /nfs/dbraw/zinc/00/57/29/1127005729.db2.gz CJRVWQJJDQELTK-AWEZNQCLSA-N 1 3 332.879 3.552 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178413942 1127016651 /nfs/dbraw/zinc/01/66/51/1127016651.db2.gz NRKSQCDWFUPLNV-CQSZACIVSA-N 1 3 330.394 3.764 20 0 EHADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000181263808 1127271907 /nfs/dbraw/zinc/27/19/07/1127271907.db2.gz ZOMUXOFRVRDJMG-RBSFLKMASA-N 1 3 344.421 3.935 20 0 EHADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000181263808 1127271911 /nfs/dbraw/zinc/27/19/11/1127271911.db2.gz ZOMUXOFRVRDJMG-RBSFLKMASA-N 1 3 344.421 3.935 20 0 EHADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354172359 1127273428 /nfs/dbraw/zinc/27/34/28/1127273428.db2.gz PBSSLLSDINNTIO-AYHJJNSGSA-N 1 3 327.497 3.737 20 0 EHADHO C[C@H](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000184333219 1127401904 /nfs/dbraw/zinc/40/19/04/1127401904.db2.gz VQAVPQLGGMNAQJ-WWDZGPRUSA-N 1 3 338.536 3.741 20 0 EHADHO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185673742 1127429379 /nfs/dbraw/zinc/42/93/79/1127429379.db2.gz UYKGCXPGBRRMTR-IAGOWNOFSA-N 1 3 338.536 3.741 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000765516135 1127634845 /nfs/dbraw/zinc/63/48/45/1127634845.db2.gz SPPTZVPOAMKQGO-CVEARBPZSA-N 1 3 325.456 3.695 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000765516135 1127634848 /nfs/dbraw/zinc/63/48/48/1127634848.db2.gz SPPTZVPOAMKQGO-CVEARBPZSA-N 1 3 325.456 3.695 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CNCc2cccs2)cc1OC ZINC000069750049 1128291471 /nfs/dbraw/zinc/29/14/71/1128291471.db2.gz PHRLEJIPBQLOIJ-UHFFFAOYSA-N 1 3 348.512 3.767 20 0 EHADHO Cc1cccc(C)c1C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303790767 1128696864 /nfs/dbraw/zinc/69/68/64/1128696864.db2.gz UWXNXSFLOWBDBA-RTBURBONSA-N 1 3 330.516 3.625 20 0 EHADHO Cc1ccc(-c2ccccc2C[NH2+]C[C@@H](O)CN2CCCC2)c(C)c1 ZINC001648914338 1120148324 /nfs/dbraw/zinc/14/83/24/1120148324.db2.gz SIFRHBAVYZACDF-HXUWFJFHSA-N 1 3 338.495 3.517 20 0 EHADHO C[C@@H](CN1CCCCCC1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000186740872 1120473095 /nfs/dbraw/zinc/47/30/95/1120473095.db2.gz XIBMJOPCDFSLOJ-IBGZPJMESA-N 1 3 329.532 3.505 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000542482735 1120564869 /nfs/dbraw/zinc/56/48/69/1120564869.db2.gz AEMJDNHETCIULM-FTSHXLFYSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1csc(Cl)c1 ZINC000191231652 1120665441 /nfs/dbraw/zinc/66/54/41/1120665441.db2.gz URJXEBPKXDXIHM-MCIONIFRSA-N 1 3 330.925 3.942 20 0 EHADHO CC(C)[NH+]1CCN(CCCN(C)[C@H](C)c2ccccc2Cl)CC1 ZINC000191455215 1120674956 /nfs/dbraw/zinc/67/49/56/1120674956.db2.gz KJRBVCXJMDGRJJ-QGZVFWFLSA-N 1 3 337.939 3.749 20 0 EHADHO Cc1cccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000191509320 1120676371 /nfs/dbraw/zinc/67/63/71/1120676371.db2.gz OLPKAGXRUCIKHY-QFIPXVFZSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000191509320 1120676375 /nfs/dbraw/zinc/67/63/75/1120676375.db2.gz OLPKAGXRUCIKHY-QFIPXVFZSA-N 1 3 343.559 3.856 20 0 EHADHO C[NH+]1CCC(C)(CNCc2ccc(Cl)cc2Br)CC1 ZINC000227330242 1120875886 /nfs/dbraw/zinc/87/58/86/1120875886.db2.gz RRIADVRCLWYXBH-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC000125915747 1122358530 /nfs/dbraw/zinc/35/85/30/1122358530.db2.gz ZRJAYQIMZCJBPY-YJBOKZPZSA-N 1 3 347.503 3.660 20 0 EHADHO COCc1ccccc1/C=C(/C)CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000556868150 1123159056 /nfs/dbraw/zinc/15/90/56/1123159056.db2.gz HWVOZESTEHZTPL-KQBGPCOYSA-N 1 3 328.500 3.652 20 0 EHADHO COCc1ccccc1/C=C(/C)CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000556868150 1123159059 /nfs/dbraw/zinc/15/90/59/1123159059.db2.gz HWVOZESTEHZTPL-KQBGPCOYSA-N 1 3 328.500 3.652 20 0 EHADHO C[C@H](CCc1ccccc1F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247112802 1124588894 /nfs/dbraw/zinc/58/88/94/1124588894.db2.gz TZJXYVHMBHHLNK-KZNAEPCWSA-N 1 3 336.495 3.626 20 0 EHADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889335 1124713638 /nfs/dbraw/zinc/71/36/38/1124713638.db2.gz RUBIBNJQSCAWBI-AEFFLSMTSA-N 1 3 336.495 3.677 20 0 EHADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889335 1124713645 /nfs/dbraw/zinc/71/36/45/1124713645.db2.gz RUBIBNJQSCAWBI-AEFFLSMTSA-N 1 3 336.495 3.677 20 0 EHADHO C[NH+]1CCC(CN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000089701568 1124839560 /nfs/dbraw/zinc/83/95/60/1124839560.db2.gz PNNWHIWXDPNVOO-HNNXBMFYSA-N 1 3 341.268 3.507 20 0 EHADHO C[NH2+]CCC1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000070188971 1125238781 /nfs/dbraw/zinc/23/87/81/1125238781.db2.gz PHZKWFLCGYZIEJ-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCOC2)ccc1OC ZINC000182527586 1125325788 /nfs/dbraw/zinc/32/57/88/1125325788.db2.gz MJLRSSVWHBBWCW-IRXDYDNUSA-N 1 3 334.504 3.614 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1CN1CCCCC1 ZINC000186785894 1129826073 /nfs/dbraw/zinc/82/60/73/1129826073.db2.gz HONWOUJPMQTDTH-PWIZWCRZSA-N 1 3 346.515 3.635 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067344 1129996336 /nfs/dbraw/zinc/99/63/36/1129996336.db2.gz IJAUTCMTIPLAFV-VQIMIIECSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1[nH]nc2ccccc21 ZINC000674067344 1129996339 /nfs/dbraw/zinc/99/63/39/1129996339.db2.gz IJAUTCMTIPLAFV-VQIMIIECSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1[nH]nc2ccccc21 ZINC000674067344 1129996341 /nfs/dbraw/zinc/99/63/41/1129996341.db2.gz IJAUTCMTIPLAFV-VQIMIIECSA-N 1 3 334.467 3.563 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)o1 ZINC000658166728 1130221655 /nfs/dbraw/zinc/22/16/55/1130221655.db2.gz OHYCLDLUPLJXCB-INIZCTEOSA-N 1 3 327.472 3.854 20 0 EHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246100975 1130343804 /nfs/dbraw/zinc/34/38/04/1130343804.db2.gz BTUDGAVORZOMIG-KGLIPLIRSA-N 1 3 330.394 3.920 20 0 EHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246100975 1130343811 /nfs/dbraw/zinc/34/38/11/1130343811.db2.gz BTUDGAVORZOMIG-KGLIPLIRSA-N 1 3 330.394 3.920 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ncc[nH]1 ZINC000286212360 1130628021 /nfs/dbraw/zinc/62/80/21/1130628021.db2.gz SAZMLFCDNJYWDG-AWEZNQCLSA-N 1 3 332.879 3.626 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885048 1131554285 /nfs/dbraw/zinc/55/42/85/1131554285.db2.gz YKHBLPNOHOJNAH-QAPCUYQASA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885048 1131554290 /nfs/dbraw/zinc/55/42/90/1131554290.db2.gz YKHBLPNOHOJNAH-QAPCUYQASA-N 1 3 342.483 3.714 20 0 EHADHO CC(C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001172436799 1131740673 /nfs/dbraw/zinc/74/06/73/1131740673.db2.gz IRLRDCAOVHURGJ-INIZCTEOSA-N 1 3 338.923 3.879 20 0 EHADHO CC(C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001172436801 1131741289 /nfs/dbraw/zinc/74/12/89/1131741289.db2.gz IRLRDCAOVHURGJ-MRXNPFEDSA-N 1 3 338.923 3.879 20 0 EHADHO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000180498351 1131742941 /nfs/dbraw/zinc/74/29/41/1131742941.db2.gz RLILUSMLESTPDQ-CQSZACIVSA-N 1 3 346.906 3.934 20 0 EHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC2(CN(C)C2)CC1 ZINC001172579038 1131791832 /nfs/dbraw/zinc/79/18/32/1131791832.db2.gz UYBFGBCZXJBWBO-ZDUSSCGKSA-N 1 3 342.861 3.967 20 0 EHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@H](OC)C2)CC1 ZINC001172939378 1131913010 /nfs/dbraw/zinc/91/30/10/1131913010.db2.gz OYBVYGIEDSHQCI-SFTDATJTSA-N 1 3 330.516 3.931 20 0 EHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@H](OC)C2)CC1 ZINC001172939378 1131913016 /nfs/dbraw/zinc/91/30/16/1131913016.db2.gz OYBVYGIEDSHQCI-SFTDATJTSA-N 1 3 330.516 3.931 20 0 EHADHO CCc1ccc(C[C@@H](C)N2CCC([NH3+])(Cc3ccccn3)CC2)cc1 ZINC001173241249 1132029143 /nfs/dbraw/zinc/02/91/43/1132029143.db2.gz LTTOJNPHTYOSLT-GOSISDBHSA-N 1 3 337.511 3.611 20 0 EHADHO CN(CC1CC1)C[C@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382352 1132505384 /nfs/dbraw/zinc/50/53/84/1132505384.db2.gz LLHFRNQWQQWPMM-QGZVFWFLSA-N 1 3 341.524 3.992 20 0 EHADHO CN(CC1CC1)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382352 1132505389 /nfs/dbraw/zinc/50/53/89/1132505389.db2.gz LLHFRNQWQQWPMM-QGZVFWFLSA-N 1 3 341.524 3.992 20 0 EHADHO Cc1nc(F)ccc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000785485438 1132600685 /nfs/dbraw/zinc/60/06/85/1132600685.db2.gz HCODQXNFFOBVDY-HOTGVXAUSA-N 1 3 341.474 3.775 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCCCC1)C2 ZINC001169089250 1132660365 /nfs/dbraw/zinc/66/03/65/1132660365.db2.gz ACMCARLCXBZRFY-ACDBMABISA-N 1 3 327.516 3.782 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C3(C(F)(F)F)N=N3)cc1)C2 ZINC001169107810 1132669939 /nfs/dbraw/zinc/66/99/39/1132669939.db2.gz KNXXKALRQAJPQY-QDMKHBRRSA-N 1 3 338.377 3.582 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115729 1132672355 /nfs/dbraw/zinc/67/23/55/1132672355.db2.gz NPOGNHWPLOIWFV-WCXIOVBPSA-N 1 3 339.405 3.766 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC(F)F)cc1 ZINC000768160833 1133102440 /nfs/dbraw/zinc/10/24/40/1133102440.db2.gz SPHAIAHPGDAQAZ-UHFFFAOYSA-N 1 3 334.410 3.982 20 0 EHADHO COc1cccc2cc(CN3CCC(C[NH+]4CCCC4)CC3)oc21 ZINC000768302694 1133122354 /nfs/dbraw/zinc/12/23/54/1133122354.db2.gz JZJUUFJMFNJHAD-UHFFFAOYSA-N 1 3 328.456 3.749 20 0 EHADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001183095262 1133768195 /nfs/dbraw/zinc/76/81/95/1133768195.db2.gz NVJMBSWSGNUPDS-CEXWTWQISA-N 1 3 334.548 3.824 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525433 1134143330 /nfs/dbraw/zinc/14/33/30/1134143330.db2.gz CZJATPVIERHWTK-SJORKVTESA-N 1 3 339.483 3.870 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525433 1134143333 /nfs/dbraw/zinc/14/33/33/1134143333.db2.gz CZJATPVIERHWTK-SJORKVTESA-N 1 3 339.483 3.870 20 0 EHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cc[nH]c(=O)c1 ZINC000788778557 1134174225 /nfs/dbraw/zinc/17/42/25/1134174225.db2.gz SUEILKFNTXKCNH-KRWDZBQOSA-N 1 3 339.483 3.870 20 0 EHADHO C[C@H](CCN(C)C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780721806 1134496489 /nfs/dbraw/zinc/49/64/89/1134496489.db2.gz DMICHXKXHFIDAV-FHLIZLRMSA-N 1 3 347.503 3.627 20 0 EHADHO COCC1CC[NH+](CCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001190933130 1134766138 /nfs/dbraw/zinc/76/61/38/1134766138.db2.gz BQRFBHJNNFXCJL-UHFFFAOYSA-N 1 3 344.543 3.690 20 0 EHADHO Cc1cc(F)cc(Br)c1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651878 1135225073 /nfs/dbraw/zinc/22/50/73/1135225073.db2.gz KZPXCRFCFUCZTE-DGCLKSJQSA-N 1 3 343.284 3.703 20 0 EHADHO c1[nH]nc2cc(CNC[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC001199850413 1135931831 /nfs/dbraw/zinc/93/18/31/1135931831.db2.gz FSHBAPAVDZLOMI-LJQANCHMSA-N 1 3 334.467 3.565 20 0 EHADHO c1[nH]nc2cc(CNC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC001199850413 1135931834 /nfs/dbraw/zinc/93/18/34/1135931834.db2.gz FSHBAPAVDZLOMI-LJQANCHMSA-N 1 3 334.467 3.565 20 0 EHADHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201504003 1136029799 /nfs/dbraw/zinc/02/97/99/1136029799.db2.gz TZXSXRLYELVIJK-IAGOWNOFSA-N 1 3 336.545 3.850 20 0 EHADHO Cc1cc(CNCC[C@@H]([NH3+])C(C)C)cc(C)c1OCc1ccccn1 ZINC000853247685 1136522109 /nfs/dbraw/zinc/52/21/09/1136522109.db2.gz XVLVFOBXEOXYKT-HXUWFJFHSA-N 1 3 341.499 3.740 20 0 EHADHO C[NH+]1CCC2(CCCN(Cc3conc3Cc3ccccc3)C2)CC1 ZINC000816598893 1136739945 /nfs/dbraw/zinc/73/99/45/1136739945.db2.gz UBSXZQNOGMXKDA-UHFFFAOYSA-N 1 3 339.483 3.573 20 0 EHADHO C[C@@H](NCC(C)(C)Sc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000817898060 1136843983 /nfs/dbraw/zinc/84/39/83/1136843983.db2.gz ZDLXIUDQRLFQEY-LLVKDONJSA-N 1 3 343.334 3.517 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000817962176 1136852078 /nfs/dbraw/zinc/85/20/78/1136852078.db2.gz GWCSWYQONKKGFC-LSDHHAIUSA-N 1 3 339.439 3.514 20 0 EHADHO Cc1ccc([C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000819078288 1136911887 /nfs/dbraw/zinc/91/18/87/1136911887.db2.gz IHQPSLQYNXFONT-XMSQKQJNSA-N 1 3 338.495 3.844 20 0 EHADHO Cc1ccc([C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000819078286 1136912063 /nfs/dbraw/zinc/91/20/63/1136912063.db2.gz IHQPSLQYNXFONT-GCJKJVERSA-N 1 3 338.495 3.844 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1(C)C ZINC000858188665 1136947952 /nfs/dbraw/zinc/94/79/52/1136947952.db2.gz WZEVWVRNWUHLSR-QGZVFWFLSA-N 1 3 347.503 3.996 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccnc(Cl)c2F)C1 ZINC000823659702 1137108581 /nfs/dbraw/zinc/10/85/81/1137108581.db2.gz NYHPOJSVFFVPCF-KBPBESRZSA-N 1 3 327.875 3.722 20 0 EHADHO Fc1c(CNCC2CC[NH+](Cc3ccccc3)CC2)ccnc1Cl ZINC000823702073 1137110136 /nfs/dbraw/zinc/11/01/36/1137110136.db2.gz LAMHDNHCTYSNGK-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO Cc1c(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccnc1F ZINC000862284577 1137137302 /nfs/dbraw/zinc/13/73/02/1137137302.db2.gz KHZLESIYPPTKSG-HOTGVXAUSA-N 1 3 341.474 3.775 20 0 EHADHO C[NH+]1CCC2(CN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)CC1 ZINC001171089418 1137178166 /nfs/dbraw/zinc/17/81/66/1137178166.db2.gz ZXMPFAUZGSVJGC-OAHLLOKOSA-N 1 3 339.310 3.878 20 0 EHADHO Clc1cc2c(cc1Cl)C[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC001171134739 1137235894 /nfs/dbraw/zinc/23/58/94/1137235894.db2.gz ZGDDEYZZNHTWGJ-HNNXBMFYSA-N 1 3 327.299 3.926 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccn1 ZINC000866257056 1137339912 /nfs/dbraw/zinc/33/99/12/1137339912.db2.gz FBOODCIYLCSUMZ-RBBKRZOGSA-N 1 3 337.511 3.933 20 0 EHADHO C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000866256632 1137340081 /nfs/dbraw/zinc/34/00/81/1137340081.db2.gz AUKXCIYYBSBITK-SIKLNZKXSA-N 1 3 337.511 3.557 20 0 EHADHO CSc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000348133047 1137444578 /nfs/dbraw/zinc/44/45/78/1137444578.db2.gz JPITYLFRFJZLSD-VQIMIIECSA-N 1 3 341.524 3.804 20 0 EHADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000773029508 1137460517 /nfs/dbraw/zinc/46/05/17/1137460517.db2.gz JUEITHJHFYDLCF-FUHWJXTLSA-N 1 3 340.458 3.629 20 0 EHADHO C1C[C@@H]2SCCS[C@H]2[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000773139143 1137468552 /nfs/dbraw/zinc/46/85/52/1137468552.db2.gz SGTNXMQBUNGBEB-SQNIBIBYSA-N 1 3 340.602 3.753 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172101894 1137532566 /nfs/dbraw/zinc/53/25/66/1137532566.db2.gz IBLXMCQETCPONZ-YUMYIRISSA-N 1 3 341.543 3.504 20 0 EHADHO CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062695 1137532944 /nfs/dbraw/zinc/53/29/44/1137532944.db2.gz QSNOQJLDWVWZGN-CIAFKFPVSA-N 1 3 341.543 3.646 20 0 EHADHO Fc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172066703 1137533568 /nfs/dbraw/zinc/53/35/68/1137533568.db2.gz MSSKOLDVVIQHDQ-OWZKRDHZSA-N 1 3 339.458 3.896 20 0 EHADHO COCCC[NH+]1CCC(NC2(c3cccc4ccccc43)CC2)CC1 ZINC001172250538 1137544991 /nfs/dbraw/zinc/54/49/91/1137544991.db2.gz RGRKLOGCIKUQRR-UHFFFAOYSA-N 1 3 338.495 3.919 20 0 EHADHO CC(C)OC[C@H](Cc1ccc(F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000872029780 1137566161 /nfs/dbraw/zinc/56/61/61/1137566161.db2.gz SFRCHYCRWAUXSG-FQEVSTJZSA-N 1 3 348.506 3.768 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000872154858 1137573960 /nfs/dbraw/zinc/57/39/60/1137573960.db2.gz CKBSZWXJVLIOHQ-QGZVFWFLSA-N 1 3 333.520 3.896 20 0 EHADHO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1C ZINC000873246880 1137595374 /nfs/dbraw/zinc/59/53/74/1137595374.db2.gz CQDYDTBGKKLLOR-KRWDZBQOSA-N 1 3 349.482 3.502 20 0 EHADHO C[C@H](N[C@H](c1cc2ccccc2o1)c1cccnc1)C1CC[NH2+]CC1 ZINC000873272504 1137595974 /nfs/dbraw/zinc/59/59/74/1137595974.db2.gz UIOMHSQKQRWTAM-BTYIYWSLSA-N 1 3 335.451 3.895 20 0 EHADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000873289489 1137596566 /nfs/dbraw/zinc/59/65/66/1137596566.db2.gz IMKDCJYGVJFGDX-OCCSQVGLSA-N 1 3 343.298 3.803 20 0 EHADHO Nc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000873289688 1137596716 /nfs/dbraw/zinc/59/67/16/1137596716.db2.gz WQBJVBOEEHAWBK-WKCHPHFGSA-N 1 3 339.458 3.693 20 0 EHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000125882654 1137649609 /nfs/dbraw/zinc/64/96/09/1137649609.db2.gz QRRAYNPGXURMOI-QAPCUYQASA-N 1 3 347.503 3.660 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc4c(ccnc4Cl)o3)CC2)CC1 ZINC000877684386 1137685731 /nfs/dbraw/zinc/68/57/31/1137685731.db2.gz SIYVMYMCECTBSS-UHFFFAOYSA-N 1 3 333.863 3.789 20 0 EHADHO C[NH+](C)CCC1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877989516 1137698522 /nfs/dbraw/zinc/69/85/22/1137698522.db2.gz WEKRSUYWAXUNSC-QGZVFWFLSA-N 1 3 345.314 3.691 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000879248608 1137742371 /nfs/dbraw/zinc/74/23/71/1137742371.db2.gz QWUAOUUAVBHLAG-UHFFFAOYSA-N 1 3 325.456 3.649 20 0 EHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000090936929 1138214090 /nfs/dbraw/zinc/21/40/90/1138214090.db2.gz NKJVIJLRBASFJO-AWEZNQCLSA-N 1 3 333.863 3.526 20 0 EHADHO COc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1OC(F)F ZINC000132121269 1138563203 /nfs/dbraw/zinc/56/32/03/1138563203.db2.gz OKGZCCNZXGPTNI-GFCCVEGCSA-N 1 3 330.419 3.535 20 0 EHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838686 1138605854 /nfs/dbraw/zinc/60/58/54/1138605854.db2.gz DBJFYCBOSOEZAB-QWHCGFSZSA-N 1 3 328.909 3.553 20 0 EHADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000177311883 1139612229 /nfs/dbraw/zinc/61/22/29/1139612229.db2.gz IQQXNVOLJUYKRH-LJQANCHMSA-N 1 3 331.504 3.506 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178547890 1139703610 /nfs/dbraw/zinc/70/36/10/1139703610.db2.gz RVJULXUZKDHKNR-SJORKVTESA-N 1 3 342.483 3.531 20 0 EHADHO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000178620196 1139707986 /nfs/dbraw/zinc/70/79/86/1139707986.db2.gz GFMVWYRJQYZISW-HNAYVOBHSA-N 1 3 343.540 3.975 20 0 EHADHO Cc1ccc2cc(CNCc3cccc(OCC[NH+](C)C)c3)ccc2n1 ZINC000189261431 1140331669 /nfs/dbraw/zinc/33/16/69/1140331669.db2.gz ZXXPHWJJHKVBCW-UHFFFAOYSA-N 1 3 349.478 3.773 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000193107381 1140564220 /nfs/dbraw/zinc/56/42/20/1140564220.db2.gz RGFWSNZJQOBYFC-CJNGLKHVSA-N 1 3 330.925 3.628 20 0 EHADHO COc1cc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1SC ZINC000268863484 1141010555 /nfs/dbraw/zinc/01/05/55/1141010555.db2.gz NDEYGLBMKVQEEQ-AWEZNQCLSA-N 1 3 334.529 3.942 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268923242 1141026679 /nfs/dbraw/zinc/02/66/79/1141026679.db2.gz PHOFZEFKFGXOOA-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268923242 1141026687 /nfs/dbraw/zinc/02/66/87/1141026687.db2.gz PHOFZEFKFGXOOA-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC000268933437 1141028399 /nfs/dbraw/zinc/02/83/99/1141028399.db2.gz NFTFBPJFMHRJKB-CBANROCLSA-N 1 3 341.543 3.644 20 0 EHADHO C[NH+](C)Cc1cc(CN[C@H]2CCc3c2c(F)ccc3F)ccc1F ZINC000269909784 1141156642 /nfs/dbraw/zinc/15/66/42/1141156642.db2.gz JDZFBHICXUGGGH-SFHVURJKSA-N 1 3 334.385 3.943 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc2ccccc2c1 ZINC000271436641 1141366788 /nfs/dbraw/zinc/36/67/88/1141366788.db2.gz BTXLNYUMGQYHTG-WQTXXOFMSA-N 1 3 338.495 3.868 20 0 EHADHO Cc1cc(C)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C ZINC000271528945 1141388851 /nfs/dbraw/zinc/38/88/51/1141388851.db2.gz QPTFKXAOEPMIOV-WMQCIHAUSA-N 1 3 330.516 3.640 20 0 EHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145314 1141645507 /nfs/dbraw/zinc/64/55/07/1141645507.db2.gz SDPHJOSWAVKNNY-YLJYHZDGSA-N 1 3 343.515 3.731 20 0 EHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145314 1141645510 /nfs/dbraw/zinc/64/55/10/1141645510.db2.gz SDPHJOSWAVKNNY-YLJYHZDGSA-N 1 3 343.515 3.731 20 0 EHADHO CN(CC1CC[NH+](C)CC1)c1nc(N2CCCC2)cc2ccccc21 ZINC001165042025 721937698 /nfs/dbraw/zinc/93/76/98/721937698.db2.gz BRLTVSMVFIFTLC-UHFFFAOYSA-N 1 3 338.499 3.613 20 0 EHADHO Fc1ccc(/C=C/CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904475389 1032070904 /nfs/dbraw/zinc/07/09/04/1032070904.db2.gz OLTPINOJFYMQMO-MPTWLCKMSA-N 1 3 338.426 3.684 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000579699585 1014229857 /nfs/dbraw/zinc/22/98/57/1014229857.db2.gz VZXPZRQTKBJPIN-BUXKBTBVSA-N 1 3 331.410 3.855 20 0 EHADHO Cc1ccc(CN(CCC[NH3+])Cc2ccccc2)c(-c2ccnn2C)c1 ZINC000339406959 1014367824 /nfs/dbraw/zinc/36/78/24/1014367824.db2.gz ILHVMPANUKQPIC-UHFFFAOYSA-N 1 3 348.494 3.747 20 0 EHADHO CCN([C@H]1CCOC1)C1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208665770 1015163730 /nfs/dbraw/zinc/16/37/30/1015163730.db2.gz GEWWRAAATHGVEA-NRFANRHFSA-N 1 3 344.543 3.930 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000154280018 1015336897 /nfs/dbraw/zinc/33/68/97/1015336897.db2.gz HJOZMEAAIPPQOG-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC001209453065 1016313313 /nfs/dbraw/zinc/31/33/13/1016313313.db2.gz FBLRGPFXLVQOQK-FQEVSTJZSA-N 1 3 344.499 3.876 20 0 EHADHO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CCCN2CCCCC2)cc1 ZINC001209453065 1016313322 /nfs/dbraw/zinc/31/33/22/1016313322.db2.gz FBLRGPFXLVQOQK-FQEVSTJZSA-N 1 3 344.499 3.876 20 0 EHADHO C[C@H]([NH3+])c1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000178229968 1016563449 /nfs/dbraw/zinc/56/34/49/1016563449.db2.gz XNNOYWWQUNLCMA-ZDUSSCGKSA-N 1 3 337.423 3.766 20 0 EHADHO Cc1nc2ccccn2c1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000311898892 1017060846 /nfs/dbraw/zinc/06/08/46/1017060846.db2.gz FMAGOCUJUFCMJR-QFIPXVFZSA-N 1 3 348.494 3.645 20 0 EHADHO CC(C)CCOCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449105200 1032183977 /nfs/dbraw/zinc/18/39/77/1032183977.db2.gz HNFZIWWCGQQZMU-LJQANCHMSA-N 1 3 332.532 3.734 20 0 EHADHO CC(C)CCOCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449105199 1032184474 /nfs/dbraw/zinc/18/44/74/1032184474.db2.gz HNFZIWWCGQQZMU-IBGZPJMESA-N 1 3 332.532 3.734 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840736 1032184520 /nfs/dbraw/zinc/18/45/20/1032184520.db2.gz IJGGRYJYHVWIST-JKSUJKDBSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840736 1032184530 /nfs/dbraw/zinc/18/45/30/1032184530.db2.gz IJGGRYJYHVWIST-JKSUJKDBSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840736 1032184539 /nfs/dbraw/zinc/18/45/39/1032184539.db2.gz IJGGRYJYHVWIST-JKSUJKDBSA-N 1 3 342.483 3.849 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2c(s1)CCCC2 ZINC000536844848 1032340719 /nfs/dbraw/zinc/34/07/19/1032340719.db2.gz JOSPFBZUMWESRC-WBAXXEDZSA-N 1 3 348.556 3.655 20 0 EHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000449232471 1032349978 /nfs/dbraw/zinc/34/99/78/1032349978.db2.gz HZKMJNNFUDKOQT-SJORKVTESA-N 1 3 341.474 3.967 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCSCC(F)(F)F)CC1 ZINC000536854713 1032380662 /nfs/dbraw/zinc/38/06/62/1032380662.db2.gz XCWSPTYXLPHORK-DZGCQCFKSA-N 1 3 338.483 3.915 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000459730607 1032434603 /nfs/dbraw/zinc/43/46/03/1032434603.db2.gz KUEUUDQXHHTDJI-MRXNPFEDSA-N 1 3 335.923 3.762 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000459730607 1032434611 /nfs/dbraw/zinc/43/46/11/1032434611.db2.gz KUEUUDQXHHTDJI-MRXNPFEDSA-N 1 3 335.923 3.762 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)c3ccccn3)CC2)C1 ZINC000449394573 1032502097 /nfs/dbraw/zinc/50/20/97/1032502097.db2.gz GQFJUKYQMMFLPZ-PKOBYXMFSA-N 1 3 329.532 3.992 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000153736757 1017154986 /nfs/dbraw/zinc/15/49/86/1017154986.db2.gz VJOZFWJCHLIGSK-UHFFFAOYSA-N 1 3 343.446 3.977 20 0 EHADHO C[C@H](CCC[NH3+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000415019650 1017405948 /nfs/dbraw/zinc/40/59/48/1017405948.db2.gz IGSVSQXOFJZBAL-GDBMZVCRSA-N 1 3 329.513 3.633 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415126720 1017590867 /nfs/dbraw/zinc/59/08/67/1017590867.db2.gz UZNXBJPRDXROCH-IPYPFGDCSA-N 1 3 325.294 3.500 20 0 EHADHO Oc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000683722548 1018171585 /nfs/dbraw/zinc/17/15/85/1018171585.db2.gz GZOPPDRZUFJYMH-IBGZPJMESA-N 1 3 328.500 3.636 20 0 EHADHO Cc1ccc(-c2ccccc2C[NH2+]CC2(O)CCN(C)CC2)c(C)c1 ZINC000893039010 1018240214 /nfs/dbraw/zinc/24/02/14/1018240214.db2.gz SKOZFGWHVXTVSB-UHFFFAOYSA-N 1 3 338.495 3.517 20 0 EHADHO CN(Cc1ccc(C2CCC2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683784171 1018545275 /nfs/dbraw/zinc/54/52/75/1018545275.db2.gz MHHDIMVVRMSIFQ-JOCHJYFZSA-N 1 3 341.543 3.554 20 0 EHADHO CN(Cc1ccc(C2CCC2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683784171 1018545283 /nfs/dbraw/zinc/54/52/83/1018545283.db2.gz MHHDIMVVRMSIFQ-JOCHJYFZSA-N 1 3 341.543 3.554 20 0 EHADHO c1c2ccccc2oc1[C@H](NCC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000580182213 1018750702 /nfs/dbraw/zinc/75/07/02/1018750702.db2.gz WQRRPTKUXXCSKO-IIBYNOLFSA-N 1 3 335.451 3.897 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398014171 1018950372 /nfs/dbraw/zinc/95/03/72/1018950372.db2.gz FJVFTCNDHTVAQQ-AVRDEDQJSA-N 1 3 333.479 3.867 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398014171 1018950387 /nfs/dbraw/zinc/95/03/87/1018950387.db2.gz FJVFTCNDHTVAQQ-AVRDEDQJSA-N 1 3 333.479 3.867 20 0 EHADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000501029980 1020650626 /nfs/dbraw/zinc/65/06/26/1020650626.db2.gz SPWGZUYFMGCQKE-UHFFFAOYSA-N 1 3 347.522 3.601 20 0 EHADHO C[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276164357 1020790126 /nfs/dbraw/zinc/79/01/26/1020790126.db2.gz HJOSCQJUCADLQH-RBSFLKMASA-N 1 3 328.460 3.732 20 0 EHADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507498154 1021295589 /nfs/dbraw/zinc/29/55/89/1021295589.db2.gz UNSXVJDQEFCUSN-CBPXPLCBSA-N 1 3 344.543 3.674 20 0 EHADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000426354084 1021360733 /nfs/dbraw/zinc/36/07/33/1021360733.db2.gz YCUGTEYUSANASB-HSALFYBXSA-N 1 3 330.516 3.549 20 0 EHADHO c1nc(-c2ccccc2)sc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518770605 1021541182 /nfs/dbraw/zinc/54/11/82/1021541182.db2.gz WIJJARWADLQHBH-QGZVFWFLSA-N 1 3 327.497 3.632 20 0 EHADHO C[NH2+]C[C@H]1CCCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430648883 1021613734 /nfs/dbraw/zinc/61/37/34/1021613734.db2.gz RITIPSSOPYDKGU-OAHLLOKOSA-N 1 3 344.421 3.796 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccc(CO)cc3)cc2)C1 ZINC000638363922 1021693902 /nfs/dbraw/zinc/69/39/02/1021693902.db2.gz STTAQHWFYUWYLE-GOSISDBHSA-N 1 3 338.495 3.701 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(CO)cc3)cc2)C1 ZINC000638363922 1021693910 /nfs/dbraw/zinc/69/39/10/1021693910.db2.gz STTAQHWFYUWYLE-GOSISDBHSA-N 1 3 338.495 3.701 20 0 EHADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@@H](C)CC[NH3+] ZINC000414902390 1021752398 /nfs/dbraw/zinc/75/23/98/1021752398.db2.gz YDTOPRFIZRTUMK-KRWDZBQOSA-N 1 3 334.467 3.675 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000060816747 1033004308 /nfs/dbraw/zinc/00/43/08/1033004308.db2.gz MKHXUWJCIPLQEE-UHFFFAOYSA-N 1 3 326.484 3.943 20 0 EHADHO CC[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368388 1021868399 /nfs/dbraw/zinc/86/83/99/1021868399.db2.gz MSUZAHPWLSELFV-DBXWQHBBSA-N 1 3 330.516 3.959 20 0 EHADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167969492 1022333194 /nfs/dbraw/zinc/33/31/94/1022333194.db2.gz DEQROFNBTGMYAB-FAXKSRBJSA-N 1 3 328.500 3.708 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C3CCC3)cc2)C[C@H](C)O1 ZINC000559251588 1022364287 /nfs/dbraw/zinc/36/42/87/1022364287.db2.gz XTMRZPJDENOWFP-ROUUACIJSA-N 1 3 330.516 3.933 20 0 EHADHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000131774364 1022619288 /nfs/dbraw/zinc/61/92/88/1022619288.db2.gz BSMKAWKPLDOQJX-CTXDPNEZSA-N 1 3 338.499 3.594 20 0 EHADHO CC1(C)CN(Cc2cnc[nH]2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836016 1022687621 /nfs/dbraw/zinc/68/76/21/1022687621.db2.gz IIMOLSDKZAONGT-FQEVSTJZSA-N 1 3 338.499 3.532 20 0 EHADHO C[C@H]1C[C@@H](N(C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833602 1022748127 /nfs/dbraw/zinc/74/81/27/1022748127.db2.gz RBDRXMJNZRYMGW-HKUYNNGSSA-N 1 3 346.515 3.703 20 0 EHADHO C[C@H]1C[C@@H](N(C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833602 1022748129 /nfs/dbraw/zinc/74/81/29/1022748129.db2.gz RBDRXMJNZRYMGW-HKUYNNGSSA-N 1 3 346.515 3.703 20 0 EHADHO CCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341639358 1022748595 /nfs/dbraw/zinc/74/85/95/1022748595.db2.gz OWROAHPUOSIGSI-SJORKVTESA-N 1 3 344.421 3.593 20 0 EHADHO C[C@@H]1CN(CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430956675 1022956971 /nfs/dbraw/zinc/95/69/71/1022956971.db2.gz PNYVVYFEVCIYEX-HIFRSBDPSA-N 1 3 330.394 3.534 20 0 EHADHO C[C@@H]1CC2(CC([NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)CO1 ZINC000897773120 1033159635 /nfs/dbraw/zinc/15/96/35/1033159635.db2.gz GOWHRVMHVTWCFN-ABZBVTFPSA-N 1 3 340.511 3.587 20 0 EHADHO CCn1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000892007407 1024327876 /nfs/dbraw/zinc/32/78/76/1024327876.db2.gz IFAZWUJGSGWYQL-UWJYYQICSA-N 1 3 340.515 3.696 20 0 EHADHO CCn1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000892007407 1024327882 /nfs/dbraw/zinc/32/78/82/1024327882.db2.gz IFAZWUJGSGWYQL-UWJYYQICSA-N 1 3 340.515 3.696 20 0 EHADHO C[C@@H]1CC(N2CC[C@@H]3CCCO[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048199 1024351841 /nfs/dbraw/zinc/35/18/41/1024351841.db2.gz UMEBHYDLFZKOEE-VFSLUADLSA-N 1 3 342.527 3.929 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414861264 1024519805 /nfs/dbraw/zinc/51/98/05/1024519805.db2.gz WIWDWIICJYQBDW-BRWVUGGUSA-N 1 3 331.504 3.505 20 0 EHADHO Clc1ccc(OCC2CC2)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262146328 1024681875 /nfs/dbraw/zinc/68/18/75/1024681875.db2.gz ZNWKHPVDWLUHDI-UHFFFAOYSA-N 1 3 334.891 3.704 20 0 EHADHO CCN(Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435384381 1024867994 /nfs/dbraw/zinc/86/79/94/1024867994.db2.gz MMPQCSNFCQZKTF-HNNXBMFYSA-N 1 3 330.394 3.592 20 0 EHADHO C[NH2+]CC1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000435395832 1024882490 /nfs/dbraw/zinc/88/24/90/1024882490.db2.gz VDUHNWUGHRAKED-UHFFFAOYSA-N 1 3 341.480 3.988 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H](CO)CC2CCCC2)CC1 ZINC000467432011 1024936674 /nfs/dbraw/zinc/93/66/74/1024936674.db2.gz HNZMKWAVDGXASF-SLYNCCJLSA-N 1 3 336.564 3.808 20 0 EHADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCc2ccco2)cc1 ZINC000665254998 1024965171 /nfs/dbraw/zinc/96/51/71/1024965171.db2.gz GCHQPYXWOJDMGL-CZAAIQMYSA-N 1 3 342.483 3.735 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168012410 1025108651 /nfs/dbraw/zinc/10/86/51/1025108651.db2.gz ZPSFODKVDPDAHH-QYZOEREBSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@@H]1C[C@@H](NCCOC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012546 1025122275 /nfs/dbraw/zinc/12/22/75/1025122275.db2.gz BWVIFFPMGKAPON-MIFYACCESA-N 1 3 330.394 3.554 20 0 EHADHO C[C@@H]1C[C@@H](NCCOC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012546 1025122281 /nfs/dbraw/zinc/12/22/81/1025122281.db2.gz BWVIFFPMGKAPON-MIFYACCESA-N 1 3 330.394 3.554 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280417 1025286296 /nfs/dbraw/zinc/28/62/96/1025286296.db2.gz AMBRJVUAKVJVLE-CRAIPNDOSA-N 1 3 334.508 3.584 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709802 1025436681 /nfs/dbraw/zinc/43/66/81/1025436681.db2.gz BCXZALKIUZPMSB-BRWVUGGUSA-N 1 3 325.500 3.593 20 0 EHADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OCC(C)C ZINC000347053156 1025449397 /nfs/dbraw/zinc/44/93/97/1025449397.db2.gz RZDUHTVJAZMYDW-LJQANCHMSA-N 1 3 346.515 3.694 20 0 EHADHO CC[NH2+]CC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000347073692 1025467811 /nfs/dbraw/zinc/46/78/11/1025467811.db2.gz RZAMQOIQQLHQAZ-UHFFFAOYSA-N 1 3 348.384 3.588 20 0 EHADHO CC(C)Sc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442872403 1025544835 /nfs/dbraw/zinc/54/48/35/1025544835.db2.gz NISDYSBPNUMONJ-KRWDZBQOSA-N 1 3 349.588 3.864 20 0 EHADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000442873304 1025545088 /nfs/dbraw/zinc/54/50/88/1025545088.db2.gz KSZFEFCRYGQNOM-NRFANRHFSA-N 1 3 343.559 3.803 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000442874333 1025546310 /nfs/dbraw/zinc/54/63/10/1025546310.db2.gz MSYVZSBDLJYVJY-AWEZNQCLSA-N 1 3 349.906 3.763 20 0 EHADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000379277100 1026347039 /nfs/dbraw/zinc/34/70/39/1026347039.db2.gz PCWIGQKWYDFMNW-BVYCBKJFSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277100 1026347045 /nfs/dbraw/zinc/34/70/45/1026347045.db2.gz PCWIGQKWYDFMNW-BVYCBKJFSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277100 1026347057 /nfs/dbraw/zinc/34/70/57/1026347057.db2.gz PCWIGQKWYDFMNW-BVYCBKJFSA-N 1 3 338.495 3.874 20 0 EHADHO Clc1ccc(-c2nc(CNCC[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000563422124 1026839889 /nfs/dbraw/zinc/83/98/89/1026839889.db2.gz PBEMZUGCWSQGCB-CYBMUJFWSA-N 1 3 335.904 3.943 20 0 EHADHO Cc1cccc([C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272845552 1027143000 /nfs/dbraw/zinc/14/30/00/1027143000.db2.gz SAJWWOAHHIMPDM-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272845552 1027143009 /nfs/dbraw/zinc/14/30/09/1027143009.db2.gz SAJWWOAHHIMPDM-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845552 1027143020 /nfs/dbraw/zinc/14/30/20/1027143020.db2.gz SAJWWOAHHIMPDM-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562855 1027306276 /nfs/dbraw/zinc/30/62/76/1027306276.db2.gz JIUFNMOIMKLHQJ-WOJBJXKFSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613490 1027631493 /nfs/dbraw/zinc/63/14/93/1027631493.db2.gz LJIOOPOXNNMIBV-QGZVFWFLSA-N 1 3 341.474 3.654 20 0 EHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000909601950 1027745330 /nfs/dbraw/zinc/74/53/30/1027745330.db2.gz SFIQTVZQVBRFBT-HXUWFJFHSA-N 1 3 343.515 3.792 20 0 EHADHO CN(Cc1cccc(F)c1OCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000628163582 1027814859 /nfs/dbraw/zinc/81/48/59/1027814859.db2.gz JAAXDZWWGSLDCY-UHFFFAOYSA-N 1 3 348.384 3.540 20 0 EHADHO COc1ccc(CN[C@@H](C)c2c[nH+]ccc2N)cc1OC1CCCC1 ZINC000422710403 1027867922 /nfs/dbraw/zinc/86/79/22/1027867922.db2.gz LEAAHGDZUVUTDY-AWEZNQCLSA-N 1 3 341.455 3.675 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000120023637 1027884714 /nfs/dbraw/zinc/88/47/14/1027884714.db2.gz GGYHXUILKAWUEM-INIZCTEOSA-N 1 3 345.531 3.919 20 0 EHADHO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCC(C)CC1)c1cnccc1N ZINC000422749073 1027915226 /nfs/dbraw/zinc/91/52/26/1027915226.db2.gz XKGXTBKEQSFLNM-CRAIPNDOSA-N 1 3 344.528 3.679 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc(C(C)(C)C)cs1 ZINC000422747921 1027915875 /nfs/dbraw/zinc/91/58/75/1027915875.db2.gz ZWESPIBHXRJBOZ-HOCLYGCPSA-N 1 3 331.529 3.531 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(Br)cc1 ZINC000422751979 1027918431 /nfs/dbraw/zinc/91/84/31/1027918431.db2.gz CCGLJVDQLYLJRC-GFCCVEGCSA-N 1 3 348.288 3.505 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775375 1027930162 /nfs/dbraw/zinc/93/01/62/1027930162.db2.gz BJBGQGXFEQNDHE-GJZGRUSLSA-N 1 3 327.472 3.529 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422808127 1027957231 /nfs/dbraw/zinc/95/72/31/1027957231.db2.gz AKGBLSVZBXKERN-BDJLRTHQSA-N 1 3 325.294 3.544 20 0 EHADHO CC[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422813943 1027962123 /nfs/dbraw/zinc/96/21/23/1027962123.db2.gz ZGKLKOFVHCOGNL-QIJUGHKUSA-N 1 3 335.495 3.558 20 0 EHADHO CC(C)COc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422882703 1028017102 /nfs/dbraw/zinc/01/71/02/1028017102.db2.gz SSPQOBPYGNGWJM-DFNIBXOVSA-N 1 3 330.516 3.872 20 0 EHADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422910578 1028041916 /nfs/dbraw/zinc/04/19/16/1028041916.db2.gz IPIARURRBNJIFO-UHYGZKCKSA-N 1 3 347.890 3.929 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOc1cccc2cccnc21 ZINC000422956862 1028094531 /nfs/dbraw/zinc/09/45/31/1028094531.db2.gz RCDVWBXGSVGKDQ-PXNSSMCTSA-N 1 3 349.478 3.552 20 0 EHADHO CCCOc1cccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422994189 1028099450 /nfs/dbraw/zinc/09/94/50/1028099450.db2.gz UULYOKLHJZZKMC-OAHLLOKOSA-N 1 3 327.472 3.531 20 0 EHADHO CC(C)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])Nc1ccccc1 ZINC000422975882 1028104918 /nfs/dbraw/zinc/10/49/18/1028104918.db2.gz HQOFPVRMMPSHNK-QMMLZNLJSA-N 1 3 325.500 3.671 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(c2ccccc2Cl)CC1 ZINC000423015945 1028126507 /nfs/dbraw/zinc/12/65/07/1028126507.db2.gz AQMBLBAQVFBVFW-DNVCBOLYSA-N 1 3 328.887 3.920 20 0 EHADHO CC(C)N1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423040874 1028146318 /nfs/dbraw/zinc/14/63/18/1028146318.db2.gz IFBFFVJGZCYMDU-RPLLJCPNSA-N 1 3 341.902 3.718 20 0 EHADHO Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000423045930 1028151651 /nfs/dbraw/zinc/15/16/51/1028151651.db2.gz CXSKXAGKEYROPC-CABCVRRESA-N 1 3 329.513 3.989 20 0 EHADHO C[C@H](NCC(C)(C)c1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000423127936 1028193732 /nfs/dbraw/zinc/19/37/32/1028193732.db2.gz CMRYZSAIHWXKJR-JTQLQIEISA-N 1 3 345.712 3.578 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104312 1028196032 /nfs/dbraw/zinc/19/60/32/1028196032.db2.gz YGGGFYGOUDMWEI-JMLZYGAQSA-N 1 3 330.422 3.759 20 0 EHADHO Cc1cc([C@H](C)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000502421335 1028208025 /nfs/dbraw/zinc/20/80/25/1028208025.db2.gz XVEVZQMDZJHGBB-CMKODMSKSA-N 1 3 340.515 3.680 20 0 EHADHO Cc1cc([C@H](C)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421335 1028208047 /nfs/dbraw/zinc/20/80/47/1028208047.db2.gz XVEVZQMDZJHGBB-CMKODMSKSA-N 1 3 340.515 3.680 20 0 EHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cc(C(F)(F)F)ccn1 ZINC000423137439 1028223400 /nfs/dbraw/zinc/22/34/00/1028223400.db2.gz QWHFBSZIQMMSRN-ZFWWWQNUSA-N 1 3 329.410 3.543 20 0 EHADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141836 1028227304 /nfs/dbraw/zinc/22/73/04/1028227304.db2.gz RZECWDZNODMJPB-OTRWWLKZSA-N 1 3 337.305 3.802 20 0 EHADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423307812 1028343675 /nfs/dbraw/zinc/34/36/75/1028343675.db2.gz NUQMNWOBYYGWKG-BDAKNGLRSA-N 1 3 339.199 3.713 20 0 EHADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OC)c(OC)c1 ZINC000423353156 1028380932 /nfs/dbraw/zinc/38/09/32/1028380932.db2.gz CQIMGFGUSQLIRO-SFHVURJKSA-N 1 3 326.440 3.548 20 0 EHADHO Brc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423399151 1028410906 /nfs/dbraw/zinc/41/09/06/1028410906.db2.gz UQTSNGQVPZXCGZ-SFHVURJKSA-N 1 3 343.268 3.829 20 0 EHADHO COC[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1F ZINC000423415517 1028426779 /nfs/dbraw/zinc/42/67/79/1028426779.db2.gz ARKAWKAHBOBNTJ-XEZPLFJOSA-N 1 3 328.859 3.521 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCSCC1 ZINC000423479326 1028462525 /nfs/dbraw/zinc/46/25/25/1028462525.db2.gz VCMSQCRUQICMGG-UCLAIMLFSA-N 1 3 336.520 3.640 20 0 EHADHO COCCc1nc(C)c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423496194 1028483007 /nfs/dbraw/zinc/48/30/07/1028483007.db2.gz DOUKVVHSROLIII-YOEHRIQHSA-N 1 3 347.528 3.771 20 0 EHADHO CC(=O)Nc1cccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423510070 1028486954 /nfs/dbraw/zinc/48/69/54/1028486954.db2.gz RYZBMVWJDKOAQR-MGPUTAFESA-N 1 3 325.456 3.776 20 0 EHADHO Cc1cc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)oc1C ZINC000423571269 1028520949 /nfs/dbraw/zinc/52/09/49/1028520949.db2.gz NMHONXDUQDAVPV-QGZVFWFLSA-N 1 3 341.499 3.541 20 0 EHADHO Cc1cccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000237236198 1028567666 /nfs/dbraw/zinc/56/76/66/1028567666.db2.gz VGAOOVYTDIXNHP-UHFFFAOYSA-N 1 3 343.902 3.690 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000236938506 1028604109 /nfs/dbraw/zinc/60/41/09/1028604109.db2.gz GNKBXZJJDLJVDU-QGZVFWFLSA-N 1 3 348.462 3.841 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2n1 ZINC000246833317 1028699259 /nfs/dbraw/zinc/69/92/59/1028699259.db2.gz AOZZMJLYHSUHKC-KZNAEPCWSA-N 1 3 341.499 3.775 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414776377 1028827627 /nfs/dbraw/zinc/82/76/27/1028827627.db2.gz HFJNDUJUKDBWRY-CHWSQXEVSA-N 1 3 343.334 3.641 20 0 EHADHO Cc1csc([C@H]2CCCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277318 1028951021 /nfs/dbraw/zinc/95/10/21/1028951021.db2.gz BYNPEIAFUIXEQW-JKSUJKDBSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@H]2CCC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277318 1028951034 /nfs/dbraw/zinc/95/10/34/1028951034.db2.gz BYNPEIAFUIXEQW-JKSUJKDBSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277318 1028951046 /nfs/dbraw/zinc/95/10/46/1028951046.db2.gz BYNPEIAFUIXEQW-JKSUJKDBSA-N 1 3 333.476 3.513 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245652554 1028975114 /nfs/dbraw/zinc/97/51/14/1028975114.db2.gz CWBMFXOCBOUGNR-REPLKXPHSA-N 1 3 344.499 3.503 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652554 1028975129 /nfs/dbraw/zinc/97/51/29/1028975129.db2.gz CWBMFXOCBOUGNR-REPLKXPHSA-N 1 3 344.499 3.503 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000124006476 1029095947 /nfs/dbraw/zinc/09/59/47/1029095947.db2.gz KHNYRJQVRFMGTI-QGZVFWFLSA-N 1 3 349.482 3.570 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000124006476 1029095967 /nfs/dbraw/zinc/09/59/67/1029095967.db2.gz KHNYRJQVRFMGTI-QGZVFWFLSA-N 1 3 349.482 3.570 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728498 1029173184 /nfs/dbraw/zinc/17/31/84/1029173184.db2.gz VRTFRJTXIUVSCG-HZPDHXFCSA-N 1 3 333.545 3.686 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728498 1029173195 /nfs/dbraw/zinc/17/31/95/1029173195.db2.gz VRTFRJTXIUVSCG-HZPDHXFCSA-N 1 3 333.545 3.686 20 0 EHADHO Cc1ccc2ncc(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000272149896 1029333209 /nfs/dbraw/zinc/33/32/09/1029333209.db2.gz DEPJNHFBMCBGRH-AZUAARDMSA-N 1 3 348.494 3.643 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125820643 1029614530 /nfs/dbraw/zinc/61/45/30/1029614530.db2.gz UDGULMFSYHCEHA-FUHWJXTLSA-N 1 3 334.504 3.865 20 0 EHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000162902404 1029667986 /nfs/dbraw/zinc/66/79/86/1029667986.db2.gz ZMAHYKNXCIKEOD-INIZCTEOSA-N 1 3 338.451 3.862 20 0 EHADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccco1 ZINC000156082945 1029743553 /nfs/dbraw/zinc/74/35/53/1029743553.db2.gz IBPPMLXYDCFTCI-GOSISDBHSA-N 1 3 327.472 3.533 20 0 EHADHO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(F)F ZINC000453332510 1030067110 /nfs/dbraw/zinc/06/71/10/1030067110.db2.gz AVVKSWAXFFQPIT-PRTUASRFSA-N 1 3 340.414 3.572 20 0 EHADHO c1sc(CNCC2CC[NH+](C3CC3)CC2)nc1-c1ccccc1 ZINC000278310082 1030098301 /nfs/dbraw/zinc/09/83/01/1030098301.db2.gz DYSHZOCJSAKTTN-UHFFFAOYSA-N 1 3 327.497 3.774 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000453378122 1030199862 /nfs/dbraw/zinc/19/98/62/1030199862.db2.gz VMLPREFIRFEEDN-IAGOWNOFSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453378122 1030199871 /nfs/dbraw/zinc/19/98/71/1030199871.db2.gz VMLPREFIRFEEDN-IAGOWNOFSA-N 1 3 334.454 3.846 20 0 EHADHO Cc1ccc(Br)cc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000525883117 1030203110 /nfs/dbraw/zinc/20/31/10/1030203110.db2.gz GBHYWYLNXSOAPM-UHFFFAOYSA-N 1 3 337.305 3.722 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447538849 1030273289 /nfs/dbraw/zinc/27/32/89/1030273289.db2.gz DPRQFVXDQYBKSX-LEWJYISDSA-N 1 3 330.516 3.962 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000532186753 1030463731 /nfs/dbraw/zinc/46/37/31/1030463731.db2.gz IMEQACSRNWYURT-HNNXBMFYSA-N 1 3 331.504 3.611 20 0 EHADHO CC[C@H](OCC[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000650742365 1030478107 /nfs/dbraw/zinc/47/81/07/1030478107.db2.gz WNZZJZNPCDMRMO-QRWLVFNGSA-N 1 3 327.472 3.667 20 0 EHADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226271 1030493277 /nfs/dbraw/zinc/49/32/77/1030493277.db2.gz SFHIIMRPVIWQFZ-UONOGXRCSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226271 1030493285 /nfs/dbraw/zinc/49/32/85/1030493285.db2.gz SFHIIMRPVIWQFZ-UONOGXRCSA-N 1 3 330.394 3.620 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000532246489 1030497527 /nfs/dbraw/zinc/49/75/27/1030497527.db2.gz NOGOROSUIRDNBY-FXAWDEMLSA-N 1 3 340.515 3.816 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccccc3OC(F)(F)F)C2)CC1 ZINC000561976214 1030584241 /nfs/dbraw/zinc/58/42/41/1030584241.db2.gz WZFWQVXOWXJPBF-HNNXBMFYSA-N 1 3 342.405 3.749 20 0 EHADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475694807 1030589853 /nfs/dbraw/zinc/58/98/53/1030589853.db2.gz PLZMYISQXVRRCJ-CQSZACIVSA-N 1 3 330.394 3.894 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000482629349 1030594695 /nfs/dbraw/zinc/59/46/95/1030594695.db2.gz MMYCLLPLEPVUQS-SYYKKAFVSA-N 1 3 341.543 3.504 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093688562 1030661038 /nfs/dbraw/zinc/66/10/38/1030661038.db2.gz IJKLRIPAGKVQAP-UHFFFAOYSA-N 1 3 344.478 3.770 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168094860 1030984104 /nfs/dbraw/zinc/98/41/04/1030984104.db2.gz XNLLVFNHCSIOIV-BEFAXECRSA-N 1 3 336.907 3.709 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)ncn2C ZINC000903206784 1031286843 /nfs/dbraw/zinc/28/68/43/1031286843.db2.gz MHRWJILCJCIZQD-FXAWDEMLSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)ncn2C ZINC000903206784 1031286858 /nfs/dbraw/zinc/28/68/58/1031286858.db2.gz MHRWJILCJCIZQD-FXAWDEMLSA-N 1 3 348.494 3.574 20 0 EHADHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000163267719 1031365125 /nfs/dbraw/zinc/36/51/25/1031365125.db2.gz NBRZMTHXYYIIDJ-NQIIRXRSSA-N 1 3 329.532 3.502 20 0 EHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133050209 1031499808 /nfs/dbraw/zinc/49/98/08/1031499808.db2.gz RKCIKFWRHCWXIA-ROUUACIJSA-N 1 3 346.515 3.625 20 0 EHADHO Cc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000527989306 1031549504 /nfs/dbraw/zinc/54/95/04/1031549504.db2.gz XGEYSBDSJKZDGG-VSKRKVRLSA-N 1 3 335.495 3.923 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000484491142 1031614846 /nfs/dbraw/zinc/61/48/46/1031614846.db2.gz RHESYJXHVZDALA-ZMSDIMECSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(Br)c1 ZINC001168357933 1031882308 /nfs/dbraw/zinc/88/23/08/1031882308.db2.gz MFJVJTKUXRDHJA-CYBMUJFWSA-N 1 3 337.305 3.974 20 0 EHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459392466 1032051395 /nfs/dbraw/zinc/05/13/95/1032051395.db2.gz UIFUITPVCDKXKE-VBSBHUPXSA-N 1 3 348.556 3.646 20 0 EHADHO C[NH+](C)CC1CCN(Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449010193 1032052091 /nfs/dbraw/zinc/05/20/91/1032052091.db2.gz KYASWDVPKFFZLU-UHFFFAOYSA-N 1 3 343.540 3.702 20 0 EHADHO CN(C)[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621628 1033743629 /nfs/dbraw/zinc/74/36/29/1033743629.db2.gz MNCQOCZXMKAITA-FDFHNCONSA-N 1 3 343.559 3.922 20 0 EHADHO CCc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000658165731 1034028644 /nfs/dbraw/zinc/02/86/44/1034028644.db2.gz LBCFGOLNLUZRBH-INIZCTEOSA-N 1 3 327.472 3.800 20 0 EHADHO C[NH+](C)C1CCC(n2c3ccccc3nc2[C@@H]2CCCCN2)CC1 ZINC001168326588 1034153254 /nfs/dbraw/zinc/15/32/54/1034153254.db2.gz BXWNDKMJBXDHGW-HTWSVDAQSA-N 1 3 326.488 3.896 20 0 EHADHO COc1nc2ccccc2cc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000534347841 1034422566 /nfs/dbraw/zinc/42/25/66/1034422566.db2.gz ZJACDPKHVHFSNY-UHFFFAOYSA-N 1 3 341.499 3.796 20 0 EHADHO COc1nc2ccccc2cc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347841 1034422573 /nfs/dbraw/zinc/42/25/73/1034422573.db2.gz ZJACDPKHVHFSNY-UHFFFAOYSA-N 1 3 341.499 3.796 20 0 EHADHO Cc1ccc(CNCC(C)(C)C[NH+]2CCCC2)c(-c2cnn(C)c2)c1 ZINC000548984564 1035387034 /nfs/dbraw/zinc/38/70/34/1035387034.db2.gz RXVVMMGDKDBUHM-UHFFFAOYSA-N 1 3 340.515 3.607 20 0 EHADHO CC[N@@H+]1CC[C@H](NCCOCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000540660570 1035549973 /nfs/dbraw/zinc/54/99/73/1035549973.db2.gz OPTMZWCIHXUHFA-GUYCJALGSA-N 1 3 345.314 3.830 20 0 EHADHO CC[N@H+]1CC[C@H](NCCOCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000540660570 1035549992 /nfs/dbraw/zinc/54/99/92/1035549992.db2.gz OPTMZWCIHXUHFA-GUYCJALGSA-N 1 3 345.314 3.830 20 0 EHADHO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000540976172 1035862231 /nfs/dbraw/zinc/86/22/31/1035862231.db2.gz JIWKBWBAGBNZCR-HSALFYBXSA-N 1 3 330.516 3.692 20 0 EHADHO C[C@H](c1ccc(F)cc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710162 1035980359 /nfs/dbraw/zinc/98/03/59/1035980359.db2.gz HSYYEYHWEHMUJR-IXDOHACOSA-N 1 3 334.479 3.708 20 0 EHADHO C[C@H](c1ccc(F)cc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710162 1035980375 /nfs/dbraw/zinc/98/03/75/1035980375.db2.gz HSYYEYHWEHMUJR-IXDOHACOSA-N 1 3 334.479 3.708 20 0 EHADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414209215 1036062072 /nfs/dbraw/zinc/06/20/72/1036062072.db2.gz KIYDWQZWBNDVCZ-ZWNOBZJWSA-N 1 3 331.685 3.532 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@H](C)C1 ZINC000414233052 1036198603 /nfs/dbraw/zinc/19/86/03/1036198603.db2.gz QWHHMAZTERQJMN-YLJYHZDGSA-N 1 3 347.547 3.606 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@H](CNc3ccnc4ccccc43)C2)cc1 ZINC000386233274 1036811326 /nfs/dbraw/zinc/81/13/26/1036811326.db2.gz AQXVFNZKDYVSHJ-LJQANCHMSA-N 1 3 331.463 3.981 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@H](CNc3ccnc4ccccc43)C2)cc1 ZINC000386233274 1036811348 /nfs/dbraw/zinc/81/13/48/1036811348.db2.gz AQXVFNZKDYVSHJ-LJQANCHMSA-N 1 3 331.463 3.981 20 0 EHADHO FC(F)(F)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543873 1037098278 /nfs/dbraw/zinc/09/82/78/1037098278.db2.gz TVHWMRPXTCZQDD-CHWSQXEVSA-N 1 3 332.435 3.979 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](CCSc3ccccc3)CC2)C[C@H](C)O1 ZINC000303534211 1037527208 /nfs/dbraw/zinc/52/72/08/1037527208.db2.gz IDCIOFCASVDKFG-HDICACEKSA-N 1 3 348.556 3.600 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000377330466 1037563297 /nfs/dbraw/zinc/56/32/97/1037563297.db2.gz NLELRHCYVNGTBH-YHELAOLJSA-N 1 3 330.516 3.834 20 0 EHADHO C[C@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)CN(C)C ZINC000491596018 1037579402 /nfs/dbraw/zinc/57/94/02/1037579402.db2.gz GSEOKDQRBFTKJT-MRXNPFEDSA-N 1 3 330.447 3.692 20 0 EHADHO CO[C@@H](c1ccccc1)[C@@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000493892575 1037712535 /nfs/dbraw/zinc/71/25/35/1037712535.db2.gz XESSDQZWSJAPMB-WIYYLYMNSA-N 1 3 326.484 3.874 20 0 EHADHO CO[C@@H](c1ccccc1)[C@@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000493892575 1037712547 /nfs/dbraw/zinc/71/25/47/1037712547.db2.gz XESSDQZWSJAPMB-WIYYLYMNSA-N 1 3 326.484 3.874 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000540262721 1037753145 /nfs/dbraw/zinc/75/31/45/1037753145.db2.gz GYPJQUSUCGIXEC-IBGZPJMESA-N 1 3 337.939 3.654 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCCCC2)CCN1Cc1ccccc1 ZINC000463143425 1037790950 /nfs/dbraw/zinc/79/09/50/1037790950.db2.gz SIGDQCHZOBRINM-FPOVZHCZSA-N 1 3 343.559 3.894 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccccn2)ccc1OC ZINC000182188163 1038556681 /nfs/dbraw/zinc/55/66/81/1038556681.db2.gz GCNPCDQQIBOPDU-KRWDZBQOSA-N 1 3 341.499 3.825 20 0 EHADHO COc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1C ZINC000194288793 1038562514 /nfs/dbraw/zinc/56/25/14/1038562514.db2.gz SGCHDSYTPHQIPD-NRFANRHFSA-N 1 3 338.495 3.658 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N(CC)CC ZINC000461885553 1038649606 /nfs/dbraw/zinc/64/96/06/1038649606.db2.gz VQPLJVUWMLOLCI-HXUWFJFHSA-N 1 3 345.531 3.977 20 0 EHADHO c1csc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522516 1039197137 /nfs/dbraw/zinc/19/71/37/1039197137.db2.gz PUABYIQWWYRLNO-SQNIBIBYSA-N 1 3 327.497 3.533 20 0 EHADHO c1csc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522516 1039197146 /nfs/dbraw/zinc/19/71/46/1039197146.db2.gz PUABYIQWWYRLNO-SQNIBIBYSA-N 1 3 327.497 3.533 20 0 EHADHO COc1cccc(SCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113674 1039198699 /nfs/dbraw/zinc/19/86/99/1039198699.db2.gz COCVVIASBRGNLQ-JXFKEZNVSA-N 1 3 346.540 3.736 20 0 EHADHO COc1cccc(SCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113674 1039198703 /nfs/dbraw/zinc/19/87/03/1039198703.db2.gz COCVVIASBRGNLQ-JXFKEZNVSA-N 1 3 346.540 3.736 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155910658 1039358575 /nfs/dbraw/zinc/35/85/75/1039358575.db2.gz XKXYZSIZOPQVTB-KBRIMQKVSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155910658 1039358588 /nfs/dbraw/zinc/35/85/88/1039358588.db2.gz XKXYZSIZOPQVTB-KBRIMQKVSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000480614709 1039758400 /nfs/dbraw/zinc/75/84/00/1039758400.db2.gz ODJHKBPFYAOGCG-XAPVIXHLSA-N 1 3 343.559 3.607 20 0 EHADHO Cc1cc(Cl)cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000549778789 1039845928 /nfs/dbraw/zinc/84/59/28/1039845928.db2.gz HPYNMAWYMKZQMK-MOPGFXCFSA-N 1 3 336.907 3.506 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512614582 1040275196 /nfs/dbraw/zinc/27/51/96/1040275196.db2.gz WMQSQOATJHCDHG-IXDOHACOSA-N 1 3 326.406 3.829 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512614582 1040275215 /nfs/dbraw/zinc/27/52/15/1040275215.db2.gz WMQSQOATJHCDHG-IXDOHACOSA-N 1 3 326.406 3.829 20 0 EHADHO COCc1cc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)ccc1OC ZINC000119862770 1040277578 /nfs/dbraw/zinc/27/75/78/1040277578.db2.gz PAYHXEKSJDPPSG-OAHLLOKOSA-N 1 3 334.504 3.755 20 0 EHADHO OC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000512622320 1040288968 /nfs/dbraw/zinc/28/89/68/1040288968.db2.gz ANPNCNOKHBYWPC-PWRODBHTSA-N 1 3 342.527 3.572 20 0 EHADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512649930 1040395380 /nfs/dbraw/zinc/39/53/80/1040395380.db2.gz VPSYSIBHWDSMAQ-NJDAHSKKSA-N 1 3 330.516 3.692 20 0 EHADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667867035 1040716577 /nfs/dbraw/zinc/71/65/77/1040716577.db2.gz QGMSQLXRLQMIBT-NHCUHLMSSA-N 1 3 328.500 3.720 20 0 EHADHO CSC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000433098600 1040738397 /nfs/dbraw/zinc/73/83/97/1040738397.db2.gz WCINQQXKBYKLQE-GBESFXJTSA-N 1 3 330.541 3.772 20 0 EHADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925675983 1040979917 /nfs/dbraw/zinc/97/99/17/1040979917.db2.gz KPRIQOWUMTZXKK-BLYMFVFMSA-N 1 3 349.316 3.814 20 0 EHADHO Brc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157586732 1041277884 /nfs/dbraw/zinc/27/78/84/1041277884.db2.gz RVKOFRREORUIMA-XYQBIQKZSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157586732 1041277899 /nfs/dbraw/zinc/27/78/99/1041277899.db2.gz RVKOFRREORUIMA-XYQBIQKZSA-N 1 3 349.316 3.912 20 0 EHADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660853833 1041845761 /nfs/dbraw/zinc/84/57/61/1041845761.db2.gz ISSVYKDTSMWPLS-SFHVURJKSA-N 1 3 340.515 3.692 20 0 EHADHO C[N@H+]1CCCC[C@H]1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660853833 1041845765 /nfs/dbraw/zinc/84/57/65/1041845765.db2.gz ISSVYKDTSMWPLS-SFHVURJKSA-N 1 3 340.515 3.692 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000164447590 1042244712 /nfs/dbraw/zinc/24/47/12/1042244712.db2.gz ANMQINFJUPGMLH-INIZCTEOSA-N 1 3 345.487 3.558 20 0 EHADHO C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663467263 1042888622 /nfs/dbraw/zinc/88/86/22/1042888622.db2.gz ZTBZAZDSPUEIMI-LWEYNCJUSA-N 1 3 334.548 3.968 20 0 EHADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC001167823979 1042938351 /nfs/dbraw/zinc/93/83/51/1042938351.db2.gz ANVZKJCTFNQQAJ-MRXNPFEDSA-N 1 3 334.504 3.572 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc(Br)cc1C(F)(F)F ZINC000643527277 1042977874 /nfs/dbraw/zinc/97/78/74/1042977874.db2.gz KVAYXMXMXBHBOZ-PRHODGIISA-N 1 3 339.199 3.856 20 0 EHADHO C/C(=C/c1ccc(Cl)cc1)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432368277 1043010520 /nfs/dbraw/zinc/01/05/20/1043010520.db2.gz PHPGGPSAKCNPAW-NOCRFKNCSA-N 1 3 336.907 3.834 20 0 EHADHO C/C(=C/c1ccc(Cl)cc1)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432368277 1043010523 /nfs/dbraw/zinc/01/05/23/1043010523.db2.gz PHPGGPSAKCNPAW-NOCRFKNCSA-N 1 3 336.907 3.834 20 0 EHADHO C[NH+](C)CCOc1ccccc1CNC/C=C\c1ccc(F)c(F)c1 ZINC000512084640 1043169374 /nfs/dbraw/zinc/16/93/74/1043169374.db2.gz QDMCNLOANRQFJR-WAYWQWQTSA-N 1 3 346.421 3.708 20 0 EHADHO C/C(=C\c1ccccc1)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512183669 1043737291 /nfs/dbraw/zinc/73/72/91/1043737291.db2.gz VXMLSONRJKELLH-QGYAIQDDSA-N 1 3 342.527 3.911 20 0 EHADHO CC(C)C1CCC(N2CCN(CC[NH+]3CCC(C)CC3)CC2)CC1 ZINC000154184713 1125701365 /nfs/dbraw/zinc/70/13/65/1125701365.db2.gz ZJKXSVMIJZMOAI-UHFFFAOYSA-N 1 3 335.580 3.551 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000154331611 1125712118 /nfs/dbraw/zinc/71/21/18/1125712118.db2.gz VOSNAMGEPCKYLN-ILWGZMRPSA-N 1 3 343.559 3.576 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000175748875 1126879234 /nfs/dbraw/zinc/87/92/34/1126879234.db2.gz BCNRERXUNKKIOQ-KRWDZBQOSA-N 1 3 334.435 3.532 20 0 EHADHO CC(C)[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342206 1126922149 /nfs/dbraw/zinc/92/21/49/1126922149.db2.gz LUAWJMHLOKFSGT-QFBILLFUSA-N 1 3 332.488 3.617 20 0 EHADHO CC(C)[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342206 1126922152 /nfs/dbraw/zinc/92/21/52/1126922152.db2.gz LUAWJMHLOKFSGT-QFBILLFUSA-N 1 3 332.488 3.617 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC1(C)C ZINC000623387881 1126941687 /nfs/dbraw/zinc/94/16/87/1126941687.db2.gz ZURSGAPDKJNHMN-QGZVFWFLSA-N 1 3 331.504 3.756 20 0 EHADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000623510731 1126969813 /nfs/dbraw/zinc/96/98/13/1126969813.db2.gz JGNXSPHBWVGANG-GOSISDBHSA-N 1 3 344.886 3.960 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccc3nccn32)CC1 ZINC000180026338 1127111435 /nfs/dbraw/zinc/11/14/35/1127111435.db2.gz HGOXGXRPOBSGPY-UHFFFAOYSA-N 1 3 348.494 3.678 20 0 EHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc3nccn32)CC1 ZINC000180026338 1127111438 /nfs/dbraw/zinc/11/14/38/1127111438.db2.gz HGOXGXRPOBSGPY-UHFFFAOYSA-N 1 3 348.494 3.678 20 0 EHADHO CC[NH+]1CCC(N[C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623853395 1127202370 /nfs/dbraw/zinc/20/23/70/1127202370.db2.gz XGAOQWXMPKSHGX-ZDUSSCGKSA-N 1 3 325.294 3.892 20 0 EHADHO Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623951207 1127221069 /nfs/dbraw/zinc/22/10/69/1127221069.db2.gz DHSFGMUPNMXBSE-GOSISDBHSA-N 1 3 347.572 3.829 20 0 EHADHO Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623951207 1127221072 /nfs/dbraw/zinc/22/10/72/1127221072.db2.gz DHSFGMUPNMXBSE-GOSISDBHSA-N 1 3 347.572 3.829 20 0 EHADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCCS2 ZINC000624123640 1127257054 /nfs/dbraw/zinc/25/70/54/1127257054.db2.gz PRMHGPZOBGYMBR-YJBOKZPZSA-N 1 3 334.529 3.944 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121246 1127255622 /nfs/dbraw/zinc/25/56/22/1127255622.db2.gz RFMQMOUFTQTEHI-AEFFLSMTSA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121246 1127255623 /nfs/dbraw/zinc/25/56/23/1127255623.db2.gz RFMQMOUFTQTEHI-AEFFLSMTSA-N 1 3 326.488 3.563 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368566024 1127416905 /nfs/dbraw/zinc/41/69/05/1127416905.db2.gz GPQNYCMGGOVJAU-DFQSSKMNSA-N 1 3 336.479 3.663 20 0 EHADHO C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185663807 1127429410 /nfs/dbraw/zinc/42/94/10/1127429410.db2.gz ISHAPCCFRARFIS-IAGOWNOFSA-N 1 3 334.479 3.837 20 0 EHADHO COc1cccc(CCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185682169 1127430319 /nfs/dbraw/zinc/43/03/19/1127430319.db2.gz FZWDFMYLLVBDRL-MJGOQNOKSA-N 1 3 330.516 3.870 20 0 EHADHO COc1ccccc1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185687884 1127430404 /nfs/dbraw/zinc/43/04/04/1127430404.db2.gz WNHJMGDCJSQNJP-PKOBYXMFSA-N 1 3 330.516 3.870 20 0 EHADHO Fc1ccccc1OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000764932265 1127554911 /nfs/dbraw/zinc/55/49/11/1127554911.db2.gz ZTPCHSQYGXKTHL-UHFFFAOYSA-N 1 3 334.479 3.981 20 0 EHADHO Fc1ccccc1OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000764932265 1127554915 /nfs/dbraw/zinc/55/49/15/1127554915.db2.gz ZTPCHSQYGXKTHL-UHFFFAOYSA-N 1 3 334.479 3.981 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000624308815 1127891377 /nfs/dbraw/zinc/89/13/77/1127891377.db2.gz YGPJOCIQXWYFBU-YESZJQIVSA-N 1 3 326.406 3.754 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000624308815 1127891381 /nfs/dbraw/zinc/89/13/81/1127891381.db2.gz YGPJOCIQXWYFBU-YESZJQIVSA-N 1 3 326.406 3.754 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000347543751 1128065948 /nfs/dbraw/zinc/06/59/48/1128065948.db2.gz YWANSOPNWUMSQD-INIZCTEOSA-N 1 3 349.478 3.774 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000347543751 1128065952 /nfs/dbraw/zinc/06/59/52/1128065952.db2.gz YWANSOPNWUMSQD-INIZCTEOSA-N 1 3 349.478 3.774 20 0 EHADHO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000671752636 1128210397 /nfs/dbraw/zinc/21/03/97/1128210397.db2.gz WLVRYTJYFSJSKA-MYGLTJDJSA-N 1 3 344.543 3.818 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000190843896 1120651512 /nfs/dbraw/zinc/65/15/12/1120651512.db2.gz XVHOXJJOQCATPW-UHFFFAOYSA-N 1 3 326.406 3.978 20 0 EHADHO CC(C)[NH+]1CCN(CCCN(C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000191455201 1120674594 /nfs/dbraw/zinc/67/45/94/1120674594.db2.gz KJRBVCXJMDGRJJ-KRWDZBQOSA-N 1 3 337.939 3.749 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)CN1CCCC1 ZINC000237604875 1121489309 /nfs/dbraw/zinc/48/93/09/1121489309.db2.gz FCQYODGNTCJACE-CVEARBPZSA-N 1 3 340.458 3.931 20 0 EHADHO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000495897199 1121562358 /nfs/dbraw/zinc/56/23/58/1121562358.db2.gz KQLDWMPDGDMMOV-BRWVUGGUSA-N 1 3 341.540 3.532 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000556921976 1123211294 /nfs/dbraw/zinc/21/12/94/1123211294.db2.gz ZSOZIEDFBZPYLR-DBVUQKKJSA-N 1 3 344.499 3.632 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000556921976 1123211296 /nfs/dbraw/zinc/21/12/96/1123211296.db2.gz ZSOZIEDFBZPYLR-DBVUQKKJSA-N 1 3 344.499 3.632 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc(C)c1F ZINC000133180334 1123356640 /nfs/dbraw/zinc/35/66/40/1123356640.db2.gz SHTJPZAWMLPPGX-SJORKVTESA-N 1 3 334.479 3.594 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096177 1123774874 /nfs/dbraw/zinc/77/48/74/1123774874.db2.gz ZRZMULRGKZYDFX-IERDGZPVSA-N 1 3 340.515 3.651 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096177 1123774878 /nfs/dbraw/zinc/77/48/78/1123774878.db2.gz ZRZMULRGKZYDFX-IERDGZPVSA-N 1 3 340.515 3.651 20 0 EHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1)C(C)C ZINC000617014830 1124077978 /nfs/dbraw/zinc/07/79/78/1124077978.db2.gz QJGQEFRLBXNQAP-LJQANCHMSA-N 1 3 345.531 3.520 20 0 EHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1)C(C)C ZINC000617014830 1124077983 /nfs/dbraw/zinc/07/79/83/1124077983.db2.gz QJGQEFRLBXNQAP-LJQANCHMSA-N 1 3 345.531 3.520 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000247231349 1124596805 /nfs/dbraw/zinc/59/68/05/1124596805.db2.gz YHXYRKQSCFMXMG-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000247231349 1124596812 /nfs/dbraw/zinc/59/68/12/1124596812.db2.gz YHXYRKQSCFMXMG-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000247231349 1124596819 /nfs/dbraw/zinc/59/68/19/1124596819.db2.gz YHXYRKQSCFMXMG-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000248399124 1124657042 /nfs/dbraw/zinc/65/70/42/1124657042.db2.gz JRFRNPMXERBVDI-MDNUFGMLSA-N 1 3 349.522 3.905 20 0 EHADHO CC(C)C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccs1 ZINC000090937034 1124946247 /nfs/dbraw/zinc/94/62/47/1124946247.db2.gz BHYJHGVDDDRCML-QGZVFWFLSA-N 1 3 347.528 3.961 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2ccncc2F)C[N@@H+]1Cc1ccccc1 ZINC000449206157 1124969647 /nfs/dbraw/zinc/96/96/47/1124969647.db2.gz AALOTFOWRRRFST-SJLPKXTDSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206157 1124969651 /nfs/dbraw/zinc/96/96/51/1124969651.db2.gz AALOTFOWRRRFST-SJLPKXTDSA-N 1 3 327.447 3.611 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2nccn2-c2ccccc2)CC1 ZINC000922506046 1129556917 /nfs/dbraw/zinc/55/69/17/1129556917.db2.gz XQSRYRDSCLXTOS-UHFFFAOYSA-N 1 3 338.499 3.759 20 0 EHADHO CN1CC[C@]2(CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999194 1129683537 /nfs/dbraw/zinc/68/35/37/1129683537.db2.gz DZDULGMITXKUMM-QFIPXVFZSA-N 1 3 346.478 3.529 20 0 EHADHO CN1CC[C@]2(CC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999194 1129683540 /nfs/dbraw/zinc/68/35/40/1129683540.db2.gz DZDULGMITXKUMM-QFIPXVFZSA-N 1 3 346.478 3.529 20 0 EHADHO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000347935605 1131093366 /nfs/dbraw/zinc/09/33/66/1131093366.db2.gz QARFDXMVTWIQJN-SWLSCSKDSA-N 1 3 346.441 3.587 20 0 EHADHO CCCCCC[C@H](CCC)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001172387485 1131728674 /nfs/dbraw/zinc/72/86/74/1131728674.db2.gz KFFWZVNPAKEASI-KRWDZBQOSA-N 1 3 326.525 3.872 20 0 EHADHO Cc1n[nH]cc1[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000180498371 1131742825 /nfs/dbraw/zinc/74/28/25/1131742825.db2.gz RLILUSMLESTPDQ-AWEZNQCLSA-N 1 3 346.906 3.934 20 0 EHADHO CO[C@@H]1CCC[C@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)C1 ZINC001172933213 1131910268 /nfs/dbraw/zinc/91/02/68/1131910268.db2.gz XIUHMRJJARVBTB-ZWKOTPCHSA-N 1 3 339.483 3.623 20 0 EHADHO CCCOC1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173093503 1131951776 /nfs/dbraw/zinc/95/17/76/1131951776.db2.gz JMYOHPZWRSOXRJ-UHFFFAOYSA-N 1 3 334.479 3.813 20 0 EHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001173074481 1131956318 /nfs/dbraw/zinc/95/63/18/1131956318.db2.gz FYELGTSYWHBJCU-DZGCQCFKSA-N 1 3 330.394 3.590 20 0 EHADHO CN(Cc1ccccc1)C1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173136158 1131978061 /nfs/dbraw/zinc/97/80/61/1131978061.db2.gz DWJDCEOVAOBYLP-GOSISDBHSA-N 1 3 341.524 3.597 20 0 EHADHO CCc1ccc(C[C@@H](C)[NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)cc1 ZINC001173243992 1132015344 /nfs/dbraw/zinc/01/53/44/1132015344.db2.gz RAIBBWXSSYBTAV-XMSQKQJNSA-N 1 3 344.543 3.755 20 0 EHADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000379902330 1132443438 /nfs/dbraw/zinc/44/34/38/1132443438.db2.gz JBVXTPWTCRQEHU-PWRODBHTSA-N 1 3 330.516 3.836 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)OCc1cc(Cl)ccc13)C2 ZINC001169155326 1132679859 /nfs/dbraw/zinc/67/98/59/1132679859.db2.gz NDXRLVQBIADUBM-BCDXTJNWSA-N 1 3 346.902 3.787 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)OCc1cc(Cl)ccc13)C2 ZINC001169155326 1132679863 /nfs/dbraw/zinc/67/98/63/1132679863.db2.gz NDXRLVQBIADUBM-BCDXTJNWSA-N 1 3 346.902 3.787 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc4sccc43)CC1)C2 ZINC001169155531 1132680081 /nfs/dbraw/zinc/68/00/81/1132680081.db2.gz QKCRWYYTNUTONM-FVQHAEBGSA-N 1 3 341.524 3.649 20 0 EHADHO C[C@H]1OC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc21 ZINC001169160804 1132683069 /nfs/dbraw/zinc/68/30/69/1132683069.db2.gz LKJYLVCRYDSWFH-ZJPYXAASSA-N 1 3 326.484 3.694 20 0 EHADHO C[C@H]1OC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160804 1132683074 /nfs/dbraw/zinc/68/30/74/1132683074.db2.gz LKJYLVCRYDSWFH-ZJPYXAASSA-N 1 3 326.484 3.694 20 0 EHADHO C[C@@H]1CN(Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004044 1132687911 /nfs/dbraw/zinc/68/79/11/1132687911.db2.gz PEELZLCRBYTXHZ-PWSUYJOCSA-N 1 3 336.348 3.790 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC001177299587 1133048307 /nfs/dbraw/zinc/04/83/07/1133048307.db2.gz WQQCSEWQYRVPFN-SJORKVTESA-N 1 3 346.515 3.763 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC001177299587 1133048313 /nfs/dbraw/zinc/04/83/13/1133048313.db2.gz WQQCSEWQYRVPFN-SJORKVTESA-N 1 3 346.515 3.763 20 0 EHADHO c1ccc2c(c1)OCC[C@H]2CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001178585577 1133179724 /nfs/dbraw/zinc/17/97/24/1133179724.db2.gz XPZMAOYWEKDNGQ-HKUYNNGSSA-N 1 3 328.500 3.939 20 0 EHADHO c1ccc2c(c1)OCC[C@H]2CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585577 1133179726 /nfs/dbraw/zinc/17/97/26/1133179726.db2.gz XPZMAOYWEKDNGQ-HKUYNNGSSA-N 1 3 328.500 3.939 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000769483173 1133287707 /nfs/dbraw/zinc/28/77/07/1133287707.db2.gz GUPUBRGFAZLLHD-LRDDRELGSA-N 1 3 346.544 3.779 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000769483173 1133287714 /nfs/dbraw/zinc/28/77/14/1133287714.db2.gz GUPUBRGFAZLLHD-LRDDRELGSA-N 1 3 346.544 3.779 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897846 1133293821 /nfs/dbraw/zinc/29/38/21/1133293821.db2.gz ABAJMTDSEOMSFX-AEFFLSMTSA-N 1 3 348.531 3.786 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897846 1133293825 /nfs/dbraw/zinc/29/38/25/1133293825.db2.gz ABAJMTDSEOMSFX-AEFFLSMTSA-N 1 3 348.531 3.786 20 0 EHADHO CCOc1cc2c(cc1OCC)CN(CC1CC[NH+](CC)CC1)CC2 ZINC001179951574 1133304548 /nfs/dbraw/zinc/30/45/48/1133304548.db2.gz LCPUKFHJBBYDHJ-UHFFFAOYSA-N 1 3 346.515 3.574 20 0 EHADHO C[C@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134819 1134410354 /nfs/dbraw/zinc/41/03/54/1134410354.db2.gz DUSQKDHKQYTTAA-GUGJDKNPSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134819 1134410360 /nfs/dbraw/zinc/41/03/60/1134410360.db2.gz DUSQKDHKQYTTAA-GUGJDKNPSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000790748957 1134461419 /nfs/dbraw/zinc/46/14/19/1134461419.db2.gz SKPUEXOQJRWRJC-QGZVFWFLSA-N 1 3 343.515 3.586 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(O)CCCCC2)ccc1OC ZINC000775383114 1134694370 /nfs/dbraw/zinc/69/43/70/1134694370.db2.gz UVVKLWQZVDOYED-KRWDZBQOSA-N 1 3 348.531 3.883 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)OC)cc1CN1CCCCC1 ZINC000775399082 1134724389 /nfs/dbraw/zinc/72/43/89/1134724389.db2.gz DBPGMAHGIZFZAP-INIZCTEOSA-N 1 3 334.504 3.757 20 0 EHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001199328394 1135897889 /nfs/dbraw/zinc/89/78/89/1135897889.db2.gz ADCFQJMXJFJZEG-YHELAOLJSA-N 1 3 336.564 3.929 20 0 EHADHO FC(F)(F)c1cccnc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC001200880510 1135963082 /nfs/dbraw/zinc/96/30/82/1135963082.db2.gz UJQVGEIRELOAIO-UHFFFAOYSA-N 1 3 341.421 3.987 20 0 EHADHO c1ccc2ncc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000850363039 1136241194 /nfs/dbraw/zinc/24/11/94/1136241194.db2.gz YNYUAQHYYFYFJE-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)ccc1OC ZINC000850480934 1136267111 /nfs/dbraw/zinc/26/71/11/1136267111.db2.gz CTCJAMAGPVEPDJ-QAPCUYQASA-N 1 3 334.504 3.755 20 0 EHADHO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000173307167 1136726381 /nfs/dbraw/zinc/72/63/81/1136726381.db2.gz UHSQVJAJOWWMMM-HNNXBMFYSA-N 1 3 328.456 3.616 20 0 EHADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccsc3)C2)ccn1 ZINC000856560557 1136795384 /nfs/dbraw/zinc/79/53/84/1136795384.db2.gz IJSIQAUFDSUPCU-LJQANCHMSA-N 1 3 345.512 3.637 20 0 EHADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccsc3)C2)ccn1 ZINC000856560557 1136795386 /nfs/dbraw/zinc/79/53/86/1136795386.db2.gz IJSIQAUFDSUPCU-LJQANCHMSA-N 1 3 345.512 3.637 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000817962173 1136852297 /nfs/dbraw/zinc/85/22/97/1136852297.db2.gz GWCSWYQONKKGFC-CABCVRRESA-N 1 3 339.439 3.514 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000819078546 1136911135 /nfs/dbraw/zinc/91/11/35/1136911135.db2.gz JIQPICUSSUHCOI-HRAATJIYSA-N 1 3 342.458 3.674 20 0 EHADHO Nc1ccnc2cc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)ccc12 ZINC001171097878 1137194684 /nfs/dbraw/zinc/19/46/84/1137194684.db2.gz DRZUBXLIZLEGIN-ZDUSSCGKSA-N 1 3 328.419 3.577 20 0 EHADHO c1nc(CNCCC2CC[NH+](Cc3ccccc3)CC2)cn1C1CC1 ZINC000865717629 1137306485 /nfs/dbraw/zinc/30/64/85/1137306485.db2.gz GTWXSMDHKXIZSJ-UHFFFAOYSA-N 1 3 338.499 3.610 20 0 EHADHO Cn1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c2cccnc21 ZINC000865812809 1137313691 /nfs/dbraw/zinc/31/36/91/1137313691.db2.gz VEDPPZUKEIDEEW-UHFFFAOYSA-N 1 3 340.515 3.503 20 0 EHADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000845941471 1137321767 /nfs/dbraw/zinc/32/17/67/1137321767.db2.gz FIPLNCSWAOKPBK-YESZJQIVSA-N 1 3 326.525 3.597 20 0 EHADHO CCC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCN[C@H](C)C1 ZINC001246842380 1137389612 /nfs/dbraw/zinc/38/96/12/1137389612.db2.gz YQBZETYYEIGPGD-CZUORRHYSA-N 1 3 325.294 3.802 20 0 EHADHO CCCN(Cc1cccc(Br)c1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246842380 1137389608 /nfs/dbraw/zinc/38/96/08/1137389608.db2.gz YQBZETYYEIGPGD-CZUORRHYSA-N 1 3 325.294 3.802 20 0 EHADHO CCC[N@H+](Cc1cccc(Br)c1)[C@@H]1CCN[C@H](C)C1 ZINC001246842380 1137389610 /nfs/dbraw/zinc/38/96/10/1137389610.db2.gz YQBZETYYEIGPGD-CZUORRHYSA-N 1 3 325.294 3.802 20 0 EHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000773046527 1137461597 /nfs/dbraw/zinc/46/15/97/1137461597.db2.gz STUUAHSQKBBSLG-YVEFUNNKSA-N 1 3 342.886 3.754 20 0 EHADHO C[NH+](C)C1(C)CCC(NCc2cc(O)ccc2Br)CC1 ZINC000715573380 1137477354 /nfs/dbraw/zinc/47/73/54/1137477354.db2.gz VENATYACYPRZTB-UHFFFAOYSA-N 1 3 341.293 3.507 20 0 EHADHO C[C@H]([NH3+])[C@H](NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000925494413 1137485619 /nfs/dbraw/zinc/48/56/19/1137485619.db2.gz POHSYBNEMSYLQF-WDYCEAGBSA-N 1 3 329.513 3.563 20 0 EHADHO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716619065 1137487673 /nfs/dbraw/zinc/48/76/73/1137487673.db2.gz BARQSGMKIZYSQN-VLQCVTHLSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505297 1137494680 /nfs/dbraw/zinc/49/46/80/1137494680.db2.gz HVTBKFLLABXLTM-ZFWWWQNUSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505297 1137494681 /nfs/dbraw/zinc/49/46/81/1137494681.db2.gz HVTBKFLLABXLTM-ZFWWWQNUSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505297 1137494682 /nfs/dbraw/zinc/49/46/82/1137494682.db2.gz HVTBKFLLABXLTM-ZFWWWQNUSA-N 1 3 340.433 3.815 20 0 EHADHO C[NH+]1C(C)(C)CC(NCCCC(=O)OCc2ccccc2)CC1(C)C ZINC001171621704 1137501076 /nfs/dbraw/zinc/50/10/76/1137501076.db2.gz OKLFTXPFEFDEPR-UHFFFAOYSA-N 1 3 346.515 3.751 20 0 EHADHO C[NH+]1C(C)(C)CC(N[C@H]2CCN(Cc3cccc(F)c3)C2)CC1(C)C ZINC001171627551 1137501563 /nfs/dbraw/zinc/50/15/63/1137501563.db2.gz WGGQPMKBAQRQLP-SFHVURJKSA-N 1 3 347.522 3.641 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641283 1137504490 /nfs/dbraw/zinc/50/44/90/1137504490.db2.gz OBAMAHIYGUJEHJ-SFHVURJKSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641283 1137504492 /nfs/dbraw/zinc/50/44/92/1137504492.db2.gz OBAMAHIYGUJEHJ-SFHVURJKSA-N 1 3 331.504 3.576 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC[C@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641283 1137504494 /nfs/dbraw/zinc/50/44/94/1137504494.db2.gz OBAMAHIYGUJEHJ-SFHVURJKSA-N 1 3 331.504 3.576 20 0 EHADHO Cc1ccnc(O[C@@H]2CCCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)c1 ZINC001171641686 1137504857 /nfs/dbraw/zinc/50/48/57/1137504857.db2.gz SZZBOQYUOBCRNF-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1ccnc(O[C@@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641686 1137504858 /nfs/dbraw/zinc/50/48/58/1137504858.db2.gz SZZBOQYUOBCRNF-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1ccnc(O[C@@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641686 1137504859 /nfs/dbraw/zinc/50/48/59/1137504859.db2.gz SZZBOQYUOBCRNF-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1ccnc(OC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)c1 ZINC001171642218 1137505171 /nfs/dbraw/zinc/50/51/71/1137505171.db2.gz ZMKBRJGMNPUKHV-UHFFFAOYSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1ccnc(OC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171642218 1137505173 /nfs/dbraw/zinc/50/51/73/1137505173.db2.gz ZMKBRJGMNPUKHV-UHFFFAOYSA-N 1 3 345.531 3.885 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111478 1137537580 /nfs/dbraw/zinc/53/75/80/1137537580.db2.gz RPSXDRTVMCGVFZ-YVSFHVDLSA-N 1 3 343.298 3.632 20 0 EHADHO FC(F)(F)C1CCN(C2CC(Nc3cc[nH+]cc3C3CC3)C2)CC1 ZINC000872526804 1137581155 /nfs/dbraw/zinc/58/11/55/1137581155.db2.gz GDUVFISBZQGSOD-UHFFFAOYSA-N 1 3 339.405 3.598 20 0 EHADHO Cc1sc(C[NH2+]C2CCN(CC3CC3)CC2)cc1Br ZINC000873016931 1137588102 /nfs/dbraw/zinc/58/81/02/1137588102.db2.gz UCCFGXQXIBBGNC-UHFFFAOYSA-N 1 3 343.334 3.783 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000873224243 1137594362 /nfs/dbraw/zinc/59/43/62/1137594362.db2.gz XZPLRAGSHPXLJO-FQEVSTJZSA-N 1 3 326.488 3.582 20 0 EHADHO CCCc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873246753 1137595190 /nfs/dbraw/zinc/59/51/90/1137595190.db2.gz ALTHBLCOEGGEKM-MRXNPFEDSA-N 1 3 349.482 3.529 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000125957370 1137652127 /nfs/dbraw/zinc/65/21/27/1137652127.db2.gz NRLYPUBCXYVSTQ-ROUUACIJSA-N 1 3 343.515 3.584 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3conc3Cc3ccccc3)CC2)CC1 ZINC000877684314 1137685746 /nfs/dbraw/zinc/68/57/46/1137685746.db2.gz LLQKLNJJYXEPRB-UHFFFAOYSA-N 1 3 339.483 3.573 20 0 EHADHO CN1CC[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573716 1137751650 /nfs/dbraw/zinc/75/16/50/1137751650.db2.gz QAMCEQONTCRNMF-WBVHZDCISA-N 1 3 326.406 3.664 20 0 EHADHO CN1CC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573716 1137751651 /nfs/dbraw/zinc/75/16/51/1137751651.db2.gz QAMCEQONTCRNMF-WBVHZDCISA-N 1 3 326.406 3.664 20 0 EHADHO CC(C)[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883199876 1137848248 /nfs/dbraw/zinc/84/82/48/1137848248.db2.gz SGKLLTFXUVJWDE-HXUWFJFHSA-N 1 3 334.479 3.756 20 0 EHADHO COc1cc(Cl)c(CNCCCCC[NH+]2CCCC2)cc1OC ZINC001202579744 1137882021 /nfs/dbraw/zinc/88/20/21/1137882021.db2.gz PENUNCPVHHGKMA-UHFFFAOYSA-N 1 3 340.895 3.713 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@]23CCN(CCC2CCOCC2)C3)cc1 ZINC001202667905 1137915219 /nfs/dbraw/zinc/91/52/19/1137915219.db2.gz CMMQTSYODMVPDG-OAQYLSRUSA-N 1 3 328.500 3.544 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@]23CCN(CCC2CCOCC2)C3)cc1 ZINC001202667905 1137915220 /nfs/dbraw/zinc/91/52/20/1137915220.db2.gz CMMQTSYODMVPDG-OAQYLSRUSA-N 1 3 328.500 3.544 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000885922560 1138024649 /nfs/dbraw/zinc/02/46/49/1138024649.db2.gz DWQWDRRGARKSOQ-HNNXBMFYSA-N 1 3 326.488 3.548 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000885922560 1138024651 /nfs/dbraw/zinc/02/46/51/1138024651.db2.gz DWQWDRRGARKSOQ-HNNXBMFYSA-N 1 3 326.488 3.548 20 0 EHADHO C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886536350 1138092558 /nfs/dbraw/zinc/09/25/58/1138092558.db2.gz GFUDMACNZDSLAV-YCZSINBZSA-N 1 3 335.495 3.655 20 0 EHADHO CC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886628130 1138103532 /nfs/dbraw/zinc/10/35/32/1138103532.db2.gz GUCHTMVWNXAGNN-UQVNRYHBSA-N 1 3 328.500 3.587 20 0 EHADHO CC(C)[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000091399206 1138218772 /nfs/dbraw/zinc/21/87/72/1138218772.db2.gz ORUXZXGVPVIMHT-ACRUOGEOSA-N 1 3 330.516 3.741 20 0 EHADHO Cc1ccc([C@H](NCc2ccnc(OCC[NH+](C)C)c2)C2CC2)cc1 ZINC000091408616 1138219229 /nfs/dbraw/zinc/21/92/29/1138219229.db2.gz XQSLMKPLEBIVMM-NRFANRHFSA-N 1 3 339.483 3.571 20 0 EHADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(OC)cc1 ZINC000122327921 1138257056 /nfs/dbraw/zinc/25/70/56/1138257056.db2.gz FHCNCRAJXODIQI-FQEVSTJZSA-N 1 3 342.483 3.877 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749103 1139150026 /nfs/dbraw/zinc/15/00/26/1139150026.db2.gz JWQIPWHVEYFMNK-CLCXKQKWSA-N 1 3 343.446 3.831 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H](C)C1 ZINC000178298982 1139685033 /nfs/dbraw/zinc/68/50/33/1139685033.db2.gz BDBBQUOYTUTNLH-APWZRJJASA-N 1 3 325.456 3.694 20 0 EHADHO CCC[C@@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000180075074 1139806953 /nfs/dbraw/zinc/80/69/53/1139806953.db2.gz LGFLCZGWZVDQPD-FCHUYYIVSA-N 1 3 343.559 3.672 20 0 EHADHO CCC[C@@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075074 1139806958 /nfs/dbraw/zinc/80/69/58/1139806958.db2.gz LGFLCZGWZVDQPD-FCHUYYIVSA-N 1 3 343.559 3.672 20 0 EHADHO CC(=O)Nc1ccc([C@@H](C)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000181923137 1139940207 /nfs/dbraw/zinc/94/02/07/1139940207.db2.gz KPLZUPJPWNDJKV-QGZVFWFLSA-N 1 3 339.483 3.818 20 0 EHADHO CC(=O)Nc1ccc([C@@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000181923137 1139940211 /nfs/dbraw/zinc/94/02/11/1139940211.db2.gz KPLZUPJPWNDJKV-QGZVFWFLSA-N 1 3 339.483 3.818 20 0 EHADHO CC(=O)Nc1ccc([C@H](C)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000181923117 1139940535 /nfs/dbraw/zinc/94/05/35/1139940535.db2.gz KPLZUPJPWNDJKV-KRWDZBQOSA-N 1 3 339.483 3.818 20 0 EHADHO CC(=O)Nc1ccc([C@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000181923117 1139940541 /nfs/dbraw/zinc/94/05/41/1139940541.db2.gz KPLZUPJPWNDJKV-KRWDZBQOSA-N 1 3 339.483 3.818 20 0 EHADHO c1ccc(CN2C[C@H]3CCC[C@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000183128026 1140015326 /nfs/dbraw/zinc/01/53/26/1140015326.db2.gz AYCGRFPNHSLLSC-VSKRKVRLSA-N 1 3 335.495 3.514 20 0 EHADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccs1 ZINC000183498302 1140043066 /nfs/dbraw/zinc/04/30/66/1140043066.db2.gz DHLVHFHPAMDTOK-MRXNPFEDSA-N 1 3 345.512 3.511 20 0 EHADHO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CCN(C(C)C)CC1)CCC2 ZINC000192971427 1140557590 /nfs/dbraw/zinc/55/75/90/1140557590.db2.gz MJPUKRCOFDGJGL-MRXNPFEDSA-N 1 3 348.487 3.605 20 0 EHADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835577 1141004452 /nfs/dbraw/zinc/00/44/52/1141004452.db2.gz RXHASIMEZNGCGP-KBPBESRZSA-N 1 3 342.405 3.763 20 0 EHADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835577 1141004458 /nfs/dbraw/zinc/00/44/58/1141004458.db2.gz RXHASIMEZNGCGP-KBPBESRZSA-N 1 3 342.405 3.763 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432392 1141366267 /nfs/dbraw/zinc/36/62/67/1141366267.db2.gz CFCKWWABXOVORF-DYEKYZERSA-N 1 3 337.920 3.811 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432392 1141366274 /nfs/dbraw/zinc/36/62/74/1141366274.db2.gz CFCKWWABXOVORF-DYEKYZERSA-N 1 3 337.920 3.811 20 0 EHADHO CCN(C)c1ccc(CN(CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000348998307 1141620022 /nfs/dbraw/zinc/62/00/22/1141620022.db2.gz DDXJDWWVBLFRAU-UHFFFAOYSA-N 1 3 340.515 3.621 20 0 EHADHO C[NH+](C)[C@@H]1CCCN(c2nccc3c2ccn3Cc2ccccc2)C1 ZINC001165040435 721892645 /nfs/dbraw/zinc/89/26/45/721892645.db2.gz VZSUSNAYPIEEBJ-GOSISDBHSA-N 1 3 334.467 3.615 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093360 1014988554 /nfs/dbraw/zinc/98/85/54/1014988554.db2.gz QEFCOJPUWURGBF-IPYPFGDCSA-N 1 3 330.394 3.761 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093360 1014988561 /nfs/dbraw/zinc/98/85/61/1014988561.db2.gz QEFCOJPUWURGBF-IPYPFGDCSA-N 1 3 330.394 3.761 20 0 EHADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1nccs1 ZINC000274763968 1015018514 /nfs/dbraw/zinc/01/85/14/1015018514.db2.gz KSGPBNTVLIXFNK-NUJGCVRESA-N 1 3 329.513 3.747 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)[C@H](C)O1 ZINC000449130455 1032223469 /nfs/dbraw/zinc/22/34/69/1032223469.db2.gz ZCGIAPFFTNYBRM-ZRGWGRIASA-N 1 3 336.907 3.708 20 0 EHADHO CC(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905066494 1032340462 /nfs/dbraw/zinc/34/04/62/1032340462.db2.gz SDIAKRZDCRPULU-QGZVFWFLSA-N 1 3 345.314 3.737 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2c(s1)CCCC2 ZINC000536844846 1032341177 /nfs/dbraw/zinc/34/11/77/1032341177.db2.gz JOSPFBZUMWESRC-QGTPRVQTSA-N 1 3 348.556 3.655 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC1)C2 ZINC000459692378 1032419306 /nfs/dbraw/zinc/41/93/06/1032419306.db2.gz GYAAUYBUJWNYGB-NSISKUIASA-N 1 3 342.527 3.795 20 0 EHADHO CN1CCC[C@H](C[N@H+](C)Cc2ccccc2Oc2cccnc2)C1 ZINC000118841964 1032424744 /nfs/dbraw/zinc/42/47/44/1032424744.db2.gz VYEYRBNJQSVMGC-KRWDZBQOSA-N 1 3 325.456 3.648 20 0 EHADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccccc2Oc2cccnc2)C1 ZINC000118841964 1032424753 /nfs/dbraw/zinc/42/47/53/1032424753.db2.gz VYEYRBNJQSVMGC-KRWDZBQOSA-N 1 3 325.456 3.648 20 0 EHADHO COC(=O)[C@H]1CC[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449293768 1032436433 /nfs/dbraw/zinc/43/64/33/1032436433.db2.gz WHVGERCGCINHTR-DOTOQJQBSA-N 1 3 338.536 3.597 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3C)CC1)C2 ZINC000459715305 1032442929 /nfs/dbraw/zinc/44/29/29/1032442929.db2.gz YQUZANFOOJDROI-OZOXKJRCSA-N 1 3 342.527 3.795 20 0 EHADHO CC[C@H](c1ccc(Br)cc1)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110644403 1017088827 /nfs/dbraw/zinc/08/88/27/1017088827.db2.gz NQMSYDJZOHTZPJ-MLGOLLRUSA-N 1 3 325.294 3.959 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000423037787 1032493172 /nfs/dbraw/zinc/49/31/72/1032493172.db2.gz BXJYDNREYBYUMY-RQUSPXKASA-N 1 3 345.849 3.792 20 0 EHADHO CC[C@H](CNC1CC[NH+](CC)CC1)Oc1ccccc1C(F)(F)F ZINC000537059579 1032497747 /nfs/dbraw/zinc/49/77/47/1032497747.db2.gz OPPDONBHMPHJFX-OAHLLOKOSA-N 1 3 344.421 3.937 20 0 EHADHO CC(C)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000091287610 1032681188 /nfs/dbraw/zinc/68/11/88/1032681188.db2.gz JDWYDCWGOQHSAJ-HXUWFJFHSA-N 1 3 327.472 3.509 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415060449 1017472101 /nfs/dbraw/zinc/47/21/01/1017472101.db2.gz WUOUBWDPGLTARM-OAQYLSRUSA-N 1 3 334.467 3.751 20 0 EHADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415088642 1017538054 /nfs/dbraw/zinc/53/80/54/1017538054.db2.gz WLGHCXKYTZLVJM-PBWTXFEYSA-N 1 3 347.934 3.819 20 0 EHADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415110024 1017557384 /nfs/dbraw/zinc/55/73/84/1017557384.db2.gz PUKWKFYPXMCVLG-XJKSGUPXSA-N 1 3 326.406 3.857 20 0 EHADHO Cc1ccc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000538115837 1017732393 /nfs/dbraw/zinc/73/23/93/1017732393.db2.gz CJVGVTCRODHSJF-UEXGIBASSA-N 1 3 330.516 3.925 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168279761 1032808685 /nfs/dbraw/zinc/80/86/85/1032808685.db2.gz KWUWLAHYJPPVTG-VQTJNVASSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168279761 1032808699 /nfs/dbraw/zinc/80/86/99/1032808699.db2.gz KWUWLAHYJPPVTG-VQTJNVASSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@H](N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001168279761 1032808709 /nfs/dbraw/zinc/80/87/09/1032808709.db2.gz KWUWLAHYJPPVTG-VQTJNVASSA-N 1 3 328.500 3.503 20 0 EHADHO COCc1ccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513487457 1019745299 /nfs/dbraw/zinc/74/52/99/1019745299.db2.gz FDGASMVVTLDWPT-HKUYNNGSSA-N 1 3 342.483 3.816 20 0 EHADHO COCc1ccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487457 1019745305 /nfs/dbraw/zinc/74/53/05/1019745305.db2.gz FDGASMVVTLDWPT-HKUYNNGSSA-N 1 3 342.483 3.816 20 0 EHADHO C[C@@H](Cn1cccn1)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345159468 1019994840 /nfs/dbraw/zinc/99/48/40/1019994840.db2.gz HLVWCJSGXKXURR-QRVBRYPASA-N 1 3 340.515 3.539 20 0 EHADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000089143671 1020303261 /nfs/dbraw/zinc/30/32/61/1020303261.db2.gz MORRPCIAMGFNEI-LNSITVRQSA-N 1 3 341.293 3.626 20 0 EHADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430550991 1020642121 /nfs/dbraw/zinc/64/21/21/1020642121.db2.gz HIQXLFIEWKYORH-NRFANRHFSA-N 1 3 339.483 3.645 20 0 EHADHO [NH3+]CCc1cn(-c2ccncc2-c2ccccc2)c2ccc(O)cc12 ZINC001167985931 1021292616 /nfs/dbraw/zinc/29/26/16/1021292616.db2.gz MUFIURLHCPOQBM-UHFFFAOYSA-N 1 3 329.403 3.899 20 0 EHADHO Cc1noc2ncc(C[NH2+]CC[C@H](C)N(C)Cc3ccccc3)cc12 ZINC000894322748 1021326387 /nfs/dbraw/zinc/32/63/87/1021326387.db2.gz DBNNIWPUSOIHLN-HNNXBMFYSA-N 1 3 338.455 3.531 20 0 EHADHO c1oc(-c2ccccc2)nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786717 1021342495 /nfs/dbraw/zinc/34/24/95/1021342495.db2.gz WXFHEAOKZDMDQJ-GOSISDBHSA-N 1 3 325.456 3.553 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000519795903 1021681304 /nfs/dbraw/zinc/68/13/04/1021681304.db2.gz YSBBSECTZYBQQZ-BAAYTWLHSA-N 1 3 336.426 3.765 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000519795903 1021681311 /nfs/dbraw/zinc/68/13/11/1021681311.db2.gz YSBBSECTZYBQQZ-BAAYTWLHSA-N 1 3 336.426 3.765 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000519795903 1021681319 /nfs/dbraw/zinc/68/13/19/1021681319.db2.gz YSBBSECTZYBQQZ-BAAYTWLHSA-N 1 3 336.426 3.765 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]CCCN ZINC000437790894 1022142876 /nfs/dbraw/zinc/14/28/76/1022142876.db2.gz ZIKAQUBYTJAACW-XNTOXWQXSA-N 1 3 328.500 3.555 20 0 EHADHO FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000425918417 1022202040 /nfs/dbraw/zinc/20/20/40/1022202040.db2.gz FAZHKFKSPAFMPO-GBESFXJTSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000438210544 1022471880 /nfs/dbraw/zinc/47/18/80/1022471880.db2.gz JBDHAHAOMUQFOF-UYAOXDASSA-N 1 3 340.486 3.911 20 0 EHADHO CC[NH2+]CC1CCN(Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000261768714 1022560345 /nfs/dbraw/zinc/56/03/45/1022560345.db2.gz WOVCASKMBMNGEA-UHFFFAOYSA-N 1 3 342.430 3.508 20 0 EHADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414928993 1022633582 /nfs/dbraw/zinc/63/35/82/1022633582.db2.gz QXHIKSPDOYOYAY-MOPGFXCFSA-N 1 3 340.467 3.634 20 0 EHADHO Fc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167977859 1022741797 /nfs/dbraw/zinc/74/17/97/1022741797.db2.gz GVGDWCLSCUOVMT-IHWFROFDSA-N 1 3 328.475 3.896 20 0 EHADHO Fc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167977859 1022741806 /nfs/dbraw/zinc/74/18/06/1022741806.db2.gz GVGDWCLSCUOVMT-IHWFROFDSA-N 1 3 328.475 3.896 20 0 EHADHO Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167977859 1022741818 /nfs/dbraw/zinc/74/18/18/1022741818.db2.gz GVGDWCLSCUOVMT-IHWFROFDSA-N 1 3 328.475 3.896 20 0 EHADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000550213656 1022760202 /nfs/dbraw/zinc/76/02/02/1022760202.db2.gz VNYXJFOGVKJMHB-QZTJIDSGSA-N 1 3 338.536 3.600 20 0 EHADHO FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000189037853 1022955865 /nfs/dbraw/zinc/95/58/65/1022955865.db2.gz OZJQSKNKGREAFC-LLVKDONJSA-N 1 3 332.797 3.933 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000506861275 1022967252 /nfs/dbraw/zinc/96/72/52/1022967252.db2.gz KXVBHKHHSLQJNQ-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000506861275 1022967265 /nfs/dbraw/zinc/96/72/65/1022967265.db2.gz KXVBHKHHSLQJNQ-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO c1ccc(OCC2CC2)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000506882157 1022971536 /nfs/dbraw/zinc/97/15/36/1022971536.db2.gz VFYPWTIPHUUCIK-UHFFFAOYSA-N 1 3 328.500 3.783 20 0 EHADHO C[C@@H]1C[C@@H](NC(Cc2ccccc2F)Cc2ccccc2F)CC[NH2+]1 ZINC000414952377 1022994390 /nfs/dbraw/zinc/99/43/90/1022994390.db2.gz QPUVDGXIZHAROK-QAPCUYQASA-N 1 3 344.449 3.849 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CCN1 ZINC000414952377 1022994402 /nfs/dbraw/zinc/99/44/02/1022994402.db2.gz QPUVDGXIZHAROK-QAPCUYQASA-N 1 3 344.449 3.849 20 0 EHADHO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481580 1023475663 /nfs/dbraw/zinc/47/56/63/1023475663.db2.gz PGFDQHSTHKFTAK-UZKOGDIHSA-N 1 3 338.495 3.529 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657878801 1033161975 /nfs/dbraw/zinc/16/19/75/1033161975.db2.gz HNLWEAUHUFXMCT-SFHVURJKSA-N 1 3 348.918 3.853 20 0 EHADHO Cc1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)ccc1C[NH+](C)C ZINC000458274953 1023846124 /nfs/dbraw/zinc/84/61/24/1023846124.db2.gz XXWARCFHOLEFJH-HXUWFJFHSA-N 1 3 343.515 3.792 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168024455 1024330689 /nfs/dbraw/zinc/33/06/89/1024330689.db2.gz GVPVKZKAHAKYOP-HGKCTWBKSA-N 1 3 327.447 3.752 20 0 EHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000514728054 1024704367 /nfs/dbraw/zinc/70/43/67/1024704367.db2.gz IKYVXUGJEBMCJF-ZDUSSCGKSA-N 1 3 338.373 3.937 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](CO)CC2CCCC2)CC1 ZINC000467432009 1024936597 /nfs/dbraw/zinc/93/65/97/1024936597.db2.gz HNZMKWAVDGXASF-LMNJBCLMSA-N 1 3 336.564 3.808 20 0 EHADHO C[C@@H](Cc1cccnc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000897964324 1033260811 /nfs/dbraw/zinc/26/08/11/1033260811.db2.gz CDKJPYFKUBKAAE-MQGJPIDWSA-N 1 3 335.495 3.655 20 0 EHADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Oc1cccnc1 ZINC000346854831 1025243596 /nfs/dbraw/zinc/24/35/96/1025243596.db2.gz UOBFYLXDGDHCNO-YSIASYRMSA-N 1 3 337.467 3.742 20 0 EHADHO COCc1csc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000657354998 1025425930 /nfs/dbraw/zinc/42/59/30/1025425930.db2.gz YIXREGGOECRJGA-GOSISDBHSA-N 1 3 344.524 3.549 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044429 1025460792 /nfs/dbraw/zinc/46/07/92/1025460792.db2.gz FJGAAKJTYUOTTG-CTNGQTDRSA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044429 1025460811 /nfs/dbraw/zinc/46/08/11/1025460811.db2.gz FJGAAKJTYUOTTG-CTNGQTDRSA-N 1 3 328.500 3.542 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2cc(Cl)ccc2o1 ZINC000442874335 1025547771 /nfs/dbraw/zinc/54/77/71/1025547771.db2.gz MSYVZSBDLJYVJY-CQSZACIVSA-N 1 3 349.906 3.763 20 0 EHADHO CCN1CCC([N@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050924 1025737029 /nfs/dbraw/zinc/73/70/29/1025737029.db2.gz DGDRWQCMQUOXGD-HATOLVCRSA-N 1 3 343.559 3.844 20 0 EHADHO CCN1CCC([N@@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050924 1025737039 /nfs/dbraw/zinc/73/70/39/1025737039.db2.gz DGDRWQCMQUOXGD-HATOLVCRSA-N 1 3 343.559 3.844 20 0 EHADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000611587858 1025932652 /nfs/dbraw/zinc/93/26/52/1025932652.db2.gz WZDZZPYKDVWNJS-UHZRXMQZSA-N 1 3 330.541 3.771 20 0 EHADHO C[C@@H]1C[C@@H](N2CCN3CCCC[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054394 1026070076 /nfs/dbraw/zinc/07/00/76/1026070076.db2.gz RCJFBEYCLJLMHC-MXNKGDRCSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@@H]1C[C@@H](N2CCN3CCCC[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054394 1026070093 /nfs/dbraw/zinc/07/00/93/1026070093.db2.gz RCJFBEYCLJLMHC-MXNKGDRCSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@@H]1CC(N2CCN3CCCC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054401 1026072553 /nfs/dbraw/zinc/07/25/53/1026072553.db2.gz RCJFBEYCLJLMHC-SFHLNBCPSA-N 1 3 341.543 3.598 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000159174048 1026516989 /nfs/dbraw/zinc/51/69/89/1026516989.db2.gz RGFAYGDYZBWRPY-KRWDZBQOSA-N 1 3 334.504 3.625 20 0 EHADHO FC(F)Oc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192922163 1026639558 /nfs/dbraw/zinc/63/95/58/1026639558.db2.gz OBFNNYHKYCYEBI-QGZVFWFLSA-N 1 3 346.421 3.900 20 0 EHADHO Cc1nc2c(s1)[C@H](NCCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000122798247 1026733933 /nfs/dbraw/zinc/73/39/33/1026733933.db2.gz GWBJXHBVOBILDJ-GOSISDBHSA-N 1 3 341.524 3.867 20 0 EHADHO Cc1nc2c(s1)[C@H](NCCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000122798247 1026733940 /nfs/dbraw/zinc/73/39/40/1026733940.db2.gz GWBJXHBVOBILDJ-GOSISDBHSA-N 1 3 341.524 3.867 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000544034317 1026760294 /nfs/dbraw/zinc/76/02/94/1026760294.db2.gz VLOBDDIQBAUIBH-UHFFFAOYSA-N 1 3 342.531 3.977 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000513713300 1027252953 /nfs/dbraw/zinc/25/29/53/1027252953.db2.gz NGCDJNMBBKILGB-YESZJQIVSA-N 1 3 342.405 3.547 20 0 EHADHO CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420299132 1027449535 /nfs/dbraw/zinc/44/95/35/1027449535.db2.gz GJDHLMTXQYPPIV-YJBOKZPZSA-N 1 3 328.456 3.526 20 0 EHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000420341010 1027474017 /nfs/dbraw/zinc/47/40/17/1027474017.db2.gz NLUNGMZVZWIJIQ-FQEVSTJZSA-N 1 3 328.500 3.778 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597257 1027559785 /nfs/dbraw/zinc/55/97/85/1027559785.db2.gz RJOXRUQMNQZYCP-FQEVSTJZSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597257 1027559792 /nfs/dbraw/zinc/55/97/92/1027559792.db2.gz RJOXRUQMNQZYCP-FQEVSTJZSA-N 1 3 344.886 3.505 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277887651 1027621025 /nfs/dbraw/zinc/62/10/25/1027621025.db2.gz ZNSDAMPRLOUIDE-UHFFFAOYSA-N 1 3 329.410 3.654 20 0 EHADHO CCCCCOc1cc(CN2CCC(C[NH2+]C)CC2)ccc1OC ZINC000414668334 1027775869 /nfs/dbraw/zinc/77/58/69/1027775869.db2.gz IXVPSQZQZWLCML-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422739666 1027905227 /nfs/dbraw/zinc/90/52/27/1027905227.db2.gz LUMFQXQXBIHLGA-CZUORRHYSA-N 1 3 337.305 3.588 20 0 EHADHO Fc1cccc2c1CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422773373 1027930056 /nfs/dbraw/zinc/93/00/56/1027930056.db2.gz YNUJNYCRPMIVKW-ZJOUEHCJSA-N 1 3 338.426 3.659 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCO[C@@H](C)c1ccccc1 ZINC000422779707 1027937042 /nfs/dbraw/zinc/93/70/42/1027937042.db2.gz GJHCKKFIEPJUFB-LVCYWYKZSA-N 1 3 326.484 3.702 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422805984 1027955777 /nfs/dbraw/zinc/95/57/77/1027955777.db2.gz HLVFDFZZYUSOCW-QZTJIDSGSA-N 1 3 348.494 3.814 20 0 EHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)cs1 ZINC000422809050 1027960431 /nfs/dbraw/zinc/96/04/31/1027960431.db2.gz RFHOIYHKRKHYSP-DSIZOQBWSA-N 1 3 345.512 3.521 20 0 EHADHO [NH3+]CC1CCC(NCc2csc(CCc3ccccc3)n2)CC1 ZINC000422855115 1027989863 /nfs/dbraw/zinc/98/98/63/1027989863.db2.gz UWDBJFMGSYUONG-UHFFFAOYSA-N 1 3 329.513 3.535 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1csc2ccccc12 ZINC000422944447 1028082985 /nfs/dbraw/zinc/08/29/85/1028082985.db2.gz ZTZJBQNRHAVQLR-CYBMUJFWSA-N 1 3 325.481 3.957 20 0 EHADHO COc1ccc(OCCCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000152487445 1028087947 /nfs/dbraw/zinc/08/79/47/1028087947.db2.gz IMSWDUQUXGDRSK-UHFFFAOYSA-N 1 3 346.515 3.851 20 0 EHADHO COc1ccc(OCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000152487445 1028087969 /nfs/dbraw/zinc/08/79/69/1028087969.db2.gz IMSWDUQUXGDRSK-UHFFFAOYSA-N 1 3 346.515 3.851 20 0 EHADHO CCCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423070777 1028161483 /nfs/dbraw/zinc/16/14/83/1028161483.db2.gz NRCAZKNOBBKHCG-HNNXBMFYSA-N 1 3 327.472 3.797 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073900 1028162634 /nfs/dbraw/zinc/16/26/34/1028162634.db2.gz SOMURDBMSUYMGL-IVMMDQJWSA-N 1 3 342.314 3.550 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423053551 1028167114 /nfs/dbraw/zinc/16/71/14/1028167114.db2.gz AQNGSBWXQOTGOD-IAQYHMDHSA-N 1 3 330.369 3.593 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(C2CC2)cc1 ZINC000423077852 1028167325 /nfs/dbraw/zinc/16/73/25/1028167325.db2.gz MZTFDGDAFQPECZ-RBBKRZOGSA-N 1 3 334.463 3.910 20 0 EHADHO Cc1cc([C@H](C)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000502421332 1028207814 /nfs/dbraw/zinc/20/78/14/1028207814.db2.gz XVEVZQMDZJHGBB-BJLQDIEVSA-N 1 3 340.515 3.680 20 0 EHADHO Cc1cc([C@H](C)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421332 1028207830 /nfs/dbraw/zinc/20/78/30/1028207830.db2.gz XVEVZQMDZJHGBB-BJLQDIEVSA-N 1 3 340.515 3.680 20 0 EHADHO Brc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423143317 1028229642 /nfs/dbraw/zinc/22/96/42/1028229642.db2.gz WZQFJRQITQNWOK-ABWAJUOPSA-N 1 3 335.289 3.568 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423187420 1028258516 /nfs/dbraw/zinc/25/85/16/1028258516.db2.gz PJSHPDAMXITHGU-BMGDILEWSA-N 1 3 334.454 3.897 20 0 EHADHO CC[C@@H]1C[C@]1([NH2+]CCCN1CCN(C(C)C)CC1)c1cccc(C)c1 ZINC000502507854 1028272152 /nfs/dbraw/zinc/27/21/52/1028272152.db2.gz HKIYZAPWZUOOOR-IFMALSPDSA-N 1 3 343.559 3.626 20 0 EHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H](C)CN)nc1 ZINC000423309197 1028342466 /nfs/dbraw/zinc/34/24/66/1028342466.db2.gz PRXQPSIISCFLRO-MGPUTAFESA-N 1 3 345.918 3.636 20 0 EHADHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000423296412 1028353374 /nfs/dbraw/zinc/35/33/74/1028353374.db2.gz ZEAAHSNGHGIVKD-RDTXWAMCSA-N 1 3 326.440 3.718 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H](O)c1ccc(F)cc1 ZINC000237132119 1028437988 /nfs/dbraw/zinc/43/79/88/1028437988.db2.gz LAQIPLWAHCPDDR-FQEVSTJZSA-N 1 3 344.474 3.607 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H](O)c1ccc(F)cc1 ZINC000237132119 1028437993 /nfs/dbraw/zinc/43/79/93/1028437993.db2.gz LAQIPLWAHCPDDR-FQEVSTJZSA-N 1 3 344.474 3.607 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](CN[C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423474511 1028458122 /nfs/dbraw/zinc/45/81/22/1028458122.db2.gz PDMNPNSXQBLYIK-URKNILKWSA-N 1 3 331.410 3.556 20 0 EHADHO C[C@@H]1C[C@@H](CN(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753648 1028546594 /nfs/dbraw/zinc/54/65/94/1028546594.db2.gz MROJBXVHKCQMGV-ZRGWGRIASA-N 1 3 344.890 3.539 20 0 EHADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423780537 1028608341 /nfs/dbraw/zinc/60/83/41/1028608341.db2.gz WJXPIWVFRFCHJS-FQEVSTJZSA-N 1 3 343.515 3.561 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@](C)(O)c1ccsc1 ZINC000237132393 1028623979 /nfs/dbraw/zinc/62/39/79/1028623979.db2.gz HIAUNMIONULSGR-FQEVSTJZSA-N 1 3 346.540 3.703 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@](C)(O)c1ccsc1 ZINC000237132393 1028623984 /nfs/dbraw/zinc/62/39/84/1028623984.db2.gz HIAUNMIONULSGR-FQEVSTJZSA-N 1 3 346.540 3.703 20 0 EHADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2cccc(CO)c2)CC1 ZINC000270525153 1028683802 /nfs/dbraw/zinc/68/38/02/1028683802.db2.gz SQDUQTXFSIPRFG-GOSISDBHSA-N 1 3 338.495 3.803 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000245461550 1028713644 /nfs/dbraw/zinc/71/36/44/1028713644.db2.gz NBNVZPKOUSZZLK-RBSFLKMASA-N 1 3 326.431 3.505 20 0 EHADHO COCc1ccccc1/C=C(\C)C[NH2+]CCCN1CCC(C)CC1 ZINC000509677853 1028724943 /nfs/dbraw/zinc/72/49/43/1028724943.db2.gz BOOFZUPLPFSBBA-XDJHFCHBSA-N 1 3 330.516 3.948 20 0 EHADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1ncc(Br)cc1F ZINC000421868510 1028901450 /nfs/dbraw/zinc/90/14/50/1028901450.db2.gz CMEAHZOQMHFEAR-PKSQDBQZSA-N 1 3 344.272 3.507 20 0 EHADHO CCC(N)(CC)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414806777 1029241081 /nfs/dbraw/zinc/24/10/81/1029241081.db2.gz IGUIIUPRIWJYAR-UHFFFAOYSA-N 1 3 341.902 3.551 20 0 EHADHO CCCC[C@@H](C[NH3+])NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414814461 1029336135 /nfs/dbraw/zinc/33/61/35/1029336135.db2.gz NTHWGFIZQSZBFW-HNNXBMFYSA-N 1 3 341.902 3.551 20 0 EHADHO CN(CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261953049 1029537142 /nfs/dbraw/zinc/53/71/42/1029537142.db2.gz OFXWNVWUPHAMQF-UHFFFAOYSA-N 1 3 330.422 3.781 20 0 EHADHO C[N@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCNCC1 ZINC000261953049 1029537153 /nfs/dbraw/zinc/53/71/53/1029537153.db2.gz OFXWNVWUPHAMQF-UHFFFAOYSA-N 1 3 330.422 3.781 20 0 EHADHO C[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCNCC1 ZINC000261953049 1029537162 /nfs/dbraw/zinc/53/71/62/1029537162.db2.gz OFXWNVWUPHAMQF-UHFFFAOYSA-N 1 3 330.422 3.781 20 0 EHADHO CN(CCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000524971486 1029640888 /nfs/dbraw/zinc/64/08/88/1029640888.db2.gz OGHGBZJJVGMBMR-HNNXBMFYSA-N 1 3 344.421 3.748 20 0 EHADHO CN(CCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000524971486 1029640895 /nfs/dbraw/zinc/64/08/95/1029640895.db2.gz OGHGBZJJVGMBMR-HNNXBMFYSA-N 1 3 344.421 3.748 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2COC)[C@@H](C)C1 ZINC000508727224 1029836265 /nfs/dbraw/zinc/83/62/65/1029836265.db2.gz PBOKPVBYQLHPEF-VDKPFWJGSA-N 1 3 330.516 3.898 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2COC)[C@@H](C)C1 ZINC000508727224 1029836275 /nfs/dbraw/zinc/83/62/75/1029836275.db2.gz PBOKPVBYQLHPEF-VDKPFWJGSA-N 1 3 330.516 3.898 20 0 EHADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000583500625 1029962510 /nfs/dbraw/zinc/96/25/10/1029962510.db2.gz QYWRGBGWYIICMH-UKRRQHHQSA-N 1 3 337.305 3.832 20 0 EHADHO O[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC000090522322 1030133604 /nfs/dbraw/zinc/13/36/04/1030133604.db2.gz DUNDYKFPCXKHPF-FKBYEOEOSA-N 1 3 342.527 3.812 20 0 EHADHO CCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000453361481 1030137769 /nfs/dbraw/zinc/13/77/69/1030137769.db2.gz KCRLFIKNLBQPIA-PWRODBHTSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000453382868 1030163174 /nfs/dbraw/zinc/16/31/74/1030163174.db2.gz YOKRYNURWHZKDB-KOUNCHBCSA-N 1 3 335.495 3.984 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000650722596 1030195711 /nfs/dbraw/zinc/19/57/11/1030195711.db2.gz XORDHHUVYUEDPL-IXDOHACOSA-N 1 3 342.405 3.566 20 0 EHADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OC(C)C ZINC000092380970 1030436936 /nfs/dbraw/zinc/43/69/36/1030436936.db2.gz JLBZESOYBBXQIG-UHFFFAOYSA-N 1 3 334.504 3.646 20 0 EHADHO Cc1cc(C)c([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000482565162 1030542138 /nfs/dbraw/zinc/54/21/38/1030542138.db2.gz XEMXHOJHURZAIF-IBGZPJMESA-N 1 3 330.516 3.907 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000447934880 1030612117 /nfs/dbraw/zinc/61/21/17/1030612117.db2.gz BTLOTOHCXSAVRS-QFIPXVFZSA-N 1 3 349.522 3.996 20 0 EHADHO C[C@@H](N[C@@H]1CCc2c1cccc2O)c1cccc(OCC[NH+](C)C)c1 ZINC000130359501 1030728300 /nfs/dbraw/zinc/72/83/00/1030728300.db2.gz KGXBXANHQLDUHP-FOIQADDNSA-N 1 3 340.467 3.671 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@H](C)C1 ZINC000130600093 1030803121 /nfs/dbraw/zinc/80/31/21/1030803121.db2.gz ZTFNJHSVMSPTGB-DNVCBOLYSA-N 1 3 343.446 3.833 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000122968949 1030815364 /nfs/dbraw/zinc/81/53/64/1030815364.db2.gz VQWGMZBZFPMUFB-INIZCTEOSA-N 1 3 332.488 3.763 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3cccc(OC4CC4)c3F)C2)CC1 ZINC000668169485 1030835181 /nfs/dbraw/zinc/83/51/81/1030835181.db2.gz SJWLEKSODGWBIX-INIZCTEOSA-N 1 3 332.463 3.531 20 0 EHADHO C[C@H]1C[C@@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094146 1030984643 /nfs/dbraw/zinc/98/46/43/1030984643.db2.gz SCAIERHJYPMIHY-KBPBESRZSA-N 1 3 342.405 3.523 20 0 EHADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263817 1031176315 /nfs/dbraw/zinc/17/63/15/1031176315.db2.gz UELDRLMSUPLTSY-ZVDOUQERSA-N 1 3 344.543 3.939 20 0 EHADHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000163267593 1031366637 /nfs/dbraw/zinc/36/66/37/1031366637.db2.gz NBRZMTHXYYIIDJ-GHTZIAJQSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993768 1031403339 /nfs/dbraw/zinc/40/33/39/1031403339.db2.gz IDMXBCUDWMHIGY-BBRMVZONSA-N 1 3 337.305 3.644 20 0 EHADHO CCN1CC[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976253 1031413346 /nfs/dbraw/zinc/41/33/46/1031413346.db2.gz ONSGDEJNGMNYEA-KBPBESRZSA-N 1 3 328.859 3.663 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976253 1031413355 /nfs/dbraw/zinc/41/33/55/1031413355.db2.gz ONSGDEJNGMNYEA-KBPBESRZSA-N 1 3 328.859 3.663 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666995534 1031443199 /nfs/dbraw/zinc/44/31/99/1031443199.db2.gz QJUKEOJRCXFNPZ-LSDHHAIUSA-N 1 3 349.906 3.630 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000178037933 1031611453 /nfs/dbraw/zinc/61/14/53/1031611453.db2.gz JBLSHYQCOXXNEA-KKUMJFAQSA-N 1 3 326.431 3.505 20 0 EHADHO C[C@@H]1C[C@@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@@H+]1C ZINC000178073030 1031617217 /nfs/dbraw/zinc/61/72/17/1031617217.db2.gz CHRFQHGVUXLTJD-XLIONFOSSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@@H]1C[C@@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073030 1031617228 /nfs/dbraw/zinc/61/72/28/1031617228.db2.gz CHRFQHGVUXLTJD-XLIONFOSSA-N 1 3 348.494 3.657 20 0 EHADHO COc1cc2ccc([C@@H](C)[NH2+]CCCN3CCCC3)cc2cc1OC ZINC000657825475 1031642801 /nfs/dbraw/zinc/64/28/01/1031642801.db2.gz WXLDKOZVAROSGT-MRXNPFEDSA-N 1 3 342.483 3.994 20 0 EHADHO c1c[nH]c([C@@H]2CCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000127422365 1031979173 /nfs/dbraw/zinc/97/91/73/1031979173.db2.gz NJPXHIGROBESGK-NRFANRHFSA-N 1 3 339.483 3.826 20 0 EHADHO CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)c1cccnc1 ZINC000685469968 1033366390 /nfs/dbraw/zinc/36/63/90/1033366390.db2.gz ZGNHUTWCYRLLLP-KRWDZBQOSA-N 1 3 327.472 3.605 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000685470823 1033370495 /nfs/dbraw/zinc/37/04/95/1033370495.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470823 1033370511 /nfs/dbraw/zinc/37/05/11/1033370511.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000685470823 1033370523 /nfs/dbraw/zinc/37/05/23/1033370523.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000685470823 1033370536 /nfs/dbraw/zinc/37/05/36/1033370536.db2.gz UMMDUOKUQRHVOT-WBVHZDCISA-N 1 3 326.406 3.930 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000685665218 1033716021 /nfs/dbraw/zinc/71/60/21/1033716021.db2.gz OINCMFZFGPYXJQ-QUCCMNQESA-N 1 3 330.516 3.693 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4COC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000657970077 1033773824 /nfs/dbraw/zinc/77/38/24/1033773824.db2.gz ANIKYCIFMRIEGU-BURNTYAHSA-N 1 3 340.511 3.588 20 0 EHADHO COC1CC(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000658054860 1033885719 /nfs/dbraw/zinc/88/57/19/1033885719.db2.gz FGQABJJHLACBNB-PYCJISIWSA-N 1 3 342.527 3.692 20 0 EHADHO CC(C)(C)OC(=O)CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000595719189 1033963428 /nfs/dbraw/zinc/96/34/28/1033963428.db2.gz OZCMXQRZKTVOKM-UHFFFAOYSA-N 1 3 338.536 3.696 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@@H](C3CC3)C3CCCC3)CC2)ccn1 ZINC000658161858 1034022811 /nfs/dbraw/zinc/02/28/11/1034022811.db2.gz AYEUHOYSVYFMOA-OAQYLSRUSA-N 1 3 327.516 3.852 20 0 EHADHO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164164 1034026700 /nfs/dbraw/zinc/02/67/00/1034026700.db2.gz CBCVDJZXRWHPDX-UXHICEINSA-N 1 3 333.495 3.802 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2ccc(F)cn2)C[N@@H+]1Cc1ccccc1 ZINC000529542818 1034147960 /nfs/dbraw/zinc/14/79/60/1034147960.db2.gz LEVIZTOHMZJANB-SJLPKXTDSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542818 1034147968 /nfs/dbraw/zinc/14/79/68/1034147968.db2.gz LEVIZTOHMZJANB-SJLPKXTDSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2ccc(F)cn2)C[N@@H+]1Cc1ccccc1 ZINC000529542816 1034148517 /nfs/dbraw/zinc/14/85/17/1034148517.db2.gz LEVIZTOHMZJANB-FUHWJXTLSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542816 1034148522 /nfs/dbraw/zinc/14/85/22/1034148522.db2.gz LEVIZTOHMZJANB-FUHWJXTLSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C[C@@H](C)O1 ZINC000450342691 1034149153 /nfs/dbraw/zinc/14/91/53/1034149153.db2.gz TXYFULZCTDHKQN-JFIYKMOQSA-N 1 3 344.490 3.633 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c[nH]nc2c1 ZINC000509453412 1034521877 /nfs/dbraw/zinc/52/18/77/1034521877.db2.gz MBHMASSGDDUPJX-NRFANRHFSA-N 1 3 348.494 3.953 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c[nH]nc2c1 ZINC000509453412 1034521883 /nfs/dbraw/zinc/52/18/83/1034521883.db2.gz MBHMASSGDDUPJX-NRFANRHFSA-N 1 3 348.494 3.953 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000062252904 1034784432 /nfs/dbraw/zinc/78/44/32/1034784432.db2.gz GEBZBVITVOKBGZ-GJZGRUSLSA-N 1 3 344.421 3.684 20 0 EHADHO CCC1(CN[C@@H](C)c2ccn(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000414105531 1035526155 /nfs/dbraw/zinc/52/61/55/1035526155.db2.gz PPCBUKCDCUMZBB-SFHVURJKSA-N 1 3 340.515 3.763 20 0 EHADHO CC[N@@H+]1CC[C@H](NCCOCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000540660569 1035548728 /nfs/dbraw/zinc/54/87/28/1035548728.db2.gz OPTMZWCIHXUHFA-DYVFJYSZSA-N 1 3 345.314 3.830 20 0 EHADHO CC[N@H+]1CC[C@H](NCCOCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000540660569 1035548743 /nfs/dbraw/zinc/54/87/43/1035548743.db2.gz OPTMZWCIHXUHFA-DYVFJYSZSA-N 1 3 345.314 3.830 20 0 EHADHO C[C@H](CCc1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709921 1035980695 /nfs/dbraw/zinc/98/06/95/1035980695.db2.gz GFEUSKODTRRXAB-AQNXPRMDSA-N 1 3 344.543 3.829 20 0 EHADHO Fc1ccc(CC[NH+]2CCC(N[C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000414326995 1036706347 /nfs/dbraw/zinc/70/63/47/1036706347.db2.gz AWLHUTKRZSBZDA-RTBURBONSA-N 1 3 328.431 3.571 20 0 EHADHO c1nc2ccccc2n1C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168396885 1036717054 /nfs/dbraw/zinc/71/70/54/1036717054.db2.gz JKTUGCKVLYGFIJ-UHFFFAOYSA-N 1 3 338.499 3.548 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000237668679 1036847178 /nfs/dbraw/zinc/84/71/78/1036847178.db2.gz COOXIYNFJKSASS-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO COC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310994646 1036938966 /nfs/dbraw/zinc/93/89/66/1036938966.db2.gz TXTJEYPFISFATE-BWAGFHJFSA-N 1 3 338.495 3.874 20 0 EHADHO CCCCN1CCCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000462746799 1037360902 /nfs/dbraw/zinc/36/09/02/1037360902.db2.gz VYTZERPHWIVVLY-QFIPXVFZSA-N 1 3 343.559 3.895 20 0 EHADHO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)CN(C)C ZINC000491597514 1037579083 /nfs/dbraw/zinc/57/90/83/1037579083.db2.gz WGWIMBNZYAIDJS-INIZCTEOSA-N 1 3 330.447 3.692 20 0 EHADHO CC(C)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463136878 1037799891 /nfs/dbraw/zinc/79/98/91/1037799891.db2.gz HTAQXIUKMMIWCO-SESVDKBCSA-N 1 3 331.548 3.605 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000538763755 1038529201 /nfs/dbraw/zinc/52/92/01/1038529201.db2.gz UHZXNFHILUTCKQ-HZPDHXFCSA-N 1 3 336.545 3.768 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccccn2)ccc1OC ZINC000182188140 1038557249 /nfs/dbraw/zinc/55/72/49/1038557249.db2.gz GCNPCDQQIBOPDU-QGZVFWFLSA-N 1 3 341.499 3.825 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1F ZINC000668817848 1038790597 /nfs/dbraw/zinc/79/05/97/1038790597.db2.gz AWBAVPKUYWCROT-LPHOPBHVSA-N 1 3 348.506 3.725 20 0 EHADHO Cc1ccc(CNC[C@H](C)C[NH+]2CCCCC2)c(-c2ccnn2C)c1 ZINC000584577936 1038877010 /nfs/dbraw/zinc/87/70/10/1038877010.db2.gz AFBFKNGEVZRTGA-SFHVURJKSA-N 1 3 340.515 3.607 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@](C)(O)C2CCCCC2)CC1 ZINC000477867454 1038977531 /nfs/dbraw/zinc/97/75/31/1038977531.db2.gz UBHFMIRDSJJEPR-QMMLZNLJSA-N 1 3 336.564 3.950 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709011 1039763542 /nfs/dbraw/zinc/76/35/42/1039763542.db2.gz RADKRSDYXVMZRI-MAUKXSAKSA-N 1 3 327.497 3.745 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667709011 1039763558 /nfs/dbraw/zinc/76/35/58/1039763558.db2.gz RADKRSDYXVMZRI-MAUKXSAKSA-N 1 3 327.497 3.745 20 0 EHADHO CCN(CC)c1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924721404 1040228738 /nfs/dbraw/zinc/22/87/38/1040228738.db2.gz FRFNOMPLTXFVHQ-KRWDZBQOSA-N 1 3 340.515 3.840 20 0 EHADHO COc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479463037 1040262051 /nfs/dbraw/zinc/26/20/51/1040262051.db2.gz HUYMYWWJNPKOCO-GHTZIAJQSA-N 1 3 336.479 3.794 20 0 EHADHO COc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463037 1040262070 /nfs/dbraw/zinc/26/20/70/1040262070.db2.gz HUYMYWWJNPKOCO-GHTZIAJQSA-N 1 3 336.479 3.794 20 0 EHADHO C[C@H](c1ccccc1Br)N1CCC(C[NH+](C)C)CC1 ZINC000480997085 1040262091 /nfs/dbraw/zinc/26/20/91/1040262091.db2.gz HMDPBHYRCWPQKY-CYBMUJFWSA-N 1 3 325.294 3.784 20 0 EHADHO C[N@H+](CCCNCc1cc2ccc(F)cc2[nH]1)Cc1ccccc1 ZINC000486695069 1040346103 /nfs/dbraw/zinc/34/61/03/1040346103.db2.gz FTQOTSJFRRILIU-UHFFFAOYSA-N 1 3 325.431 3.919 20 0 EHADHO C[N@@H+](CCCNCc1cc2ccc(F)cc2[nH]1)Cc1ccccc1 ZINC000486695069 1040346114 /nfs/dbraw/zinc/34/61/14/1040346114.db2.gz FTQOTSJFRRILIU-UHFFFAOYSA-N 1 3 325.431 3.919 20 0 EHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1OCC[NH+](C)C)[C@H](C)C2 ZINC000490121138 1040362934 /nfs/dbraw/zinc/36/29/34/1040362934.db2.gz ZAZMSIIAHZNZGH-VGOFRKELSA-N 1 3 338.495 3.959 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CC4)[C@H]3C2)cc1 ZINC000512648474 1040388237 /nfs/dbraw/zinc/38/82/37/1040388237.db2.gz NIUFBQVEQHBOCU-FDFHNCONSA-N 1 3 342.527 3.693 20 0 EHADHO CC[C@H](CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663216 1040426428 /nfs/dbraw/zinc/42/64/28/1040426428.db2.gz IFDZNJSXQLJNLW-QHAWAJNXSA-N 1 3 343.559 3.671 20 0 EHADHO CC[C@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663216 1040426431 /nfs/dbraw/zinc/42/64/31/1040426431.db2.gz IFDZNJSXQLJNLW-QHAWAJNXSA-N 1 3 343.559 3.671 20 0 EHADHO Clc1ccccc1C1([NH2+]C2CCN(CC3CC3)CC2)CCOCC1 ZINC001168365782 1040704035 /nfs/dbraw/zinc/70/40/35/1040704035.db2.gz WTOQCFIZKGMEJQ-UHFFFAOYSA-N 1 3 348.918 3.810 20 0 EHADHO C[NH+](C)CCCC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759853555 1041158478 /nfs/dbraw/zinc/15/84/78/1041158478.db2.gz WFIJCWDTLZLCLF-SFHVURJKSA-N 1 3 342.886 3.566 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccccc3Br)C2)CC1 ZINC000555803566 1041171011 /nfs/dbraw/zinc/17/10/11/1041171011.db2.gz ZOEAZEGPVCAXRF-HNNXBMFYSA-N 1 3 337.305 3.613 20 0 EHADHO C[N@@H+](Cc1cc2cnccc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000651639282 1041826930 /nfs/dbraw/zinc/82/69/30/1041826930.db2.gz YCGOXOBVSLDLCM-GOSISDBHSA-N 1 3 335.451 3.782 20 0 EHADHO C[N@H+](Cc1cc2cnccc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000651639282 1041826932 /nfs/dbraw/zinc/82/69/32/1041826932.db2.gz YCGOXOBVSLDLCM-GOSISDBHSA-N 1 3 335.451 3.782 20 0 EHADHO COC(=O)c1coc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000278848039 1042298048 /nfs/dbraw/zinc/29/80/48/1042298048.db2.gz VKUPRLDUFKXYGL-ZLPCBKJTSA-N 1 3 348.487 3.760 20 0 EHADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662150789 1042546456 /nfs/dbraw/zinc/54/64/56/1042546456.db2.gz BBZLSCOQUSOREG-OXJNMPFZSA-N 1 3 330.516 3.576 20 0 EHADHO CN(Cc1ccc(OC(F)F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662249960 1042633920 /nfs/dbraw/zinc/63/39/20/1042633920.db2.gz WRXAMKJNPPNOAD-UHFFFAOYSA-N 1 3 332.394 3.566 20 0 EHADHO CC(C)c1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313431 1042682718 /nfs/dbraw/zinc/68/27/18/1042682718.db2.gz NRJGADNCKNKLJO-VQIMIIECSA-N 1 3 331.504 3.588 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925778169 1042905970 /nfs/dbraw/zinc/90/59/70/1042905970.db2.gz IHCSEVZEEOTRPQ-JSGCOSHPSA-N 1 3 347.247 3.735 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107211 1043259085 /nfs/dbraw/zinc/25/90/85/1043259085.db2.gz QGUMFBICEQTBSO-NEPJUHHUSA-N 1 3 331.323 3.811 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCOCC2)ccc1OC ZINC000183348075 1125536476 /nfs/dbraw/zinc/53/64/76/1125536476.db2.gz NSNGFBVZKHKKBW-APWZRJJASA-N 1 3 334.504 3.757 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374973 1126938687 /nfs/dbraw/zinc/93/86/87/1126938687.db2.gz XQIHKVPDSXQYPB-KBPBESRZSA-N 1 3 344.421 3.935 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374973 1126938691 /nfs/dbraw/zinc/93/86/91/1126938691.db2.gz XQIHKVPDSXQYPB-KBPBESRZSA-N 1 3 344.421 3.935 20 0 EHADHO CN1CC[C@@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497117 1126971137 /nfs/dbraw/zinc/97/11/37/1126971137.db2.gz XYNKHALDDYILOE-TZIWHRDSSA-N 1 3 329.532 3.504 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2C)C1 ZINC000623866939 1127206481 /nfs/dbraw/zinc/20/64/81/1127206481.db2.gz KICVBEINMNVQHI-KGLIPLIRSA-N 1 3 325.294 3.750 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000623899068 1127209531 /nfs/dbraw/zinc/20/95/31/1127209531.db2.gz ZPSPWTDSNJMJDE-KCQAQPDRSA-N 1 3 325.294 3.891 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000623899068 1127209532 /nfs/dbraw/zinc/20/95/32/1127209532.db2.gz ZPSPWTDSNJMJDE-KCQAQPDRSA-N 1 3 325.294 3.891 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000624120901 1127255234 /nfs/dbraw/zinc/25/52/34/1127255234.db2.gz JSHKCJXBDIVCPG-KBPBESRZSA-N 1 3 330.394 3.968 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624121797 1127255750 /nfs/dbraw/zinc/25/57/50/1127255750.db2.gz DFAJYFUMVMKESU-KDOFPFPSSA-N 1 3 331.460 3.552 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000180978282 1127262722 /nfs/dbraw/zinc/26/27/22/1127262722.db2.gz UCGGTQGAOIZSMW-UKRRQHHQSA-N 1 3 330.394 3.763 20 0 EHADHO COc1ccccc1CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185687915 1127430110 /nfs/dbraw/zinc/43/01/10/1127430110.db2.gz WNHJMGDCJSQNJP-HKUYNNGSSA-N 1 3 330.516 3.870 20 0 EHADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000765238849 1127587252 /nfs/dbraw/zinc/58/72/52/1127587252.db2.gz MKMSRKXIBAEGDO-QHCPKHFHSA-N 1 3 349.522 3.520 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000624308812 1127891577 /nfs/dbraw/zinc/89/15/77/1127891577.db2.gz YGPJOCIQXWYFBU-IKGGRYGDSA-N 1 3 326.406 3.754 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000624308812 1127891585 /nfs/dbraw/zinc/89/15/85/1127891585.db2.gz YGPJOCIQXWYFBU-IKGGRYGDSA-N 1 3 326.406 3.754 20 0 EHADHO CCCCN(C)CCC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168585321 1128125593 /nfs/dbraw/zinc/12/55/93/1128125593.db2.gz HNXLTKMOPPLJNC-UYAOXDASSA-N 1 3 334.504 3.627 20 0 EHADHO COc1ccc([C@@H]2C[C@H](N3CCC([NH3+])(CC4CC4)CC3)CCO2)cc1 ZINC001168616474 1128438186 /nfs/dbraw/zinc/43/81/86/1128438186.db2.gz NIJBGENIQVNYBQ-QUCCMNQESA-N 1 3 344.499 3.509 20 0 EHADHO CC[C@H]1CCC[C@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000542689869 1128540214 /nfs/dbraw/zinc/54/02/14/1128540214.db2.gz YFDGWICZZWIWSX-PMACEKPBSA-N 1 3 335.580 3.552 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428840016 1128705392 /nfs/dbraw/zinc/70/53/92/1128705392.db2.gz NFMHVHYRZHDWJG-FQEVSTJZSA-N 1 3 331.548 3.874 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428840016 1128705394 /nfs/dbraw/zinc/70/53/94/1128705394.db2.gz NFMHVHYRZHDWJG-FQEVSTJZSA-N 1 3 331.548 3.874 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC001648814379 1120046781 /nfs/dbraw/zinc/04/67/81/1120046781.db2.gz KKICHGYNLBZVMP-DENIHFKCSA-N 1 3 343.559 3.740 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC001648814639 1120046792 /nfs/dbraw/zinc/04/67/92/1120046792.db2.gz NOMZFHKAUGEGIW-UHFFFAOYSA-N 1 3 345.575 3.842 20 0 EHADHO Cc1ccccc1[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC000494980720 1120922100 /nfs/dbraw/zinc/92/21/00/1120922100.db2.gz ZZFWIERHWAIVME-NRFANRHFSA-N 1 3 343.559 3.842 20 0 EHADHO c1cc2c(cccc2C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)[nH]1 ZINC000236738831 1121462425 /nfs/dbraw/zinc/46/24/25/1121462425.db2.gz QNOLMILKYSQKRF-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2c(cccc2CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000236738831 1121462427 /nfs/dbraw/zinc/46/24/27/1121462427.db2.gz QNOLMILKYSQKRF-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2c(cccc2CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000236738831 1121462429 /nfs/dbraw/zinc/46/24/29/1121462429.db2.gz QNOLMILKYSQKRF-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO COc1c(CN(C)CCC2CC[NH2+]CC2)ccc(Cl)c1Cl ZINC001235718093 1121667656 /nfs/dbraw/zinc/66/76/56/1121667656.db2.gz UJVPLWOFGXZXRG-UHFFFAOYSA-N 1 3 331.287 3.824 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cs1 ZINC000397586126 1121805425 /nfs/dbraw/zinc/80/54/25/1121805425.db2.gz JCCDFELHROSPHK-QGZVFWFLSA-N 1 3 344.524 3.734 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000496267191 1122034360 /nfs/dbraw/zinc/03/43/60/1122034360.db2.gz XLPFCQIKDQDPTN-GJZGRUSLSA-N 1 3 339.439 3.514 20 0 EHADHO CCc1ccc(CNCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000130345872 1122940486 /nfs/dbraw/zinc/94/04/86/1122940486.db2.gz KPDACISRXUWCII-IAGOWNOFSA-N 1 3 342.483 3.741 20 0 EHADHO CCc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000130345872 1122940492 /nfs/dbraw/zinc/94/04/92/1122940492.db2.gz KPDACISRXUWCII-IAGOWNOFSA-N 1 3 342.483 3.741 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000556590168 1123045316 /nfs/dbraw/zinc/04/53/16/1123045316.db2.gz ZWBWUOISKOEXQG-DUXKGJEZSA-N 1 3 330.516 3.899 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)c1OC ZINC000556862870 1123152893 /nfs/dbraw/zinc/15/28/93/1123152893.db2.gz FJGXQHWEGDSGAD-IRXDYDNUSA-N 1 3 348.531 3.655 20 0 EHADHO CCN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245775915 1123950126 /nfs/dbraw/zinc/95/01/26/1123950126.db2.gz YAZKPAPVRGQGPF-KJJMTIBFSA-N 1 3 341.543 3.646 20 0 EHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000617014356 1124077522 /nfs/dbraw/zinc/07/75/22/1124077522.db2.gz IABUAGKONJDSST-LJQANCHMSA-N 1 3 345.531 3.521 20 0 EHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000617014356 1124077525 /nfs/dbraw/zinc/07/75/25/1124077525.db2.gz IABUAGKONJDSST-LJQANCHMSA-N 1 3 345.531 3.521 20 0 EHADHO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183097062 1125443855 /nfs/dbraw/zinc/44/38/55/1125443855.db2.gz QBGSEGJPPIHJLX-QZTJIDSGSA-N 1 3 348.531 3.740 20 0 EHADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000657611962 1129443769 /nfs/dbraw/zinc/44/37/69/1129443769.db2.gz GJGFHKFVNRHVDF-UHFFFAOYSA-N 1 3 327.447 3.531 20 0 EHADHO C[C@H](c1ccc(Cl)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000347850192 1129923876 /nfs/dbraw/zinc/92/38/76/1129923876.db2.gz FPNCMLCQOCORFA-MRXNPFEDSA-N 1 3 336.907 3.978 20 0 EHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172351240 1130126495 /nfs/dbraw/zinc/12/64/95/1130126495.db2.gz BTUDGAVORZOMIG-UONOGXRCSA-N 1 3 330.394 3.920 20 0 EHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172351240 1130126497 /nfs/dbraw/zinc/12/64/97/1130126497.db2.gz BTUDGAVORZOMIG-UONOGXRCSA-N 1 3 330.394 3.920 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000675751912 1130465007 /nfs/dbraw/zinc/46/50/07/1130465007.db2.gz GICVILLEJITLCM-LSTHTHJFSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675751912 1130465010 /nfs/dbraw/zinc/46/50/10/1130465010.db2.gz GICVILLEJITLCM-LSTHTHJFSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)OCC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172454187 1131748608 /nfs/dbraw/zinc/74/86/08/1131748608.db2.gz JBPIIGFWWOOANU-LJQANCHMSA-N 1 3 330.516 3.788 20 0 EHADHO CC1(C)CC([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)CC(C)(C)O1 ZINC001172654150 1131801355 /nfs/dbraw/zinc/80/13/55/1131801355.db2.gz YTMWARNIAJOXSB-UHFFFAOYSA-N 1 3 348.506 3.898 20 0 EHADHO C(C[NH+]1CCCC1)N1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173121271 1131973921 /nfs/dbraw/zinc/97/39/21/1131973921.db2.gz OBOANVJFLWMCPB-UHFFFAOYSA-N 1 3 333.564 3.593 20 0 EHADHO N[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@@H]1F ZINC001206212589 1132127281 /nfs/dbraw/zinc/12/72/81/1132127281.db2.gz SDECJORSPDJGCE-DLBZAZTESA-N 1 3 333.838 3.663 20 0 EHADHO N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@@H]1F ZINC001206212589 1132127283 /nfs/dbraw/zinc/12/72/83/1132127283.db2.gz SDECJORSPDJGCE-DLBZAZTESA-N 1 3 333.838 3.663 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169118030 1132662007 /nfs/dbraw/zinc/66/20/07/1132662007.db2.gz CCICAXVGOGYKLJ-NNZMDNLPSA-N 1 3 334.891 3.561 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169118030 1132662012 /nfs/dbraw/zinc/66/20/12/1132662012.db2.gz CCICAXVGOGYKLJ-NNZMDNLPSA-N 1 3 334.891 3.561 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Br)c3)CC1)C2 ZINC001169108217 1132670391 /nfs/dbraw/zinc/67/03/91/1132670391.db2.gz PJWSDIPYRKJSKI-PHZGNYQRSA-N 1 3 335.289 3.653 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Br)cc3)CC1)C2 ZINC001169109167 1132671100 /nfs/dbraw/zinc/67/11/00/1132671100.db2.gz ZFXGVEOQUBTJHN-MUJYYYPQSA-N 1 3 335.289 3.653 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)OCc1cc(Cl)ccc13)C2 ZINC001169155327 1132680488 /nfs/dbraw/zinc/68/04/88/1132680488.db2.gz NDXRLVQBIADUBM-PIIMJCKOSA-N 1 3 346.902 3.787 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)OCc1cc(Cl)ccc13)C2 ZINC001169155327 1132680494 /nfs/dbraw/zinc/68/04/94/1132680494.db2.gz NDXRLVQBIADUBM-PIIMJCKOSA-N 1 3 346.902 3.787 20 0 EHADHO C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001176144464 1132844481 /nfs/dbraw/zinc/84/44/81/1132844481.db2.gz FXCQSJLQRRZAAR-QGZVFWFLSA-N 1 3 338.499 3.590 20 0 EHADHO Cc1ccc2ncc(C[NH2+]CC[C@H](C)N(C)Cc3ccccc3)n2c1 ZINC001177961294 1133122236 /nfs/dbraw/zinc/12/22/36/1133122236.db2.gz JDQUVMPYNAZRIJ-SFHVURJKSA-N 1 3 336.483 3.643 20 0 EHADHO Cn1cccc1CN1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001203258986 1133213871 /nfs/dbraw/zinc/21/38/71/1133213871.db2.gz CHRTYYJLBALTQX-UHFFFAOYSA-N 1 3 329.513 3.575 20 0 EHADHO Cn1cccc1CN1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001203258986 1133213877 /nfs/dbraw/zinc/21/38/77/1133213877.db2.gz CHRTYYJLBALTQX-UHFFFAOYSA-N 1 3 329.513 3.575 20 0 EHADHO C[N@@H+](Cc1ccc2c(c1)COC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769402176 1133276830 /nfs/dbraw/zinc/27/68/30/1133276830.db2.gz CSXSPNKPLQAAQK-FQEVSTJZSA-N 1 3 336.479 3.671 20 0 EHADHO C[N@H+](Cc1ccc2c(c1)COC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769402176 1133276832 /nfs/dbraw/zinc/27/68/32/1133276832.db2.gz CSXSPNKPLQAAQK-FQEVSTJZSA-N 1 3 336.479 3.671 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001180811905 1133418444 /nfs/dbraw/zinc/41/84/44/1133418444.db2.gz UJZKEBCBSGRXIM-QZTJIDSGSA-N 1 3 345.531 3.820 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001180811905 1133418451 /nfs/dbraw/zinc/41/84/51/1133418451.db2.gz UJZKEBCBSGRXIM-QZTJIDSGSA-N 1 3 345.531 3.820 20 0 EHADHO CC(C)P(CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001183575933 1133828687 /nfs/dbraw/zinc/82/86/87/1133828687.db2.gz RWFOBQULCSGCBY-LJQANCHMSA-N 1 3 348.471 3.923 20 0 EHADHO CC(C)P(CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001183575933 1133828692 /nfs/dbraw/zinc/82/86/92/1133828692.db2.gz RWFOBQULCSGCBY-LJQANCHMSA-N 1 3 348.471 3.923 20 0 EHADHO Cc1ccc(F)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205638430 1135158552 /nfs/dbraw/zinc/15/85/52/1135158552.db2.gz NVVLSVHVSFPXFW-WCQYABFASA-N 1 3 343.284 3.703 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626677 1135351790 /nfs/dbraw/zinc/35/17/90/1135351790.db2.gz DFZKDXAMSBZXIQ-JHVJFLLYSA-N 1 3 341.499 3.586 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC2=CCCOC2)cc1CN1CCCCC1 ZINC000806177894 1135411619 /nfs/dbraw/zinc/41/16/19/1135411619.db2.gz MGHAXOAUWOJKBU-KRWDZBQOSA-N 1 3 344.499 3.678 20 0 EHADHO CC(C)[NH+]1CCC(NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809755359 1135886976 /nfs/dbraw/zinc/88/69/76/1135886976.db2.gz PRVOJTLMUXRSLH-QGZVFWFLSA-N 1 3 345.314 3.879 20 0 EHADHO FC(F)SCc1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000850421544 1136255679 /nfs/dbraw/zinc/25/56/79/1136255679.db2.gz YLDIENHNAFSITM-UHFFFAOYSA-N 1 3 344.471 3.947 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1CN1CCCCC1 ZINC000850480957 1136266983 /nfs/dbraw/zinc/26/69/83/1136266983.db2.gz DBEOIXPPHRDJPA-APWZRJJASA-N 1 3 346.515 3.899 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561475 1136795491 /nfs/dbraw/zinc/79/54/91/1136795491.db2.gz VRFQUTCSORFYJW-NQIIRXRSSA-N 1 3 343.515 3.731 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561475 1136795493 /nfs/dbraw/zinc/79/54/93/1136795493.db2.gz VRFQUTCSORFYJW-NQIIRXRSSA-N 1 3 343.515 3.731 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561477 1136795538 /nfs/dbraw/zinc/79/55/38/1136795538.db2.gz VRFQUTCSORFYJW-RXVVDRJESA-N 1 3 343.515 3.731 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561477 1136795539 /nfs/dbraw/zinc/79/55/39/1136795539.db2.gz VRFQUTCSORFYJW-RXVVDRJESA-N 1 3 343.515 3.731 20 0 EHADHO [NH3+][C@@H]1C[C@H](NCCCCC(=O)OCc2ccccc2)c2ccccc21 ZINC000817922339 1136846131 /nfs/dbraw/zinc/84/61/31/1136846131.db2.gz UUBZVYJRWDJXIV-UXHICEINSA-N 1 3 338.451 3.635 20 0 EHADHO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)ccc1SC(F)F ZINC000818614717 1136886018 /nfs/dbraw/zinc/88/60/18/1136886018.db2.gz FHODMAGYCGSFNC-RAIGVLPGSA-N 1 3 330.444 3.930 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1(C)C ZINC000858188663 1136947868 /nfs/dbraw/zinc/94/78/68/1136947868.db2.gz WZEVWVRNWUHLSR-KRWDZBQOSA-N 1 3 347.503 3.996 20 0 EHADHO COCc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccc1F ZINC000820810726 1137005170 /nfs/dbraw/zinc/00/51/70/1137005170.db2.gz CUYKRRRNDAUYQH-OAHLLOKOSA-N 1 3 330.447 3.885 20 0 EHADHO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CC2 ZINC001171302616 1137405485 /nfs/dbraw/zinc/40/54/85/1137405485.db2.gz WMUYIKYGQLRQPX-ZNMIVQPWSA-N 1 3 336.907 3.668 20 0 EHADHO CCOC(=O)[C@@]1(C)CCCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171631205 1137499739 /nfs/dbraw/zinc/49/97/39/1137499739.db2.gz GHIHLAPUGLPNCX-FQEVSTJZSA-N 1 3 338.536 3.693 20 0 EHADHO CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171631205 1137499740 /nfs/dbraw/zinc/49/97/40/1137499740.db2.gz GHIHLAPUGLPNCX-FQEVSTJZSA-N 1 3 338.536 3.693 20 0 EHADHO CCCCN(C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171910082 1137517904 /nfs/dbraw/zinc/51/79/04/1137517904.db2.gz DWCNCCWSDQEHSB-UHFFFAOYSA-N 1 3 326.525 3.599 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962187 1137519516 /nfs/dbraw/zinc/51/95/16/1137519516.db2.gz BUHZPGLDYBMPIC-QUCCMNQESA-N 1 3 329.532 3.504 20 0 EHADHO CC1(C)C[C@H](NCCOC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977227 1137525096 /nfs/dbraw/zinc/52/50/96/1137525096.db2.gz ZFVAJFBMQQCOGM-LJQANCHMSA-N 1 3 330.516 3.978 20 0 EHADHO CC1(C)C[C@H](NCCOC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977227 1137525097 /nfs/dbraw/zinc/52/50/97/1137525097.db2.gz ZFVAJFBMQQCOGM-LJQANCHMSA-N 1 3 330.516 3.978 20 0 EHADHO CC1(C)C[C@H](NCCc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC001171981273 1137526620 /nfs/dbraw/zinc/52/66/20/1137526620.db2.gz BXGZQKNMJQVYRR-QGZVFWFLSA-N 1 3 329.513 3.718 20 0 EHADHO CC1(C)C[C@H](NCCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001171981273 1137526622 /nfs/dbraw/zinc/52/66/22/1137526622.db2.gz BXGZQKNMJQVYRR-QGZVFWFLSA-N 1 3 329.513 3.718 20 0 EHADHO CCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074746 1137530044 /nfs/dbraw/zinc/53/00/44/1137530044.db2.gz LZSYDXBIDOJKSK-ZBYYUNFXSA-N 1 3 341.543 3.600 20 0 EHADHO CCCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074746 1137530045 /nfs/dbraw/zinc/53/00/45/1137530045.db2.gz LZSYDXBIDOJKSK-ZBYYUNFXSA-N 1 3 341.543 3.600 20 0 EHADHO CN1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1(C)C ZINC001172082077 1137531313 /nfs/dbraw/zinc/53/13/13/1137531313.db2.gz JGMDIBZVFIIJLB-AERCQKQUSA-N 1 3 341.543 3.598 20 0 EHADHO CN1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1(C)C ZINC001172082077 1137531315 /nfs/dbraw/zinc/53/13/15/1137531315.db2.gz JGMDIBZVFIIJLB-AERCQKQUSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC001172107991 1137536838 /nfs/dbraw/zinc/53/68/38/1137536838.db2.gz NFTFBPJFMHRJKB-BLCKVISQSA-N 1 3 341.543 3.644 20 0 EHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172327413 1137546839 /nfs/dbraw/zinc/54/68/39/1137546839.db2.gz FBYCFPBIYKBQPD-IRXDYDNUSA-N 1 3 336.495 3.755 20 0 EHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001172333731 1137551292 /nfs/dbraw/zinc/55/12/92/1137551292.db2.gz KMPYMJQANOOVJH-ROUUACIJSA-N 1 3 348.531 3.625 20 0 EHADHO COc1ccccc1[C@H]1CCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205167 1137593921 /nfs/dbraw/zinc/59/39/21/1137593921.db2.gz NVMNLJIODACBPV-QGZVFWFLSA-N 1 3 328.481 3.740 20 0 EHADHO [NH3+][C@H]1C[C@H](CN[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000873256828 1137595592 /nfs/dbraw/zinc/59/55/92/1137595592.db2.gz OWUNIBXYGWJRIO-YEWWUXTCSA-N 1 3 345.284 3.865 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000877189206 1137672516 /nfs/dbraw/zinc/67/25/16/1137672516.db2.gz LJGFNMJMBBYTFP-JHQQDIAJSA-N 1 3 344.480 3.952 20 0 EHADHO C[C@H](CN[C@H](c1ccc(F)cc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000883174564 1137847200 /nfs/dbraw/zinc/84/72/00/1137847200.db2.gz NDWNCRKLPLXATQ-OXQOHEQNSA-N 1 3 334.479 3.615 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264615 1137886799 /nfs/dbraw/zinc/88/67/99/1137886799.db2.gz NWABJZKVVRBWJK-GOEBONIOSA-N 1 3 331.435 3.631 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264615 1137886800 /nfs/dbraw/zinc/88/68/00/1137886800.db2.gz NWABJZKVVRBWJK-GOEBONIOSA-N 1 3 331.435 3.631 20 0 EHADHO CCN(Cc1ccccc1)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001202660781 1137910260 /nfs/dbraw/zinc/91/02/60/1137910260.db2.gz MTGIIXLVLSVFRV-UHFFFAOYSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@H]1CN(C/C(Br)=C/c2ccccc2)CCC[C@H]1C[NH3+] ZINC001205980821 1137959165 /nfs/dbraw/zinc/95/91/65/1137959165.db2.gz AIOHTWWYQITEOW-BDINCZSTSA-N 1 3 337.305 3.729 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1C ZINC000885924619 1138025164 /nfs/dbraw/zinc/02/51/64/1138025164.db2.gz RQYRCOUFMACTAK-HOTGVXAUSA-N 1 3 340.515 3.794 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc4cccc(Cl)c4n3)C2)CC1 ZINC001137228271 1138069956 /nfs/dbraw/zinc/06/99/56/1138069956.db2.gz LYYYMTLAEGZUMG-UHFFFAOYSA-N 1 3 329.875 3.806 20 0 EHADHO CC(C)[C@H](NCc1ccccc1C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000886502526 1138085027 /nfs/dbraw/zinc/08/50/27/1138085027.db2.gz BJMWKCLIPLGAQG-FQEVSTJZSA-N 1 3 328.504 3.747 20 0 EHADHO CC(C)[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000886502526 1138085029 /nfs/dbraw/zinc/08/50/29/1138085029.db2.gz BJMWKCLIPLGAQG-FQEVSTJZSA-N 1 3 328.504 3.747 20 0 EHADHO C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC[C@@H]1O ZINC000886537277 1138092462 /nfs/dbraw/zinc/09/24/62/1138092462.db2.gz XPSRDGPMCLARKZ-KNOXWWKRSA-N 1 3 342.527 3.570 20 0 EHADHO CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000886557019 1138095938 /nfs/dbraw/zinc/09/59/38/1138095938.db2.gz PLDYJXGKLZYFLI-UQVNRYHBSA-N 1 3 328.500 3.587 20 0 EHADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3nccs3)CC2)cc1 ZINC000093403272 1138237408 /nfs/dbraw/zinc/23/74/08/1138237408.db2.gz NBJBVMSUYQOFTH-HNNXBMFYSA-N 1 3 345.512 3.715 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(Cl)c2Br)C1 ZINC001202749937 1138271013 /nfs/dbraw/zinc/27/10/13/1138271013.db2.gz MGWWUAVLABYQIW-LBPRGKRZSA-N 1 3 345.712 3.924 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(Cl)c2Br)C1 ZINC001202749937 1138271015 /nfs/dbraw/zinc/27/10/15/1138271015.db2.gz MGWWUAVLABYQIW-LBPRGKRZSA-N 1 3 345.712 3.924 20 0 EHADHO Cn1cc(-c2ccc(CNCc3ccc(C[NH+](C)C)cc3)s2)cn1 ZINC000337833977 1138679088 /nfs/dbraw/zinc/67/90/88/1138679088.db2.gz WUCOQNZKRIFMIW-UHFFFAOYSA-N 1 3 340.496 3.500 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000178040681 1139664370 /nfs/dbraw/zinc/66/43/70/1139664370.db2.gz AOZZMJLYHSUHKC-BZSNNMDCSA-N 1 3 341.499 3.775 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000178040669 1139664585 /nfs/dbraw/zinc/66/45/85/1139664585.db2.gz AOZZMJLYHSUHKC-KSZLIROESA-N 1 3 341.499 3.775 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 ZINC000184282281 1140092781 /nfs/dbraw/zinc/09/27/81/1140092781.db2.gz TTXURTXVQKGIBU-SFHVURJKSA-N 1 3 341.499 3.961 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000188243802 1140288147 /nfs/dbraw/zinc/28/81/47/1140288147.db2.gz LRNXCGKORAEHJJ-ZCNNSNEGSA-N 1 3 334.479 3.634 20 0 EHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000268761493 1140985682 /nfs/dbraw/zinc/98/56/82/1140985682.db2.gz HJYAKGZOBAOEBF-INIZCTEOSA-N 1 3 340.467 3.508 20 0 EHADHO Cc1ccccc1[C@@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269063684 1141059453 /nfs/dbraw/zinc/05/94/53/1141059453.db2.gz KTRWOOMYEIEEGX-GOSISDBHSA-N 1 3 338.495 3.803 20 0 EHADHO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269063684 1141059459 /nfs/dbraw/zinc/05/94/59/1141059459.db2.gz KTRWOOMYEIEEGX-GOSISDBHSA-N 1 3 338.495 3.803 20 0 EHADHO CC[C@H](C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C)N(CC)CC ZINC000269230658 1141082371 /nfs/dbraw/zinc/08/23/71/1141082371.db2.gz HXBYLXIPBUTXHM-LJQANCHMSA-N 1 3 331.504 3.650 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402519 1141218407 /nfs/dbraw/zinc/21/84/07/1141218407.db2.gz AHLZOWSTHJQZED-SPEDKVCISA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402519 1141218413 /nfs/dbraw/zinc/21/84/13/1141218413.db2.gz AHLZOWSTHJQZED-SPEDKVCISA-N 1 3 338.495 3.883 20 0 EHADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2cccc(CO)c2)CC1 ZINC000270525157 1141235647 /nfs/dbraw/zinc/23/56/47/1141235647.db2.gz SQDUQTXFSIPRFG-SFHVURJKSA-N 1 3 338.495 3.803 20 0 EHADHO COc1ccc2[nH]cc(C3=CC[N@H+](CC[C@@H]4CCCN4C)CC3)c2c1 ZINC000271340187 1141348672 /nfs/dbraw/zinc/34/86/72/1141348672.db2.gz WYLVWGSDGDFATG-KRWDZBQOSA-N 1 3 339.483 3.750 20 0 EHADHO COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@@H]4CCCN4C)CC3)c2c1 ZINC000271340187 1141348677 /nfs/dbraw/zinc/34/86/77/1141348677.db2.gz WYLVWGSDGDFATG-KRWDZBQOSA-N 1 3 339.483 3.750 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000271504026 1141382331 /nfs/dbraw/zinc/38/23/31/1141382331.db2.gz MNVYQZUFJKXKNF-ZYSHUDEJSA-N 1 3 342.483 3.851 20 0 EHADHO Cc1nocc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000339246272 1141539082 /nfs/dbraw/zinc/53/90/82/1141539082.db2.gz RCZHAPUPGCHBQA-UHFFFAOYSA-N 1 3 333.863 3.638 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000283252839 1141579345 /nfs/dbraw/zinc/57/93/45/1141579345.db2.gz KCBFFRIBSPZNGZ-NQIIRXRSSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000283252839 1141579348 /nfs/dbraw/zinc/57/93/48/1141579348.db2.gz KCBFFRIBSPZNGZ-NQIIRXRSSA-N 1 3 347.522 3.625 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000154279903 1015336213 /nfs/dbraw/zinc/33/62/13/1015336213.db2.gz HJOZMEAAIPPQOG-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@H]1C[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)CCN1C ZINC000154680225 1015757721 /nfs/dbraw/zinc/75/77/21/1015757721.db2.gz FZHJBGKRLDNZOP-WMLDXEAASA-N 1 3 329.419 3.585 20 0 EHADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000376665421 1016966041 /nfs/dbraw/zinc/96/60/41/1016966041.db2.gz UMJJJMDIPVJUFJ-QGZVFWFLSA-N 1 3 326.488 3.617 20 0 EHADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000376665421 1016966062 /nfs/dbraw/zinc/96/60/62/1016966062.db2.gz UMJJJMDIPVJUFJ-QGZVFWFLSA-N 1 3 326.488 3.617 20 0 EHADHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000090525399 1032582361 /nfs/dbraw/zinc/58/23/61/1032582361.db2.gz KWTWPBAMFPKTGQ-QYZOEREBSA-N 1 3 346.515 3.651 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000090522907 1032582887 /nfs/dbraw/zinc/58/28/87/1032582887.db2.gz LMMGGGVQONCNHJ-JVPBZIDWSA-N 1 3 336.907 3.759 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000602023472 1032595967 /nfs/dbraw/zinc/59/59/67/1032595967.db2.gz XSSNWLCYVANPGF-IPELMVKDSA-N 1 3 344.499 3.536 20 0 EHADHO FC(F)(F)[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000547928464 1017379507 /nfs/dbraw/zinc/37/95/07/1017379507.db2.gz BQKZWCRAAXWSRQ-QGZVFWFLSA-N 1 3 326.406 3.797 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@@H]2CCCn3ccnc32)C[N@@H+]1Cc1ccccc1 ZINC000655738178 1017500734 /nfs/dbraw/zinc/50/07/34/1017500734.db2.gz SQVKHFMENASMDR-MISYRCLQSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738178 1017500739 /nfs/dbraw/zinc/50/07/39/1017500739.db2.gz SQVKHFMENASMDR-MISYRCLQSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000415087338 1017532018 /nfs/dbraw/zinc/53/20/18/1017532018.db2.gz STVBFNSORPDYBB-FGTMMUONSA-N 1 3 335.561 3.641 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000659847936 1018017385 /nfs/dbraw/zinc/01/73/85/1018017385.db2.gz SZPUIAVERDPDAA-UHFFFAOYSA-N 1 3 326.488 3.574 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000659847936 1018017397 /nfs/dbraw/zinc/01/73/97/1018017397.db2.gz SZPUIAVERDPDAA-UHFFFAOYSA-N 1 3 326.488 3.574 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398014172 1018951422 /nfs/dbraw/zinc/95/14/22/1018951422.db2.gz FJVFTCNDHTVAQQ-GCJKJVERSA-N 1 3 333.479 3.867 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398014172 1018951439 /nfs/dbraw/zinc/95/14/39/1018951439.db2.gz FJVFTCNDHTVAQQ-GCJKJVERSA-N 1 3 333.479 3.867 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557642 1019332491 /nfs/dbraw/zinc/33/24/91/1019332491.db2.gz OKVBXAZPYMDYPG-CBGDNZLLSA-N 1 3 348.494 3.844 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557642 1019332509 /nfs/dbraw/zinc/33/25/09/1019332509.db2.gz OKVBXAZPYMDYPG-CBGDNZLLSA-N 1 3 348.494 3.844 20 0 EHADHO Cc1sc(CC[NH2+][C@@H]2CCCC[C@H]2CN)nc1-c1ccccc1 ZINC000564826159 1019427354 /nfs/dbraw/zinc/42/73/54/1019427354.db2.gz GOMBYFMAKIKSRV-DLBZAZTESA-N 1 3 329.513 3.768 20 0 EHADHO Cc1noc(C)c1CNCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544027 1019810535 /nfs/dbraw/zinc/81/05/35/1019810535.db2.gz CBEQFWGGKICVKF-HNAYVOBHSA-N 1 3 327.472 3.682 20 0 EHADHO Cc1noc(C)c1CNCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544027 1019810558 /nfs/dbraw/zinc/81/05/58/1019810558.db2.gz CBEQFWGGKICVKF-HNAYVOBHSA-N 1 3 327.472 3.682 20 0 EHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000350178664 1020386807 /nfs/dbraw/zinc/38/68/07/1020386807.db2.gz ZPWYTNKSRVWOFU-UHFFFAOYSA-N 1 3 346.906 3.608 20 0 EHADHO c1cc2c(o1)CCC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000119370896 1032916183 /nfs/dbraw/zinc/91/61/83/1032916183.db2.gz OCRNQEMFBLDHFI-FQEVSTJZSA-N 1 3 340.467 3.921 20 0 EHADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2ccc(Cl)cc2)CC1 ZINC000276272174 1020986261 /nfs/dbraw/zinc/98/62/61/1020986261.db2.gz CZKNNBIFPDFXSB-UHFFFAOYSA-N 1 3 337.939 3.581 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600311 1021136665 /nfs/dbraw/zinc/13/66/65/1021136665.db2.gz KCHPNGCLURJWEL-ZBFHGGJFSA-N 1 3 328.422 3.956 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000516814814 1021748837 /nfs/dbraw/zinc/74/88/37/1021748837.db2.gz HRXTTYZRPMEFAS-QGZVFWFLSA-N 1 3 349.950 3.624 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(Br)cc3)C2)CC1 ZINC000581831189 1021846311 /nfs/dbraw/zinc/84/63/11/1021846311.db2.gz ITSXEXJYYKRNGG-INIZCTEOSA-N 1 3 337.305 3.613 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCCSC4)[C@H]3C2)cc1 ZINC000425922347 1022210716 /nfs/dbraw/zinc/21/07/16/1022210716.db2.gz JYAWQOGCMLLLEZ-YRPNKDGESA-N 1 3 330.541 3.772 20 0 EHADHO Cc1ccccc1[C@@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993855 1022608754 /nfs/dbraw/zinc/60/87/54/1022608754.db2.gz MXCNAICPCCSKEB-DENIHFKCSA-N 1 3 338.495 3.625 20 0 EHADHO Cc1ccccc1[C@@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993855 1022608764 /nfs/dbraw/zinc/60/87/64/1022608764.db2.gz MXCNAICPCCSKEB-DENIHFKCSA-N 1 3 338.495 3.625 20 0 EHADHO Cc1cnn(CCCCCN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000111685911 1022704870 /nfs/dbraw/zinc/70/48/70/1022704870.db2.gz BHXXRLAGTQKXGQ-NRFANRHFSA-N 1 3 346.563 3.806 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158093333 1022823111 /nfs/dbraw/zinc/82/31/11/1022823111.db2.gz QSKKIVOMNSYIQC-DLBZAZTESA-N 1 3 346.519 3.553 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158093333 1022823140 /nfs/dbraw/zinc/82/31/40/1022823140.db2.gz QSKKIVOMNSYIQC-DLBZAZTESA-N 1 3 346.519 3.553 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510653870 1022834217 /nfs/dbraw/zinc/83/42/17/1022834217.db2.gz UNTZFEFUFPXDKV-UXLLHSPISA-N 1 3 337.305 3.899 20 0 EHADHO C[C@H]1CN(CCCCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430956674 1022956279 /nfs/dbraw/zinc/95/62/79/1022956279.db2.gz PNYVVYFEVCIYEX-DZGCQCFKSA-N 1 3 330.394 3.534 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000518265772 1023174974 /nfs/dbraw/zinc/17/49/74/1023174974.db2.gz BQKUHXWVFSTHJY-DHZHZOJOSA-N 1 3 349.522 3.627 20 0 EHADHO Clc1ccc(Br)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414980872 1023266102 /nfs/dbraw/zinc/26/61/02/1023266102.db2.gz XAUHUFDCXORGDA-ZDUSSCGKSA-N 1 3 331.685 3.724 20 0 EHADHO CO[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000513959758 1023988425 /nfs/dbraw/zinc/98/84/25/1023988425.db2.gz SSFNDLGTOVYYTO-IBGZPJMESA-N 1 3 336.907 3.835 20 0 EHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000522191076 1024011727 /nfs/dbraw/zinc/01/17/27/1024011727.db2.gz FYZQPWZERIZURX-FQEVSTJZSA-N 1 3 343.515 3.528 20 0 EHADHO Cc1cccc2oc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc21 ZINC000520564917 1024120778 /nfs/dbraw/zinc/12/07/78/1024120778.db2.gz KJSXIMQESYCACE-IXDOHACOSA-N 1 3 327.472 3.579 20 0 EHADHO Brc1ccc(C2CC([NH2+]CCCN3CCCC3)C2)cc1 ZINC000036843505 1033188274 /nfs/dbraw/zinc/18/82/74/1033188274.db2.gz SLUDQSCNMDTXDB-UHFFFAOYSA-N 1 3 337.305 3.771 20 0 EHADHO C[C@@H](CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039539 1024188693 /nfs/dbraw/zinc/18/86/93/1024188693.db2.gz POPSXWWQEKHVQW-RXVVDRJESA-N 1 3 330.516 3.646 20 0 EHADHO C[C@@H](CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039539 1024188697 /nfs/dbraw/zinc/18/86/97/1024188697.db2.gz POPSXWWQEKHVQW-RXVVDRJESA-N 1 3 330.516 3.646 20 0 EHADHO CCCN1CCC([NH2+]Cc2cc(Br)ccc2C)CC1 ZINC000190695297 1024341203 /nfs/dbraw/zinc/34/12/03/1024341203.db2.gz JVOMVWYZOVUJBS-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000514802394 1024754611 /nfs/dbraw/zinc/75/46/11/1024754611.db2.gz WOHZJPAXSTVFKZ-OAHLLOKOSA-N 1 3 339.321 3.626 20 0 EHADHO CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000375773100 1033256390 /nfs/dbraw/zinc/25/63/90/1033256390.db2.gz YZCLPYJMWQWWDH-JWTNVVGKSA-N 1 3 332.488 3.541 20 0 EHADHO CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000375773100 1033256404 /nfs/dbraw/zinc/25/64/04/1033256404.db2.gz YZCLPYJMWQWWDH-JWTNVVGKSA-N 1 3 332.488 3.541 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2N(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168014137 1025366886 /nfs/dbraw/zinc/36/68/86/1025366886.db2.gz KJBLCQIWYZPZSA-ITEKTMBMSA-N 1 3 343.559 3.890 20 0 EHADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760746 1025457244 /nfs/dbraw/zinc/45/72/44/1025457244.db2.gz AKSFHQUXYJDWHV-IAGOWNOFSA-N 1 3 326.440 3.527 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1(C)C ZINC000442875713 1025547345 /nfs/dbraw/zinc/54/73/45/1025547345.db2.gz WOSFTWUHJDLDFA-MJGOQNOKSA-N 1 3 349.950 3.592 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880981 1025559489 /nfs/dbraw/zinc/55/94/89/1025559489.db2.gz YNFAONVZWKLLGH-RTBURBONSA-N 1 3 349.950 3.592 20 0 EHADHO Cc1ccc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)n1C ZINC001168016860 1026037652 /nfs/dbraw/zinc/03/76/52/1026037652.db2.gz WDDSSOPZKYOXKA-ROUUACIJSA-N 1 3 325.500 3.865 20 0 EHADHO COc1ccc(C[C@H](C)C[N@@H+]2CCCC23CCN(C)CC3)cc1F ZINC000475116903 1026195127 /nfs/dbraw/zinc/19/51/27/1026195127.db2.gz GAKOOXHVDBTUKI-INIZCTEOSA-N 1 3 334.479 3.573 20 0 EHADHO COc1ccc(C[C@H](C)C[N@H+]2CCCC23CCN(C)CC3)cc1F ZINC000475116903 1026195130 /nfs/dbraw/zinc/19/51/30/1026195130.db2.gz GAKOOXHVDBTUKI-INIZCTEOSA-N 1 3 334.479 3.573 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 ZINC000530701399 1026229356 /nfs/dbraw/zinc/22/93/56/1026229356.db2.gz VJZXATAZSYGIJN-WOPDUGCTSA-N 1 3 342.527 3.911 20 0 EHADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000379277101 1026347170 /nfs/dbraw/zinc/34/71/70/1026347170.db2.gz PCWIGQKWYDFMNW-STZQEDGTSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277101 1026347186 /nfs/dbraw/zinc/34/71/86/1026347186.db2.gz PCWIGQKWYDFMNW-STZQEDGTSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277101 1026347197 /nfs/dbraw/zinc/34/71/97/1026347197.db2.gz PCWIGQKWYDFMNW-STZQEDGTSA-N 1 3 338.495 3.874 20 0 EHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1(C)C ZINC000657458773 1026557754 /nfs/dbraw/zinc/55/77/54/1026557754.db2.gz PSPDVPGATXNTMR-UHFFFAOYSA-N 1 3 343.540 3.531 20 0 EHADHO C[N@@H+]1C[C@@H](CNCc2cc3ccncc3s2)[C@H](c2ccccc2)C1 ZINC000657501611 1026787891 /nfs/dbraw/zinc/78/78/91/1026787891.db2.gz ZSZQIBGOZFWMLP-MJGOQNOKSA-N 1 3 337.492 3.731 20 0 EHADHO C[N@H+]1C[C@@H](CNCc2cc3ccncc3s2)[C@H](c2ccccc2)C1 ZINC000657501611 1026787901 /nfs/dbraw/zinc/78/79/01/1026787901.db2.gz ZSZQIBGOZFWMLP-MJGOQNOKSA-N 1 3 337.492 3.731 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc(C(C)(C)C)nc2)C1 ZINC000342725686 1026861730 /nfs/dbraw/zinc/86/17/30/1026861730.db2.gz IEVBLNYTYPYNMB-CALCHBBNSA-N 1 3 332.536 3.622 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc(C(C)(C)C)nc2)C1 ZINC000342725686 1026861732 /nfs/dbraw/zinc/86/17/32/1026861732.db2.gz IEVBLNYTYPYNMB-CALCHBBNSA-N 1 3 332.536 3.622 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123325507 1027171601 /nfs/dbraw/zinc/17/16/01/1027171601.db2.gz BYTGOWVDQOLLKQ-QZTJIDSGSA-N 1 3 325.500 3.793 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453133805 1027438591 /nfs/dbraw/zinc/43/85/91/1027438591.db2.gz RJGKICYVXOMKBX-GVDBMIGSSA-N 1 3 326.406 3.972 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453133805 1027438600 /nfs/dbraw/zinc/43/86/00/1027438600.db2.gz RJGKICYVXOMKBX-GVDBMIGSSA-N 1 3 326.406 3.972 20 0 EHADHO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501847680 1027584326 /nfs/dbraw/zinc/58/43/26/1027584326.db2.gz AZMQAWASNBYUEK-NRFANRHFSA-N 1 3 349.538 3.871 20 0 EHADHO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501847680 1027584342 /nfs/dbraw/zinc/58/43/42/1027584342.db2.gz AZMQAWASNBYUEK-NRFANRHFSA-N 1 3 349.538 3.871 20 0 EHADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613498 1027631657 /nfs/dbraw/zinc/63/16/57/1027631657.db2.gz LSUDKQAOAZYAOA-GHTZIAJQSA-N 1 3 327.516 3.876 20 0 EHADHO COc1cc(CN(C)CC(C)(C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000414658446 1027730931 /nfs/dbraw/zinc/73/09/31/1027730931.db2.gz JKMVWNVSRFXIMY-UHFFFAOYSA-N 1 3 342.483 3.788 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777979 1027933910 /nfs/dbraw/zinc/93/39/10/1027933910.db2.gz DFOGFKFDOXBBJJ-MOPGFXCFSA-N 1 3 335.923 3.554 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777979 1027933920 /nfs/dbraw/zinc/93/39/20/1027933920.db2.gz DFOGFKFDOXBBJJ-MOPGFXCFSA-N 1 3 335.923 3.554 20 0 EHADHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000093337010 1027994247 /nfs/dbraw/zinc/99/42/47/1027994247.db2.gz OYHWDHMFEZFAHN-LJQANCHMSA-N 1 3 342.458 3.788 20 0 EHADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000093337010 1027994251 /nfs/dbraw/zinc/99/42/51/1027994251.db2.gz OYHWDHMFEZFAHN-LJQANCHMSA-N 1 3 342.458 3.788 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(Sc2ccccc2)CC1 ZINC000422907930 1028039702 /nfs/dbraw/zinc/03/97/02/1028039702.db2.gz LUUKQINILABIGG-LPHOPBHVSA-N 1 3 326.509 3.859 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422964027 1028078126 /nfs/dbraw/zinc/07/81/26/1028078126.db2.gz KFYTVPCUIZKMBV-VXKWHMMOSA-N 1 3 346.478 3.848 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000422945878 1028081637 /nfs/dbraw/zinc/08/16/37/1028081637.db2.gz VNQOGGLNOQKOPV-XLIONFOSSA-N 1 3 348.494 3.562 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000422951513 1028091570 /nfs/dbraw/zinc/09/15/70/1028091570.db2.gz YVNAZVKRXBFZKF-HNNXBMFYSA-N 1 3 327.472 3.702 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000422982067 1028108115 /nfs/dbraw/zinc/10/81/15/1028108115.db2.gz VJBPHASKQVIWBC-YWZLYKJASA-N 1 3 326.488 3.636 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984376 1028109860 /nfs/dbraw/zinc/10/98/60/1028109860.db2.gz ANAIZRICKFHUJX-CQSZACIVSA-N 1 3 327.447 3.661 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000422999434 1028112817 /nfs/dbraw/zinc/11/28/17/1028112817.db2.gz FANKZZOGOCSUQX-XGHQBKJUSA-N 1 3 339.483 3.667 20 0 EHADHO COc1ccc([C@H](N[C@H](C)CCCC[NH3+])c2ccccc2OC)cc1 ZINC000423006315 1028118837 /nfs/dbraw/zinc/11/88/37/1028118837.db2.gz VCYBSZVZYKUPSB-IERDGZPVSA-N 1 3 342.483 3.900 20 0 EHADHO COCc1nc(CN[C@@H](C)CCCC[NH3+])c(-c2ccccc2)s1 ZINC000423103382 1028185489 /nfs/dbraw/zinc/18/54/89/1028185489.db2.gz PHTLYBSLVRPXKS-AWEZNQCLSA-N 1 3 333.501 3.564 20 0 EHADHO FC(F)(F)Oc1cccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423103528 1028185515 /nfs/dbraw/zinc/18/55/15/1028185515.db2.gz LBKUCPBZKYMTBX-GOEBONIOSA-N 1 3 328.378 3.768 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(OC(F)F)cc1 ZINC000423182814 1028230028 /nfs/dbraw/zinc/23/00/28/1028230028.db2.gz FPCKOGAHBSZFEU-CQSZACIVSA-N 1 3 335.398 3.514 20 0 EHADHO C[C@H]([NH3+])CCN[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423224148 1028290764 /nfs/dbraw/zinc/29/07/64/1028290764.db2.gz IJNPKCRRUFGJHI-BHDSKKPTSA-N 1 3 329.307 3.559 20 0 EHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(CO)c2)c1 ZINC000121304853 1028317081 /nfs/dbraw/zinc/31/70/81/1028317081.db2.gz ZYPUNDJFUCSLQI-KRWDZBQOSA-N 1 3 326.484 3.872 20 0 EHADHO COCCc1nc(C)c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000423291232 1028329482 /nfs/dbraw/zinc/32/94/82/1028329482.db2.gz HKUPEHPADVMWMY-QWHCGFSZSA-N 1 3 333.501 3.511 20 0 EHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)s1 ZINC000423357953 1028387303 /nfs/dbraw/zinc/38/73/03/1028387303.db2.gz MRITUOAGIYWPCE-JTQLQIEISA-N 1 3 337.286 3.965 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1OC ZINC000246414775 1028479374 /nfs/dbraw/zinc/47/93/74/1028479374.db2.gz MSDSFSNGUXRXRC-SLFFLAALSA-N 1 3 346.515 3.504 20 0 EHADHO C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423526210 1028498198 /nfs/dbraw/zinc/49/81/98/1028498198.db2.gz QCBDSSFOPLWWJV-OLZOCXBDSA-N 1 3 336.888 3.708 20 0 EHADHO CCOc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1OC(F)F ZINC000247146698 1028751859 /nfs/dbraw/zinc/75/18/59/1028751859.db2.gz SPVBVVACDJLWIO-VNHYZAJKSA-N 1 3 342.430 3.505 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000247242921 1028762027 /nfs/dbraw/zinc/76/20/27/1028762027.db2.gz ZCCLQAPLSFEVLR-IAGOWNOFSA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247242921 1028762045 /nfs/dbraw/zinc/76/20/45/1028762045.db2.gz ZCCLQAPLSFEVLR-IAGOWNOFSA-N 1 3 326.488 3.563 20 0 EHADHO c1csc([C@@H](Cc2ccncc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000424269405 1028927058 /nfs/dbraw/zinc/92/70/58/1028927058.db2.gz PGKQCNPQSCRGND-FUHWJXTLSA-N 1 3 327.497 3.501 20 0 EHADHO c1csc([C@@H](Cc2ccncc2)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269405 1028927070 /nfs/dbraw/zinc/92/70/70/1028927070.db2.gz PGKQCNPQSCRGND-FUHWJXTLSA-N 1 3 327.497 3.501 20 0 EHADHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245637054 1028953214 /nfs/dbraw/zinc/95/32/14/1028953214.db2.gz AAEBSVMFULMGRK-MVJPYGJCSA-N 1 3 338.499 3.575 20 0 EHADHO O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000245689377 1029010403 /nfs/dbraw/zinc/01/04/03/1029010403.db2.gz KBWJOKMVOUEWCU-HAGHYFMRSA-N 1 3 342.508 3.567 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000249301797 1029012971 /nfs/dbraw/zinc/01/29/71/1029012971.db2.gz SHTIRJZUTRTSNK-RBBKRZOGSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000249301797 1029012988 /nfs/dbraw/zinc/01/29/88/1029012988.db2.gz SHTIRJZUTRTSNK-RBBKRZOGSA-N 1 3 343.559 3.528 20 0 EHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414812997 1029324835 /nfs/dbraw/zinc/32/48/35/1029324835.db2.gz XYWFCNXLTUTSEB-FFSVYQOJSA-N 1 3 343.284 3.626 20 0 EHADHO COc1ccsc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272139501 1029328471 /nfs/dbraw/zinc/32/84/71/1029328471.db2.gz AZOLMPYKHIAEFE-NVXWUHKLSA-N 1 3 330.497 3.757 20 0 EHADHO CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OCC ZINC000414816308 1029351498 /nfs/dbraw/zinc/35/14/98/1029351498.db2.gz ZXARCQUMBSUHSN-HNNXBMFYSA-N 1 3 328.456 3.794 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414837314 1029516085 /nfs/dbraw/zinc/51/60/85/1029516085.db2.gz GRHOKWAJCPESIQ-AWEZNQCLSA-N 1 3 337.895 3.617 20 0 EHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000453215996 1029925037 /nfs/dbraw/zinc/92/50/37/1029925037.db2.gz LBAKNFBRGVTSFQ-INIZCTEOSA-N 1 3 338.499 3.612 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)on1 ZINC000453219602 1029931825 /nfs/dbraw/zinc/93/18/25/1029931825.db2.gz WHDNWJAFXDNZTI-NJYVYQBISA-N 1 3 339.483 3.558 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)on1 ZINC000453219602 1029931834 /nfs/dbraw/zinc/93/18/34/1029931834.db2.gz WHDNWJAFXDNZTI-NJYVYQBISA-N 1 3 339.483 3.558 20 0 EHADHO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(F)F ZINC000453332509 1030068048 /nfs/dbraw/zinc/06/80/48/1030068048.db2.gz AVVKSWAXFFQPIT-JZIBPQBNSA-N 1 3 340.414 3.572 20 0 EHADHO CCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000453361477 1030137721 /nfs/dbraw/zinc/13/77/21/1030137721.db2.gz KCRLFIKNLBQPIA-NJDAHSKKSA-N 1 3 342.527 3.693 20 0 EHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(C3CCCC3)s2)C1 ZINC000650723977 1030217374 /nfs/dbraw/zinc/21/73/74/1030217374.db2.gz WKZGROXHIURDNA-NJAFHUGGSA-N 1 3 349.544 3.662 20 0 EHADHO CC1(CN[C@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]CC1 ZINC000583625466 1030303071 /nfs/dbraw/zinc/30/30/71/1030303071.db2.gz ZPXBVFOKYRQHAD-FQEVSTJZSA-N 1 3 335.451 3.897 20 0 EHADHO CC1(CN[C@@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]CC1 ZINC000583625467 1030303482 /nfs/dbraw/zinc/30/34/82/1030303482.db2.gz ZPXBVFOKYRQHAD-HXUWFJFHSA-N 1 3 335.451 3.897 20 0 EHADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(C)C ZINC000482634557 1030607741 /nfs/dbraw/zinc/60/77/41/1030607741.db2.gz ZJVZAZWIVGHRNN-LJQANCHMSA-N 1 3 338.923 3.813 20 0 EHADHO CC[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000093502249 1030622111 /nfs/dbraw/zinc/62/21/11/1030622111.db2.gz NDIAFHIZFQGNLD-LJQANCHMSA-N 1 3 347.572 3.544 20 0 EHADHO C[C@H](CC1CC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551259739 1031167052 /nfs/dbraw/zinc/16/70/52/1031167052.db2.gz QIFSRACJYAQRQC-WIYYLYMNSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993873 1031403481 /nfs/dbraw/zinc/40/34/81/1031403481.db2.gz QFPSPFDZEHEVRT-CZUORRHYSA-N 1 3 326.406 3.901 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960658 1031524318 /nfs/dbraw/zinc/52/43/18/1031524318.db2.gz CWLWKHDRRIIUJG-DYESRHJHSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960658 1031524329 /nfs/dbraw/zinc/52/43/29/1031524329.db2.gz CWLWKHDRRIIUJG-DYESRHJHSA-N 1 3 348.494 3.574 20 0 EHADHO Cc1nn(C)c(C)c1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158887573 1031712388 /nfs/dbraw/zinc/71/23/88/1031712388.db2.gz ZAXFFWXWKNPVMX-INIZCTEOSA-N 1 3 332.536 3.513 20 0 EHADHO Cc1nn(C)c(C)c1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158887573 1031712404 /nfs/dbraw/zinc/71/24/04/1031712404.db2.gz ZAXFFWXWKNPVMX-INIZCTEOSA-N 1 3 332.536 3.513 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1OC ZINC000584140374 1031792281 /nfs/dbraw/zinc/79/22/81/1031792281.db2.gz FYGZIYQESGXLAL-IXDOHACOSA-N 1 3 334.504 3.516 20 0 EHADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000584199750 1031923708 /nfs/dbraw/zinc/92/37/08/1031923708.db2.gz VXNCRFHUZDLINH-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000584199750 1031923724 /nfs/dbraw/zinc/92/37/24/1031923724.db2.gz VXNCRFHUZDLINH-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708584876 1033573516 /nfs/dbraw/zinc/57/35/16/1033573516.db2.gz FHJRUDGNZLZZNZ-ZIBCJSCZSA-N 1 3 342.527 3.692 20 0 EHADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000685570370 1033576351 /nfs/dbraw/zinc/57/63/51/1033576351.db2.gz QYDZTXUISDYEMA-UHFFFAOYSA-N 1 3 339.483 3.780 20 0 EHADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000685570370 1033576360 /nfs/dbraw/zinc/57/63/60/1033576360.db2.gz QYDZTXUISDYEMA-UHFFFAOYSA-N 1 3 339.483 3.780 20 0 EHADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000595017878 1033612591 /nfs/dbraw/zinc/61/25/91/1033612591.db2.gz WMINKMBDTZEHQT-MRXNPFEDSA-N 1 3 338.536 3.599 20 0 EHADHO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000669684343 1033675898 /nfs/dbraw/zinc/67/58/98/1033675898.db2.gz HTBPVTWQKIUWDU-CWJKEVGVSA-N 1 3 330.516 3.690 20 0 EHADHO CCCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1OCC ZINC000574989404 1033750175 /nfs/dbraw/zinc/75/01/75/1033750175.db2.gz QPWNYHOVFWADSD-UHFFFAOYSA-N 1 3 328.456 3.623 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCC(F)(F)CC3)CC2)C1 ZINC000658321720 1034199416 /nfs/dbraw/zinc/19/94/16/1034199416.db2.gz BYJUKXCBJMWWBS-WBVHZDCISA-N 1 3 344.490 3.560 20 0 EHADHO c1ccc([C@H](NCC2CC[NH+](CC3CC3)CC2)c2ccccn2)cc1 ZINC000658358062 1034237912 /nfs/dbraw/zinc/23/79/12/1034237912.db2.gz XYYBCBWJYLKQQA-QFIPXVFZSA-N 1 3 335.495 3.883 20 0 EHADHO C[C@@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658361911 1034242968 /nfs/dbraw/zinc/24/29/68/1034242968.db2.gz PLXOPAMPPPZFEV-KSCDAYEDSA-N 1 3 338.495 3.609 20 0 EHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257377 1034480440 /nfs/dbraw/zinc/48/04/40/1034480440.db2.gz WFDSRICLLYINMB-UFYCRDLUSA-N 1 3 340.515 3.913 20 0 EHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257377 1034480453 /nfs/dbraw/zinc/48/04/53/1034480453.db2.gz WFDSRICLLYINMB-UFYCRDLUSA-N 1 3 340.515 3.913 20 0 EHADHO CC(C)CCn1cccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000236635504 1035003194 /nfs/dbraw/zinc/00/31/94/1035003194.db2.gz HROPVZJYSAKKNO-KDURUIRLSA-N 1 3 335.536 3.513 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(SC)s2)[C@H](C)C1 ZINC000570439520 1035261567 /nfs/dbraw/zinc/26/15/67/1035261567.db2.gz VYAPLPOBZOBEPB-ZBFHGGJFSA-N 1 3 342.574 3.697 20 0 EHADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cc2n(n1)CCC2 ZINC000414111839 1035555134 /nfs/dbraw/zinc/55/51/34/1035555134.db2.gz XMRXYHOAAPXUMZ-WWDZGPRUSA-N 1 3 330.520 3.523 20 0 EHADHO C[C@@H]([NH2+]CCOc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492351898 1035653640 /nfs/dbraw/zinc/65/36/40/1035653640.db2.gz NUKOEWWLIXFKNX-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492351898 1035653650 /nfs/dbraw/zinc/65/36/50/1035653650.db2.gz NUKOEWWLIXFKNX-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351898 1035653659 /nfs/dbraw/zinc/65/36/59/1035653659.db2.gz NUKOEWWLIXFKNX-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000541086977 1035969994 /nfs/dbraw/zinc/96/99/94/1035969994.db2.gz SSNOCGOZULMNOY-QGZVFWFLSA-N 1 3 339.568 3.514 20 0 EHADHO CCC[NH+]1CCC(NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000153378400 1036141593 /nfs/dbraw/zinc/14/15/93/1036141593.db2.gz DSWWNERHZVZNKF-HXUWFJFHSA-N 1 3 349.950 3.941 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H](O)CCc2ccccc2)CC1 ZINC000542464287 1036293836 /nfs/dbraw/zinc/29/38/36/1036293836.db2.gz PLLRHWDEVAUTQZ-BVYCBKJFSA-N 1 3 344.543 3.613 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C2CC2)c1 ZINC000541557096 1036448902 /nfs/dbraw/zinc/44/89/02/1036448902.db2.gz HQHPRQBLJQYYQF-LAUBAEHRSA-N 1 3 330.516 3.870 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000192746703 1036548709 /nfs/dbraw/zinc/54/87/09/1036548709.db2.gz SHTIRJZUTRTSNK-UNMCSNQZSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000192746703 1036548726 /nfs/dbraw/zinc/54/87/26/1036548726.db2.gz SHTIRJZUTRTSNK-UNMCSNQZSA-N 1 3 343.559 3.528 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000464866103 1036925390 /nfs/dbraw/zinc/92/53/90/1036925390.db2.gz OMZCEROYJCWRRS-CGXNFDGLSA-N 1 3 335.580 3.693 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000464866103 1036925414 /nfs/dbraw/zinc/92/54/14/1036925414.db2.gz OMZCEROYJCWRRS-CGXNFDGLSA-N 1 3 335.580 3.693 20 0 EHADHO Fc1ccc2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2c1 ZINC000647543860 1037098068 /nfs/dbraw/zinc/09/80/68/1037098068.db2.gz SZAZVZPOWNDYNB-ZIAGYGMSSA-N 1 3 333.476 3.647 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280021 1037239771 /nfs/dbraw/zinc/23/97/71/1037239771.db2.gz GKFVSBAWHCLKHA-PKOBYXMFSA-N 1 3 336.907 3.760 20 0 EHADHO CCN1CC[C@H]([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000125079090 1038275621 /nfs/dbraw/zinc/27/56/21/1038275621.db2.gz UYBVQXMIHZDDCZ-LQWHRVPQSA-N 1 3 329.532 3.532 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CO1 ZINC000659980710 1038598714 /nfs/dbraw/zinc/59/87/14/1038598714.db2.gz YLUJEGJPVGZVJG-FPOVZHCZSA-N 1 3 328.500 3.542 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CO1 ZINC000659980710 1038598725 /nfs/dbraw/zinc/59/87/25/1038598725.db2.gz YLUJEGJPVGZVJG-FPOVZHCZSA-N 1 3 328.500 3.542 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059098 1038659461 /nfs/dbraw/zinc/65/94/61/1038659461.db2.gz MPUVVGWBVUDJLZ-XLIONFOSSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059098 1038659466 /nfs/dbraw/zinc/65/94/66/1038659466.db2.gz MPUVVGWBVUDJLZ-XLIONFOSSA-N 1 3 348.494 3.514 20 0 EHADHO CCCc1ccc([C@H]([NH2+]CCCN2CCN(CC)CC2)C(C)C)cc1 ZINC000539162935 1038712233 /nfs/dbraw/zinc/71/22/33/1038712233.db2.gz AGUGHIPQHQOKPV-JOCHJYFZSA-N 1 3 345.575 3.953 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000479872658 1038818022 /nfs/dbraw/zinc/81/80/22/1038818022.db2.gz IIXVSDVAPBFYSV-HNNXBMFYSA-N 1 3 343.284 3.753 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000479867011 1038844022 /nfs/dbraw/zinc/84/40/22/1038844022.db2.gz UIWMIIHVKFVHQN-HNNXBMFYSA-N 1 3 330.394 3.750 20 0 EHADHO OC1(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000552063659 1038929999 /nfs/dbraw/zinc/92/99/99/1038929999.db2.gz HPJGIGLXXVOUOD-PCCBWWKXSA-N 1 3 342.527 3.572 20 0 EHADHO COc1ccc([C@H](N[C@@H]2CC23CC[NH2+]CC3)c2ccc(F)cc2)cc1 ZINC000643535789 1039421671 /nfs/dbraw/zinc/42/16/71/1039421671.db2.gz PBWHKEZILLZSKF-WOJBJXKFSA-N 1 3 340.442 3.655 20 0 EHADHO Cc1ccc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000667675298 1039545917 /nfs/dbraw/zinc/54/59/17/1039545917.db2.gz DHEIGSZYFATARI-UHFFFAOYSA-N 1 3 341.499 3.553 20 0 EHADHO CC1(C)CC[C@H](CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562045 1039699715 /nfs/dbraw/zinc/69/97/15/1039699715.db2.gz IMAOLGNPJGRKNO-IRLDBZIGSA-N 1 3 342.527 3.932 20 0 EHADHO CC1(C)CC[C@H](CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562045 1039699731 /nfs/dbraw/zinc/69/97/31/1039699731.db2.gz IMAOLGNPJGRKNO-IRLDBZIGSA-N 1 3 342.527 3.932 20 0 EHADHO Cc1ccn2c(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)cnc2c1 ZINC000486530271 1040218279 /nfs/dbraw/zinc/21/82/79/1040218279.db2.gz CWLJCLWULYYSKU-ICSRJNTNSA-N 1 3 348.494 3.643 20 0 EHADHO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646191 1040305935 /nfs/dbraw/zinc/30/59/35/1040305935.db2.gz RNPIWVFZUNBUSR-SCLBCKFNSA-N 1 3 347.409 3.675 20 0 EHADHO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646191 1040305954 /nfs/dbraw/zinc/30/59/54/1040305954.db2.gz RNPIWVFZUNBUSR-SCLBCKFNSA-N 1 3 347.409 3.675 20 0 EHADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512655798 1040408089 /nfs/dbraw/zinc/40/80/89/1040408089.db2.gz WNARCMMMXIIECV-QHAWAJNXSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000479608241 1040427600 /nfs/dbraw/zinc/42/76/00/1040427600.db2.gz WOBCUNPGEVMRCR-CQSZACIVSA-N 1 3 343.437 3.505 20 0 EHADHO CSC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000433098602 1040737054 /nfs/dbraw/zinc/73/70/54/1040737054.db2.gz WCINQQXKBYKLQE-IPMKNSEASA-N 1 3 330.541 3.772 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([C@H]2CCCCN2C)cn1 ZINC001167752540 1040849223 /nfs/dbraw/zinc/84/92/23/1040849223.db2.gz VXIZRTDJDAOBMB-IEBWSBKVSA-N 1 3 330.520 3.915 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([C@H]2CCCCN2C)cn1 ZINC001167752540 1040849231 /nfs/dbraw/zinc/84/92/31/1040849231.db2.gz VXIZRTDJDAOBMB-IEBWSBKVSA-N 1 3 330.520 3.915 20 0 EHADHO Cn1nc(CNCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397496142 1041186797 /nfs/dbraw/zinc/18/67/97/1041186797.db2.gz QCHPZSKKWZOFLK-UHFFFAOYSA-N 1 3 348.494 3.575 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000513025479 1041397595 /nfs/dbraw/zinc/39/75/95/1041397595.db2.gz GDTCGJAFBZAYLB-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000419335184 1041407211 /nfs/dbraw/zinc/40/72/11/1041407211.db2.gz JOMSLYMJMYMFDW-SFHVURJKSA-N 1 3 329.532 3.631 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000164473428 1042270710 /nfs/dbraw/zinc/27/07/10/1042270710.db2.gz WWHQVRYFWPTIFC-MRXNPFEDSA-N 1 3 345.487 3.558 20 0 EHADHO Cc1nc2c(s1)[C@H](N(C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662263629 1042640944 /nfs/dbraw/zinc/64/09/44/1042640944.db2.gz OIVWTOYNRJQLLE-GOSISDBHSA-N 1 3 327.497 3.607 20 0 EHADHO CCc1nc2c(s1)[C@H](N(C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662278674 1042652370 /nfs/dbraw/zinc/65/23/70/1042652370.db2.gz JTUYWBGLKULKOM-GOSISDBHSA-N 1 3 341.524 3.861 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790364 1042893720 /nfs/dbraw/zinc/89/37/20/1042893720.db2.gz AYHCYRHTNKRWSC-JENIJYKNSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790364 1042893725 /nfs/dbraw/zinc/89/37/25/1042893725.db2.gz AYHCYRHTNKRWSC-JENIJYKNSA-N 1 3 339.483 3.794 20 0 EHADHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786133 1042975632 /nfs/dbraw/zinc/97/56/32/1042975632.db2.gz VWROXGHDTKGTDO-ZANVPECISA-N 1 3 335.225 3.815 20 0 EHADHO C/C(=C\c1ccc(Cl)cc1)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432368276 1043010623 /nfs/dbraw/zinc/01/06/23/1043010623.db2.gz PHPGGPSAKCNPAW-MAUBAPBLSA-N 1 3 336.907 3.834 20 0 EHADHO C/C(=C\c1ccc(Cl)cc1)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432368276 1043010629 /nfs/dbraw/zinc/01/06/29/1043010629.db2.gz PHPGGPSAKCNPAW-MAUBAPBLSA-N 1 3 336.907 3.834 20 0 EHADHO C[C@@H]1C[N@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418364 1043139866 /nfs/dbraw/zinc/13/98/66/1043139866.db2.gz RLLMAEFXGFZFKF-DNVCBOLYSA-N 1 3 336.907 3.882 20 0 EHADHO C[C@@H]1C[N@@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418364 1043139868 /nfs/dbraw/zinc/13/98/68/1043139868.db2.gz RLLMAEFXGFZFKF-DNVCBOLYSA-N 1 3 336.907 3.882 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444448 1044004805 /nfs/dbraw/zinc/00/48/05/1044004805.db2.gz GVAYVQIAZQHYHG-WIYYLYMNSA-N 1 3 341.543 3.504 20 0 EHADHO Brc1cscc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000850421475 1136255648 /nfs/dbraw/zinc/25/56/48/1136255648.db2.gz YAEYHJWDUVTQQM-UHFFFAOYSA-N 1 3 343.334 3.722 20 0 EHADHO CSc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000173359802 1126830247 /nfs/dbraw/zinc/83/02/47/1126830247.db2.gz BGNIMZMBRFRIFD-ZACQAIPSSA-N 1 3 336.545 3.949 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623443669 1126957362 /nfs/dbraw/zinc/95/73/62/1126957362.db2.gz IUKUUUXXCCKQGS-MAUKXSAKSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623443669 1126957364 /nfs/dbraw/zinc/95/73/64/1126957364.db2.gz IUKUUUXXCCKQGS-MAUKXSAKSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443669 1126957366 /nfs/dbraw/zinc/95/73/66/1126957366.db2.gz IUKUUUXXCCKQGS-MAUKXSAKSA-N 1 3 326.488 3.704 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2C)C1 ZINC000623866940 1127206584 /nfs/dbraw/zinc/20/65/84/1127206584.db2.gz KICVBEINMNVQHI-UONOGXRCSA-N 1 3 325.294 3.750 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000624124157 1127256400 /nfs/dbraw/zinc/25/64/00/1127256400.db2.gz YQAOPGACAHMZIR-IKGGRYGDSA-N 1 3 334.504 3.517 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124109 1127256726 /nfs/dbraw/zinc/25/67/26/1127256726.db2.gz XJJYZESAFYQKRJ-CZUORRHYSA-N 1 3 341.421 3.799 20 0 EHADHO c1n[nH]cc1CNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000624213205 1127310450 /nfs/dbraw/zinc/31/04/50/1127310450.db2.gz QETYUIXOGRLGDL-UHFFFAOYSA-N 1 3 346.478 3.962 20 0 EHADHO CC(C)Cn1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000183369293 1127374925 /nfs/dbraw/zinc/37/49/25/1127374925.db2.gz SFAUIGDAQQXWDV-UHFFFAOYSA-N 1 3 332.536 3.627 20 0 EHADHO [NH3+]CC[C@@H]1CN(c2cc(CN3CCCCC3)ccn2)c2ccccc21 ZINC001168543855 1127668110 /nfs/dbraw/zinc/66/81/10/1127668110.db2.gz FXIHJCBTRBBFCX-GOSISDBHSA-N 1 3 336.483 3.652 20 0 EHADHO Cn1cc(-c2ccc(CNCc3cccc(C[NH+](C)C)c3)s2)cn1 ZINC000282216600 1128091670 /nfs/dbraw/zinc/09/16/70/1128091670.db2.gz JSPSSZAVUIMYHY-UHFFFAOYSA-N 1 3 340.496 3.500 20 0 EHADHO Brc1ccc(CNCCCCC[NH+]2CCCCC2)nc1 ZINC001649107012 1128273135 /nfs/dbraw/zinc/27/31/35/1128273135.db2.gz ONCXOXZXILBKKB-UHFFFAOYSA-N 1 3 340.309 3.590 20 0 EHADHO COc1ccc([C@H]2C[C@H](N3CCC([NH3+])(CC4CC4)CC3)CCO2)cc1 ZINC001168616478 1128437888 /nfs/dbraw/zinc/43/78/88/1128437888.db2.gz NIJBGENIQVNYBQ-UYAOXDASSA-N 1 3 344.499 3.509 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2ccccc2c1 ZINC000282313474 1128770608 /nfs/dbraw/zinc/77/06/08/1128770608.db2.gz NERTXEIIZXBPKC-KRWDZBQOSA-N 1 3 325.500 3.516 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000191441064 1120673939 /nfs/dbraw/zinc/67/39/39/1120673939.db2.gz BBYJEEYKOJHLGB-HXUWFJFHSA-N 1 3 343.559 3.703 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000191441064 1120673941 /nfs/dbraw/zinc/67/39/41/1120673941.db2.gz BBYJEEYKOJHLGB-HXUWFJFHSA-N 1 3 343.559 3.703 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886095 1120895042 /nfs/dbraw/zinc/89/50/42/1120895042.db2.gz MCMZAUHZAZITJC-FUHWJXTLSA-N 1 3 333.524 3.670 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886095 1120895046 /nfs/dbraw/zinc/89/50/46/1120895046.db2.gz MCMZAUHZAZITJC-FUHWJXTLSA-N 1 3 333.524 3.670 20 0 EHADHO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706372 1128995882 /nfs/dbraw/zinc/99/58/82/1128995882.db2.gz XBIRYVOPDZDCQB-VMGRFDJRSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706372 1128995886 /nfs/dbraw/zinc/99/58/86/1128995886.db2.gz XBIRYVOPDZDCQB-VMGRFDJRSA-N 1 3 337.305 3.899 20 0 EHADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000397590879 1121811366 /nfs/dbraw/zinc/81/13/66/1121811366.db2.gz MKLSQOLSCKXVDC-IBGZPJMESA-N 1 3 344.524 3.816 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127372931 1122480323 /nfs/dbraw/zinc/48/03/23/1122480323.db2.gz GFSGKBAVMDMEOR-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000130836949 1123008999 /nfs/dbraw/zinc/00/89/99/1123008999.db2.gz ZBLSKEDRGAHACW-IZZBFERCSA-N 1 3 330.516 3.802 20 0 EHADHO CCC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccsc1 ZINC000249140608 1124742296 /nfs/dbraw/zinc/74/22/96/1124742296.db2.gz XRTKAXZFSMVNRX-UXHICEINSA-N 1 3 344.524 3.946 20 0 EHADHO CCC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccsc1 ZINC000249140608 1124742302 /nfs/dbraw/zinc/74/23/02/1124742302.db2.gz XRTKAXZFSMVNRX-UXHICEINSA-N 1 3 344.524 3.946 20 0 EHADHO COc1ccc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000091311179 1124975984 /nfs/dbraw/zinc/97/59/84/1124975984.db2.gz CMHJGSPKEQTCNR-LLGFUMIMSA-N 1 3 346.515 3.625 20 0 EHADHO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182959575 1125407977 /nfs/dbraw/zinc/40/79/77/1125407977.db2.gz CVULZUSPWHGWOT-ZWOKBUDYSA-N 1 3 348.531 3.739 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cccc3nsnc32)CC1 ZINC000766018265 1129787955 /nfs/dbraw/zinc/78/79/55/1129787955.db2.gz CYFXJVDAVZRCKY-UHFFFAOYSA-N 1 3 332.517 3.635 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc3nsnc32)CC1 ZINC000766018265 1129787959 /nfs/dbraw/zinc/78/79/59/1129787959.db2.gz CYFXJVDAVZRCKY-UHFFFAOYSA-N 1 3 332.517 3.635 20 0 EHADHO CO[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001172925884 1131908191 /nfs/dbraw/zinc/90/81/91/1131908191.db2.gz LFLDALWPNPSHNJ-RBUKOAKNSA-N 1 3 334.479 3.585 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)C2 ZINC001169090240 1132660832 /nfs/dbraw/zinc/66/08/32/1132660832.db2.gz IYWSWCJNUBWPPO-MZADTFQBSA-N 1 3 336.479 3.980 20 0 EHADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169106867 1132669237 /nfs/dbraw/zinc/66/92/37/1132669237.db2.gz APJJEZVKGIXKAJ-YYIAUSFCSA-N 1 3 326.488 3.880 20 0 EHADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169106867 1132669243 /nfs/dbraw/zinc/66/92/43/1132669243.db2.gz APJJEZVKGIXKAJ-YYIAUSFCSA-N 1 3 326.488 3.880 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115576 1132672759 /nfs/dbraw/zinc/67/27/59/1132672759.db2.gz LCQXPQNEHNHHMR-MXEMCNAFSA-N 1 3 341.543 3.502 20 0 EHADHO COC(=O)c1ccc([C@@H]2CCCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160674 1132682826 /nfs/dbraw/zinc/68/28/26/1132682826.db2.gz KFWWOJYOXMZEAS-YRPNKDGESA-N 1 3 342.483 3.625 20 0 EHADHO COC(=O)c1ccc([C@@H]2CCCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160674 1132682828 /nfs/dbraw/zinc/68/28/28/1132682828.db2.gz KFWWOJYOXMZEAS-YRPNKDGESA-N 1 3 342.483 3.625 20 0 EHADHO CCN1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2Cl)N(C)C)CC1 ZINC001169232777 1132703136 /nfs/dbraw/zinc/70/31/36/1132703136.db2.gz BDDPBMRCLFUUAC-KRWDZBQOSA-N 1 3 344.330 3.670 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ncccc1C(F)(F)F ZINC000152155232 1133602853 /nfs/dbraw/zinc/60/28/53/1133602853.db2.gz XNGXRVBMHXPFPN-CQSZACIVSA-N 1 3 329.410 3.845 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ncccc1C(F)(F)F ZINC000152155232 1133602858 /nfs/dbraw/zinc/60/28/58/1133602858.db2.gz XNGXRVBMHXPFPN-CQSZACIVSA-N 1 3 329.410 3.845 20 0 EHADHO Cc1ccc(Cl)cc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001184154497 1133900141 /nfs/dbraw/zinc/90/01/41/1133900141.db2.gz SGKAWNQSZLVKGG-UHFFFAOYSA-N 1 3 336.907 3.772 20 0 EHADHO Clc1ccc2c(n1)[C@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000788801072 1134171324 /nfs/dbraw/zinc/17/13/24/1134171324.db2.gz YCVXCMQRJSULED-FUHWJXTLSA-N 1 3 341.886 3.834 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@]2(C)CCOC2)ccc1OC ZINC000775390910 1134706003 /nfs/dbraw/zinc/70/60/03/1134706003.db2.gz RNLFGYLRRSMUDU-JXFKEZNVSA-N 1 3 334.504 3.614 20 0 EHADHO CN1CCN(c2ccc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)cc2)CC1 ZINC001170451409 1135073320 /nfs/dbraw/zinc/07/33/20/1135073320.db2.gz LTUGWBGUUBDZJX-UHFFFAOYSA-N 1 3 344.547 3.502 20 0 EHADHO Cc1ccc(Br)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205636846 1135150919 /nfs/dbraw/zinc/15/09/19/1135150919.db2.gz FNAGBLWOSDSQBL-WCQYABFASA-N 1 3 343.284 3.703 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000809756006 1135886906 /nfs/dbraw/zinc/88/69/06/1135886906.db2.gz NTCKDZPLRUUORD-AWEZNQCLSA-N 1 3 344.471 3.899 20 0 EHADHO CC[C@H](C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000810258579 1135944198 /nfs/dbraw/zinc/94/41/98/1135944198.db2.gz QYVIGNSIVQKREH-QFBILLFUSA-N 1 3 334.504 3.757 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC001201492446 1136028403 /nfs/dbraw/zinc/02/84/03/1136028403.db2.gz PVKLQZVVLVYYPI-IBGZPJMESA-N 1 3 329.532 3.887 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC(C)(C)C2)CCN1Cc1ccccc1 ZINC001202176387 1136105526 /nfs/dbraw/zinc/10/55/26/1136105526.db2.gz PYRFQSVLTTYEFT-CTNGQTDRSA-N 1 3 343.559 3.751 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850443090 1136259911 /nfs/dbraw/zinc/25/99/11/1136259911.db2.gz JVHPMBCKPFCDTK-KSZLIROESA-N 1 3 346.515 3.552 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1CN1CCCCC1 ZINC000850480963 1136266819 /nfs/dbraw/zinc/26/68/19/1136266819.db2.gz DBEOIXPPHRDJPA-VQIMIIECSA-N 1 3 346.515 3.899 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850509771 1136273817 /nfs/dbraw/zinc/27/38/17/1136273817.db2.gz SIXGGSUNBKUNJS-JXFKEZNVSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850509771 1136273823 /nfs/dbraw/zinc/27/38/23/1136273823.db2.gz SIXGGSUNBKUNJS-JXFKEZNVSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000815560511 1136610626 /nfs/dbraw/zinc/61/06/26/1136610626.db2.gz JGOHSQROMJMKGX-INIZCTEOSA-N 1 3 330.447 3.925 20 0 EHADHO COc1c(C)cc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1Cl ZINC000817939306 1136847233 /nfs/dbraw/zinc/84/72/33/1136847233.db2.gz CBMQKZKPXSGLGY-HNNXBMFYSA-N 1 3 347.890 3.883 20 0 EHADHO COCc1cc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC ZINC000817963316 1136852140 /nfs/dbraw/zinc/85/21/40/1136852140.db2.gz QVUOXPUCNAJXJF-CABCVRRESA-N 1 3 328.456 3.712 20 0 EHADHO CCCCn1nc(C)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1Cl ZINC000818431399 1136877536 /nfs/dbraw/zinc/87/75/36/1136877536.db2.gz LALUFJUZDMITPN-AWEZNQCLSA-N 1 3 338.927 3.609 20 0 EHADHO Cc1ccccc1[C@@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000818982893 1136896594 /nfs/dbraw/zinc/89/65/94/1136896594.db2.gz VBSORODYPHUOEE-IRLDBZIGSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccccc1[C@@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982893 1136896597 /nfs/dbraw/zinc/89/65/97/1136896597.db2.gz VBSORODYPHUOEE-IRLDBZIGSA-N 1 3 338.495 3.530 20 0 EHADHO CCc1nc(C(C)C)ccc1CN1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000339009971 1136928218 /nfs/dbraw/zinc/92/82/18/1136928218.db2.gz MESJCSNFTPBSIN-LJQANCHMSA-N 1 3 347.547 3.700 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc1OC ZINC000858546374 1136977810 /nfs/dbraw/zinc/97/78/10/1136977810.db2.gz UGGNFPDKBVVNOC-NYSBEXSLSA-N 1 3 346.515 3.755 20 0 EHADHO COCC1([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000777239799 1137136313 /nfs/dbraw/zinc/13/63/13/1137136313.db2.gz YIZSNXJEEHIKFO-INIZCTEOSA-N 1 3 332.488 3.511 20 0 EHADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171144186 1137243041 /nfs/dbraw/zinc/24/30/41/1137243041.db2.gz NVJVSYCXSIOQHK-LSDHHAIUSA-N 1 3 327.299 3.925 20 0 EHADHO Cc1c(Cl)cccc1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000865496542 1137288861 /nfs/dbraw/zinc/28/88/61/1137288861.db2.gz WFZDOGCABJXVLY-MOPGFXCFSA-N 1 3 336.907 3.506 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cn(C3CC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000865510012 1137290116 /nfs/dbraw/zinc/29/01/16/1137290116.db2.gz RCIQZYSRWAMDSE-HKUYNNGSSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510012 1137290117 /nfs/dbraw/zinc/29/01/17/1137290117.db2.gz RCIQZYSRWAMDSE-HKUYNNGSSA-N 1 3 338.499 3.608 20 0 EHADHO CC(C)n1ccnc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717605 1137306354 /nfs/dbraw/zinc/30/63/54/1137306354.db2.gz GHLNHZDBGRCFMQ-UHFFFAOYSA-N 1 3 340.515 3.856 20 0 EHADHO C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000866256630 1137339987 /nfs/dbraw/zinc/33/99/87/1137339987.db2.gz AUKXCIYYBSBITK-DENIHFKCSA-N 1 3 337.511 3.557 20 0 EHADHO CC(C)[NH+]1CCC(CCN[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000866468131 1137357162 /nfs/dbraw/zinc/35/71/62/1137357162.db2.gz BFMAHFFUDQKADQ-SFHVURJKSA-N 1 3 333.524 3.526 20 0 EHADHO Cc1cc([C@H](C)NCCC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000866469765 1137357517 /nfs/dbraw/zinc/35/75/17/1137357517.db2.gz KZXLIIYKNFORPN-SFHVURJKSA-N 1 3 340.515 3.681 20 0 EHADHO COc1ccccc1-c1nc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])co1 ZINC000866668505 1137373148 /nfs/dbraw/zinc/37/31/48/1137373148.db2.gz FWIMTXCMVIPPES-CRAIPNDOSA-N 1 3 343.471 3.690 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171412031 1137476086 /nfs/dbraw/zinc/47/60/86/1137476086.db2.gz REWVPMRPIGILMO-LPHOPBHVSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171412031 1137476088 /nfs/dbraw/zinc/47/60/88/1137476088.db2.gz REWVPMRPIGILMO-LPHOPBHVSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccn1 ZINC000716710581 1137488507 /nfs/dbraw/zinc/48/85/07/1137488507.db2.gz FJUBYKLKYBLNRB-HZEGPAAWSA-N 1 3 335.495 3.828 20 0 EHADHO CCCC[N@H+](C)CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506372 1137494974 /nfs/dbraw/zinc/49/49/74/1137494974.db2.gz VRDBTCWFYCXKHO-AWEZNQCLSA-N 1 3 328.422 3.673 20 0 EHADHO CCCC[N@@H+](C)CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506372 1137494975 /nfs/dbraw/zinc/49/49/75/1137494975.db2.gz VRDBTCWFYCXKHO-AWEZNQCLSA-N 1 3 328.422 3.673 20 0 EHADHO CCCCN(C)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506372 1137494977 /nfs/dbraw/zinc/49/49/77/1137494977.db2.gz VRDBTCWFYCXKHO-AWEZNQCLSA-N 1 3 328.422 3.673 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]2COCc2ccccc2)CC1(C)C ZINC001171635995 1137504070 /nfs/dbraw/zinc/50/40/70/1137504070.db2.gz BSBNDIVIQFGRES-GOSISDBHSA-N 1 3 330.516 3.929 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1(C)C ZINC001171635995 1137504071 /nfs/dbraw/zinc/50/40/71/1137504071.db2.gz BSBNDIVIQFGRES-GOSISDBHSA-N 1 3 330.516 3.929 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172101888 1137532474 /nfs/dbraw/zinc/53/24/74/1137532474.db2.gz IBLXMCQETCPONZ-MYGLTJDJSA-N 1 3 341.543 3.504 20 0 EHADHO FC(F)(F)OCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066355 1137533837 /nfs/dbraw/zinc/53/38/37/1137533837.db2.gz WBJYZIFUBOGEFX-BJWYYQGGSA-N 1 3 342.405 3.698 20 0 EHADHO FC(F)(F)OCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066355 1137533838 /nfs/dbraw/zinc/53/38/38/1137533838.db2.gz WBJYZIFUBOGEFX-BJWYYQGGSA-N 1 3 342.405 3.698 20 0 EHADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CO1 ZINC001172280048 1137543990 /nfs/dbraw/zinc/54/39/90/1137543990.db2.gz RWDBNYBBGCLIGE-GOSISDBHSA-N 1 3 336.907 3.709 20 0 EHADHO CCOCC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172414790 1137556030 /nfs/dbraw/zinc/55/60/30/1137556030.db2.gz HLSLWRKNRWNRIS-MRXNPFEDSA-N 1 3 338.923 3.957 20 0 EHADHO CC[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000873294072 1137596759 /nfs/dbraw/zinc/59/67/59/1137596759.db2.gz SLNMZSZNOPLHPB-BBRMVZONSA-N 1 3 340.870 3.679 20 0 EHADHO Fc1cccc2cc(CN3CCC(C[NH+]4CCCC4)CC3)cnc12 ZINC000876576816 1137656047 /nfs/dbraw/zinc/65/60/47/1137656047.db2.gz QKDHPCZYOMBKHV-UHFFFAOYSA-N 1 3 327.447 3.682 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000876935672 1137665765 /nfs/dbraw/zinc/66/57/65/1137665765.db2.gz FRJFYOUVFQATSL-GEYWLOKFSA-N 1 3 332.469 3.667 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)ccc1OC ZINC000883271177 1137851790 /nfs/dbraw/zinc/85/17/90/1137851790.db2.gz HHLXUUZRBAYHNB-GPMSIDNRSA-N 1 3 334.504 3.613 20 0 EHADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cccc2ccccc21 ZINC000337267240 1138513858 /nfs/dbraw/zinc/51/38/58/1138513858.db2.gz IOWQTQDDXVJKSX-UHFFFAOYSA-N 1 3 339.483 3.586 20 0 EHADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cccc2ccccc21 ZINC000337267240 1138513859 /nfs/dbraw/zinc/51/38/59/1138513859.db2.gz IOWQTQDDXVJKSX-UHFFFAOYSA-N 1 3 339.483 3.586 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749219 1139149610 /nfs/dbraw/zinc/14/96/10/1139149610.db2.gz JWQIPWHVEYFMNK-VCBZYWHSSA-N 1 3 343.446 3.831 20 0 EHADHO COCc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000174312826 1139413497 /nfs/dbraw/zinc/41/34/97/1139413497.db2.gz QNNIAXLXUUJJIU-UHFFFAOYSA-N 1 3 326.484 3.963 20 0 EHADHO COCc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000174312826 1139413500 /nfs/dbraw/zinc/41/35/00/1139413500.db2.gz QNNIAXLXUUJJIU-UHFFFAOYSA-N 1 3 326.484 3.963 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000174517174 1139426108 /nfs/dbraw/zinc/42/61/08/1139426108.db2.gz XLHIZRXYDICOBT-AEFFLSMTSA-N 1 3 334.467 3.598 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517174 1139426112 /nfs/dbraw/zinc/42/61/12/1139426112.db2.gz XLHIZRXYDICOBT-AEFFLSMTSA-N 1 3 334.467 3.598 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000177212585 1139604729 /nfs/dbraw/zinc/60/47/29/1139604729.db2.gz JCDGEDCRBVZGDP-SFHVURJKSA-N 1 3 325.500 3.518 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000179697448 1139775854 /nfs/dbraw/zinc/77/58/54/1139775854.db2.gz KSVSZYPVJFFTCR-XLIONFOSSA-N 1 3 339.483 3.796 20 0 EHADHO Cc1cccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000191458027 1140465098 /nfs/dbraw/zinc/46/50/98/1140465098.db2.gz BUJWXPBTMYDTBV-NRFANRHFSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000191458027 1140465103 /nfs/dbraw/zinc/46/51/03/1140465103.db2.gz BUJWXPBTMYDTBV-NRFANRHFSA-N 1 3 329.532 3.548 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000192766976 1140549101 /nfs/dbraw/zinc/54/91/01/1140549101.db2.gz NZDLITVCVZWIOM-OAQYLSRUSA-N 1 3 329.532 3.534 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268934926 1141030383 /nfs/dbraw/zinc/03/03/83/1141030383.db2.gz RJTSPMWJJPGWNW-SYYKKAFVSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268934926 1141030389 /nfs/dbraw/zinc/03/03/89/1141030389.db2.gz RJTSPMWJJPGWNW-SYYKKAFVSA-N 1 3 338.495 3.671 20 0 EHADHO Fc1cc(C[NH2+]C2CCN(C3CCC3)CC2)ccc1OC(F)F ZINC000270028104 1141169836 /nfs/dbraw/zinc/16/98/36/1141169836.db2.gz XUGTUHHLCBAOQW-UHFFFAOYSA-N 1 3 328.378 3.534 20 0 EHADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271457317 1141372190 /nfs/dbraw/zinc/37/21/90/1141372190.db2.gz FMZPUEZMNLGZFI-ACRUOGEOSA-N 1 3 330.516 3.668 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000271544160 1141393661 /nfs/dbraw/zinc/39/36/61/1141393661.db2.gz TUWYJVRIDLQQIW-PSOYPTMXSA-N 1 3 328.500 3.592 20 0 EHADHO CC(C)N1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000020189309 212109570 /nfs/dbraw/zinc/10/95/70/212109570.db2.gz JEHDGWCAZUNKTF-UHFFFAOYSA-N 1 3 329.257 3.551 20 0 EHADHO c1ccc2c(c1)cncc2CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473515 1032071682 /nfs/dbraw/zinc/07/16/82/1032071682.db2.gz JCMCPZNHDUYFGV-IRLDBZIGSA-N 1 3 345.446 3.580 20 0 EHADHO CC[N@@H+]1CCC[C@@H]1CNCc1ccnc2c(Br)cccc12 ZINC000449059066 1032102576 /nfs/dbraw/zinc/10/25/76/1032102576.db2.gz OLIDQUWWHQAYPK-CQSZACIVSA-N 1 3 348.288 3.571 20 0 EHADHO CC[N@H+]1CCC[C@@H]1CNCc1ccnc2c(Br)cccc12 ZINC000449059066 1032102585 /nfs/dbraw/zinc/10/25/85/1032102585.db2.gz OLIDQUWWHQAYPK-CQSZACIVSA-N 1 3 348.288 3.571 20 0 EHADHO Cc1c(C[NH2+]C2CCN(CC3CC3)CC2)cccc1C(F)(F)F ZINC001168358651 1032322111 /nfs/dbraw/zinc/32/21/11/1032322111.db2.gz TYYBTDSJCPOUCM-UHFFFAOYSA-N 1 3 326.406 3.978 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449218503 1032333916 /nfs/dbraw/zinc/33/39/16/1032333916.db2.gz IXBHVRGTBNIEBX-QUCCMNQESA-N 1 3 349.950 3.593 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000536844138 1032338993 /nfs/dbraw/zinc/33/89/93/1032338993.db2.gz HFQPRUPGSRBDBH-SLFFLAALSA-N 1 3 348.918 3.685 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C[C@@H](C)O1 ZINC000536857450 1032355089 /nfs/dbraw/zinc/35/50/89/1032355089.db2.gz LPYJSTFGNUVCFY-MBOZVWFJSA-N 1 3 330.516 3.888 20 0 EHADHO CC[C@H](c1ccc(Br)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644409 1017088765 /nfs/dbraw/zinc/08/87/65/1017088765.db2.gz NQMSYDJZOHTZPJ-BLLLJJGKSA-N 1 3 325.294 3.959 20 0 EHADHO CC[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000163677129 1017343590 /nfs/dbraw/zinc/34/35/90/1017343590.db2.gz NADMPWWKKLSAOU-JXFKEZNVSA-N 1 3 327.472 3.824 20 0 EHADHO [NH3+]CCC[C@H](NCc1cccc2c1OC(F)(F)O2)c1ccccc1 ZINC000415056233 1017480646 /nfs/dbraw/zinc/48/06/46/1017480646.db2.gz PPPDJWUVQYYXIS-HNNXBMFYSA-N 1 3 334.366 3.578 20 0 EHADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000415075491 1017504490 /nfs/dbraw/zinc/50/44/90/1017504490.db2.gz BLKKMNPHUCNWIJ-UONOGXRCSA-N 1 3 337.305 3.601 20 0 EHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000415075490 1017505148 /nfs/dbraw/zinc/50/51/48/1017505148.db2.gz BLKKMNPHUCNWIJ-KGLIPLIRSA-N 1 3 337.305 3.601 20 0 EHADHO CO[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078205 1017509693 /nfs/dbraw/zinc/50/96/93/1017509693.db2.gz FZLREPOPZISFSP-SLFFLAALSA-N 1 3 328.431 3.596 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000655939165 1017968266 /nfs/dbraw/zinc/96/82/66/1017968266.db2.gz COPBDQQJPYCMMQ-FPOVZHCZSA-N 1 3 346.515 3.537 20 0 EHADHO CCC[N@H+](CC[C@H]1CCCN1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167331850 1018202274 /nfs/dbraw/zinc/20/22/74/1018202274.db2.gz BIAIOASEZLTZPV-FGZHOGPDSA-N 1 3 343.559 3.847 20 0 EHADHO CCC[N@@H+](CC[C@H]1CCCN1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167331850 1018202281 /nfs/dbraw/zinc/20/22/81/1018202281.db2.gz BIAIOASEZLTZPV-FGZHOGPDSA-N 1 3 343.559 3.847 20 0 EHADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000340516976 1018203907 /nfs/dbraw/zinc/20/39/07/1018203907.db2.gz YAQRFARWQSZGTR-QKLQHJQFSA-N 1 3 339.483 3.651 20 0 EHADHO Cc1[nH+]c2ccccc2c(N2CCC[C@H](N3CCOCC3)CC2)c1C ZINC000580095349 1018639648 /nfs/dbraw/zinc/63/96/48/1018639648.db2.gz QLTNKLGJQQXVNC-SFHVURJKSA-N 1 3 339.483 3.543 20 0 EHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)C[C@H](C)[NH3+])o1 ZINC000580431121 1019353167 /nfs/dbraw/zinc/35/31/67/1019353167.db2.gz DQDXGIWKNUPTJX-GJZGRUSLSA-N 1 3 338.455 3.656 20 0 EHADHO CCN(Cc1c(-c2ccccc2)nc2ccccn21)[C@@H]1CCC[NH2+]CC1 ZINC000345191614 1020014160 /nfs/dbraw/zinc/01/41/60/1020014160.db2.gz RMEBLZSNNZSHBP-LJQANCHMSA-N 1 3 348.494 3.965 20 0 EHADHO CC(=O)Nc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000065976579 1020518218 /nfs/dbraw/zinc/51/82/18/1020518218.db2.gz QZABAPXUMKARSB-UHFFFAOYSA-N 1 3 339.483 3.775 20 0 EHADHO CC(=O)Nc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976579 1020518225 /nfs/dbraw/zinc/51/82/25/1020518225.db2.gz QZABAPXUMKARSB-UHFFFAOYSA-N 1 3 339.483 3.775 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035348 1020671967 /nfs/dbraw/zinc/67/19/67/1020671967.db2.gz ILCZUXZTTIQHMI-RHSMWYFYSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501035348 1020671971 /nfs/dbraw/zinc/67/19/71/1020671971.db2.gz ILCZUXZTTIQHMI-RHSMWYFYSA-N 1 3 339.321 3.920 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414901900 1021738842 /nfs/dbraw/zinc/73/88/42/1021738842.db2.gz GQIINMADUSTOEK-JXFKEZNVSA-N 1 3 331.504 3.506 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CCC3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000441052976 1021958902 /nfs/dbraw/zinc/95/89/02/1021958902.db2.gz RXKDONSCIXMIJO-PMACEKPBSA-N 1 3 349.607 3.939 20 0 EHADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414928994 1022634324 /nfs/dbraw/zinc/63/43/24/1022634324.db2.gz QXHIKSPDOYOYAY-OALUTQOASA-N 1 3 340.467 3.634 20 0 EHADHO COc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167977882 1022741575 /nfs/dbraw/zinc/74/15/75/1022741575.db2.gz HUYLFWPXVHSWSZ-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO COc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167977882 1022741588 /nfs/dbraw/zinc/74/15/88/1022741588.db2.gz HUYLFWPXVHSWSZ-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001167977882 1022741600 /nfs/dbraw/zinc/74/16/00/1022741600.db2.gz HUYLFWPXVHSWSZ-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO Clc1ccc2c(c1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167981866 1022785868 /nfs/dbraw/zinc/78/58/68/1022785868.db2.gz NOZDABQLPHWBAE-UMQXSMKFSA-N 1 3 330.903 3.802 20 0 EHADHO Clc1ccc2c(c1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167981866 1022785886 /nfs/dbraw/zinc/78/58/86/1022785886.db2.gz NOZDABQLPHWBAE-UMQXSMKFSA-N 1 3 330.903 3.802 20 0 EHADHO Cc1cccc([C@H](C)[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000441475521 1023087753 /nfs/dbraw/zinc/08/77/53/1023087753.db2.gz QCQZTJWVXIYFMD-OTWHNJEPSA-N 1 3 330.516 3.877 20 0 EHADHO CCCN(CCOc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431064180 1023194958 /nfs/dbraw/zinc/19/49/58/1023194958.db2.gz CQMOFJBWMLMAQT-UHFFFAOYSA-N 1 3 330.394 3.548 20 0 EHADHO CCC[N@H+](CCOc1ccccc1C(F)(F)F)C1CCNCC1 ZINC000431064180 1023194964 /nfs/dbraw/zinc/19/49/64/1023194964.db2.gz CQMOFJBWMLMAQT-UHFFFAOYSA-N 1 3 330.394 3.548 20 0 EHADHO CCC[N@@H+](CCOc1ccccc1C(F)(F)F)C1CCNCC1 ZINC000431064180 1023194969 /nfs/dbraw/zinc/19/49/69/1023194969.db2.gz CQMOFJBWMLMAQT-UHFFFAOYSA-N 1 3 330.394 3.548 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000283181853 1023381199 /nfs/dbraw/zinc/38/11/99/1023381199.db2.gz FFAKBVGONWYEKV-LJQANCHMSA-N 1 3 349.950 3.545 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000283181853 1023381206 /nfs/dbraw/zinc/38/12/06/1023381206.db2.gz FFAKBVGONWYEKV-LJQANCHMSA-N 1 3 349.950 3.545 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000536219802 1033146978 /nfs/dbraw/zinc/14/69/78/1033146978.db2.gz KBLAIBFUNMACQF-SFHVURJKSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000536219802 1033146997 /nfs/dbraw/zinc/14/69/97/1033146997.db2.gz KBLAIBFUNMACQF-SFHVURJKSA-N 1 3 343.515 3.650 20 0 EHADHO CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(C)C ZINC000474096551 1024153585 /nfs/dbraw/zinc/15/35/85/1024153585.db2.gz NALNCTSBWBKPEH-MHTWAQMVSA-N 1 3 330.516 3.548 20 0 EHADHO C[C@@H](CCN1CC[C@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039536 1024188529 /nfs/dbraw/zinc/18/85/29/1024188529.db2.gz POPSXWWQEKHVQW-GHTZIAJQSA-N 1 3 330.516 3.646 20 0 EHADHO C[C@@H](CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039536 1024188540 /nfs/dbraw/zinc/18/85/40/1024188540.db2.gz POPSXWWQEKHVQW-GHTZIAJQSA-N 1 3 330.516 3.646 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c(C)c1 ZINC000414858601 1024505983 /nfs/dbraw/zinc/50/59/83/1024505983.db2.gz KGAKGUJKKGHSET-KRWDZBQOSA-N 1 3 331.504 3.662 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CC4(C3)COC(C)(C)C4)CC2)C1 ZINC000897973303 1033248927 /nfs/dbraw/zinc/24/89/27/1033248927.db2.gz QQYWFAHHIYMHNJ-BZYYEOTJSA-N 1 3 334.548 3.967 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942217 1025017444 /nfs/dbraw/zinc/01/74/44/1025017444.db2.gz XDZRXUSFQCGXRR-IHPCNDPISA-N 1 3 348.531 3.873 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCc2ccccc2F)c1 ZINC000469854186 1025179979 /nfs/dbraw/zinc/17/99/79/1025179979.db2.gz VXLBSHWHBITXIA-WBVHZDCISA-N 1 3 328.431 3.574 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000522779138 1025284157 /nfs/dbraw/zinc/28/41/57/1025284157.db2.gz NTOPVRDGTXCLCI-IBGZPJMESA-N 1 3 338.536 3.698 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442709805 1025436137 /nfs/dbraw/zinc/43/61/37/1025436137.db2.gz BCXZALKIUZPMSB-ZACQAIPSSA-N 1 3 325.500 3.593 20 0 EHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442779243 1025473145 /nfs/dbraw/zinc/47/31/45/1025473145.db2.gz LORYWUVHCXCCRQ-IXDOHACOSA-N 1 3 337.467 3.669 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000521632819 1025533317 /nfs/dbraw/zinc/53/33/17/1025533317.db2.gz WWGIZKSNCVPORF-GJZGRUSLSA-N 1 3 331.485 3.533 20 0 EHADHO C[C@@H](C[NH3+])CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414883517 1025663932 /nfs/dbraw/zinc/66/39/32/1025663932.db2.gz VFZCGPCLGHKEPK-ZDUSSCGKSA-N 1 3 334.895 3.643 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000347253796 1025734251 /nfs/dbraw/zinc/73/42/51/1025734251.db2.gz BKGYYLHTQGPJAF-KRWDZBQOSA-N 1 3 331.504 3.731 20 0 EHADHO Cc1ccccc1[C@@H]([C@@H](C)NC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000443204909 1025811621 /nfs/dbraw/zinc/81/16/21/1025811621.db2.gz QVOYPRRBZOBAGK-YLJYHZDGSA-N 1 3 331.548 3.839 20 0 EHADHO C1C[C@H]([C@@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)CO1 ZINC000474049273 1026068953 /nfs/dbraw/zinc/06/89/53/1026068953.db2.gz XCTDKCONXIAYSG-DZFGPLHGSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000530701398 1026229965 /nfs/dbraw/zinc/22/99/65/1026229965.db2.gz VJZXATAZSYGIJN-HMVHIAHLSA-N 1 3 342.527 3.911 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1csc(C(F)(F)F)c1 ZINC000925238787 1026360034 /nfs/dbraw/zinc/36/00/34/1026360034.db2.gz ATVZGLFLTKMFIN-AAEUAGOBSA-N 1 3 338.439 3.774 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901494 1026385895 /nfs/dbraw/zinc/38/58/95/1026385895.db2.gz DHJUQSMWDGYVLK-JSGCOSHPSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901494 1026385907 /nfs/dbraw/zinc/38/59/07/1026385907.db2.gz DHJUQSMWDGYVLK-JSGCOSHPSA-N 1 3 343.284 3.893 20 0 EHADHO Fc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152674989 1026511382 /nfs/dbraw/zinc/51/13/82/1026511382.db2.gz QQNWJTVCYXZGIS-UHFFFAOYSA-N 1 3 342.462 3.524 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140072 1026621145 /nfs/dbraw/zinc/62/11/45/1026621145.db2.gz HOPNEPUYLCIBPU-JSGCOSHPSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140072 1026621153 /nfs/dbraw/zinc/62/11/53/1026621153.db2.gz HOPNEPUYLCIBPU-JSGCOSHPSA-N 1 3 343.284 3.893 20 0 EHADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700563 1027222459 /nfs/dbraw/zinc/22/24/59/1027222459.db2.gz NLWQQJOLAHPCNJ-MJGOQNOKSA-N 1 3 340.467 3.586 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc(C)s2)cc1 ZINC000420300802 1027450794 /nfs/dbraw/zinc/45/07/94/1027450794.db2.gz KQEFGTRAZNDJKE-FUHWJXTLSA-N 1 3 330.497 3.945 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccc(C)s2)cc1 ZINC000420300802 1027450803 /nfs/dbraw/zinc/45/08/03/1027450803.db2.gz KQEFGTRAZNDJKE-FUHWJXTLSA-N 1 3 330.497 3.945 20 0 EHADHO Brc1cccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000212271579 1027562449 /nfs/dbraw/zinc/56/24/49/1027562449.db2.gz ZLKWODCAHFFQFG-CQSZACIVSA-N 1 3 337.305 3.628 20 0 EHADHO COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414656014 1027727092 /nfs/dbraw/zinc/72/70/92/1027727092.db2.gz FBCVGQSUNHKHOI-CVEARBPZSA-N 1 3 340.467 3.540 20 0 EHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665805 1027773779 /nfs/dbraw/zinc/77/37/79/1027773779.db2.gz VYZDOIKJWXDPCD-MAUKXSAKSA-N 1 3 328.431 3.574 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705581 1027865753 /nfs/dbraw/zinc/86/57/53/1027865753.db2.gz SAGDCWWUGZTOSN-CYBMUJFWSA-N 1 3 329.875 3.885 20 0 EHADHO CC(C)(C)c1csc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422737156 1027880225 /nfs/dbraw/zinc/88/02/25/1027880225.db2.gz HQKGBEUROVGAIY-OWCLPIDISA-N 1 3 335.561 3.884 20 0 EHADHO COc1cccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422719192 1027886561 /nfs/dbraw/zinc/88/65/61/1027886561.db2.gz XVOSVLUSTALMMP-PAXLWEDBSA-N 1 3 338.451 3.602 20 0 EHADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422758261 1027900270 /nfs/dbraw/zinc/90/02/70/1027900270.db2.gz JGGMWRLAOQCHBB-LWYYNNOASA-N 1 3 345.506 3.613 20 0 EHADHO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCC(C)CC1)c1cnccc1N ZINC000422749074 1027915619 /nfs/dbraw/zinc/91/56/19/1027915619.db2.gz XKGXTBKEQSFLNM-MAUKXSAKSA-N 1 3 344.528 3.679 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422773541 1027929585 /nfs/dbraw/zinc/92/95/85/1027929585.db2.gz UKGQJGJQTNKBHP-DLBZAZTESA-N 1 3 334.467 3.755 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCSc1ccc(F)cc1 ZINC000422763547 1027945749 /nfs/dbraw/zinc/94/57/49/1027945749.db2.gz OVLNVNJKIJVLOG-BEFAXECRSA-N 1 3 332.488 3.856 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422805983 1027955960 /nfs/dbraw/zinc/95/59/60/1027955960.db2.gz HLVFDFZZYUSOCW-MSOLQXFVSA-N 1 3 348.494 3.814 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000422854482 1027990941 /nfs/dbraw/zinc/99/09/41/1027990941.db2.gz CWXAKNPFVZTTOR-AVRDEDQJSA-N 1 3 338.495 3.881 20 0 EHADHO CSCc1cc(F)ccc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422861782 1027996894 /nfs/dbraw/zinc/99/68/94/1027996894.db2.gz JOKKEQHBHJHWCO-LBPRGKRZSA-N 1 3 333.476 3.702 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1SCCc2ccccc21 ZINC000422842539 1028001913 /nfs/dbraw/zinc/00/19/13/1028001913.db2.gz YQGUEDJRKUONJM-CWFSZBLJSA-N 1 3 326.509 3.565 20 0 EHADHO C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCCC1)C1C[NH2+]C1 ZINC000422899602 1028038377 /nfs/dbraw/zinc/03/83/77/1028038377.db2.gz HUOGATBWKFPEKL-CYBMUJFWSA-N 1 3 326.406 3.715 20 0 EHADHO COc1ccc(C[C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC000444589937 1028048999 /nfs/dbraw/zinc/04/89/99/1028048999.db2.gz AGRHWRZBTJPXGV-FQEVSTJZSA-N 1 3 330.516 3.826 20 0 EHADHO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422934707 1028065086 /nfs/dbraw/zinc/06/50/86/1028065086.db2.gz GHLAFTOGDVKBQR-VBKZILBWSA-N 1 3 325.456 3.659 20 0 EHADHO CC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1cccc(C)c1 ZINC000422918405 1028073694 /nfs/dbraw/zinc/07/36/94/1028073694.db2.gz HKHMORYDBWLTMG-CRAIPNDOSA-N 1 3 327.472 3.665 20 0 EHADHO CC(C)[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])Nc1ccccc1 ZINC000422975890 1028105970 /nfs/dbraw/zinc/10/59/70/1028105970.db2.gz HQOFPVRMMPSHNK-WMQCIHAUSA-N 1 3 325.500 3.671 20 0 EHADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423040927 1028146525 /nfs/dbraw/zinc/14/65/25/1028146525.db2.gz VLBXINJTSMDNAK-JOCLIGHLSA-N 1 3 326.415 3.780 20 0 EHADHO Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000423045936 1028151386 /nfs/dbraw/zinc/15/13/86/1028151386.db2.gz CXSKXAGKEYROPC-GJZGRUSLSA-N 1 3 329.513 3.989 20 0 EHADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423140881 1028225926 /nfs/dbraw/zinc/22/59/26/1028225926.db2.gz NGRHKISSHRCKGL-QSPRXWTASA-N 1 3 337.305 3.945 20 0 EHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1 ZINC000121061226 1028240875 /nfs/dbraw/zinc/24/08/75/1028240875.db2.gz XJMCGHMKJWFCEJ-KRWDZBQOSA-N 1 3 326.484 3.872 20 0 EHADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1 ZINC000121061393 1028241280 /nfs/dbraw/zinc/24/12/80/1028241280.db2.gz XJMCGHMKJWFCEJ-QGZVFWFLSA-N 1 3 326.484 3.872 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc(-c2ccccc2)nn1C ZINC000423293431 1028329548 /nfs/dbraw/zinc/32/95/48/1028329548.db2.gz RIDJOTJLGKNILU-JKSUJKDBSA-N 1 3 334.467 3.958 20 0 EHADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423294514 1028351349 /nfs/dbraw/zinc/35/13/49/1028351349.db2.gz UPCWRPWPHKPALT-IFXJQAMLSA-N 1 3 326.440 3.718 20 0 EHADHO Cc1cc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000423430131 1028439945 /nfs/dbraw/zinc/43/99/45/1028439945.db2.gz HXPGWQMJJRNLLM-TYPHKJRUSA-N 1 3 339.458 3.596 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423474505 1028457918 /nfs/dbraw/zinc/45/79/18/1028457918.db2.gz PDMNPNSXQBLYIK-CRFBAAHOSA-N 1 3 331.410 3.556 20 0 EHADHO C[C@@H](CCCc1cccnc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423531801 1028484078 /nfs/dbraw/zinc/48/40/78/1028484078.db2.gz UHFCCEGJTUADMW-LSOKJPMHSA-N 1 3 327.516 3.536 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000162297474 1028558202 /nfs/dbraw/zinc/55/82/02/1028558202.db2.gz GWMVTRDAZDESDK-MRXNPFEDSA-N 1 3 329.488 3.562 20 0 EHADHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000195136113 1028585075 /nfs/dbraw/zinc/58/50/75/1028585075.db2.gz MKRAVDUAGXPTEF-YLJYHZDGSA-N 1 3 340.515 3.945 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2cccc(F)c2C)o1 ZINC000236938590 1028605290 /nfs/dbraw/zinc/60/52/90/1028605290.db2.gz JXHOIMRIOLXCSZ-MRXNPFEDSA-N 1 3 348.462 3.841 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2ccc(C)cc2)o1 ZINC000237046659 1028618291 /nfs/dbraw/zinc/61/82/91/1028618291.db2.gz SAWBZUOJTOEGAX-SFHVURJKSA-N 1 3 330.472 3.701 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000247141865 1028750392 /nfs/dbraw/zinc/75/03/92/1028750392.db2.gz WEETWLUBVGOWBE-OWCLPIDISA-N 1 3 347.528 3.836 20 0 EHADHO CCN1CC[C@H]([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000248172025 1028855368 /nfs/dbraw/zinc/85/53/68/1028855368.db2.gz UYBVQXMIHZDDCZ-UEXGIBASSA-N 1 3 329.532 3.532 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)[C@@H](C)C1 ZINC000245608152 1028919503 /nfs/dbraw/zinc/91/95/03/1028919503.db2.gz RVDWYTOKWJNPOP-ORYQWCPZSA-N 1 3 348.506 3.930 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)[C@@H](C)C1 ZINC000245608152 1028919515 /nfs/dbraw/zinc/91/95/15/1028919515.db2.gz RVDWYTOKWJNPOP-ORYQWCPZSA-N 1 3 348.506 3.930 20 0 EHADHO CS[C@@H]1CN(c2cc(C)nc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000445603066 1028965638 /nfs/dbraw/zinc/96/56/38/1028965638.db2.gz ZYGHZGISTGFECW-RTBURBONSA-N 1 3 327.497 3.559 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424325673 1028973444 /nfs/dbraw/zinc/97/34/44/1028973444.db2.gz XZSVIVKPZXUDAE-KZNAEPCWSA-N 1 3 329.513 3.889 20 0 EHADHO Cc1cc(C[N@@H+](C)C2(CN)CCC2)cc(C)c1OCc1ccccn1 ZINC000414791830 1029091614 /nfs/dbraw/zinc/09/16/14/1029091614.db2.gz RJHZIPKXBVXRRH-UHFFFAOYSA-N 1 3 339.483 3.591 20 0 EHADHO Cc1cc(C[N@H+](C)C2(CN)CCC2)cc(C)c1OCc1ccccn1 ZINC000414791830 1029091632 /nfs/dbraw/zinc/09/16/32/1029091632.db2.gz RJHZIPKXBVXRRH-UHFFFAOYSA-N 1 3 339.483 3.591 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000414794418 1029105501 /nfs/dbraw/zinc/10/55/01/1029105501.db2.gz FQEAYSXVNDHLEJ-HHXXYDBFSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC2(Br)CC2)CC1 ZINC001167658874 1029196727 /nfs/dbraw/zinc/19/67/27/1029196727.db2.gz LRUXXUDTPYLFQO-HNNXBMFYSA-N 1 3 343.353 3.890 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CC2(Br)CC2)CC1 ZINC001167658874 1029196736 /nfs/dbraw/zinc/19/67/36/1029196736.db2.gz LRUXXUDTPYLFQO-HNNXBMFYSA-N 1 3 343.353 3.890 20 0 EHADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414802147 1029202958 /nfs/dbraw/zinc/20/29/58/1029202958.db2.gz BETHPNGCOSNLIC-NSHDSACASA-N 1 3 331.273 3.626 20 0 EHADHO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272164172 1029339827 /nfs/dbraw/zinc/33/98/27/1029339827.db2.gz GNFISHKJWROWOJ-FXAWDEMLSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000453215998 1029925786 /nfs/dbraw/zinc/92/57/86/1029925786.db2.gz LBAKNFBRGVTSFQ-MRXNPFEDSA-N 1 3 338.499 3.612 20 0 EHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000556042875 1030096506 /nfs/dbraw/zinc/09/65/06/1030096506.db2.gz AVLNWSJGMHEDAW-CYBMUJFWSA-N 1 3 337.305 3.974 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928140 1030127989 /nfs/dbraw/zinc/12/79/89/1030127989.db2.gz QXJXDYPRQNTUQI-CABCVRRESA-N 1 3 328.422 3.958 20 0 EHADHO O[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC000090522321 1030133190 /nfs/dbraw/zinc/13/31/90/1030133190.db2.gz DUNDYKFPCXKHPF-VSKRKVRLSA-N 1 3 342.527 3.812 20 0 EHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000650722595 1030195359 /nfs/dbraw/zinc/19/53/59/1030195359.db2.gz XORDHHUVYUEDPL-IKGGRYGDSA-N 1 3 342.405 3.566 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCOCC2CCCC2)C3)cc1 ZINC000453398023 1030207262 /nfs/dbraw/zinc/20/72/62/1030207262.db2.gz MIVGVZGKHXAEAK-DKUWSORSSA-N 1 3 342.527 3.978 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCOCC2CCCC2)C3)cc1 ZINC000453398023 1030207281 /nfs/dbraw/zinc/20/72/81/1030207281.db2.gz MIVGVZGKHXAEAK-DKUWSORSSA-N 1 3 342.527 3.978 20 0 EHADHO CCC(C)(C)OCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000453421142 1030273681 /nfs/dbraw/zinc/27/36/81/1030273681.db2.gz YIIXKGDBMUNHRK-GOSISDBHSA-N 1 3 332.532 3.877 20 0 EHADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000447745181 1030464113 /nfs/dbraw/zinc/46/41/13/1030464113.db2.gz LWMRCZHFJGXUNZ-NRFANRHFSA-N 1 3 338.495 3.958 20 0 EHADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000447745181 1030464121 /nfs/dbraw/zinc/46/41/21/1030464121.db2.gz LWMRCZHFJGXUNZ-NRFANRHFSA-N 1 3 338.495 3.958 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000278398472 1030612534 /nfs/dbraw/zinc/61/25/34/1030612534.db2.gz GISHMDZYDCBAHI-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000278398472 1030612537 /nfs/dbraw/zinc/61/25/37/1030612537.db2.gz GISHMDZYDCBAHI-NYVOZVTQSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc(CN2CCSCC2)cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892354836 1030645219 /nfs/dbraw/zinc/64/52/19/1030645219.db2.gz JPOCAFLVWNYRCX-YQQQUEKLSA-N 1 3 345.556 3.581 20 0 EHADHO Cc1ccc(CN2CCSCC2)cc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892354836 1030645226 /nfs/dbraw/zinc/64/52/26/1030645226.db2.gz JPOCAFLVWNYRCX-YQQQUEKLSA-N 1 3 345.556 3.581 20 0 EHADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(N2CCCCC2)c1 ZINC001168353102 1030808030 /nfs/dbraw/zinc/80/80/30/1030808030.db2.gz KSOCXMHRZRRVDP-UHFFFAOYSA-N 1 3 327.516 3.641 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000482977632 1030876028 /nfs/dbraw/zinc/87/60/28/1030876028.db2.gz GBZQBIMQROWWIG-VWKPWSFCSA-N 1 3 346.490 3.634 20 0 EHADHO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000527534849 1030955005 /nfs/dbraw/zinc/95/50/05/1030955005.db2.gz NNQDUIFPBGNNCS-QFIPXVFZSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000527534849 1030955020 /nfs/dbraw/zinc/95/50/20/1030955020.db2.gz NNQDUIFPBGNNCS-QFIPXVFZSA-N 1 3 335.495 3.878 20 0 EHADHO CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000527848929 1031366169 /nfs/dbraw/zinc/36/61/69/1031366169.db2.gz KOIZRRQMUUVHJK-RBUKOAKNSA-N 1 3 331.548 3.878 20 0 EHADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000484130342 1031462290 /nfs/dbraw/zinc/46/22/90/1031462290.db2.gz MFNGZYXXJAJMNY-WSTZPKSXSA-N 1 3 329.532 3.580 20 0 EHADHO COc1cc2ccc([C@H](C)[NH2+]CCCN3CCCC3)cc2cc1OC ZINC000657825474 1031642194 /nfs/dbraw/zinc/64/21/94/1031642194.db2.gz WXLDKOZVAROSGT-INIZCTEOSA-N 1 3 342.483 3.994 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC)[C@@H](C)C1 ZINC000484637640 1031805774 /nfs/dbraw/zinc/80/57/74/1031805774.db2.gz JGYODJZOKITTTN-ICSRJNTNSA-N 1 3 348.531 3.620 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000537954595 1032040688 /nfs/dbraw/zinc/04/06/88/1032040688.db2.gz NUOHYGJONLDBTL-YSZBQJHXSA-N 1 3 349.522 3.673 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001168413800 1033429128 /nfs/dbraw/zinc/42/91/28/1033429128.db2.gz AUPLLKKMAWNFAT-OAQYLSRUSA-N 1 3 330.491 3.927 20 0 EHADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000595035623 1033655114 /nfs/dbraw/zinc/65/51/14/1033655114.db2.gz YIJCUKZHJBLRNG-ULQDDVLXSA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000669684341 1033675367 /nfs/dbraw/zinc/67/53/67/1033675367.db2.gz HTBPVTWQKIUWDU-AYWYSENESA-N 1 3 330.516 3.690 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000685665219 1033714282 /nfs/dbraw/zinc/71/42/82/1033714282.db2.gz OINCMFZFGPYXJQ-UYAOXDASSA-N 1 3 330.516 3.693 20 0 EHADHO C[NH+](C)C1CCC(NCc2c(F)cc(Br)cc2F)CC1 ZINC001168306037 1033759363 /nfs/dbraw/zinc/75/93/63/1033759363.db2.gz YBRCJWANDSMRBW-UHFFFAOYSA-N 1 3 347.247 3.690 20 0 EHADHO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000623470170 1033796369 /nfs/dbraw/zinc/79/63/69/1033796369.db2.gz BPKVPASTRMNZSM-UYAOXDASSA-N 1 3 340.515 3.704 20 0 EHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658061948 1033876942 /nfs/dbraw/zinc/87/69/42/1033876942.db2.gz PWYAJMWWNTXODW-RXVVDRJESA-N 1 3 343.559 3.544 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230308 1034093142 /nfs/dbraw/zinc/09/31/42/1034093142.db2.gz XTHHVCFAVSTNKG-SJORKVTESA-N 1 3 340.515 3.881 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230308 1034093157 /nfs/dbraw/zinc/09/31/57/1034093157.db2.gz XTHHVCFAVSTNKG-SJORKVTESA-N 1 3 340.515 3.881 20 0 EHADHO Cc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1F ZINC000119401320 1034140043 /nfs/dbraw/zinc/14/00/43/1034140043.db2.gz MXIHAYQPQOHXEU-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO Fc1cc2c(c(F)c1F)[C@H](NCC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658352607 1034233121 /nfs/dbraw/zinc/23/31/21/1034233121.db2.gz HEIHFJAFURKTBC-MRXNPFEDSA-N 1 3 338.417 3.803 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000604769612 1034487379 /nfs/dbraw/zinc/48/73/79/1034487379.db2.gz AGJZVEWQTAFHNB-MRXNPFEDSA-N 1 3 334.467 3.878 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000604769612 1034487391 /nfs/dbraw/zinc/48/73/91/1034487391.db2.gz AGJZVEWQTAFHNB-MRXNPFEDSA-N 1 3 334.467 3.878 20 0 EHADHO c1nc(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000450647405 1034636720 /nfs/dbraw/zinc/63/67/20/1034636720.db2.gz ODTNRGWHIULLEE-UHFFFAOYSA-N 1 3 341.524 3.674 20 0 EHADHO c1nc(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000450647405 1034636730 /nfs/dbraw/zinc/63/67/30/1034636730.db2.gz ODTNRGWHIULLEE-UHFFFAOYSA-N 1 3 341.524 3.674 20 0 EHADHO Cc1ccc(CNC[C@H](C)C[NH+]2CCCCC2)c(-c2cnn(C)c2)c1 ZINC000548976377 1035364505 /nfs/dbraw/zinc/36/45/05/1035364505.db2.gz XJSHIYNSJIXOPO-SFHVURJKSA-N 1 3 340.515 3.607 20 0 EHADHO C[C@@H](c1ccccc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956320 1035730332 /nfs/dbraw/zinc/73/03/32/1035730332.db2.gz MWEWSMMGTHHBPH-INIZCTEOSA-N 1 3 336.907 3.978 20 0 EHADHO C[C@H]([NH2+]Cc1ccccc1N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492420726 1035757393 /nfs/dbraw/zinc/75/73/93/1035757393.db2.gz FWVOXSUGYAHKAI-GHTZIAJQSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000666172181 1035815101 /nfs/dbraw/zinc/81/51/01/1035815101.db2.gz RXUMIIYIHIOJCU-NEPJUHHUSA-N 1 3 331.323 3.893 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172181 1035815121 /nfs/dbraw/zinc/81/51/21/1035815121.db2.gz RXUMIIYIHIOJCU-NEPJUHHUSA-N 1 3 331.323 3.893 20 0 EHADHO Cc1cccc(OCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492518066 1035911643 /nfs/dbraw/zinc/91/16/43/1035911643.db2.gz ZWPFJBOTFRZYEU-CTNGQTDRSA-N 1 3 338.495 3.874 20 0 EHADHO Cc1cc([C@@H](NCC[C@H]2CCC[N@@H+](C)C2)c2cccnc2)ccc1F ZINC000414191886 1035975873 /nfs/dbraw/zinc/97/58/73/1035975873.db2.gz SCPJCJNDOPTBGW-DYESRHJHSA-N 1 3 341.474 3.940 20 0 EHADHO Cc1cc([C@@H](NCC[C@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191886 1035975881 /nfs/dbraw/zinc/97/58/81/1035975881.db2.gz SCPJCJNDOPTBGW-DYESRHJHSA-N 1 3 341.474 3.940 20 0 EHADHO CCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000892595985 1036439739 /nfs/dbraw/zinc/43/97/39/1036439739.db2.gz CQZCTGRSNJLBFY-CCNLRDMRSA-N 1 3 332.488 3.760 20 0 EHADHO C[C@@H]1CC([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@@H](C)O1 ZINC000539408177 1036728090 /nfs/dbraw/zinc/72/80/90/1036728090.db2.gz GRGYORYPMCFJKK-MDZRGWNJSA-N 1 3 344.499 3.520 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647543471 1037090646 /nfs/dbraw/zinc/09/06/46/1037090646.db2.gz OEDHRYCAJRKBRY-RBUKOAKNSA-N 1 3 339.483 3.862 20 0 EHADHO C[N@H+](CCc1cccc(F)c1F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542280630 1037241715 /nfs/dbraw/zinc/24/17/15/1037241715.db2.gz SAEIBLCCOFTWMZ-SFHVURJKSA-N 1 3 344.449 3.961 20 0 EHADHO C[N@@H+](CCc1cccc(F)c1F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542280630 1037241725 /nfs/dbraw/zinc/24/17/25/1037241725.db2.gz SAEIBLCCOFTWMZ-SFHVURJKSA-N 1 3 344.449 3.961 20 0 EHADHO CCCN1CCC([N@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000539880663 1037317818 /nfs/dbraw/zinc/31/78/18/1037317818.db2.gz AROPCCRHXUOSGW-UHFFFAOYSA-N 1 3 328.859 3.664 20 0 EHADHO CCCN1CCC([N@@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000539880663 1037317837 /nfs/dbraw/zinc/31/78/37/1037317837.db2.gz AROPCCRHXUOSGW-UHFFFAOYSA-N 1 3 328.859 3.664 20 0 EHADHO c1cnn(CCCCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000104959770 1037599318 /nfs/dbraw/zinc/59/93/18/1037599318.db2.gz HEJKBERPTAKZEB-FQEVSTJZSA-N 1 3 332.536 3.641 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccc(OC)nc2)CC1)CC(C)C ZINC000540194993 1037687345 /nfs/dbraw/zinc/68/73/45/1037687345.db2.gz NAOFOVCULKLKHC-UHFFFAOYSA-N 1 3 333.520 3.670 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccc(OC)nc2)CC1)CC(C)C ZINC000540194993 1037687360 /nfs/dbraw/zinc/68/73/60/1037687360.db2.gz NAOFOVCULKLKHC-UHFFFAOYSA-N 1 3 333.520 3.670 20 0 EHADHO C[C@@H]1C[C@@H](NCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116835 1037786155 /nfs/dbraw/zinc/78/61/55/1037786155.db2.gz SFZZKTZMOWYWRX-NQIIRXRSSA-N 1 3 337.511 3.895 20 0 EHADHO C[C@@H]1C[C@@H](NCc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116835 1037786168 /nfs/dbraw/zinc/78/61/68/1037786168.db2.gz SFZZKTZMOWYWRX-NQIIRXRSSA-N 1 3 337.511 3.895 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N1CCC(C)CC1 ZINC000463119593 1037786350 /nfs/dbraw/zinc/78/63/50/1037786350.db2.gz PJPLGISGYCYQMQ-VWPQPMDRSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000463146752 1037814582 /nfs/dbraw/zinc/81/45/82/1037814582.db2.gz PLFRRDCSTITSPY-XAPVIXHLSA-N 1 3 343.559 3.750 20 0 EHADHO Cc1nc2ccc(CNC3CC[NH+](CCOC(C)C)CC3)cc2s1 ZINC000494134667 1037859716 /nfs/dbraw/zinc/85/97/16/1037859716.db2.gz FZIDXONYTLEBRZ-UHFFFAOYSA-N 1 3 347.528 3.584 20 0 EHADHO COC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000540405881 1037901500 /nfs/dbraw/zinc/90/15/00/1037901500.db2.gz DVGUGUSIHKIJPY-KXBFYZLASA-N 1 3 340.458 3.897 20 0 EHADHO COC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000540405881 1037901515 /nfs/dbraw/zinc/90/15/15/1037901515.db2.gz DVGUGUSIHKIJPY-KXBFYZLASA-N 1 3 340.458 3.897 20 0 EHADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001168251509 1038174943 /nfs/dbraw/zinc/17/49/43/1038174943.db2.gz KPMGWEYAECKEAY-LJQANCHMSA-N 1 3 328.500 3.549 20 0 EHADHO COc1ccc2c(c1)C[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168251509 1038174955 /nfs/dbraw/zinc/17/49/55/1038174955.db2.gz KPMGWEYAECKEAY-LJQANCHMSA-N 1 3 328.500 3.549 20 0 EHADHO COc1cc2c(cc1CN1CCC(CCC[NH+](C)C)CC1)O[C@@H](C)C2 ZINC000538750446 1038514432 /nfs/dbraw/zinc/51/44/32/1038514432.db2.gz BRHIRJMJBZGZPS-INIZCTEOSA-N 1 3 346.515 3.572 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000539073766 1038671693 /nfs/dbraw/zinc/67/16/93/1038671693.db2.gz YJOVMAMEECYBQA-VURPSTOHSA-N 1 3 330.516 3.802 20 0 EHADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552289910 1039140694 /nfs/dbraw/zinc/14/06/94/1039140694.db2.gz PNPQGVMWTFDFDT-UFYCRDLUSA-N 1 3 345.556 3.520 20 0 EHADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552289910 1039140705 /nfs/dbraw/zinc/14/07/05/1039140705.db2.gz PNPQGVMWTFDFDT-UFYCRDLUSA-N 1 3 345.556 3.520 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000552338601 1039211645 /nfs/dbraw/zinc/21/16/45/1039211645.db2.gz IXCFLRYUIQAQAC-PBHICJAKSA-N 1 3 337.895 3.521 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000552338601 1039211663 /nfs/dbraw/zinc/21/16/63/1039211663.db2.gz IXCFLRYUIQAQAC-PBHICJAKSA-N 1 3 337.895 3.521 20 0 EHADHO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCCN2CCCC2)cc1F ZINC000480159812 1039246420 /nfs/dbraw/zinc/24/64/20/1039246420.db2.gz DUPIFWBZMBSMFF-IEBWSBKVSA-N 1 3 334.479 3.936 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222986 1039323416 /nfs/dbraw/zinc/32/34/16/1039323416.db2.gz IJWWEFZLZZKSCA-AVRDEDQJSA-N 1 3 349.522 3.679 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222986 1039323430 /nfs/dbraw/zinc/32/34/30/1039323430.db2.gz IJWWEFZLZZKSCA-AVRDEDQJSA-N 1 3 349.522 3.679 20 0 EHADHO c1ccc([C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]2CCOC2)cc1 ZINC000552525191 1039352825 /nfs/dbraw/zinc/35/28/25/1039352825.db2.gz HBJONUWGTQWGRJ-NQIIRXRSSA-N 1 3 328.500 3.761 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709012 1039764994 /nfs/dbraw/zinc/76/49/94/1039764994.db2.gz RADKRSDYXVMZRI-QAPCUYQASA-N 1 3 327.497 3.745 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667709012 1039765010 /nfs/dbraw/zinc/76/50/10/1039765010.db2.gz RADKRSDYXVMZRI-QAPCUYQASA-N 1 3 327.497 3.745 20 0 EHADHO FC(F)(F)C1CCN(C2CC(Nc3[nH+]ccc4[nH]ccc43)C2)CC1 ZINC000663860365 1040154453 /nfs/dbraw/zinc/15/44/53/1040154453.db2.gz KAKIFRVYTYGLJL-UHFFFAOYSA-N 1 3 338.377 3.780 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000555099221 1040156347 /nfs/dbraw/zinc/15/63/47/1040156347.db2.gz KXKTUDZFMGTNEF-DKZLNJBMSA-N 1 3 338.442 3.963 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000555099221 1040156352 /nfs/dbraw/zinc/15/63/52/1040156352.db2.gz KXKTUDZFMGTNEF-DKZLNJBMSA-N 1 3 338.442 3.963 20 0 EHADHO C[C@@H](c1ccccc1Br)N1CCC(C[NH+](C)C)CC1 ZINC000480997086 1040260810 /nfs/dbraw/zinc/26/08/10/1040260810.db2.gz HMDPBHYRCWPQKY-ZDUSSCGKSA-N 1 3 325.294 3.784 20 0 EHADHO CC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000512649852 1040395416 /nfs/dbraw/zinc/39/54/16/1040395416.db2.gz UZUJAKOFUSKIDH-QHAWAJNXSA-N 1 3 342.527 3.693 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(C)C ZINC000512660144 1040442246 /nfs/dbraw/zinc/44/22/46/1040442246.db2.gz LJJPKECXXLVMBV-DOIPELPJSA-N 1 3 330.516 3.548 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000120143598 1040515413 /nfs/dbraw/zinc/51/54/13/1040515413.db2.gz NSWOKBLGPPTUOP-MSOLQXFVSA-N 1 3 326.488 3.787 20 0 EHADHO C[NH+](C)CCC1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000659851034 1040544066 /nfs/dbraw/zinc/54/40/66/1040544066.db2.gz CYUCWGPLQQRINA-UHFFFAOYSA-N 1 3 328.472 3.721 20 0 EHADHO Cc1cccc2c1ncc(C)c2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664010575 1040778018 /nfs/dbraw/zinc/77/80/18/1040778018.db2.gz DMUOJQBFZGPIKX-UHFFFAOYSA-N 1 3 339.483 3.543 20 0 EHADHO Cc1cccc2c1ncc(C)c2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664010575 1040778034 /nfs/dbraw/zinc/77/80/34/1040778034.db2.gz DMUOJQBFZGPIKX-UHFFFAOYSA-N 1 3 339.483 3.543 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147872 1041092264 /nfs/dbraw/zinc/09/22/64/1041092264.db2.gz ONSBHULYXWJWEB-YLJYHZDGSA-N 1 3 348.494 3.574 20 0 EHADHO CC[NH+](CC)CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759842908 1041093990 /nfs/dbraw/zinc/09/39/90/1041093990.db2.gz FCMCZXJXXGNAHO-SFHVURJKSA-N 1 3 342.886 3.566 20 0 EHADHO Cc1ccc(-c2cnc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662294713 1042664471 /nfs/dbraw/zinc/66/44/71/1042664471.db2.gz SETZUXMLAQGDNL-IBGZPJMESA-N 1 3 339.483 3.862 20 0 EHADHO COc1cccc(OC)c1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000512087030 1043172431 /nfs/dbraw/zinc/17/24/31/1043172431.db2.gz HLHKFNPRODHJKB-IRXDYDNUSA-N 1 3 334.504 3.552 20 0 EHADHO CN1CCC(O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000344120286 1043289463 /nfs/dbraw/zinc/28/94/63/1043289463.db2.gz ZIRKXTKNSKFDEC-KRWDZBQOSA-N 1 3 338.923 3.864 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000344461831 1044033853 /nfs/dbraw/zinc/03/38/53/1044033853.db2.gz KQKXFYVCQIFAQO-UHFFFAOYSA-N 1 3 338.923 3.971 20 0 EHADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCCCO2 ZINC000171129079 1126752357 /nfs/dbraw/zinc/75/23/57/1126752357.db2.gz YCDQCYSOQGZVMF-INIZCTEOSA-N 1 3 340.467 3.760 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1(C)C ZINC000623357406 1126929344 /nfs/dbraw/zinc/92/93/44/1126929344.db2.gz NDSPDIVAFUZQRJ-LJQANCHMSA-N 1 3 339.483 3.623 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1OC ZINC000623357315 1126931372 /nfs/dbraw/zinc/93/13/72/1126931372.db2.gz IPQTZXQNMPIISR-QGZVFWFLSA-N 1 3 334.504 3.837 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477671 1126968483 /nfs/dbraw/zinc/96/84/83/1126968483.db2.gz OMLLRWSZWYJLKG-KGLIPLIRSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477671 1126968485 /nfs/dbraw/zinc/96/84/85/1126968485.db2.gz OMLLRWSZWYJLKG-KGLIPLIRSA-N 1 3 339.886 3.520 20 0 EHADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000623510732 1126969682 /nfs/dbraw/zinc/96/96/82/1126969682.db2.gz JGNXSPHBWVGANG-SFHVURJKSA-N 1 3 344.886 3.960 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623860834 1127200286 /nfs/dbraw/zinc/20/02/86/1127200286.db2.gz GTEDQALLPPVYCN-KGLIPLIRSA-N 1 3 337.305 3.892 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623860834 1127200290 /nfs/dbraw/zinc/20/02/90/1127200290.db2.gz GTEDQALLPPVYCN-KGLIPLIRSA-N 1 3 337.305 3.892 20 0 EHADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623998120 1127229762 /nfs/dbraw/zinc/22/97/62/1127229762.db2.gz HMTAFGSMSQPGKD-MRXNPFEDSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623998120 1127229764 /nfs/dbraw/zinc/22/97/64/1127229764.db2.gz HMTAFGSMSQPGKD-MRXNPFEDSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624124216 1127257540 /nfs/dbraw/zinc/25/75/40/1127257540.db2.gz ZYUGVVNMAAHMAR-GDBMZVCRSA-N 1 3 339.321 3.702 20 0 EHADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254951 1127423174 /nfs/dbraw/zinc/42/31/74/1127423174.db2.gz RUBIBNJQSCAWBI-FUHWJXTLSA-N 1 3 336.495 3.677 20 0 EHADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254951 1127423176 /nfs/dbraw/zinc/42/31/76/1127423176.db2.gz RUBIBNJQSCAWBI-FUHWJXTLSA-N 1 3 336.495 3.677 20 0 EHADHO Cc1cnn(CCCCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185762332 1127431242 /nfs/dbraw/zinc/43/12/42/1127431242.db2.gz AVDUKIWJQYGMNH-RBUKOAKNSA-N 1 3 332.536 3.604 20 0 EHADHO COCc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381355288 1127483680 /nfs/dbraw/zinc/48/36/80/1127483680.db2.gz NJCOHELHXDPCEU-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355288 1127483682 /nfs/dbraw/zinc/48/36/82/1127483682.db2.gz NJCOHELHXDPCEU-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000381355288 1127483684 /nfs/dbraw/zinc/48/36/84/1127483684.db2.gz NJCOHELHXDPCEU-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(c1)CNC2 ZINC000347502071 1128020405 /nfs/dbraw/zinc/02/04/05/1128020405.db2.gz NIYCFMCIHHYEFQ-UHFFFAOYSA-N 1 3 335.451 3.528 20 0 EHADHO C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000623655764 1128449480 /nfs/dbraw/zinc/44/94/80/1128449480.db2.gz DXPDVIKUCKBFLP-LSDHHAIUSA-N 1 3 339.321 3.874 20 0 EHADHO CN(C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000156143352 1128674508 /nfs/dbraw/zinc/67/45/08/1128674508.db2.gz SGVCCFBGLXTLDB-OAQYLSRUSA-N 1 3 329.532 3.676 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC001648785854 1120014586 /nfs/dbraw/zinc/01/45/86/1120014586.db2.gz IVNMCCOAHKLHFV-VXKWHMMOSA-N 1 3 343.559 3.720 20 0 EHADHO Cc1ccccc1[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC000189931991 1120617616 /nfs/dbraw/zinc/61/76/16/1120617616.db2.gz ZPVIWTLFUUZBJL-OAQYLSRUSA-N 1 3 331.548 3.698 20 0 EHADHO CCN(CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1Cl ZINC000191430702 1120673410 /nfs/dbraw/zinc/67/34/10/1120673410.db2.gz IRJPRHZIGUIYIE-UHFFFAOYSA-N 1 3 337.939 3.578 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)c1ccccc1 ZINC000192791403 1120748661 /nfs/dbraw/zinc/74/86/61/1120748661.db2.gz GKRHFXSZRDTTBK-OAQYLSRUSA-N 1 3 345.575 3.749 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)CN1CCCC1 ZINC000235450063 1121405831 /nfs/dbraw/zinc/40/58/31/1121405831.db2.gz UEMBYCFCVFGQCE-CABCVRRESA-N 1 3 339.321 3.702 20 0 EHADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237346520 1121480397 /nfs/dbraw/zinc/48/03/97/1121480397.db2.gz NTOWTCHACHGWCO-LJQANCHMSA-N 1 3 349.522 3.897 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000397528115 1121770460 /nfs/dbraw/zinc/77/04/60/1121770460.db2.gz YWOZKKHCONXZDP-QGZVFWFLSA-N 1 3 342.458 3.503 20 0 EHADHO C[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)C1CC[NH+](C)CC1 ZINC000672617044 1129030906 /nfs/dbraw/zinc/03/09/06/1129030906.db2.gz GTRODEUEBZXFSA-JTQLQIEISA-N 1 3 336.348 3.804 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000125774415 1122337071 /nfs/dbraw/zinc/33/70/71/1122337071.db2.gz BXFOAISSNRFWBY-JKSUJKDBSA-N 1 3 343.515 3.687 20 0 EHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000556386676 1122958870 /nfs/dbraw/zinc/95/88/70/1122958870.db2.gz PXNUDRXJTQVJMP-UHFFFAOYSA-N 1 3 344.886 3.553 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000556921979 1123211113 /nfs/dbraw/zinc/21/11/13/1123211113.db2.gz ZSOZIEDFBZPYLR-VDGAXYAQSA-N 1 3 344.499 3.632 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000556921979 1123211115 /nfs/dbraw/zinc/21/11/15/1123211115.db2.gz ZSOZIEDFBZPYLR-VDGAXYAQSA-N 1 3 344.499 3.632 20 0 EHADHO Fc1ccc(SCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134875701 1123560039 /nfs/dbraw/zinc/56/00/39/1123560039.db2.gz ZFUIDVWPFSLXEC-DNVCBOLYSA-N 1 3 334.504 3.867 20 0 EHADHO Fc1ccc(SCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134875701 1123560042 /nfs/dbraw/zinc/56/00/42/1123560042.db2.gz ZFUIDVWPFSLXEC-DNVCBOLYSA-N 1 3 334.504 3.867 20 0 EHADHO CSc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245418973 1123820876 /nfs/dbraw/zinc/82/08/76/1123820876.db2.gz BGNIMZMBRFRIFD-IXDOHACOSA-N 1 3 336.545 3.949 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000246824816 1124552654 /nfs/dbraw/zinc/55/26/54/1124552654.db2.gz BJJJZFPWKIZZPA-LRDDRELGSA-N 1 3 328.378 3.504 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000249281799 1124749182 /nfs/dbraw/zinc/74/91/82/1124749182.db2.gz NSOXBGGKEXVOMY-KLHDSHLOSA-N 1 3 336.442 3.587 20 0 EHADHO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1ccncc1F ZINC000449156490 1124952880 /nfs/dbraw/zinc/95/28/80/1124952880.db2.gz DNRNLEZLBIAFBW-UHFFFAOYSA-N 1 3 339.414 3.736 20 0 EHADHO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ccncc1F ZINC000449156490 1124952884 /nfs/dbraw/zinc/95/28/84/1124952884.db2.gz DNRNLEZLBIAFBW-UHFFFAOYSA-N 1 3 339.414 3.736 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)ccc1OC ZINC000182958593 1125407802 /nfs/dbraw/zinc/40/78/02/1125407802.db2.gz GZTKZIOOKDPBDY-UZLBHIALSA-N 1 3 336.520 3.595 20 0 EHADHO CC[NH+](CC)CCCC1CCN([C@H](C)c2cnc(C)nc2C)CC1 ZINC000682076312 1129206736 /nfs/dbraw/zinc/20/67/36/1129206736.db2.gz LFFWYBTXUKAKFC-QGZVFWFLSA-N 1 3 332.536 3.988 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2c(Cl)nc3ccccn32)CC1 ZINC000922509065 1129557455 /nfs/dbraw/zinc/55/74/55/1129557455.db2.gz IMHODHYITQDNMN-UHFFFAOYSA-N 1 3 346.906 3.874 20 0 EHADHO Cc1c(Br)cccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922684376 1129625284 /nfs/dbraw/zinc/62/52/84/1129625284.db2.gz IODQSNWWLHTNEJ-CVEARBPZSA-N 1 3 337.305 3.516 20 0 EHADHO Cc1c(Br)cccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922684376 1129625287 /nfs/dbraw/zinc/62/52/87/1129625287.db2.gz IODQSNWWLHTNEJ-CVEARBPZSA-N 1 3 337.305 3.516 20 0 EHADHO Brc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166616220 1130595773 /nfs/dbraw/zinc/59/57/73/1130595773.db2.gz HKZGGMDSKRYICE-DLBZAZTESA-N 1 3 349.316 3.697 20 0 EHADHO Brc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166616220 1130595781 /nfs/dbraw/zinc/59/57/81/1130595781.db2.gz HKZGGMDSKRYICE-DLBZAZTESA-N 1 3 349.316 3.697 20 0 EHADHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000766188054 1130649916 /nfs/dbraw/zinc/64/99/16/1130649916.db2.gz PXKIMFAGOQMQLQ-XUVXKRRUSA-N 1 3 334.548 3.824 20 0 EHADHO CC[N@H+](C)C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211556 /nfs/dbraw/zinc/21/15/56/1131211556.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 1 3 328.422 3.912 20 0 EHADHO CC[N@@H+](C)C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211561 /nfs/dbraw/zinc/21/15/61/1131211561.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 1 3 328.422 3.912 20 0 EHADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211565 /nfs/dbraw/zinc/21/15/65/1131211565.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 1 3 328.422 3.912 20 0 EHADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832679 1131211568 /nfs/dbraw/zinc/21/15/68/1131211568.db2.gz ZRMYLZLHCJLTBO-INIZCTEOSA-N 1 3 328.422 3.912 20 0 EHADHO CC(C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001172436999 1131741110 /nfs/dbraw/zinc/74/11/10/1131741110.db2.gz LJUZBSZMVQQCIR-MRXNPFEDSA-N 1 3 338.923 3.879 20 0 EHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172939377 1131913332 /nfs/dbraw/zinc/91/33/32/1131913332.db2.gz OYBVYGIEDSHQCI-RTWAWAEBSA-N 1 3 330.516 3.931 20 0 EHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172939377 1131913336 /nfs/dbraw/zinc/91/33/36/1131913336.db2.gz OYBVYGIEDSHQCI-RTWAWAEBSA-N 1 3 330.516 3.931 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101103 1132656452 /nfs/dbraw/zinc/65/64/52/1132656452.db2.gz OKYDBJLRPUMBAQ-YRPNKDGESA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101103 1132656454 /nfs/dbraw/zinc/65/64/54/1132656454.db2.gz OKYDBJLRPUMBAQ-YRPNKDGESA-N 1 3 332.463 3.508 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141396 1132673645 /nfs/dbraw/zinc/67/36/45/1132673645.db2.gz QHPHUKNPZPXMNB-NMLBUPMWSA-N 1 3 348.918 3.946 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141396 1132673651 /nfs/dbraw/zinc/67/36/51/1132673651.db2.gz QHPHUKNPZPXMNB-NMLBUPMWSA-N 1 3 348.918 3.946 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162979 1132684452 /nfs/dbraw/zinc/68/44/52/1132684452.db2.gz WAZHXMHJGZIBDA-KYFSNAEOSA-N 1 3 328.475 3.731 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162979 1132684458 /nfs/dbraw/zinc/68/44/58/1132684458.db2.gz WAZHXMHJGZIBDA-KYFSNAEOSA-N 1 3 328.475 3.731 20 0 EHADHO CCN(Cc1cccc(Br)c1)C1CC[NH+](CC)CC1 ZINC001169266394 1132706361 /nfs/dbraw/zinc/70/63/61/1132706361.db2.gz WHMOAQAXXSOYAJ-UHFFFAOYSA-N 1 3 325.294 3.755 20 0 EHADHO CC[NH+]1CCC(N[C@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001169241143 1132708069 /nfs/dbraw/zinc/70/80/69/1132708069.db2.gz IGHCOOAEIOERFA-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO CCN1CCN(c2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC001175780854 1132764360 /nfs/dbraw/zinc/76/43/60/1132764360.db2.gz NNTQHPNFJKBBLH-UHFFFAOYSA-N 1 3 338.499 3.634 20 0 EHADHO FC(F)(F)c1ccc2nccc(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001169796654 1132861637 /nfs/dbraw/zinc/86/16/37/1132861637.db2.gz RRHOWQSEAAJUBO-UHFFFAOYSA-N 1 3 335.373 3.573 20 0 EHADHO CN(C)CC[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)C(C)(C)C ZINC001177823734 1133101140 /nfs/dbraw/zinc/10/11/40/1133101140.db2.gz YKFSSCRJRPAGLX-OAHLLOKOSA-N 1 3 332.410 3.867 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@@](C)(C[NH3+])CC2)cc1F ZINC001206319137 1133139475 /nfs/dbraw/zinc/13/94/75/1133139475.db2.gz XZSHHJMRINRNAD-MRXNPFEDSA-N 1 3 343.284 3.848 20 0 EHADHO Fc1cccc(CNCCCCC[NH+]2CCCC2)c1Br ZINC001178811525 1133201204 /nfs/dbraw/zinc/20/12/04/1133201204.db2.gz UYZNMNMBARTWFD-UHFFFAOYSA-N 1 3 343.284 3.944 20 0 EHADHO c1cnn(-c2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000070738952 1133370262 /nfs/dbraw/zinc/37/02/62/1133370262.db2.gz SFQICVOKCGCADM-UHFFFAOYSA-N 1 3 346.478 3.627 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ncccc1C(F)(F)F ZINC000152155306 1133603047 /nfs/dbraw/zinc/60/30/47/1133603047.db2.gz XNGXRVBMHXPFPN-AWEZNQCLSA-N 1 3 329.410 3.845 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ncccc1C(F)(F)F ZINC000152155306 1133603048 /nfs/dbraw/zinc/60/30/48/1133603048.db2.gz XNGXRVBMHXPFPN-AWEZNQCLSA-N 1 3 329.410 3.845 20 0 EHADHO Cc1cc(F)ccc1[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000746659776 1133966928 /nfs/dbraw/zinc/96/69/28/1133966928.db2.gz YZUFTOXPZWUWLX-OAQYLSRUSA-N 1 3 348.506 3.756 20 0 EHADHO C[C@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134909 1134410620 /nfs/dbraw/zinc/41/06/20/1134410620.db2.gz DUSQKDHKQYTTAA-ZHNGQKSSSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134909 1134410623 /nfs/dbraw/zinc/41/06/23/1134410623.db2.gz DUSQKDHKQYTTAA-ZHNGQKSSSA-N 1 3 346.559 3.636 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCO2)ccc1OC ZINC000775365686 1134670040 /nfs/dbraw/zinc/67/00/40/1134670040.db2.gz YITADTYDOXTMCZ-QFBILLFUSA-N 1 3 334.504 3.757 20 0 EHADHO CC1CCN(C[C@H]2CCC[N@H+](C[Si](C)(C)c3ccccc3)C2)CC1 ZINC001190650418 1134731998 /nfs/dbraw/zinc/73/19/98/1134731998.db2.gz CSVRGLUMELLFFR-HXUWFJFHSA-N 1 3 344.619 3.585 20 0 EHADHO CC1CCN(C[C@H]2CCC[N@@H+](C[Si](C)(C)c3ccccc3)C2)CC1 ZINC001190650418 1134732003 /nfs/dbraw/zinc/73/20/03/1134732003.db2.gz CSVRGLUMELLFFR-HXUWFJFHSA-N 1 3 344.619 3.585 20 0 EHADHO Cc1ccc(Br)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205636844 1135151080 /nfs/dbraw/zinc/15/10/80/1135151080.db2.gz FNAGBLWOSDSQBL-DGCLKSJQSA-N 1 3 343.284 3.703 20 0 EHADHO Cc1cc(F)cc(Br)c1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651879 1135225305 /nfs/dbraw/zinc/22/53/05/1135225305.db2.gz KZPXCRFCFUCZTE-WCQYABFASA-N 1 3 343.284 3.703 20 0 EHADHO C[C@H]1CN(CCc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368874 1135686168 /nfs/dbraw/zinc/68/61/68/1135686168.db2.gz OENFGDFIQLVSMK-SFHVURJKSA-N 1 3 331.463 3.988 20 0 EHADHO C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CCN1c1ccncc1 ZINC001197368874 1135686171 /nfs/dbraw/zinc/68/61/71/1135686171.db2.gz OENFGDFIQLVSMK-SFHVURJKSA-N 1 3 331.463 3.988 20 0 EHADHO C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CCN1c1ccncc1 ZINC001197368874 1135686174 /nfs/dbraw/zinc/68/61/74/1135686174.db2.gz OENFGDFIQLVSMK-SFHVURJKSA-N 1 3 331.463 3.988 20 0 EHADHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000810258577 1135944084 /nfs/dbraw/zinc/94/40/84/1135944084.db2.gz QYVIGNSIVQKREH-LPHOPBHVSA-N 1 3 334.504 3.757 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC(C)(C)C2)CCN1Cc1ccccc1 ZINC001202176388 1136105581 /nfs/dbraw/zinc/10/55/81/1136105581.db2.gz PYRFQSVLTTYEFT-FPOVZHCZSA-N 1 3 343.559 3.751 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000815615348 1136618926 /nfs/dbraw/zinc/61/89/26/1136618926.db2.gz NYSXJRPDZOIURF-OXJNMPFZSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000815615348 1136618928 /nfs/dbraw/zinc/61/89/28/1136618928.db2.gz NYSXJRPDZOIURF-OXJNMPFZSA-N 1 3 342.458 3.552 20 0 EHADHO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCN([C@@H]2CCCOCC2)CC1 ZINC001170797670 1136629515 /nfs/dbraw/zinc/62/95/15/1136629515.db2.gz WZNKVHBUZBWNBD-MRXNPFEDSA-N 1 3 342.405 3.524 20 0 EHADHO CC/C=C\CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604828 1136798188 /nfs/dbraw/zinc/79/81/88/1136798188.db2.gz RWLXHAMWUPUEIN-HCZHMGAMSA-N 1 3 331.504 3.731 20 0 EHADHO CC/C=C\CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604828 1136798190 /nfs/dbraw/zinc/79/81/90/1136798190.db2.gz RWLXHAMWUPUEIN-HCZHMGAMSA-N 1 3 331.504 3.731 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000817905156 1136845237 /nfs/dbraw/zinc/84/52/37/1136845237.db2.gz JXJIUWLDOJNUMH-CIAFKFPVSA-N 1 3 338.495 3.774 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858352333 1136960619 /nfs/dbraw/zinc/96/06/19/1136960619.db2.gz YZTLXEXPHGFBRV-INIZCTEOSA-N 1 3 325.456 3.560 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858352333 1136960620 /nfs/dbraw/zinc/96/06/20/1136960620.db2.gz YZTLXEXPHGFBRV-INIZCTEOSA-N 1 3 325.456 3.560 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000794828467 1137267855 /nfs/dbraw/zinc/26/78/55/1137267855.db2.gz PLUDAWXXUBVTMB-DOTOQJQBSA-N 1 3 329.875 3.908 20 0 EHADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171162302 1137274309 /nfs/dbraw/zinc/27/43/09/1137274309.db2.gz PFYZAVPWIDPVGS-KBMXLJTQSA-N 1 3 339.310 3.734 20 0 EHADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171162302 1137274310 /nfs/dbraw/zinc/27/43/10/1137274310.db2.gz PFYZAVPWIDPVGS-KBMXLJTQSA-N 1 3 339.310 3.734 20 0 EHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cnccc3/C=C/N(C)C)c2c1 ZINC001171168503 1137278900 /nfs/dbraw/zinc/27/89/00/1137278900.db2.gz SSTGYSXXYQKYGZ-XAVKZTDYSA-N 1 3 334.467 3.756 20 0 EHADHO [NH3+]CCc1cc2ccccc2n1-c1ccc(F)c(CN2CCCC2)c1 ZINC001171304391 1137406914 /nfs/dbraw/zinc/40/69/14/1137406914.db2.gz RLMAEWPZVWYHKF-UHFFFAOYSA-N 1 3 337.442 3.867 20 0 EHADHO COc1cc2nccc(-n3c(CC[NH3+])cc4ccccc43)c2cc1OC ZINC001171305712 1137407037 /nfs/dbraw/zinc/40/70/37/1137407037.db2.gz WOJKGUGFNMOCON-UHFFFAOYSA-N 1 3 347.418 3.697 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000773046509 1137461640 /nfs/dbraw/zinc/46/16/40/1137461640.db2.gz STUUAHSQKBBSLG-PXAZEXFGSA-N 1 3 342.886 3.754 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171412033 1137476100 /nfs/dbraw/zinc/47/61/00/1137476100.db2.gz REWVPMRPIGILMO-VQIMIIECSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171412033 1137476102 /nfs/dbraw/zinc/47/61/02/1137476102.db2.gz REWVPMRPIGILMO-VQIMIIECSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H]1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000716619615 1137488078 /nfs/dbraw/zinc/48/80/78/1137488078.db2.gz GDXPABBADIDLFZ-WDMKGZBDSA-N 1 3 328.500 3.585 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(Cc3ccncc3)CC2)CC1(C)C ZINC001171641422 1137504697 /nfs/dbraw/zinc/50/46/97/1137504697.db2.gz GXFHTOHMTALFEY-UHFFFAOYSA-N 1 3 329.532 3.988 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CCN1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638173 1137504888 /nfs/dbraw/zinc/50/48/88/1137504888.db2.gz VGMNHCDRYLPBDD-SFHVURJKSA-N 1 3 343.559 3.844 20 0 EHADHO CN1CCCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171967828 1137520856 /nfs/dbraw/zinc/52/08/56/1137520856.db2.gz NNOVJHINXDMKFI-PMACEKPBSA-N 1 3 329.532 3.504 20 0 EHADHO CC1(C)C[C@@H](N2CCN3CCCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979242 1137525968 /nfs/dbraw/zinc/52/59/68/1137525968.db2.gz ABSGEICKDZTJNM-LEWJYISDSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@@H](N2CCN3CCCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979242 1137525970 /nfs/dbraw/zinc/52/59/70/1137525970.db2.gz ABSGEICKDZTJNM-LEWJYISDSA-N 1 3 341.543 3.600 20 0 EHADHO CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086819 1137532204 /nfs/dbraw/zinc/53/22/04/1137532204.db2.gz JDEVFQOCLBLQSW-PSWRPDDJSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086819 1137532206 /nfs/dbraw/zinc/53/22/06/1137532206.db2.gz JDEVFQOCLBLQSW-PSWRPDDJSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062705 1137533221 /nfs/dbraw/zinc/53/32/21/1137533221.db2.gz QUULFEXRMZYQMW-PSWRPDDJSA-N 1 3 341.543 3.646 20 0 EHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001172326828 1137547580 /nfs/dbraw/zinc/54/75/80/1137547580.db2.gz BHWMKBZTNWFTHH-MSOLQXFVSA-N 1 3 348.531 3.625 20 0 EHADHO CCOCC[C@@H](C)[NH+]1CCC2(CCCN2Cc2c(C)noc2C)CC1 ZINC001172421343 1137556498 /nfs/dbraw/zinc/55/64/98/1137556498.db2.gz SFWLLAASBZCSJX-MRXNPFEDSA-N 1 3 349.519 3.537 20 0 EHADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131472 1137573353 /nfs/dbraw/zinc/57/33/53/1137573353.db2.gz VCCQSXBVYYOUQU-LBPRGKRZSA-N 1 3 327.394 3.625 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000873289487 1137596669 /nfs/dbraw/zinc/59/66/69/1137596669.db2.gz IMKDCJYGVJFGDX-GXTWGEPZSA-N 1 3 343.298 3.803 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054340 1137668794 /nfs/dbraw/zinc/66/87/94/1137668794.db2.gz HHUPQHLDGQBLMR-YRGRVCCFSA-N 1 3 333.328 3.914 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@H]2CC2(Cl)Cl)[C@@H]1c1cccs1 ZINC000877054340 1137668795 /nfs/dbraw/zinc/66/87/95/1137668795.db2.gz HHUPQHLDGQBLMR-YRGRVCCFSA-N 1 3 333.328 3.914 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000877524917 1137679598 /nfs/dbraw/zinc/67/95/98/1137679598.db2.gz KOEMVOGVSVKEBA-ZWKOTPCHSA-N 1 3 325.500 3.876 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000878608315 1137722023 /nfs/dbraw/zinc/72/20/23/1137722023.db2.gz OJDJMAASNJNSFN-CKQIIDDLSA-N 1 3 343.298 3.584 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000878608315 1137722024 /nfs/dbraw/zinc/72/20/24/1137722024.db2.gz OJDJMAASNJNSFN-CKQIIDDLSA-N 1 3 343.298 3.584 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(Cl)nc3Cl)CC2)CC1 ZINC000879250606 1137742535 /nfs/dbraw/zinc/74/25/35/1137742535.db2.gz WWZJCVRWHIJBBW-UHFFFAOYSA-N 1 3 328.287 3.696 20 0 EHADHO CCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883167249 1137846949 /nfs/dbraw/zinc/84/69/49/1137846949.db2.gz UASUCIIIZGGJEY-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2sccc2Br)CC1 ZINC000883288954 1137852897 /nfs/dbraw/zinc/85/28/97/1137852897.db2.gz YRCBBHTZWNGRPO-UHFFFAOYSA-N 1 3 345.350 3.906 20 0 EHADHO CC(C)(C)[NH+]1CCC(NCCc2sccc2Br)CC1 ZINC000883288954 1137852898 /nfs/dbraw/zinc/85/28/98/1137852898.db2.gz YRCBBHTZWNGRPO-UHFFFAOYSA-N 1 3 345.350 3.906 20 0 EHADHO CC1(C)C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886623289 1138103410 /nfs/dbraw/zinc/10/34/10/1138103410.db2.gz AEQRRNXPBMUYKK-MHTWAQMVSA-N 1 3 342.527 3.834 20 0 EHADHO Cc1sc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000090399923 1138210363 /nfs/dbraw/zinc/21/03/63/1138210363.db2.gz WLTGSNDAKLHUAD-QZTJIDSGSA-N 1 3 341.524 3.877 20 0 EHADHO Cc1sc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000090399923 1138210366 /nfs/dbraw/zinc/21/03/66/1138210366.db2.gz WLTGSNDAKLHUAD-QZTJIDSGSA-N 1 3 341.524 3.877 20 0 EHADHO Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000092645368 1138230390 /nfs/dbraw/zinc/23/03/90/1138230390.db2.gz BSLHFXIYXIFLIN-UHFFFAOYSA-N 1 3 341.474 3.668 20 0 EHADHO COCc1ccccc1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122045067 1138253810 /nfs/dbraw/zinc/25/38/10/1138253810.db2.gz ZDFUEDYIGRIYTL-QGZVFWFLSA-N 1 3 342.483 3.624 20 0 EHADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(OC)cc1 ZINC000122328196 1138257073 /nfs/dbraw/zinc/25/70/73/1138257073.db2.gz FHCNCRAJXODIQI-HXUWFJFHSA-N 1 3 342.483 3.877 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2n1 ZINC000178040688 1139664997 /nfs/dbraw/zinc/66/49/97/1139664997.db2.gz AOZZMJLYHSUHKC-KURKYZTESA-N 1 3 341.499 3.775 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000182226601 1139959410 /nfs/dbraw/zinc/95/94/10/1139959410.db2.gz HUDSQKFMLDGCJW-IIBYNOLFSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000182226601 1139959413 /nfs/dbraw/zinc/95/94/13/1139959413.db2.gz HUDSQKFMLDGCJW-IIBYNOLFSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182228349 1139959610 /nfs/dbraw/zinc/95/96/10/1139959610.db2.gz OLPDQBYWUNLKKQ-MAUKXSAKSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182228349 1139959612 /nfs/dbraw/zinc/95/96/12/1139959612.db2.gz OLPDQBYWUNLKKQ-MAUKXSAKSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H](CCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000193819016 1140588053 /nfs/dbraw/zinc/58/80/53/1140588053.db2.gz CMFQMOSQCAUHPE-HKBOAZHASA-N 1 3 343.559 3.671 20 0 EHADHO CCOc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000268794565 1140993917 /nfs/dbraw/zinc/99/39/17/1140993917.db2.gz HIFNGGPCXZEQST-QGZVFWFLSA-N 1 3 342.483 3.877 20 0 EHADHO Cc1cc([C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C2CC2)ccc1F ZINC000283205836 1141572718 /nfs/dbraw/zinc/57/27/18/1141572718.db2.gz GRVUXGCXIVUOJQ-NRFANRHFSA-N 1 3 347.522 3.591 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000020189929 212109401 /nfs/dbraw/zinc/10/94/01/212109401.db2.gz NXRRDICQJITDIL-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2cnccc2c1 ZINC000904474082 1032069793 /nfs/dbraw/zinc/06/97/93/1032069793.db2.gz SYSILSSSRMKJIE-UNMCSNQZSA-N 1 3 345.446 3.580 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCCC1)c1cccc(Br)c1 ZINC000037229514 1015702659 /nfs/dbraw/zinc/70/26/59/1015702659.db2.gz KTUSKICMWRKNRJ-INIZCTEOSA-N 1 3 325.294 3.976 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000538098482 1032139779 /nfs/dbraw/zinc/13/97/79/1032139779.db2.gz HERWJIGPOHYXSX-RHSMWYFYSA-N 1 3 345.314 3.737 20 0 EHADHO CCC[NH+]1CCC(N(C)CCCc2nc(-c3cccs3)no2)CC1 ZINC000109786716 1016375619 /nfs/dbraw/zinc/37/56/19/1016375619.db2.gz NUMICWAQYHSAFF-UHFFFAOYSA-N 1 3 348.516 3.537 20 0 EHADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(C(=O)OC)cc1 ZINC000340173730 1016581831 /nfs/dbraw/zinc/58/18/31/1016581831.db2.gz NJCBDXYBMAKUOR-LJQANCHMSA-N 1 3 332.488 3.634 20 0 EHADHO CC[N@@H+](Cc1ccc2[nH]cnc2c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536708980 1032186655 /nfs/dbraw/zinc/18/66/55/1032186655.db2.gz GDAPNRQXFHKVRP-FQEVSTJZSA-N 1 3 348.494 3.907 20 0 EHADHO CC[N@H+](Cc1ccc2[nH]cnc2c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536708980 1032186661 /nfs/dbraw/zinc/18/66/61/1032186661.db2.gz GDAPNRQXFHKVRP-FQEVSTJZSA-N 1 3 348.494 3.907 20 0 EHADHO CC[N@@H+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536708980 1032186665 /nfs/dbraw/zinc/18/66/65/1032186665.db2.gz GDAPNRQXFHKVRP-FQEVSTJZSA-N 1 3 348.494 3.907 20 0 EHADHO CC[N@H+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536708980 1032186672 /nfs/dbraw/zinc/18/66/72/1032186672.db2.gz GDAPNRQXFHKVRP-FQEVSTJZSA-N 1 3 348.494 3.907 20 0 EHADHO Cc1cccc(C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000536860063 1032359466 /nfs/dbraw/zinc/35/94/66/1032359466.db2.gz YOTZSRRMPRUFEA-JQVVWYNYSA-N 1 3 344.543 3.795 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449239926 1032377551 /nfs/dbraw/zinc/37/75/51/1032377551.db2.gz LWVOVPSNIADTFM-CSEOROSGSA-N 1 3 342.527 3.834 20 0 EHADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905248876 1032391829 /nfs/dbraw/zinc/39/18/29/1032391829.db2.gz QLJPWFSGBKWGMM-KVULBXGLSA-N 1 3 343.298 3.633 20 0 EHADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423038826 1032493596 /nfs/dbraw/zinc/49/35/96/1032493596.db2.gz PFYKOCAIYDFWQV-TVZGQMOCSA-N 1 3 347.890 3.929 20 0 EHADHO Cc1ccc(OCc2nc(CNC[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000415013255 1017394388 /nfs/dbraw/zinc/39/43/88/1017394388.db2.gz YIZNSGVYAWXEPH-CVEARBPZSA-N 1 3 345.512 3.638 20 0 EHADHO Clc1ccc(Br)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415015326 1017396173 /nfs/dbraw/zinc/39/61/73/1017396173.db2.gz YHCGJLVWWZRFAZ-DZGCQCFKSA-N 1 3 343.696 3.580 20 0 EHADHO CO[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078207 1017510059 /nfs/dbraw/zinc/51/00/59/1017510059.db2.gz FZLREPOPZISFSP-XUVXKRRUSA-N 1 3 328.431 3.596 20 0 EHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415080448 1017518782 /nfs/dbraw/zinc/51/87/82/1017518782.db2.gz JJNBEAWBVWSWOU-MBNYWOFBSA-N 1 3 343.284 3.639 20 0 EHADHO Brc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000415080022 1017520748 /nfs/dbraw/zinc/52/07/48/1017520748.db2.gz JABXQXMLYLDTRR-DYVFJYSZSA-N 1 3 337.305 3.880 20 0 EHADHO C[C@@H](CNC[C@@]1(C)CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415089150 1017536705 /nfs/dbraw/zinc/53/67/05/1017536705.db2.gz MYGYCIQIRLZJIZ-WFASDCNBSA-N 1 3 343.334 3.519 20 0 EHADHO CCCOc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655760564 1017545738 /nfs/dbraw/zinc/54/57/38/1017545738.db2.gz UBMPFAJAAVYADK-NRFANRHFSA-N 1 3 346.515 3.517 20 0 EHADHO C[C@@H](O)c1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178547898 1018582307 /nfs/dbraw/zinc/58/23/07/1018582307.db2.gz RVJULXUZKDHKNR-IAGOWNOFSA-N 1 3 342.483 3.531 20 0 EHADHO Cc1cc(Br)cc(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204734692 1019314750 /nfs/dbraw/zinc/31/47/50/1019314750.db2.gz BNGMTTLBGGRMCU-UHFFFAOYSA-N 1 3 337.305 3.723 20 0 EHADHO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224744 1019440486 /nfs/dbraw/zinc/44/04/86/1019440486.db2.gz VQDJKHNRSPDQOZ-FUHIMQAGSA-N 1 3 330.516 3.956 20 0 EHADHO C[C@@H](Cc1cccc(O)c1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224744 1019440495 /nfs/dbraw/zinc/44/04/95/1019440495.db2.gz VQDJKHNRSPDQOZ-FUHIMQAGSA-N 1 3 330.516 3.956 20 0 EHADHO CC1(CN2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475875 1020473420 /nfs/dbraw/zinc/47/34/20/1020473420.db2.gz BSUCMQXLTKONQO-OAQYLSRUSA-N 1 3 334.548 3.924 20 0 EHADHO CC1(CN2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)CCOCC1 ZINC001279475875 1020473429 /nfs/dbraw/zinc/47/34/29/1020473429.db2.gz BSUCMQXLTKONQO-OAQYLSRUSA-N 1 3 334.548 3.924 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1F ZINC000656683239 1021160124 /nfs/dbraw/zinc/16/01/24/1021160124.db2.gz KNCCBTOOPBALTE-INIZCTEOSA-N 1 3 327.447 3.784 20 0 EHADHO Cc1ccccc1C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000518686336 1021422955 /nfs/dbraw/zinc/42/29/55/1021422955.db2.gz WDDYLWCQRWUIQS-IPJJNNNSSA-N 1 3 344.543 3.795 20 0 EHADHO CC1CC[NH+](Cc2cccc(CN[C@H]3COC4(CCC4)C3)c2)CC1 ZINC000657870469 1033004521 /nfs/dbraw/zinc/00/45/21/1033004521.db2.gz DOLRNBAUBMOKMJ-HXUWFJFHSA-N 1 3 328.500 3.720 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000449679332 1033028232 /nfs/dbraw/zinc/02/82/32/1033028232.db2.gz DKDMETJOSSTLKI-MBDNFAEBSA-N 1 3 342.527 3.693 20 0 EHADHO CCCc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2ccccc2n1 ZINC000664655469 1022106523 /nfs/dbraw/zinc/10/65/23/1022106523.db2.gz ALXVMZMSLVJZIG-SFHVURJKSA-N 1 3 341.499 3.734 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]CCCN ZINC000437790893 1022143607 /nfs/dbraw/zinc/14/36/07/1022143607.db2.gz ZIKAQUBYTJAACW-TXVWBRJLSA-N 1 3 328.500 3.555 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000262080896 1022308376 /nfs/dbraw/zinc/30/83/76/1022308376.db2.gz TUCMNWXVEMUYGZ-UHFFFAOYSA-N 1 3 327.497 3.694 20 0 EHADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(F)cc(Br)c1 ZINC000425941677 1022325671 /nfs/dbraw/zinc/32/56/71/1022325671.db2.gz KBCWQEFXVANGAT-XHDPSFHLSA-N 1 3 331.273 3.827 20 0 EHADHO Cc1nc(C)c(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000471832923 1022474734 /nfs/dbraw/zinc/47/47/34/1022474734.db2.gz PLQLEQSSZDESPM-RTBURBONSA-N 1 3 343.540 3.932 20 0 EHADHO CN(CCCOc1cccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358153 1033103402 /nfs/dbraw/zinc/10/34/02/1033103402.db2.gz HZLKMHXCSFAIKY-GOSISDBHSA-N 1 3 326.484 3.882 20 0 EHADHO CN(CCCOc1cccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358153 1033103407 /nfs/dbraw/zinc/10/34/07/1033103407.db2.gz HZLKMHXCSFAIKY-GOSISDBHSA-N 1 3 326.484 3.882 20 0 EHADHO Cc1cccc([C@@H](C)[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000441475519 1023088860 /nfs/dbraw/zinc/08/88/60/1023088860.db2.gz QCQZTJWVXIYFMD-CEXWTWQISA-N 1 3 330.516 3.877 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440126 1123827333 /nfs/dbraw/zinc/82/73/33/1123827333.db2.gz UFMVMDVFBBBLAV-WCQYABFASA-N 1 3 331.323 3.673 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)s2)[C@@H](C)C1 ZINC000245440126 1123827337 /nfs/dbraw/zinc/82/73/37/1123827337.db2.gz UFMVMDVFBBBLAV-WCQYABFASA-N 1 3 331.323 3.673 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000514086970 1024120248 /nfs/dbraw/zinc/12/02/48/1024120248.db2.gz DXBYNNAGJWLTKX-HRCADAONSA-N 1 3 328.378 3.548 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000514086970 1024120254 /nfs/dbraw/zinc/12/02/54/1024120254.db2.gz DXBYNNAGJWLTKX-HRCADAONSA-N 1 3 328.378 3.548 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000514086970 1024120264 /nfs/dbraw/zinc/12/02/64/1024120264.db2.gz DXBYNNAGJWLTKX-HRCADAONSA-N 1 3 328.378 3.548 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4cccnc4)[C@H]3C2)cc1 ZINC000428227635 1025048684 /nfs/dbraw/zinc/04/86/84/1025048684.db2.gz SOFGSVYFPBDTMQ-VABKMULXSA-N 1 3 349.522 3.905 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)C2 ZINC001168284887 1033268335 /nfs/dbraw/zinc/26/83/35/1033268335.db2.gz WZSWNIKSHXEPGB-XUVXKRRUSA-N 1 3 328.500 3.501 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)C2 ZINC001168284887 1033268345 /nfs/dbraw/zinc/26/83/45/1033268345.db2.gz WZSWNIKSHXEPGB-XUVXKRRUSA-N 1 3 328.500 3.501 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(-c3scnc3C)cc2)C1 ZINC000657337149 1025272465 /nfs/dbraw/zinc/27/24/65/1025272465.db2.gz KNFFLLFCGDRJRK-QGZVFWFLSA-N 1 3 329.513 3.940 20 0 EHADHO CC(C)=CCC[C@H](C)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000192623562 1025284951 /nfs/dbraw/zinc/28/49/51/1025284951.db2.gz VRSKUDALRMFIBQ-LEWJYISDSA-N 1 3 335.580 3.861 20 0 EHADHO CC(C)=CCC[C@H](C)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000192623562 1025284963 /nfs/dbraw/zinc/28/49/63/1025284963.db2.gz VRSKUDALRMFIBQ-LEWJYISDSA-N 1 3 335.580 3.861 20 0 EHADHO COc1cccc(C2(N[C@H](C)c3ccc(C[NH3+])nc3C)CCC2)c1 ZINC000665282947 1025308713 /nfs/dbraw/zinc/30/87/13/1025308713.db2.gz FDXOZTABCHPBHL-OAHLLOKOSA-N 1 3 325.456 3.587 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2ccnc(Cl)c2F)CC1 ZINC000896390454 1025399320 /nfs/dbraw/zinc/39/93/20/1025399320.db2.gz BPRXXNLBCMLCDR-UHFFFAOYSA-N 1 3 325.859 3.761 20 0 EHADHO c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000442785345 1025477640 /nfs/dbraw/zinc/47/76/40/1025477640.db2.gz VOJJUCGJJQRMNC-SFHVURJKSA-N 1 3 337.511 3.879 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(C)(C)C)cc1 ZINC000442873365 1025548023 /nfs/dbraw/zinc/54/80/23/1025548023.db2.gz KWZGQIOBWMGEPO-KRWDZBQOSA-N 1 3 331.548 3.661 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000451294520 1025778113 /nfs/dbraw/zinc/77/81/13/1025778113.db2.gz HSVCANZKWQDUSG-IRXDYDNUSA-N 1 3 349.485 3.503 20 0 EHADHO CCN(CCn1cccn1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059791 1026401983 /nfs/dbraw/zinc/40/19/83/1026401983.db2.gz HFNUIMFKWLORHL-OALUTQOASA-N 1 3 340.515 3.647 20 0 EHADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272765286 1027101112 /nfs/dbraw/zinc/10/11/12/1027101112.db2.gz LYONJRCRZLDMRY-GUXCAODWSA-N 1 3 341.499 3.895 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1OCCC(C)C ZINC000531683000 1027208905 /nfs/dbraw/zinc/20/89/05/1027208905.db2.gz XYMIBBYHSJOCJG-ZIFCJYIRSA-N 1 3 348.531 3.938 20 0 EHADHO CC1([NH3+])CCN(CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000647925388 1027264659 /nfs/dbraw/zinc/26/46/59/1027264659.db2.gz HBKGDDMIWTVVTB-UHFFFAOYSA-N 1 3 330.394 3.678 20 0 EHADHO CCN(Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000420301264 1027450689 /nfs/dbraw/zinc/45/06/89/1027450689.db2.gz ALBACMUJQHNSEZ-OAHLLOKOSA-N 1 3 325.294 3.722 20 0 EHADHO NC1(C[NH2+]Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCC1 ZINC000420298902 1027451160 /nfs/dbraw/zinc/45/11/60/1027451160.db2.gz ADQDMDQBIBWJSF-UHFFFAOYSA-N 1 3 346.887 3.687 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000420324990 1027478517 /nfs/dbraw/zinc/47/85/17/1027478517.db2.gz VWWCGQOWTKRGMJ-WIYYLYMNSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000420324990 1027478528 /nfs/dbraw/zinc/47/85/28/1027478528.db2.gz VWWCGQOWTKRGMJ-WIYYLYMNSA-N 1 3 340.467 3.583 20 0 EHADHO CC1(C)C[NH2+]CC[C@H]1NCCOC(c1ccccc1)c1ccccc1 ZINC000420355896 1027487137 /nfs/dbraw/zinc/48/71/37/1027487137.db2.gz FMKGJCQLUKAAOL-HXUWFJFHSA-N 1 3 338.495 3.770 20 0 EHADHO Cn1c2ccccc2nc1[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420410173 1027528074 /nfs/dbraw/zinc/52/80/74/1027528074.db2.gz RDUSYNBDMGVGOW-UWJYYQICSA-N 1 3 348.494 3.642 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595821 1027572499 /nfs/dbraw/zinc/57/24/99/1027572499.db2.gz KMYIRHUVFQZBQW-MGPUTAFESA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595821 1027572512 /nfs/dbraw/zinc/57/25/12/1027572512.db2.gz KMYIRHUVFQZBQW-MGPUTAFESA-N 1 3 344.886 3.757 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000501863791 1027620234 /nfs/dbraw/zinc/62/02/34/1027620234.db2.gz PRRIAHMVJRTKPF-INIZCTEOSA-N 1 3 347.478 3.639 20 0 EHADHO Cc1ccc(F)cc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613189 1027631311 /nfs/dbraw/zinc/63/13/11/1027631311.db2.gz HSBRUFYLAHVJDH-UHFFFAOYSA-N 1 3 327.447 3.531 20 0 EHADHO c1cc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc2[nH]1 ZINC000657612689 1027649168 /nfs/dbraw/zinc/64/91/68/1027649168.db2.gz CNIMHPPVZCXOPG-UHFFFAOYSA-N 1 3 334.467 3.565 20 0 EHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCc4ccc(F)cc4)c3)C[C@H]12 ZINC000414678932 1027839303 /nfs/dbraw/zinc/83/93/03/1027839303.db2.gz YOVOLWUCCADWHG-JRGCBEDISA-N 1 3 340.442 3.574 20 0 EHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCc4ccc(F)cc4)c3)C[C@H]12 ZINC000414678928 1027840316 /nfs/dbraw/zinc/84/03/16/1027840316.db2.gz YOVOLWUCCADWHG-DZFGPLHGSA-N 1 3 340.442 3.574 20 0 EHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCc4ccc(F)cc4)c3)C[C@@H]12 ZINC000414678926 1027841406 /nfs/dbraw/zinc/84/14/06/1027841406.db2.gz YOVOLWUCCADWHG-DUXKGJEZSA-N 1 3 340.442 3.574 20 0 EHADHO Fc1cccc2c1CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422773372 1027929563 /nfs/dbraw/zinc/92/95/63/1027929563.db2.gz YNUJNYCRPMIVKW-QKNQBKEWSA-N 1 3 338.426 3.659 20 0 EHADHO Clc1ccc(OCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422779855 1027935514 /nfs/dbraw/zinc/93/55/14/1027935514.db2.gz JJDDQPFDPNDYOP-PBWFPOADSA-N 1 3 329.271 3.635 20 0 EHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)cs1 ZINC000422809063 1027961020 /nfs/dbraw/zinc/96/10/20/1027961020.db2.gz RFHOIYHKRKHYSP-RPLLJCPNSA-N 1 3 345.512 3.521 20 0 EHADHO COc1cccc([C@@H](N[C@H](C)CCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422834515 1027974298 /nfs/dbraw/zinc/97/42/98/1027974298.db2.gz ZSWKTGLYFGXGPK-JLTOFOAXSA-N 1 3 346.446 3.649 20 0 EHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000422877618 1028010260 /nfs/dbraw/zinc/01/02/60/1028010260.db2.gz IIXMQYHVQOIKOE-XYPWUTKMSA-N 1 3 337.305 3.599 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422900719 1028037604 /nfs/dbraw/zinc/03/76/04/1028037604.db2.gz QXFMAFQIAFHSIE-YJBOKZPZSA-N 1 3 329.419 3.620 20 0 EHADHO Cc1cccc(C)c1OCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422929811 1028059427 /nfs/dbraw/zinc/05/94/27/1028059427.db2.gz ACXYUMMAYXBMCJ-MRXNPFEDSA-N 1 3 327.472 3.585 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000422945876 1028082672 /nfs/dbraw/zinc/08/26/72/1028082672.db2.gz VNQOGGLNOQKOPV-FXAWDEMLSA-N 1 3 348.494 3.562 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422947916 1028086226 /nfs/dbraw/zinc/08/62/26/1028086226.db2.gz QVTMLDPAVKDWMF-DLBZAZTESA-N 1 3 338.904 3.834 20 0 EHADHO Cc1ccc(COc2ccc(C[C@@H](C)N[C@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000422950648 1028089446 /nfs/dbraw/zinc/08/94/46/1028089446.db2.gz YTDXGUQROBNQBQ-QZTJIDSGSA-N 1 3 338.495 3.703 20 0 EHADHO Cc1ccn(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422987887 1028096787 /nfs/dbraw/zinc/09/67/87/1028096787.db2.gz HQOIOIHWXMSFDH-SLFFLAALSA-N 1 3 338.499 3.581 20 0 EHADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000422997360 1028113091 /nfs/dbraw/zinc/11/30/91/1028113091.db2.gz NUNOBXKGXNVSIJ-RYGJVYDSSA-N 1 3 342.508 3.680 20 0 EHADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423009735 1028122590 /nfs/dbraw/zinc/12/25/90/1028122590.db2.gz DOZBBBKZLRYKQH-QGZVKYPTSA-N 1 3 345.506 3.695 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)CC3 ZINC000423040170 1028147275 /nfs/dbraw/zinc/14/72/75/1028147275.db2.gz GTFCJJFSCBKKOV-GDBMZVCRSA-N 1 3 348.494 3.847 20 0 EHADHO Cc1cccc(OCCC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1C ZINC000423086656 1028173814 /nfs/dbraw/zinc/17/38/14/1028173814.db2.gz MKIRDGYRVXIKKZ-INIZCTEOSA-N 1 3 327.472 3.585 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2ncccc2c1 ZINC000423091440 1028176295 /nfs/dbraw/zinc/17/62/95/1028176295.db2.gz ZXUOBZSBOXUFHU-RBBKRZOGSA-N 1 3 345.446 3.580 20 0 EHADHO CC[C@@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)c(OC)c1 ZINC000423097746 1028181992 /nfs/dbraw/zinc/18/19/92/1028181992.db2.gz BHEIJPBTQIIJEB-RDTXWAMCSA-N 1 3 343.471 3.668 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423136467 1028219653 /nfs/dbraw/zinc/21/96/53/1028219653.db2.gz VBZNGZRRYKJISW-XJKSGUPXSA-N 1 3 337.305 3.588 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000423184046 1028232402 /nfs/dbraw/zinc/23/24/02/1028232402.db2.gz HMOFBZKKIGFTBS-CQSZACIVSA-N 1 3 348.288 3.675 20 0 EHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCC(C)(C)[NH3+])nc1 ZINC000423281808 1028321560 /nfs/dbraw/zinc/32/15/60/1028321560.db2.gz BVQXFIYQHYSRSH-LJQANCHMSA-N 1 3 345.918 3.778 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)CC1 ZINC000459374696 1028335588 /nfs/dbraw/zinc/33/55/88/1028335588.db2.gz LTOPHMFPGLWIRF-UHFFFAOYSA-N 1 3 349.522 3.601 20 0 EHADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423423172 1028417228 /nfs/dbraw/zinc/41/72/28/1028417228.db2.gz DPQGWCKFATXKPR-XOKHGSTOSA-N 1 3 327.497 3.849 20 0 EHADHO Cc1cc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2cccnc2)ccc1F ZINC000423480022 1028464533 /nfs/dbraw/zinc/46/45/33/1028464533.db2.gz MQLTUETWWDXDCI-UYAOXDASSA-N 1 3 327.447 3.740 20 0 EHADHO COC(=O)c1csc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423508604 1028471456 /nfs/dbraw/zinc/47/14/56/1028471456.db2.gz KYIUPCKSLFGLHC-CJNGLKHVSA-N 1 3 332.469 3.666 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000247072842 1028739082 /nfs/dbraw/zinc/73/90/82/1028739082.db2.gz QHKGBUOXGVGJPR-JZXOWHBKSA-N 1 3 334.529 3.703 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(OC)cc2)[C@H](C)C1 ZINC000247971828 1028835480 /nfs/dbraw/zinc/83/54/80/1028835480.db2.gz JMWROZLYCJWGFP-UIFIKXQLSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(OC)cc2)[C@H](C)C1 ZINC000247971828 1028835498 /nfs/dbraw/zinc/83/54/98/1028835498.db2.gz JMWROZLYCJWGFP-UIFIKXQLSA-N 1 3 348.531 3.873 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000247980310 1028836325 /nfs/dbraw/zinc/83/63/25/1028836325.db2.gz IHFLPQOGVOLRKY-IKVWTGGYSA-N 1 3 329.532 3.530 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248442218 1028902918 /nfs/dbraw/zinc/90/29/18/1028902918.db2.gz KRHRYEMUEDAYBY-MGPUTAFESA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248442218 1028902933 /nfs/dbraw/zinc/90/29/33/1028902933.db2.gz KRHRYEMUEDAYBY-MGPUTAFESA-N 1 3 344.886 3.757 20 0 EHADHO c1nc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790350 1029084600 /nfs/dbraw/zinc/08/46/00/1029084600.db2.gz ZQAWSFFIPFGRDR-SJORKVTESA-N 1 3 327.497 3.632 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000414794416 1029105521 /nfs/dbraw/zinc/10/55/21/1029105521.db2.gz FQEAYSXVNDHLEJ-AYBZRNKSSA-N 1 3 331.504 3.634 20 0 EHADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000271717444 1029136163 /nfs/dbraw/zinc/13/61/63/1029136163.db2.gz NNAGZQDQIXBKOB-MRXNPFEDSA-N 1 3 345.314 3.737 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728491 1029174502 /nfs/dbraw/zinc/17/45/02/1029174502.db2.gz VRTFRJTXIUVSCG-CVEARBPZSA-N 1 3 333.545 3.686 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000245728491 1029174510 /nfs/dbraw/zinc/17/45/10/1029174510.db2.gz VRTFRJTXIUVSCG-CVEARBPZSA-N 1 3 333.545 3.686 20 0 EHADHO Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414803436 1029193086 /nfs/dbraw/zinc/19/30/86/1029193086.db2.gz CQOZOHZARFLSGF-INIZCTEOSA-N 1 3 348.494 3.858 20 0 EHADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161763839 1029285471 /nfs/dbraw/zinc/28/54/71/1029285471.db2.gz UQRNRNGEEVIUKS-INIZCTEOSA-N 1 3 343.515 3.689 20 0 EHADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc(Cl)c1OC ZINC000414811186 1029302611 /nfs/dbraw/zinc/30/26/11/1029302611.db2.gz PATVZJXVJSGFOK-GFCCVEGCSA-N 1 3 334.847 3.667 20 0 EHADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000272612410 1029534940 /nfs/dbraw/zinc/53/49/40/1029534940.db2.gz WNGJOZNARRPWJX-ZDUSSCGKSA-N 1 3 334.895 3.609 20 0 EHADHO C[NH+](C)CCOc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000092758583 1029731744 /nfs/dbraw/zinc/73/17/44/1029731744.db2.gz QFBMGUSHFUWHFY-UHFFFAOYSA-N 1 3 346.515 3.551 20 0 EHADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000446839052 1029808005 /nfs/dbraw/zinc/80/80/05/1029808005.db2.gz OSLLFDSEJIJHGF-RTWAWAEBSA-N 1 3 332.532 3.938 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c(OCC(C)C)c1 ZINC000650718259 1030144991 /nfs/dbraw/zinc/14/49/91/1030144991.db2.gz FBQOZSWLYJWRNZ-UHFFFAOYSA-N 1 3 342.483 3.739 20 0 EHADHO c1ccc(CN2C[C@H](C[NH2+]C[C@@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771271 1030155018 /nfs/dbraw/zinc/15/50/18/1030155018.db2.gz ADPDSXZOVGEWDD-OALUTQOASA-N 1 3 330.541 3.631 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC(F)F)c(Cl)c1 ZINC000650719303 1030156774 /nfs/dbraw/zinc/15/67/74/1030156774.db2.gz KTPQUKHRXIJRPS-UHFFFAOYSA-N 1 3 340.801 3.951 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000531967157 1030158081 /nfs/dbraw/zinc/15/80/81/1030158081.db2.gz APJISGKMIKTBBG-SVMVAKDDSA-N 1 3 344.543 3.963 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000531967157 1030158096 /nfs/dbraw/zinc/15/80/96/1030158096.db2.gz APJISGKMIKTBBG-SVMVAKDDSA-N 1 3 344.543 3.963 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453374795 1030192380 /nfs/dbraw/zinc/19/23/80/1030192380.db2.gz UDZVPUMTMITQKK-RBUKOAKNSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453374795 1030192393 /nfs/dbraw/zinc/19/23/93/1030192393.db2.gz UDZVPUMTMITQKK-RBUKOAKNSA-N 1 3 334.454 3.846 20 0 EHADHO CCCN1CCC([NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000447518810 1030241378 /nfs/dbraw/zinc/24/13/78/1030241378.db2.gz WYFUUCQFLZDGHD-MRXNPFEDSA-N 1 3 348.487 3.606 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000121707081 1030349174 /nfs/dbraw/zinc/34/91/74/1030349174.db2.gz QPXMGBGQUSGGFZ-FUHIMQAGSA-N 1 3 340.515 3.814 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC001168091866 1030421460 /nfs/dbraw/zinc/42/14/60/1030421460.db2.gz BZFTTWPAOOYEQN-QAPCUYQASA-N 1 3 336.907 3.709 20 0 EHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000121893459 1030435213 /nfs/dbraw/zinc/43/52/13/1030435213.db2.gz NZJXQFQEKNCKOR-KDOFPFPSSA-N 1 3 334.891 3.936 20 0 EHADHO c1ccc(CN2CCN(CCCC[NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000448063175 1030702101 /nfs/dbraw/zinc/70/21/01/1030702101.db2.gz IIENBNSYUCELTO-UHFFFAOYSA-N 1 3 341.543 3.507 20 0 EHADHO c1ccc(C[NH+]2CCCCC2)c(CN[C@H]2COc3ccccc3C2)c1 ZINC000550995537 1030870499 /nfs/dbraw/zinc/87/04/99/1030870499.db2.gz FCMVOCMRMNVPHB-OAQYLSRUSA-N 1 3 336.479 3.766 20 0 EHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732398 1031306713 /nfs/dbraw/zinc/30/67/13/1031306713.db2.gz QQVGYQXMHSGJFW-PVXIVEMSSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+]1C ZINC000483732398 1031306723 /nfs/dbraw/zinc/30/67/23/1031306723.db2.gz QQVGYQXMHSGJFW-PVXIVEMSSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732396 1031307714 /nfs/dbraw/zinc/30/77/14/1031307714.db2.gz QQVGYQXMHSGJFW-FFSVYQOJSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+]1C ZINC000483732396 1031307733 /nfs/dbraw/zinc/30/77/33/1031307733.db2.gz QQVGYQXMHSGJFW-FFSVYQOJSA-N 1 3 328.378 3.645 20 0 EHADHO c1c[nH]c([C@H]2CCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000127422583 1031980320 /nfs/dbraw/zinc/98/03/20/1031980320.db2.gz NJPXHIGROBESGK-OAQYLSRUSA-N 1 3 339.483 3.826 20 0 EHADHO CC(C)C1CCC(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CC1 ZINC000685419963 1033309462 /nfs/dbraw/zinc/30/94/62/1033309462.db2.gz SCLRZAYDXALCIY-UHFFFAOYSA-N 1 3 349.607 3.939 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168414062 1033565069 /nfs/dbraw/zinc/56/50/69/1033565069.db2.gz BYMISBOARUQTLT-KKSFZXQISA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168414062 1033565078 /nfs/dbraw/zinc/56/50/78/1033565078.db2.gz BYMISBOARUQTLT-KKSFZXQISA-N 1 3 326.459 3.780 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C\C[N@@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577908 1033772549 /nfs/dbraw/zinc/77/25/49/1033772549.db2.gz SIIGKPURBZQPGQ-SLXDBMQSSA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C\C[N@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577908 1033772566 /nfs/dbraw/zinc/77/25/66/1033772566.db2.gz SIIGKPURBZQPGQ-SLXDBMQSSA-N 1 3 342.618 3.689 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658140627 1034003987 /nfs/dbraw/zinc/00/39/87/1034003987.db2.gz VOKKLYINXXYCDO-RBUKOAKNSA-N 1 3 330.497 3.556 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658140627 1034004006 /nfs/dbraw/zinc/00/40/06/1034004006.db2.gz VOKKLYINXXYCDO-RBUKOAKNSA-N 1 3 330.497 3.556 20 0 EHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181902 1034409972 /nfs/dbraw/zinc/40/99/72/1034409972.db2.gz JXDMBEGIRDBLNO-NHCUHLMSSA-N 1 3 337.467 3.570 20 0 EHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000340181902 1034409978 /nfs/dbraw/zinc/40/99/78/1034409978.db2.gz JXDMBEGIRDBLNO-NHCUHLMSSA-N 1 3 337.467 3.570 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](CC/C=C\c3ccccc3)CC2)CC1 ZINC000450633632 1034622165 /nfs/dbraw/zinc/62/21/65/1034622165.db2.gz BIVCPSKJZLSSFH-POHAHGRESA-N 1 3 341.543 3.580 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2ccnn2C)c1 ZINC000548976311 1035361980 /nfs/dbraw/zinc/36/19/80/1035361980.db2.gz UPSNRDKNBOFURK-UHFFFAOYSA-N 1 3 340.515 3.748 20 0 EHADHO Cc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000492330309 1035626312 /nfs/dbraw/zinc/62/63/12/1035626312.db2.gz OYCQWBTWQMULAV-TZIWHRDSSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@@H](c1cccc(F)c1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710073 1035979280 /nfs/dbraw/zinc/97/92/80/1035979280.db2.gz HAAUYDCOCRHUME-ZACQAIPSSA-N 1 3 334.479 3.708 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000535085081 1035981390 /nfs/dbraw/zinc/98/13/90/1035981390.db2.gz IKTSWZPUJAADLA-IYBDPMFKSA-N 1 3 336.545 3.632 20 0 EHADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001168169499 1036041455 /nfs/dbraw/zinc/04/14/55/1036041455.db2.gz YOYKHXGVXHBHCP-INIZCTEOSA-N 1 3 343.902 3.702 20 0 EHADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000464060638 1036075604 /nfs/dbraw/zinc/07/56/04/1036075604.db2.gz DMCDGYHKFILDSW-QKNQBKEWSA-N 1 3 334.548 3.826 20 0 EHADHO CCSc1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000535229595 1036185988 /nfs/dbraw/zinc/18/59/88/1036185988.db2.gz KJIOUBWVGKXLCB-INIZCTEOSA-N 1 3 336.545 3.950 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc(CC(F)(F)F)s2)C1 ZINC000892585214 1036332015 /nfs/dbraw/zinc/33/20/15/1036332015.db2.gz RJBFHTGXBVNODE-CYBMUJFWSA-N 1 3 349.466 3.850 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc(CC(F)(F)F)s2)C1 ZINC000892585214 1036332030 /nfs/dbraw/zinc/33/20/30/1036332030.db2.gz RJBFHTGXBVNODE-CYBMUJFWSA-N 1 3 349.466 3.850 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398206158 1036573007 /nfs/dbraw/zinc/57/30/07/1036573007.db2.gz QSIJUIIPHBWPNE-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398206158 1036573016 /nfs/dbraw/zinc/57/30/16/1036573016.db2.gz QSIJUIIPHBWPNE-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@@H](CNc3ccnc4ccccc43)C2)cc1 ZINC000386233272 1036810829 /nfs/dbraw/zinc/81/08/29/1036810829.db2.gz AQXVFNZKDYVSHJ-IBGZPJMESA-N 1 3 331.463 3.981 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@@H](CNc3ccnc4ccccc43)C2)cc1 ZINC000386233272 1036810859 /nfs/dbraw/zinc/81/08/59/1036810859.db2.gz AQXVFNZKDYVSHJ-IBGZPJMESA-N 1 3 331.463 3.981 20 0 EHADHO C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464846451 1036892474 /nfs/dbraw/zinc/89/24/74/1036892474.db2.gz JNNSKMYJIMEPNG-IBGZPJMESA-N 1 3 342.458 3.658 20 0 EHADHO C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464846451 1036892486 /nfs/dbraw/zinc/89/24/86/1036892486.db2.gz JNNSKMYJIMEPNG-IBGZPJMESA-N 1 3 342.458 3.658 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4COc5ccccc54)[C@@H]3C2)cc1 ZINC000311835884 1037044976 /nfs/dbraw/zinc/04/49/76/1037044976.db2.gz PTGNTMFWURDLBQ-PSBKLILYSA-N 1 3 348.490 3.663 20 0 EHADHO c1cc2c(cccc2CNC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000171128863 1037464274 /nfs/dbraw/zinc/46/42/74/1037464274.db2.gz ZLERKCUHYQHHJO-UHFFFAOYSA-N 1 3 333.479 3.965 20 0 EHADHO Clc1cccc(-c2cnc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328383 1037469492 /nfs/dbraw/zinc/46/94/92/1037469492.db2.gz KNWQDQRNHBQNCF-HZPDHXFCSA-N 1 3 345.874 3.817 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN(c3ccnc4ccccc43)CC2)C[C@@H](C)O1 ZINC000540297013 1037777464 /nfs/dbraw/zinc/77/74/64/1037777464.db2.gz ILSZVKJCSBSOGX-IAGOWNOFSA-N 1 3 339.483 3.560 20 0 EHADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183146987 1037932096 /nfs/dbraw/zinc/93/20/96/1037932096.db2.gz GRAURUWPANCTCH-RYFAJOAYSA-N 1 3 344.543 3.675 20 0 EHADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001168253294 1038202237 /nfs/dbraw/zinc/20/22/37/1038202237.db2.gz XHKPPEKZNWJYJF-OAQYLSRUSA-N 1 3 342.527 3.797 20 0 EHADHO COc1ccc2c(c1)C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001168253294 1038202248 /nfs/dbraw/zinc/20/22/48/1038202248.db2.gz XHKPPEKZNWJYJF-OAQYLSRUSA-N 1 3 342.527 3.797 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000378245786 1038302992 /nfs/dbraw/zinc/30/29/92/1038302992.db2.gz DVSUINJKNWTUSV-SFHVURJKSA-N 1 3 329.532 3.756 20 0 EHADHO CCCC[NH+](CCCC)CCNc1ccc(N2CCN(C)CC2)cc1 ZINC001167733084 1038328079 /nfs/dbraw/zinc/32/80/79/1038328079.db2.gz LIWRXGYETGBCJY-UHFFFAOYSA-N 1 3 346.563 3.753 20 0 EHADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924682217 1038664760 /nfs/dbraw/zinc/66/47/60/1038664760.db2.gz BDVWOPHASWLFTA-KSZLIROESA-N 1 3 332.536 3.628 20 0 EHADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924682217 1038664764 /nfs/dbraw/zinc/66/47/64/1038664764.db2.gz BDVWOPHASWLFTA-KSZLIROESA-N 1 3 332.536 3.628 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000539073763 1038671505 /nfs/dbraw/zinc/67/15/05/1038671505.db2.gz YJOVMAMEECYBQA-KOUHRCEDSA-N 1 3 330.516 3.802 20 0 EHADHO Cc1c[nH+]ccc1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480019629 1039042622 /nfs/dbraw/zinc/04/26/22/1039042622.db2.gz SSUJIHULDSGQQH-MRXNPFEDSA-N 1 3 335.373 3.517 20 0 EHADHO CN(Cc1ccc(Oc2ccc(F)cc2)nc1)CC1CC[NH+](C)CC1 ZINC000667597298 1039055461 /nfs/dbraw/zinc/05/54/61/1039055461.db2.gz IULSWSDUDLSPBQ-UHFFFAOYSA-N 1 3 343.446 3.787 20 0 EHADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488433319 1039177051 /nfs/dbraw/zinc/17/70/51/1039177051.db2.gz HXDGICFFVLEFDA-UFYCRDLUSA-N 1 3 332.557 3.671 20 0 EHADHO CCC[NH+]1CCC(NCC(C)(C)Oc2cc(F)cc(F)c2)CC1 ZINC000552325327 1039180695 /nfs/dbraw/zinc/18/06/95/1039180695.db2.gz SDNPXZMMFBNTSP-UHFFFAOYSA-N 1 3 326.431 3.586 20 0 EHADHO Fc1ccc(C(N[C@@H]2CC23CC[NH2+]CC3)c2ccc(F)cc2)cc1 ZINC000643536551 1039429440 /nfs/dbraw/zinc/42/94/40/1039429440.db2.gz UYQAGHUQEPCBQF-GOSISDBHSA-N 1 3 328.406 3.786 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC000549803655 1039918298 /nfs/dbraw/zinc/91/82/98/1039918298.db2.gz BIASZCBBQKXUGV-GBESFXJTSA-N 1 3 338.536 3.743 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)[C@H](C)C2 ZINC000490126789 1040364506 /nfs/dbraw/zinc/36/45/06/1040364506.db2.gz XZHYEEHJBNEEHM-OEMYIYORSA-N 1 3 330.516 3.707 20 0 EHADHO Brc1ccsc1CNCCCCC[NH+]1CCCC1 ZINC000549869642 1040462511 /nfs/dbraw/zinc/46/25/11/1040462511.db2.gz VSMYHTLMHGCIBI-UHFFFAOYSA-N 1 3 331.323 3.866 20 0 EHADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667867036 1040715875 /nfs/dbraw/zinc/71/58/75/1040715875.db2.gz QGMSQLXRLQMIBT-RTWAWAEBSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000120575373 1040849304 /nfs/dbraw/zinc/84/93/04/1040849304.db2.gz RYHBEIBSBARFRY-GOSISDBHSA-N 1 3 326.488 3.645 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924858518 1041069366 /nfs/dbraw/zinc/06/93/66/1041069366.db2.gz ZJCWWHDMWWLSPW-PZJWPPBQSA-N 1 3 334.548 3.826 20 0 EHADHO COc1cccc(CCC[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC000660680385 1041767754 /nfs/dbraw/zinc/76/77/54/1041767754.db2.gz XSCZPGHKIAMFEM-UHFFFAOYSA-N 1 3 338.495 3.882 20 0 EHADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660853832 1041845620 /nfs/dbraw/zinc/84/56/20/1041845620.db2.gz ISSVYKDTSMWPLS-GOSISDBHSA-N 1 3 340.515 3.692 20 0 EHADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660853832 1041845622 /nfs/dbraw/zinc/84/56/22/1041845622.db2.gz ISSVYKDTSMWPLS-GOSISDBHSA-N 1 3 340.515 3.692 20 0 EHADHO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000661138563 1041966591 /nfs/dbraw/zinc/96/65/91/1041966591.db2.gz ZZXSXAGCLWBHIP-NRFANRHFSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000661138563 1041966596 /nfs/dbraw/zinc/96/65/96/1041966596.db2.gz ZZXSXAGCLWBHIP-NRFANRHFSA-N 1 3 343.559 3.856 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473148055 1042344800 /nfs/dbraw/zinc/34/48/00/1042344800.db2.gz YVAFNMYOURQDDA-LJQANCHMSA-N 1 3 343.515 3.717 20 0 EHADHO C[C@H](c1cccs1)N(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253403 1042636547 /nfs/dbraw/zinc/63/65/47/1042636547.db2.gz USYVSUJFBLDMJX-SJLPKXTDSA-N 1 3 342.508 3.832 20 0 EHADHO c1c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)noc1-c1ccccc1 ZINC000662291915 1042662475 /nfs/dbraw/zinc/66/24/75/1042662475.db2.gz ARMWRBACDKHCSY-GOSISDBHSA-N 1 3 325.456 3.553 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386676 1042698984 /nfs/dbraw/zinc/69/89/84/1042698984.db2.gz DKURLQCBRDSTEE-MRXNPFEDSA-N 1 3 349.478 3.774 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386676 1042698986 /nfs/dbraw/zinc/69/89/86/1042698986.db2.gz DKURLQCBRDSTEE-MRXNPFEDSA-N 1 3 349.478 3.774 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C2CC2)c1 ZINC000663470658 1042900973 /nfs/dbraw/zinc/90/09/73/1042900973.db2.gz WBALJLKKFRWUIO-SIKLNZKXSA-N 1 3 342.527 3.728 20 0 EHADHO C[C@@H]1CN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432343759 1042977795 /nfs/dbraw/zinc/97/77/95/1042977795.db2.gz ADIVVCXSEQYYBU-CYBMUJFWSA-N 1 3 331.287 3.584 20 0 EHADHO CC(=O)Nc1cccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000585747659 1043022824 /nfs/dbraw/zinc/02/28/24/1043022824.db2.gz JQSZRUCCGVRKKM-UHFFFAOYSA-N 1 3 343.515 3.733 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404094 1043099171 /nfs/dbraw/zinc/09/91/71/1043099171.db2.gz CUDPNONUSMIQQQ-ROUUACIJSA-N 1 3 330.516 3.717 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404094 1043099184 /nfs/dbraw/zinc/09/91/84/1043099184.db2.gz CUDPNONUSMIQQQ-ROUUACIJSA-N 1 3 330.516 3.717 20 0 EHADHO CCCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432424266 1043166086 /nfs/dbraw/zinc/16/60/86/1043166086.db2.gz NRBCPJJFCLNUSF-MSOLQXFVSA-N 1 3 334.504 3.627 20 0 EHADHO CCCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432424266 1043166095 /nfs/dbraw/zinc/16/60/95/1043166095.db2.gz NRBCPJJFCLNUSF-MSOLQXFVSA-N 1 3 334.504 3.627 20 0 EHADHO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000310513337 1043621079 /nfs/dbraw/zinc/62/10/79/1043621079.db2.gz KMERIUGAJZLVRI-PMACEKPBSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN(C/C=C\c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512176673 1043647686 /nfs/dbraw/zinc/64/76/86/1043647686.db2.gz DJYSTOOWZGRXID-FEFURNDJSA-N 1 3 346.490 3.660 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN(C/C=C\c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512176673 1043647693 /nfs/dbraw/zinc/64/76/93/1043647693.db2.gz DJYSTOOWZGRXID-FEFURNDJSA-N 1 3 346.490 3.660 20 0 EHADHO CCn1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000307968370 1125677232 /nfs/dbraw/zinc/67/72/32/1125677232.db2.gz VTPDVWRAMVKBRA-OXJNMPFZSA-N 1 3 340.515 3.520 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000155017991 1125775533 /nfs/dbraw/zinc/77/55/33/1125775533.db2.gz OQENWDUSTNXWJC-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000155017991 1125775536 /nfs/dbraw/zinc/77/55/36/1125775536.db2.gz OQENWDUSTNXWJC-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000174400251 1126852368 /nfs/dbraw/zinc/85/23/68/1126852368.db2.gz QLUHAWBYMIUZRQ-LJQANCHMSA-N 1 3 342.458 3.788 20 0 EHADHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000174400251 1126852370 /nfs/dbraw/zinc/85/23/70/1126852370.db2.gz QLUHAWBYMIUZRQ-LJQANCHMSA-N 1 3 342.458 3.788 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000623344906 1126923370 /nfs/dbraw/zinc/92/33/70/1126923370.db2.gz ICSNTCRYBRJOLN-AWEZNQCLSA-N 1 3 330.394 3.590 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000623441152 1126956304 /nfs/dbraw/zinc/95/63/04/1126956304.db2.gz FRMFHIKVUBFFHT-RLLQIKCJSA-N 1 3 329.532 3.502 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477672 1126967581 /nfs/dbraw/zinc/96/75/81/1126967581.db2.gz OMLLRWSZWYJLKG-UONOGXRCSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477672 1126967584 /nfs/dbraw/zinc/96/75/84/1126967584.db2.gz OMLLRWSZWYJLKG-UONOGXRCSA-N 1 3 339.886 3.520 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000178036956 1127004863 /nfs/dbraw/zinc/00/48/63/1127004863.db2.gz FYJYATXWQPAQSA-MCIONIFRSA-N 1 3 344.421 3.644 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861046 1127200607 /nfs/dbraw/zinc/20/06/07/1127200607.db2.gz NBQVAYXOIYFWAZ-VXGBXAGGSA-N 1 3 330.369 3.979 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867265 1127206386 /nfs/dbraw/zinc/20/63/86/1127206386.db2.gz VVDRQAORBWECAE-VXGBXAGGSA-N 1 3 349.828 3.616 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC3 ZINC000624122730 1127256471 /nfs/dbraw/zinc/25/64/71/1127256471.db2.gz ZSTSHYMLVHDMLT-DLBZAZTESA-N 1 3 325.500 3.655 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000180978238 1127262481 /nfs/dbraw/zinc/26/24/81/1127262481.db2.gz UCGGTQGAOIZSMW-HIFRSBDPSA-N 1 3 330.394 3.763 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(F)cc(Br)c1 ZINC000181527297 1127281763 /nfs/dbraw/zinc/28/17/63/1127281763.db2.gz UMKUAVWISSOJSQ-WBMJQRKESA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185737023 1127430666 /nfs/dbraw/zinc/43/06/66/1127430666.db2.gz HWGCIUSKWVFQGC-TZIWHRDSSA-N 1 3 344.543 3.878 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921619246 1127833884 /nfs/dbraw/zinc/83/38/84/1127833884.db2.gz NSJUJPCXFWQHGW-SVFBPWRDSA-N 1 3 334.548 3.826 20 0 EHADHO COc1ccc([C@H]2C[C@H]([NH+]3C(C)(C)CC(N)CC3(C)C)CCO2)cc1 ZINC001168591179 1128177898 /nfs/dbraw/zinc/17/78/98/1128177898.db2.gz UCYYRZDTMPFSEW-IEBWSBKVSA-N 1 3 346.515 3.896 20 0 EHADHO COc1ccc([C@H]2C[C@@H]([NH+]3C(C)(C)CC(N)CC3(C)C)CCO2)cc1 ZINC001168591181 1128177930 /nfs/dbraw/zinc/17/79/30/1128177930.db2.gz UCYYRZDTMPFSEW-PKOBYXMFSA-N 1 3 346.515 3.896 20 0 EHADHO Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001648964873 1120283808 /nfs/dbraw/zinc/28/38/08/1120283808.db2.gz FGTROLAUTMKQOI-KRWDZBQOSA-N 1 3 343.902 3.924 20 0 EHADHO Cc1ccccc1[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC000189932015 1120618065 /nfs/dbraw/zinc/61/80/65/1120618065.db2.gz ZPVIWTLFUUZBJL-NRFANRHFSA-N 1 3 331.548 3.698 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300530279 1121029140 /nfs/dbraw/zinc/02/91/40/1121029140.db2.gz OMGZMEXTFNTWCX-GDBMZVCRSA-N 1 3 339.321 3.700 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653159 1128988278 /nfs/dbraw/zinc/98/82/78/1128988278.db2.gz ACIQNZGVPWOMGA-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653159 1128988279 /nfs/dbraw/zinc/98/82/79/1128988279.db2.gz ACIQNZGVPWOMGA-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653159 1128988281 /nfs/dbraw/zinc/98/82/81/1128988281.db2.gz ACIQNZGVPWOMGA-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398022644 1121960545 /nfs/dbraw/zinc/96/05/45/1121960545.db2.gz AUWCZZPQLCMDEH-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398022644 1121960549 /nfs/dbraw/zinc/96/05/49/1121960549.db2.gz AUWCZZPQLCMDEH-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO CN1CCC(O)(C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497865485 1122682962 /nfs/dbraw/zinc/68/29/62/1122682962.db2.gz UOTJVMPOAZYUFX-GOSISDBHSA-N 1 3 330.472 3.566 20 0 EHADHO CC(C)(C)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556936024 1123225050 /nfs/dbraw/zinc/22/50/50/1123225050.db2.gz JVNGCQXESRMDMH-HXUWFJFHSA-N 1 3 344.543 3.941 20 0 EHADHO Cc1nccn1C[C@H](C)C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000080208540 1123746354 /nfs/dbraw/zinc/74/63/54/1123746354.db2.gz VRPZCIRDAUJLBT-GOSISDBHSA-N 1 3 342.531 3.575 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247199094 1124594056 /nfs/dbraw/zinc/59/40/56/1124594056.db2.gz WEFXZJZOWPCFBW-RDBSUJKOSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247199094 1124594062 /nfs/dbraw/zinc/59/40/62/1124594062.db2.gz WEFXZJZOWPCFBW-RDBSUJKOSA-N 1 3 330.394 3.545 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000248163561 1124644476 /nfs/dbraw/zinc/64/44/76/1124644476.db2.gz SNNMQXORANUXJW-NJYVYQBISA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000248163561 1124644478 /nfs/dbraw/zinc/64/44/78/1124644478.db2.gz SNNMQXORANUXJW-NJYVYQBISA-N 1 3 328.500 3.542 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1F ZINC000248862300 1124708951 /nfs/dbraw/zinc/70/89/51/1124708951.db2.gz GNTODUINTLKTBM-SJLPKXTDSA-N 1 3 336.495 3.723 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C3CCC3)C1)C2 ZINC000248967499 1124723004 /nfs/dbraw/zinc/72/30/04/1124723004.db2.gz CSPWIBMKOPMRNT-UHOSZYNNSA-N 1 3 342.527 3.795 20 0 EHADHO FC(F)OCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249292701 1124751430 /nfs/dbraw/zinc/75/14/30/1124751430.db2.gz QETUBKAVKGNJSB-RCCFBDPRSA-N 1 3 338.442 3.506 20 0 EHADHO O[C@H](CN1CCCC1)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000735363875 1131337361 /nfs/dbraw/zinc/33/73/61/1131337361.db2.gz FZXOSSOYZJAURA-MOPGFXCFSA-N 1 3 336.907 3.714 20 0 EHADHO O[C@H](CN1CCCC1)C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000735363875 1131337365 /nfs/dbraw/zinc/33/73/65/1131337365.db2.gz FZXOSSOYZJAURA-MOPGFXCFSA-N 1 3 336.907 3.714 20 0 EHADHO CC[NH+](CC)CCCC1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000182762239 1125366432 /nfs/dbraw/zinc/36/64/32/1125366432.db2.gz PUVQHPWGFIAJSK-FQEVSTJZSA-N 1 3 336.495 3.693 20 0 EHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994214 1129677018 /nfs/dbraw/zinc/67/70/18/1129677018.db2.gz OYVITJVIRYALSC-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994214 1129677021 /nfs/dbraw/zinc/67/70/21/1129677021.db2.gz OYVITJVIRYALSC-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO C[C@H](Cc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752165 1130464815 /nfs/dbraw/zinc/46/48/15/1130464815.db2.gz IBYSZNBDARMTSP-COXVUDFISA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1cccc(Br)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752165 1130464817 /nfs/dbraw/zinc/46/48/17/1130464817.db2.gz IBYSZNBDARMTSP-COXVUDFISA-N 1 3 337.305 3.597 20 0 EHADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157117 1130593492 /nfs/dbraw/zinc/59/34/92/1130593492.db2.gz FNDABSWQBRPAMV-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157117 1130593494 /nfs/dbraw/zinc/59/34/94/1130593494.db2.gz FNDABSWQBRPAMV-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172770650 1131841152 /nfs/dbraw/zinc/84/11/52/1131841152.db2.gz NJEOLVQQHGGGFJ-QGZVFWFLSA-N 1 3 338.536 3.836 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172770650 1131841159 /nfs/dbraw/zinc/84/11/59/1131841159.db2.gz NJEOLVQQHGGGFJ-QGZVFWFLSA-N 1 3 338.536 3.836 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172770650 1131841170 /nfs/dbraw/zinc/84/11/70/1131841170.db2.gz NJEOLVQQHGGGFJ-QGZVFWFLSA-N 1 3 338.536 3.836 20 0 EHADHO [NH3+]C1(c2ccccc2)CCN(C2CCC3(CCOCC3)CC2)CC1 ZINC001173043980 1131940759 /nfs/dbraw/zinc/94/07/59/1131940759.db2.gz KDSVLGCYETZZEU-UHFFFAOYSA-N 1 3 328.500 3.676 20 0 EHADHO CCCOC1CCC(N2CCC([NH3+])(c3ccc(OC)cc3)CC2)CC1 ZINC001173096091 1131952975 /nfs/dbraw/zinc/95/29/75/1131952975.db2.gz TZFRZOOKQUSECC-UHFFFAOYSA-N 1 3 346.515 3.683 20 0 EHADHO CCSC[C@H](C)N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001173298982 1132032522 /nfs/dbraw/zinc/03/25/22/1132032522.db2.gz CVYOOFULPZAEMU-INIZCTEOSA-N 1 3 329.513 3.807 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC001169127980 1132665399 /nfs/dbraw/zinc/66/53/99/1132665399.db2.gz AWLYSDDVPFRMSK-FVQHAEBGSA-N 1 3 343.446 3.772 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC001169127980 1132665404 /nfs/dbraw/zinc/66/54/04/1132665404.db2.gz AWLYSDDVPFRMSK-FVQHAEBGSA-N 1 3 343.446 3.772 20 0 EHADHO Cc1c(F)cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206004491 1132690961 /nfs/dbraw/zinc/69/09/61/1132690961.db2.gz SQMGWJQVXJLYKH-BXUZGUMPSA-N 1 3 343.284 3.703 20 0 EHADHO C[C@@H]1C[N@H+](CCCNCc2ccc(C3CCCC3)cc2)CCCO1 ZINC001178472371 1133172118 /nfs/dbraw/zinc/17/21/18/1133172118.db2.gz CLHMNSYBZWRCJG-GOSISDBHSA-N 1 3 330.516 3.935 20 0 EHADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(C3CCCC3)cc2)CCCO1 ZINC001178472371 1133172121 /nfs/dbraw/zinc/17/21/21/1133172121.db2.gz CLHMNSYBZWRCJG-GOSISDBHSA-N 1 3 330.516 3.935 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC([NH+]2CCCCC2)CC1 ZINC000785753432 1133747975 /nfs/dbraw/zinc/74/79/75/1133747975.db2.gz HSRSULVXTBWPPR-UHFFFAOYSA-N 1 3 325.456 3.698 20 0 EHADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001183643750 1133835192 /nfs/dbraw/zinc/83/51/92/1133835192.db2.gz WPIVVEFZFBSRNK-RZUBCFFCSA-N 1 3 342.527 3.503 20 0 EHADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001183643750 1133835196 /nfs/dbraw/zinc/83/51/96/1133835196.db2.gz WPIVVEFZFBSRNK-RZUBCFFCSA-N 1 3 342.527 3.503 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184387977 1133933679 /nfs/dbraw/zinc/93/36/79/1133933679.db2.gz ODICGIKABZTESN-VWNJHIHFSA-N 1 3 326.406 3.566 20 0 EHADHO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775385902 1134697029 /nfs/dbraw/zinc/69/70/29/1134697029.db2.gz BMQKOPVKFDZVGG-UTKZUKDTSA-N 1 3 348.531 3.883 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCC(C)(O)CC2)ccc1OC ZINC000775398415 1134724837 /nfs/dbraw/zinc/72/48/37/1134724837.db2.gz YKTAPJHEXVNJGG-YQHFOJDRSA-N 1 3 348.531 3.881 20 0 EHADHO Cc1cnccc1C[NH+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 ZINC001196961101 1135635340 /nfs/dbraw/zinc/63/53/40/1135635340.db2.gz IUQQKVJFTLBJHA-FGZHOGPDSA-N 1 3 335.495 3.734 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC001199328762 1135898006 /nfs/dbraw/zinc/89/80/06/1135898006.db2.gz IUJVKDJKZHQFTF-NRFANRHFSA-N 1 3 343.559 3.883 20 0 EHADHO CCCCCC[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001201750995 1136059251 /nfs/dbraw/zinc/05/92/51/1136059251.db2.gz REWUHLWPCONDDO-UHFFFAOYSA-N 1 3 345.531 3.576 20 0 EHADHO Clc1csc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000850361658 1136241386 /nfs/dbraw/zinc/24/13/86/1136241386.db2.gz AMEKCHFXIIZEFT-UHFFFAOYSA-N 1 3 335.904 3.798 20 0 EHADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516638 1136275817 /nfs/dbraw/zinc/27/58/17/1136275817.db2.gz HNEUMCZPGUESMJ-KRWDZBQOSA-N 1 3 341.474 3.654 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)ccc1OC ZINC000850525450 1136277813 /nfs/dbraw/zinc/27/78/13/1136277813.db2.gz NMVAFOHTOKEAII-LPHOPBHVSA-N 1 3 346.515 3.899 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657216 1136486039 /nfs/dbraw/zinc/48/60/39/1136486039.db2.gz NMRIPPFTTOGTBG-SJLPKXTDSA-N 1 3 345.487 3.558 20 0 EHADHO CN1CCC[C@]2(CC[N@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146547 1136562011 /nfs/dbraw/zinc/56/20/11/1136562011.db2.gz RMHSZEMYANZQSO-KRWDZBQOSA-N 1 3 326.456 3.919 20 0 EHADHO CN1CCC[C@]2(CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146547 1136562014 /nfs/dbraw/zinc/56/20/14/1136562014.db2.gz RMHSZEMYANZQSO-KRWDZBQOSA-N 1 3 326.456 3.919 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](SC)C2)CC1 ZINC000776702330 1136578715 /nfs/dbraw/zinc/57/87/15/1136578715.db2.gz YJNFDKOFQXTUIR-RBUKOAKNSA-N 1 3 347.572 3.592 20 0 EHADHO [NH3+]C1(c2ccccc2C(F)(F)F)CCN([C@@H]2CCCOCC2)CC1 ZINC001170795594 1136623271 /nfs/dbraw/zinc/62/32/71/1136623271.db2.gz GDDAXAHCLSGWFJ-CQSZACIVSA-N 1 3 342.405 3.524 20 0 EHADHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817905484 1136845148 /nfs/dbraw/zinc/84/51/48/1136845148.db2.gz NZKSWIHPDSOBGJ-OITRIXBGSA-N 1 3 334.479 3.538 20 0 EHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000817947280 1136850293 /nfs/dbraw/zinc/85/02/93/1136850293.db2.gz BCSOLWDUQMSZBX-ZDUSSCGKSA-N 1 3 338.373 3.937 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000817962174 1136852116 /nfs/dbraw/zinc/85/21/16/1136852116.db2.gz GWCSWYQONKKGFC-GJZGRUSLSA-N 1 3 339.439 3.514 20 0 EHADHO CC(C)c1ccc(C2(O)CCC(N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817969311 1136853618 /nfs/dbraw/zinc/85/36/18/1136853618.db2.gz UMIRRZVGCZBLIM-QGZBPCDMSA-N 1 3 330.516 3.528 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC000817971182 1136853889 /nfs/dbraw/zinc/85/38/89/1136853889.db2.gz KGKZUDYFIKGTRO-FZQMEJGWSA-N 1 3 330.516 3.670 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101487 1136908643 /nfs/dbraw/zinc/90/86/43/1136908643.db2.gz VHNKOIKBONGGHF-DKSSEZFCSA-N 1 3 348.487 3.593 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101487 1136908648 /nfs/dbraw/zinc/90/86/48/1136908648.db2.gz VHNKOIKBONGGHF-DKSSEZFCSA-N 1 3 348.487 3.593 20 0 EHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000859995155 1137039981 /nfs/dbraw/zinc/03/99/81/1137039981.db2.gz MEXXSARENNILAO-LJQANCHMSA-N 1 3 348.437 3.582 20 0 EHADHO Cc1cc(CN[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000119903456 1137218353 /nfs/dbraw/zinc/21/83/53/1137218353.db2.gz MSPDCBULLOLTNC-OAHLLOKOSA-N 1 3 345.462 3.638 20 0 EHADHO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC001171302613 1137405500 /nfs/dbraw/zinc/40/55/00/1137405500.db2.gz WMUYIKYGQLRQPX-RRFJBIMHSA-N 1 3 336.907 3.668 20 0 EHADHO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001171349284 1137455934 /nfs/dbraw/zinc/45/59/34/1137455934.db2.gz HSCCBSRBULHCKW-KRWDZBQOSA-N 1 3 334.454 3.819 20 0 EHADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716619062 1137487753 /nfs/dbraw/zinc/48/77/53/1137487753.db2.gz BARQSGMKIZYSQN-GVVDHYSOSA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716680089 1137488250 /nfs/dbraw/zinc/48/82/50/1137488250.db2.gz FRJKPILWMMPEFL-NMLBUPMWSA-N 1 3 328.500 3.587 20 0 EHADHO CCCC[N@H+](C)CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506373 1137495111 /nfs/dbraw/zinc/49/51/11/1137495111.db2.gz VRDBTCWFYCXKHO-CQSZACIVSA-N 1 3 328.422 3.673 20 0 EHADHO CCCC[N@@H+](C)CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506373 1137495112 /nfs/dbraw/zinc/49/51/12/1137495112.db2.gz VRDBTCWFYCXKHO-CQSZACIVSA-N 1 3 328.422 3.673 20 0 EHADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506373 1137495114 /nfs/dbraw/zinc/49/51/14/1137495114.db2.gz VRDBTCWFYCXKHO-CQSZACIVSA-N 1 3 328.422 3.673 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171621800 1137501107 /nfs/dbraw/zinc/50/11/07/1137501107.db2.gz QCGUVSKQKSPWEC-INIZCTEOSA-N 1 3 330.516 3.794 20 0 EHADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171623786 1137501337 /nfs/dbraw/zinc/50/13/37/1137501337.db2.gz GIPSJTJSWVUHFE-WKILWMFISA-N 1 3 338.536 3.739 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC[C@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637882 1137504482 /nfs/dbraw/zinc/50/44/82/1137504482.db2.gz QTNRLBPOHVZUMV-SFHVURJKSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637882 1137504483 /nfs/dbraw/zinc/50/44/83/1137504483.db2.gz QTNRLBPOHVZUMV-SFHVURJKSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637882 1137504485 /nfs/dbraw/zinc/50/44/85/1137504485.db2.gz QTNRLBPOHVZUMV-SFHVURJKSA-N 1 3 331.504 3.576 20 0 EHADHO Cc1cccnc1O[C@H]1CCCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641926 1137504878 /nfs/dbraw/zinc/50/48/78/1137504878.db2.gz WIGPQBRFTHUOEU-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccnc1O[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641926 1137504879 /nfs/dbraw/zinc/50/48/79/1137504879.db2.gz WIGPQBRFTHUOEU-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccnc1O[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641926 1137504880 /nfs/dbraw/zinc/50/48/80/1137504880.db2.gz WIGPQBRFTHUOEU-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001171790387 1137512581 /nfs/dbraw/zinc/51/25/81/1137512581.db2.gz KBTAQFKETGZSKJ-LPHOPBHVSA-N 1 3 328.475 3.703 20 0 EHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001171790387 1137512583 /nfs/dbraw/zinc/51/25/83/1137512583.db2.gz KBTAQFKETGZSKJ-LPHOPBHVSA-N 1 3 328.475 3.703 20 0 EHADHO CC1(C)C[C@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CCN1Cc1ccccc1 ZINC001171988868 1137522442 /nfs/dbraw/zinc/52/24/42/1137522442.db2.gz WVCSTRRCOGTUPW-QZTJIDSGSA-N 1 3 348.531 3.959 20 0 EHADHO CCOC(=O)CC1(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980822 1137526422 /nfs/dbraw/zinc/52/64/22/1137526422.db2.gz XDIFSYOLOXMTFZ-SFHVURJKSA-N 1 3 344.499 3.505 20 0 EHADHO CCOC(=O)CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980822 1137526424 /nfs/dbraw/zinc/52/64/24/1137526424.db2.gz XDIFSYOLOXMTFZ-SFHVURJKSA-N 1 3 344.499 3.505 20 0 EHADHO c1ncc(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001172072086 1137529865 /nfs/dbraw/zinc/52/98/65/1137529865.db2.gz KKHLALFARUJQQV-REPLKXPHSA-N 1 3 341.524 3.861 20 0 EHADHO c1ncc(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001172072086 1137529867 /nfs/dbraw/zinc/52/98/67/1137529867.db2.gz KKHLALFARUJQQV-REPLKXPHSA-N 1 3 341.524 3.861 20 0 EHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCOCC24CCC4)C3)cc1 ZINC001172082743 1137531463 /nfs/dbraw/zinc/53/14/63/1137531463.db2.gz LNHKJTVURYRLLB-WKCHPHFGSA-N 1 3 340.511 3.827 20 0 EHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCOCC24CCC4)C3)cc1 ZINC001172082743 1137531465 /nfs/dbraw/zinc/53/14/65/1137531465.db2.gz LNHKJTVURYRLLB-WKCHPHFGSA-N 1 3 340.511 3.827 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104915 1137536426 /nfs/dbraw/zinc/53/64/26/1137536426.db2.gz FARJPUUTWGWHFR-UGNRZPKXSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104915 1137536428 /nfs/dbraw/zinc/53/64/28/1137536428.db2.gz FARJPUUTWGWHFR-UGNRZPKXSA-N 1 3 346.490 3.898 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001172249865 1137544898 /nfs/dbraw/zinc/54/48/98/1137544898.db2.gz TYVYSPWKCKKZOG-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001172332524 1137551265 /nfs/dbraw/zinc/55/12/65/1137551265.db2.gz IJRNHKXBITUCKS-ROUUACIJSA-N 1 3 348.531 3.625 20 0 EHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001172332525 1137551424 /nfs/dbraw/zinc/55/14/24/1137551424.db2.gz IJRNHKXBITUCKS-ZWKOTPCHSA-N 1 3 348.531 3.625 20 0 EHADHO COc1ccccc1CC1(N)CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172371479 1137555396 /nfs/dbraw/zinc/55/53/96/1137555396.db2.gz UNAJNFGYEUEQIZ-JENIJYKNSA-N 1 3 330.516 3.856 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000873292101 1137596830 /nfs/dbraw/zinc/59/68/30/1137596830.db2.gz ZISXVPFYAUHQBB-JSGCOSHPSA-N 1 3 343.298 3.803 20 0 EHADHO C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743039 1137687664 /nfs/dbraw/zinc/68/76/64/1137687664.db2.gz SYRXOWGUXTUWSR-KMFMINBZSA-N 1 3 326.406 3.835 20 0 EHADHO C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743039 1137687665 /nfs/dbraw/zinc/68/76/65/1137687665.db2.gz SYRXOWGUXTUWSR-KMFMINBZSA-N 1 3 326.406 3.835 20 0 EHADHO COc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1F ZINC000126735182 1137692634 /nfs/dbraw/zinc/69/26/34/1137692634.db2.gz SXLMBHLHEMMIAQ-UHFFFAOYSA-N 1 3 330.447 3.964 20 0 EHADHO COc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1F ZINC000126735182 1137692635 /nfs/dbraw/zinc/69/26/35/1137692635.db2.gz SXLMBHLHEMMIAQ-UHFFFAOYSA-N 1 3 330.447 3.964 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3oc(=O)oc3c2)c1 ZINC000882932231 1137838981 /nfs/dbraw/zinc/83/89/81/1137838981.db2.gz BULCBINLDDQAIZ-UHFFFAOYSA-N 1 3 340.423 3.516 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3oc(=O)oc3c2)c1 ZINC000882932231 1137838982 /nfs/dbraw/zinc/83/89/82/1137838982.db2.gz BULCBINLDDQAIZ-UHFFFAOYSA-N 1 3 340.423 3.516 20 0 EHADHO Cc1[nH]nc(CNCc2cccc(C[NH+]3CCC(C)CC3)c2)c1C ZINC000885968838 1138029367 /nfs/dbraw/zinc/02/93/67/1138029367.db2.gz AZVNIDPIODJOMS-UHFFFAOYSA-N 1 3 326.488 3.548 20 0 EHADHO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886532223 1138091312 /nfs/dbraw/zinc/09/13/12/1138091312.db2.gz GFPSIOOZLFUCFA-MDNKFWRPSA-N 1 3 330.516 3.833 20 0 EHADHO C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC[C@H]1O ZINC000886537279 1138092480 /nfs/dbraw/zinc/09/24/80/1138092480.db2.gz XPSRDGPMCLARKZ-MLBCHFTJSA-N 1 3 342.527 3.570 20 0 EHADHO FC(F)(F)C1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886609382 1138101443 /nfs/dbraw/zinc/10/14/43/1138101443.db2.gz RTBFJSWHUGQVRR-ULQDDVLXSA-N 1 3 338.417 3.972 20 0 EHADHO FC(F)(F)C1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886609382 1138101444 /nfs/dbraw/zinc/10/14/44/1138101444.db2.gz RTBFJSWHUGQVRR-ULQDDVLXSA-N 1 3 338.417 3.972 20 0 EHADHO FC(F)(F)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886609382 1138101445 /nfs/dbraw/zinc/10/14/45/1138101445.db2.gz RTBFJSWHUGQVRR-ULQDDVLXSA-N 1 3 338.417 3.972 20 0 EHADHO CC1([NH+]2CCCC2)CCC(N[C@@H](CCO)c2ccccc2F)CC1 ZINC000886629501 1138103686 /nfs/dbraw/zinc/10/36/86/1138103686.db2.gz GLSAREYYKOGDLV-AJPWXKBRSA-N 1 3 334.479 3.636 20 0 EHADHO COC1([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886626463 1138103761 /nfs/dbraw/zinc/10/37/61/1138103761.db2.gz BXJSILMZDGPPQO-GTAWCEEGSA-N 1 3 328.500 3.587 20 0 EHADHO CCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253453 1138226303 /nfs/dbraw/zinc/22/63/03/1138226303.db2.gz PBHWBMUKCWXUTQ-CQSZACIVSA-N 1 3 340.895 3.521 20 0 EHADHO CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253453 1138226305 /nfs/dbraw/zinc/22/63/05/1138226305.db2.gz PBHWBMUKCWXUTQ-CQSZACIVSA-N 1 3 340.895 3.521 20 0 EHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCCO2 ZINC000123721490 1138274089 /nfs/dbraw/zinc/27/40/89/1138274089.db2.gz RQKBNFHMOLDOBO-INIZCTEOSA-N 1 3 340.467 3.760 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000124006203 1138277272 /nfs/dbraw/zinc/27/72/72/1138277272.db2.gz KHNYRJQVRFMGTI-KRWDZBQOSA-N 1 3 349.482 3.570 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000124006203 1138277274 /nfs/dbraw/zinc/27/72/74/1138277274.db2.gz KHNYRJQVRFMGTI-KRWDZBQOSA-N 1 3 349.482 3.570 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1NC(C)=O ZINC000125966466 1138320255 /nfs/dbraw/zinc/32/02/55/1138320255.db2.gz AIGGZWMNRBGLGQ-IFXJQAMLSA-N 1 3 349.519 3.671 20 0 EHADHO CCOc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)ccc1O ZINC000263824858 1138375526 /nfs/dbraw/zinc/37/55/26/1138375526.db2.gz LFXCBZISUMFSTB-UHFFFAOYSA-N 1 3 340.467 3.677 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177067031 1139595268 /nfs/dbraw/zinc/59/52/68/1139595268.db2.gz UMRDQLARGPPHQX-SFHVURJKSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177067031 1139595270 /nfs/dbraw/zinc/59/52/70/1139595270.db2.gz UMRDQLARGPPHQX-SFHVURJKSA-N 1 3 343.515 3.650 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000178039416 1139664492 /nfs/dbraw/zinc/66/44/92/1139664492.db2.gz WEETWLUBVGOWBE-XHSDSOJGSA-N 1 3 347.528 3.836 20 0 EHADHO C[C@H](NCc1ccc(Cl)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178246936 1139682201 /nfs/dbraw/zinc/68/22/01/1139682201.db2.gz IXJFWWQEDWMDHV-AWEZNQCLSA-N 1 3 333.863 3.526 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)s1 ZINC000182272293 1139962594 /nfs/dbraw/zinc/96/25/94/1139962594.db2.gz IVHJOJQASVCDLJ-BEFAXECRSA-N 1 3 344.524 3.782 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000182272293 1139962598 /nfs/dbraw/zinc/96/25/98/1139962598.db2.gz IVHJOJQASVCDLJ-BEFAXECRSA-N 1 3 344.524 3.782 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cncc(C)c2)cc1 ZINC000184282292 1140092416 /nfs/dbraw/zinc/09/24/16/1140092416.db2.gz TTXURTXVQKGIBU-GOSISDBHSA-N 1 3 341.499 3.961 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186371233 1140200333 /nfs/dbraw/zinc/20/03/33/1140200333.db2.gz RFSFHHCCBODQFP-UHFFFAOYSA-N 1 3 332.488 3.686 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1F ZINC000187124145 1140239916 /nfs/dbraw/zinc/23/99/16/1140239916.db2.gz MOVDHNXVDSRGLY-HNNXBMFYSA-N 1 3 336.495 3.865 20 0 EHADHO CC(C)[NH+]1CCN(CCCN[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000191609033 1140474548 /nfs/dbraw/zinc/47/45/48/1140474548.db2.gz XLHPBJNUFDFEOB-HNNXBMFYSA-N 1 3 341.902 3.546 20 0 EHADHO C[C@@H](NCc1ccccc1N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000271455213 1141371497 /nfs/dbraw/zinc/37/14/97/1141371497.db2.gz GORZRRTXGBDWDU-QGZVFWFLSA-N 1 3 341.499 3.544 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000271544154 1141393268 /nfs/dbraw/zinc/39/32/68/1141393268.db2.gz TUWYJVRIDLQQIW-CGRMTHRGSA-N 1 3 328.500 3.592 20 0 EHADHO CC[C@H](NC1CC[NH+](CC)CC1)c1cccc(Br)c1 ZINC000038098162 213200829 /nfs/dbraw/zinc/20/08/29/213200829.db2.gz YYEOYPITQBSTIZ-INIZCTEOSA-N 1 3 325.294 3.974 20 0 EHADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000037786420 213166882 /nfs/dbraw/zinc/16/68/82/213166882.db2.gz AQQPJJUXPNBIDH-UHFFFAOYSA-N 1 3 325.294 3.802 20 0 EHADHO C[C@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H](C)CN1C ZINC001164635489 719212178 /nfs/dbraw/zinc/21/21/78/719212178.db2.gz IQJRVPISIZBDME-IRXDYDNUSA-N 1 3 334.467 3.613 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430146836 1014399778 /nfs/dbraw/zinc/39/97/78/1014399778.db2.gz MQRQQQFBIGJEHS-HVEPWOEZSA-N 1 3 336.426 3.719 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430146836 1014399788 /nfs/dbraw/zinc/39/97/88/1014399788.db2.gz MQRQQQFBIGJEHS-HVEPWOEZSA-N 1 3 336.426 3.719 20 0 EHADHO CN(Cc1cc(Cl)ccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000172534375 1014578508 /nfs/dbraw/zinc/57/85/08/1014578508.db2.gz CNFZTRDFWJZNAT-UHFFFAOYSA-N 1 3 332.822 3.715 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648880 1016141104 /nfs/dbraw/zinc/14/11/04/1016141104.db2.gz RLGZRLOQFDCKBS-SUMWQHHRSA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648880 1016141113 /nfs/dbraw/zinc/14/11/13/1016141113.db2.gz RLGZRLOQFDCKBS-SUMWQHHRSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000165308384 1016450165 /nfs/dbraw/zinc/45/01/65/1016450165.db2.gz OGYAFGOJEJOYHD-QGZVFWFLSA-N 1 3 349.950 3.626 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449104531 1032183871 /nfs/dbraw/zinc/18/38/71/1032183871.db2.gz GDOPGBIUSXDASF-AWEZNQCLSA-N 1 3 333.476 3.771 20 0 EHADHO Cc1cc(Br)c(CNCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459783455 1032467032 /nfs/dbraw/zinc/46/70/32/1032467032.db2.gz NEZHFMOATHPKFQ-LBPRGKRZSA-N 1 3 331.323 3.641 20 0 EHADHO Cc1cc(Br)c(CNCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459783455 1032467035 /nfs/dbraw/zinc/46/70/35/1032467035.db2.gz NEZHFMOATHPKFQ-LBPRGKRZSA-N 1 3 331.323 3.641 20 0 EHADHO CS[C@@H]1CCCCN(CCC[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484610 /nfs/dbraw/zinc/48/46/10/1032484610.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 1 3 330.607 3.812 20 0 EHADHO CS[C@@H]1CCCCN(CCC[N@H+]2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484613 /nfs/dbraw/zinc/48/46/13/1032484613.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 1 3 330.607 3.812 20 0 EHADHO CS[C@@H]1CCCC[N@@H+](CCCN2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484625 /nfs/dbraw/zinc/48/46/25/1032484625.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 1 3 330.607 3.812 20 0 EHADHO CS[C@@H]1CCCC[N@H+](CCCN2CCCC[C@H](SC)C2)C1 ZINC000118971629 1032484628 /nfs/dbraw/zinc/48/46/28/1032484628.db2.gz BDXRZWJEGKIEFL-CALCHBBNSA-N 1 3 330.607 3.812 20 0 EHADHO COc1cc2ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc2cc1OC ZINC000657859587 1032511064 /nfs/dbraw/zinc/51/10/64/1032511064.db2.gz WGLDTKOXKSOMLE-LSDHHAIUSA-N 1 3 330.472 3.848 20 0 EHADHO Clc1cccc(OCC[NH2+]C2CCN(CC3CC3)CC2)c1Cl ZINC000537107209 1032523277 /nfs/dbraw/zinc/52/32/77/1032523277.db2.gz PBDIKMCWHCLATB-UHFFFAOYSA-N 1 3 343.298 3.836 20 0 EHADHO COC[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000449473408 1032595070 /nfs/dbraw/zinc/59/50/70/1032595070.db2.gz BUZZYMVCSYAEIY-INIZCTEOSA-N 1 3 338.923 3.923 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000131196458 1123057923 /nfs/dbraw/zinc/05/79/23/1123057923.db2.gz IYEJNMJKTMWKFY-RYUDHWBXSA-N 1 3 329.257 3.581 20 0 EHADHO Fc1ccc2c(c1)CCN2C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000549150799 1017380003 /nfs/dbraw/zinc/38/00/03/1017380003.db2.gz PYNCWNFXGWOPEK-UHFFFAOYSA-N 1 3 345.506 3.529 20 0 EHADHO CC[C@H](CN[C@@H]1CCC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000415127216 1017579055 /nfs/dbraw/zinc/57/90/55/1017579055.db2.gz VNVAQRKFHCWTQP-ZIAGYGMSSA-N 1 3 330.394 3.595 20 0 EHADHO COCCN(C)CCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582499 1018585162 /nfs/dbraw/zinc/58/51/62/1018585162.db2.gz FRXDTQQZCYLEPQ-HNNXBMFYSA-N 1 3 331.287 3.539 20 0 EHADHO C[C@@H](COCc1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001167442284 1020350807 /nfs/dbraw/zinc/35/08/07/1020350807.db2.gz CCGJQACBBKLPQG-TZIWHRDSSA-N 1 3 330.516 3.790 20 0 EHADHO Cc1ccc([C@H](C)[N@@H+](C)CCCN2CCN(C(C)C)CC2)c(C)c1 ZINC000501075113 1020695621 /nfs/dbraw/zinc/69/56/21/1020695621.db2.gz AJRXMWAXQVFUCP-FQEVSTJZSA-N 1 3 331.548 3.712 20 0 EHADHO Cc1ccc([C@H](C)[N@H+](C)CCCN2CCN(C(C)C)CC2)c(C)c1 ZINC000501075113 1020695626 /nfs/dbraw/zinc/69/56/26/1020695626.db2.gz AJRXMWAXQVFUCP-FQEVSTJZSA-N 1 3 331.548 3.712 20 0 EHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000501111104 1020712075 /nfs/dbraw/zinc/71/20/75/1020712075.db2.gz LUIBELNUJDQZHR-JOCHJYFZSA-N 1 3 343.559 3.802 20 0 EHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000501111104 1020712082 /nfs/dbraw/zinc/71/20/82/1020712082.db2.gz LUIBELNUJDQZHR-JOCHJYFZSA-N 1 3 343.559 3.802 20 0 EHADHO C[C@H](CCc1ccccc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682402 1021163387 /nfs/dbraw/zinc/16/33/87/1021163387.db2.gz CTCKVQOXAHPOBA-LJQANCHMSA-N 1 3 337.511 3.905 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000507402474 1021253390 /nfs/dbraw/zinc/25/33/90/1021253390.db2.gz MLYIWAMAPRMHOP-KBMXLJTQSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507402474 1021253403 /nfs/dbraw/zinc/25/34/03/1021253403.db2.gz MLYIWAMAPRMHOP-KBMXLJTQSA-N 1 3 326.406 3.853 20 0 EHADHO CC(C)C[C@@H](CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000684359951 1021274914 /nfs/dbraw/zinc/27/49/14/1021274914.db2.gz LWNJVIALBIGRAO-VXKWHMMOSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)C[C@@H](CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000684359951 1021274927 /nfs/dbraw/zinc/27/49/27/1021274927.db2.gz LWNJVIALBIGRAO-VXKWHMMOSA-N 1 3 343.559 3.528 20 0 EHADHO CCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000507483216 1021301040 /nfs/dbraw/zinc/30/10/40/1021301040.db2.gz GXXBKAGWTVAYKP-NJDAHSKKSA-N 1 3 342.527 3.693 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3nc(C)sc3c2)C1 ZINC000426417920 1021534850 /nfs/dbraw/zinc/53/48/50/1021534850.db2.gz UZHJPJQWCLSTSN-KRWDZBQOSA-N 1 3 347.528 3.537 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414903966 1021792022 /nfs/dbraw/zinc/79/20/22/1021792022.db2.gz JEVOPMILOIPGNA-JXFKEZNVSA-N 1 3 331.504 3.506 20 0 EHADHO CC1CC[NH+](Cc2cccc(CN[C@@H]3COC4(CCC4)C3)c2)CC1 ZINC000657870467 1033004010 /nfs/dbraw/zinc/00/40/10/1033004010.db2.gz DOLRNBAUBMOKMJ-FQEVSTJZSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166561 1022085006 /nfs/dbraw/zinc/08/50/06/1022085006.db2.gz JDWLUBGHTIPIMQ-GJZGRUSLSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166561 1022085027 /nfs/dbraw/zinc/08/50/27/1022085027.db2.gz JDWLUBGHTIPIMQ-GJZGRUSLSA-N 1 3 344.421 3.857 20 0 EHADHO Fc1ccc(Br)cc1CN(CC1CC[NH2+]CC1)C1CC1 ZINC000094021351 1022087474 /nfs/dbraw/zinc/08/74/74/1022087474.db2.gz FYYJRSGNTZHHJD-UHFFFAOYSA-N 1 3 341.268 3.552 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@@H](C)O1 ZINC000438180145 1022445005 /nfs/dbraw/zinc/44/50/05/1022445005.db2.gz SQHMXRNZFVAKKY-CZAYHTPWSA-N 1 3 344.543 3.976 20 0 EHADHO COc1ccc(F)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000550174125 1022646351 /nfs/dbraw/zinc/64/63/51/1022646351.db2.gz CAPJPHBIKIYSDD-QFBILLFUSA-N 1 3 342.458 3.977 20 0 EHADHO CN(Cc1cc(Br)ccc1Cl)C1CCC([NH3+])CC1 ZINC000226429207 1033073091 /nfs/dbraw/zinc/07/30/91/1033073091.db2.gz PQIQKTIUXBCIIW-UHFFFAOYSA-N 1 3 331.685 3.804 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548392754 1022807568 /nfs/dbraw/zinc/80/75/68/1022807568.db2.gz SDFYLVLJVXXYQS-UHFFFAOYSA-N 1 3 331.504 3.650 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548392754 1022807585 /nfs/dbraw/zinc/80/75/85/1022807585.db2.gz SDFYLVLJVXXYQS-UHFFFAOYSA-N 1 3 331.504 3.650 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414963516 1023101312 /nfs/dbraw/zinc/10/13/12/1023101312.db2.gz KXDLNFIOKVFCRL-ILWGZMRPSA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414963516 1023101316 /nfs/dbraw/zinc/10/13/16/1023101316.db2.gz KXDLNFIOKVFCRL-ILWGZMRPSA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000414963516 1023101322 /nfs/dbraw/zinc/10/13/22/1023101322.db2.gz KXDLNFIOKVFCRL-ILWGZMRPSA-N 1 3 335.495 3.577 20 0 EHADHO CCC1(CNCc2nc(C)c(C)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000518219079 1023138389 /nfs/dbraw/zinc/13/83/89/1023138389.db2.gz VXENLCSKUVBYON-UHFFFAOYSA-N 1 3 340.515 3.809 20 0 EHADHO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483045 1023471993 /nfs/dbraw/zinc/47/19/93/1023471993.db2.gz PAPPYZZTRGAELU-WIYYLYMNSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H](NCc1cccc(N(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483045 1023471994 /nfs/dbraw/zinc/47/19/94/1023471994.db2.gz PAPPYZZTRGAELU-WIYYLYMNSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H](NCc1cccc(N(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483045 1023471999 /nfs/dbraw/zinc/47/19/99/1023471999.db2.gz PAPPYZZTRGAELU-WIYYLYMNSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H](CCN1CC[C@@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044279 1024253332 /nfs/dbraw/zinc/25/33/32/1024253332.db2.gz GUCGIHNOWDZZMX-CTNGQTDRSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@H](CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044279 1024253344 /nfs/dbraw/zinc/25/33/44/1024253344.db2.gz GUCGIHNOWDZZMX-CTNGQTDRSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@H](CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044279 1024253356 /nfs/dbraw/zinc/25/33/56/1024253356.db2.gz GUCGIHNOWDZZMX-CTNGQTDRSA-N 1 3 330.516 3.790 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000327119408 1024384425 /nfs/dbraw/zinc/38/44/25/1024384425.db2.gz HMJXXNOKLORKOF-UHFFFAOYSA-N 1 3 340.467 3.809 20 0 EHADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166378 1024481317 /nfs/dbraw/zinc/48/13/17/1024481317.db2.gz IWHPILVLDHAONU-FPOVZHCZSA-N 1 3 335.495 3.992 20 0 EHADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166378 1024481318 /nfs/dbraw/zinc/48/13/18/1024481318.db2.gz IWHPILVLDHAONU-FPOVZHCZSA-N 1 3 335.495 3.992 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156780525 1024578305 /nfs/dbraw/zinc/57/83/05/1024578305.db2.gz YJHYKMBSOFLNFK-SFHVURJKSA-N 1 3 347.547 3.542 20 0 EHADHO Cc1cc([C@H](NCC2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000346561119 1024863069 /nfs/dbraw/zinc/86/30/69/1024863069.db2.gz NPZPLZNNJIBNSY-FQEVSTJZSA-N 1 3 327.447 3.550 20 0 EHADHO CSc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000514975330 1024936568 /nfs/dbraw/zinc/93/65/68/1024936568.db2.gz NZVUGWCBJOSEPM-UHFFFAOYSA-N 1 3 336.526 3.700 20 0 EHADHO O=c1[nH]c2cccc(CN3CCC(CCC[NH+]4CCCC4)CC3)c2o1 ZINC000892145880 1024998474 /nfs/dbraw/zinc/99/84/74/1024998474.db2.gz UHNSVTSXCYWGCG-UHFFFAOYSA-N 1 3 343.471 3.621 20 0 EHADHO C[NH2+]CCC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000346695135 1025019049 /nfs/dbraw/zinc/01/90/49/1025019049.db2.gz YLYVAOVEDISJAF-UHFFFAOYSA-N 1 3 327.447 3.709 20 0 EHADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CNC[C@@H](C)C[NH3+] ZINC000414872283 1025062768 /nfs/dbraw/zinc/06/27/68/1025062768.db2.gz FSBDKPWYWPBRMH-INIZCTEOSA-N 1 3 334.467 3.532 20 0 EHADHO C[C@H]1CC(NCCOC(F)(F)F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012545 1025121866 /nfs/dbraw/zinc/12/18/66/1025121866.db2.gz BWVIFFPMGKAPON-KBPBESRZSA-N 1 3 330.394 3.554 20 0 EHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCc4ccccc4F)c3)C[C@@H]12 ZINC000346856815 1025245427 /nfs/dbraw/zinc/24/54/27/1025245427.db2.gz PPWAOUQNEJHQBX-OZOXKJRCSA-N 1 3 340.442 3.574 20 0 EHADHO C[C@H](CC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)N1CCCCC1 ZINC000346856181 1025245566 /nfs/dbraw/zinc/24/55/66/1025245566.db2.gz DUODZOCWOWHCGZ-QZTJIDSGSA-N 1 3 326.488 3.787 20 0 EHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCc4ccccc4F)c3)C[C@H]12 ZINC000346856810 1025246385 /nfs/dbraw/zinc/24/63/85/1025246385.db2.gz PPWAOUQNEJHQBX-NBHGPNQESA-N 1 3 340.442 3.574 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)cc(Cl)c1 ZINC000442873662 1025545456 /nfs/dbraw/zinc/54/54/56/1025545456.db2.gz KXOZNLSJXLNMHP-ZDUSSCGKSA-N 1 3 344.330 3.670 20 0 EHADHO CCCCN1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168053303 1026037736 /nfs/dbraw/zinc/03/77/36/1026037736.db2.gz NEDYUHZVFUXYCB-WOJBJXKFSA-N 1 3 343.559 3.846 20 0 EHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000530701282 1026229066 /nfs/dbraw/zinc/22/90/66/1026229066.db2.gz CECNZFWJODJABK-IAGOWNOFSA-N 1 3 334.479 3.537 20 0 EHADHO CC(C)[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716489 1026656814 /nfs/dbraw/zinc/65/68/14/1026656814.db2.gz UIIYCJNFYYYSGC-LPHOPBHVSA-N 1 3 336.907 3.880 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378469 1026865375 /nfs/dbraw/zinc/86/53/75/1026865375.db2.gz NKYIKAYLFVPNFW-ZBFHGGJFSA-N 1 3 344.421 3.932 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378469 1026865387 /nfs/dbraw/zinc/86/53/87/1026865387.db2.gz NKYIKAYLFVPNFW-ZBFHGGJFSA-N 1 3 344.421 3.932 20 0 EHADHO CCCN1CCC([NH2+]Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000061016523 1027279165 /nfs/dbraw/zinc/27/91/65/1027279165.db2.gz WHHKTLWKQWRZFF-UHFFFAOYSA-N 1 3 340.895 3.711 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000657561928 1027298310 /nfs/dbraw/zinc/29/83/10/1027298310.db2.gz DQRMRRMEAVZABP-RLLQIKCJSA-N 1 3 329.532 3.502 20 0 EHADHO CCN(Cc1cccc(Br)c1C)[C@H]1CCC[NH2+]CC1 ZINC000420301260 1027450427 /nfs/dbraw/zinc/45/04/27/1027450427.db2.gz ALBACMUJQHNSEZ-HNNXBMFYSA-N 1 3 325.294 3.722 20 0 EHADHO Clc1ccc(-c2c[nH]c([C@@H]3CCCN3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420315569 1027463180 /nfs/dbraw/zinc/46/31/80/1027463180.db2.gz KXJVTETZQJASQA-KSSFIOAISA-N 1 3 344.890 3.867 20 0 EHADHO C[C@H](c1cccc(Br)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321910 1027469504 /nfs/dbraw/zinc/46/95/04/1027469504.db2.gz VZXFQXCRGPBZHO-CJNGLKHVSA-N 1 3 337.305 3.832 20 0 EHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1Cl ZINC000657594834 1027566486 /nfs/dbraw/zinc/56/64/86/1027566486.db2.gz DAZJDZLHBLMSPE-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1Cl ZINC000657594834 1027566494 /nfs/dbraw/zinc/56/64/94/1027566494.db2.gz DAZJDZLHBLMSPE-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO CCc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657612784 1027634952 /nfs/dbraw/zinc/63/49/52/1027634952.db2.gz RQLZFODBWRNHOR-UHFFFAOYSA-N 1 3 329.513 3.707 20 0 EHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422736162 1027880372 /nfs/dbraw/zinc/88/03/72/1027880372.db2.gz XOKCILYWYNAWDC-KURKYZTESA-N 1 3 335.561 3.785 20 0 EHADHO C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422744955 1027910645 /nfs/dbraw/zinc/91/06/45/1027910645.db2.gz WVTPSVTXHHEODF-UWJYYQICSA-N 1 3 338.499 3.618 20 0 EHADHO CCN(CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000459360182 1027911453 /nfs/dbraw/zinc/91/14/53/1027911453.db2.gz FKKHIRJOGYCMQW-FQEVSTJZSA-N 1 3 349.950 3.939 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c2ccccc21 ZINC000422766075 1027946338 /nfs/dbraw/zinc/94/63/38/1027946338.db2.gz RKYUATVTJSIADC-YSGRDPCXSA-N 1 3 325.431 3.529 20 0 EHADHO COc1cccc([C@@H](N[C@@H](C)CCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422834517 1027975918 /nfs/dbraw/zinc/97/59/18/1027975918.db2.gz ZSWKTGLYFGXGPK-VBKZILBWSA-N 1 3 346.446 3.649 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)N2CCCC2)cc1 ZINC000422832763 1027976029 /nfs/dbraw/zinc/97/60/29/1027976029.db2.gz VOTWHGLVLDUEAT-BDTNDASRSA-N 1 3 335.495 3.866 20 0 EHADHO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+]CC[C@@H]3C)s2)cc1 ZINC000422817901 1027983577 /nfs/dbraw/zinc/98/35/77/1027983577.db2.gz FEMAAFFMPUMRDP-KSSFIOAISA-N 1 3 330.497 3.901 20 0 EHADHO COc1cc(C)c([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422852286 1027987461 /nfs/dbraw/zinc/98/74/61/1027987461.db2.gz AHRYLAUTGGPVDG-UKRRQHHQSA-N 1 3 343.471 3.586 20 0 EHADHO CC[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422855263 1027991847 /nfs/dbraw/zinc/99/18/47/1027991847.db2.gz VGRBLIKEIJIFLV-XFQXTVEOSA-N 1 3 330.447 3.531 20 0 EHADHO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422899080 1028035114 /nfs/dbraw/zinc/03/51/14/1028035114.db2.gz NPXTWBZUSGVCID-HZPDHXFCSA-N 1 3 327.472 3.584 20 0 EHADHO Clc1cccc(CN2CCCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422902915 1028037338 /nfs/dbraw/zinc/03/73/38/1028037338.db2.gz DYYKGSSYHIERQJ-XNMUZJSGSA-N 1 3 347.934 3.567 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913323 1028044961 /nfs/dbraw/zinc/04/49/61/1028044961.db2.gz YFYGSAIYZOJIPK-UZLBHIALSA-N 1 3 344.547 3.544 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913323 1028044985 /nfs/dbraw/zinc/04/49/85/1028044985.db2.gz YFYGSAIYZOJIPK-UZLBHIALSA-N 1 3 344.547 3.544 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000422915270 1028047029 /nfs/dbraw/zinc/04/70/29/1028047029.db2.gz APEBZEJCWWFWCO-CHWSQXEVSA-N 1 3 333.863 3.620 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000422915273 1028051103 /nfs/dbraw/zinc/05/11/03/1028051103.db2.gz APEBZEJCWWFWCO-STQMWFEESA-N 1 3 333.863 3.620 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1OC ZINC000502268873 1028064508 /nfs/dbraw/zinc/06/45/08/1028064508.db2.gz NPKAYFSQRVFUBM-ROUUACIJSA-N 1 3 348.531 3.797 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Sc1ccc(Br)cc1 ZINC000422959691 1028097868 /nfs/dbraw/zinc/09/78/68/1028097868.db2.gz TYQKXTONSWPWMU-JMSVASOKSA-N 1 3 343.334 3.647 20 0 EHADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000422959691 1028097884 /nfs/dbraw/zinc/09/78/84/1028097884.db2.gz TYQKXTONSWPWMU-JMSVASOKSA-N 1 3 343.334 3.647 20 0 EHADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000422997358 1028113324 /nfs/dbraw/zinc/11/33/24/1028113324.db2.gz NUNOBXKGXNVSIJ-BEVDRBHNSA-N 1 3 342.508 3.680 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423039116 1028143633 /nfs/dbraw/zinc/14/36/33/1028143633.db2.gz PTRDQEIAUIMGSE-ROOHIHILSA-N 1 3 343.446 3.559 20 0 EHADHO CC[C@H](CC(F)(F)F)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039751 1028145815 /nfs/dbraw/zinc/14/58/15/1028145815.db2.gz RLBILDGVQBJBHN-IVMMDQJWSA-N 1 3 328.378 3.563 20 0 EHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423060852 1028154000 /nfs/dbraw/zinc/15/40/00/1028154000.db2.gz PJWAUHXLTUWRPM-BBRMVZONSA-N 1 3 326.406 3.844 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079855 1028168642 /nfs/dbraw/zinc/16/86/42/1028168642.db2.gz RGOPFFCGXAPZQR-HZMBPMFUSA-N 1 3 326.271 3.734 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000423093524 1028177296 /nfs/dbraw/zinc/17/72/96/1028177296.db2.gz HWMKHFYLAAYNPP-PWIZWCRZSA-N 1 3 333.520 3.873 20 0 EHADHO COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000423120541 1028189029 /nfs/dbraw/zinc/18/90/29/1028189029.db2.gz GZOININUIDNTHT-KGLIPLIRSA-N 1 3 343.471 3.586 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104313 1028196263 /nfs/dbraw/zinc/19/62/63/1028196263.db2.gz YGGGFYGOUDMWEI-PQTDTLSBSA-N 1 3 330.422 3.759 20 0 EHADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC000246311797 1028203262 /nfs/dbraw/zinc/20/32/62/1028203262.db2.gz DUNDYKFPCXKHPF-BHDDXSALSA-N 1 3 342.527 3.812 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCCC[NH2+]C)nc1 ZINC000423200077 1028269206 /nfs/dbraw/zinc/26/92/06/1028269206.db2.gz LPSLFMVMDIBJLY-FQEVSTJZSA-N 1 3 345.918 3.650 20 0 EHADHO C[C@H](N[C@H]1C[C@@H](C)c2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC000423214918 1028283367 /nfs/dbraw/zinc/28/33/67/1028283367.db2.gz MAAJPIOUYBOIMC-DVZHBHJUSA-N 1 3 337.305 3.975 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423291444 1028327944 /nfs/dbraw/zinc/32/79/44/1028327944.db2.gz IICLEOWLDYYDNC-ZIAGYGMSSA-N 1 3 337.467 3.787 20 0 EHADHO OC1(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000421378769 1028337679 /nfs/dbraw/zinc/33/76/79/1028337679.db2.gz TUHWQOQFYXAKPN-NJDAHSKKSA-N 1 3 342.527 3.572 20 0 EHADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423277001 1028338835 /nfs/dbraw/zinc/33/88/35/1028338835.db2.gz PGTILWSXICCGJG-UONOGXRCSA-N 1 3 333.476 3.990 20 0 EHADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423299332 1028356063 /nfs/dbraw/zinc/35/60/63/1028356063.db2.gz PTSIQGLBLNSUGX-DTWKUNHWSA-N 1 3 328.300 3.970 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCN1 ZINC000423390105 1028405566 /nfs/dbraw/zinc/40/55/66/1028405566.db2.gz VSSGYCBHJCJRKR-PVUWLOKVSA-N 1 3 337.305 3.500 20 0 EHADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423444843 1028432080 /nfs/dbraw/zinc/43/20/80/1028432080.db2.gz RHADONNHJCRVKE-ISTRZQFTSA-N 1 3 345.487 3.988 20 0 EHADHO COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195136048 1028584850 /nfs/dbraw/zinc/58/48/50/1028584850.db2.gz XOVBXAJVWRXETL-RDJZCZTQSA-N 1 3 330.497 3.929 20 0 EHADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)[C@H](C)C1 ZINC000246943985 1028714118 /nfs/dbraw/zinc/71/41/18/1028714118.db2.gz HUYWRCKXSOTXNA-BVGQSLNGSA-N 1 3 338.442 3.985 20 0 EHADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)[C@H](C)C1 ZINC000246943985 1028714132 /nfs/dbraw/zinc/71/41/32/1028714132.db2.gz HUYWRCKXSOTXNA-BVGQSLNGSA-N 1 3 338.442 3.985 20 0 EHADHO Fc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778880 1028896900 /nfs/dbraw/zinc/89/69/00/1028896900.db2.gz JMRMJXJHOHNNHX-KBPBESRZSA-N 1 3 330.369 3.666 20 0 EHADHO c1sc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781034 1028944537 /nfs/dbraw/zinc/94/45/37/1028944537.db2.gz MJQKNWWUKGIDSH-DLBZAZTESA-N 1 3 327.497 3.632 20 0 EHADHO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnn1C ZINC000249039708 1028980727 /nfs/dbraw/zinc/98/07/27/1028980727.db2.gz UJYZFGNUOLOEJG-XLNTUCKNSA-N 1 3 338.499 3.575 20 0 EHADHO C[C@@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)CN(C)C ZINC000422080782 1029050221 /nfs/dbraw/zinc/05/02/21/1029050221.db2.gz BGQMESWWVGXTGS-KRWDZBQOSA-N 1 3 340.515 3.953 20 0 EHADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000161640108 1029256268 /nfs/dbraw/zinc/25/62/68/1029256268.db2.gz IEQXKVUPTKTIJR-NQIIRXRSSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000161668696 1029262306 /nfs/dbraw/zinc/26/23/06/1029262306.db2.gz GEOSMBRPGVGTSJ-QZTJIDSGSA-N 1 3 325.500 3.793 20 0 EHADHO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272235462 1029375175 /nfs/dbraw/zinc/37/51/75/1029375175.db2.gz VNJOISGKLXNSKK-PGRDOPGGSA-N 1 3 348.490 3.963 20 0 EHADHO O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000897533643 1029403964 /nfs/dbraw/zinc/40/39/64/1029403964.db2.gz JJSKRLTVYDPJLI-AHJNKEMKSA-N 1 3 342.527 3.570 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414836244 1029506374 /nfs/dbraw/zinc/50/63/74/1029506374.db2.gz FNONCLGWKKQLRS-INIZCTEOSA-N 1 3 331.504 3.778 20 0 EHADHO CCSc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000533786066 1029828659 /nfs/dbraw/zinc/82/86/59/1029828659.db2.gz CVCWMDCVPPTUKE-IAGOWNOFSA-N 1 3 348.556 3.950 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000120025664 1029909651 /nfs/dbraw/zinc/90/96/51/1029909651.db2.gz UVGXXSIOOPKMMD-OAHLLOKOSA-N 1 3 345.531 3.919 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481920949 1030122893 /nfs/dbraw/zinc/12/28/93/1030122893.db2.gz WGMCGJVUVNRFKC-XOKHGSTOSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000481920949 1030122905 /nfs/dbraw/zinc/12/29/05/1030122905.db2.gz WGMCGJVUVNRFKC-XOKHGSTOSA-N 1 3 326.406 3.853 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)s1 ZINC000090522561 1030136012 /nfs/dbraw/zinc/13/60/12/1030136012.db2.gz ZQFUPPMOYVYNBU-KYNGSXCRSA-N 1 3 336.545 3.783 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453381865 1030164163 /nfs/dbraw/zinc/16/41/63/1030164163.db2.gz RJDPYJBYSXJUQO-VQTJNVASSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453381865 1030164176 /nfs/dbraw/zinc/16/41/76/1030164176.db2.gz RJDPYJBYSXJUQO-VQTJNVASSA-N 1 3 334.454 3.846 20 0 EHADHO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000453444254 1030264697 /nfs/dbraw/zinc/26/46/97/1030264697.db2.gz XVXGIADZIAUPTK-MXEMCNAFSA-N 1 3 342.527 3.692 20 0 EHADHO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583776125 1030704567 /nfs/dbraw/zinc/70/45/67/1030704567.db2.gz QYNWENUSGLVBII-QKNQBKEWSA-N 1 3 331.548 3.750 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881975 1030756643 /nfs/dbraw/zinc/75/66/43/1030756643.db2.gz GAJBLMNFSLYYBN-LEWJYISDSA-N 1 3 344.543 3.939 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000650757350 1030787867 /nfs/dbraw/zinc/78/78/67/1030787867.db2.gz VDVCSHAKUZOOQL-NRFANRHFSA-N 1 3 336.479 3.898 20 0 EHADHO Cc1ccc2[nH]c([C@H]3CCCN(CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000162143359 1030941567 /nfs/dbraw/zinc/94/15/67/1030941567.db2.gz QVARKVPNFWPWBJ-SFHVURJKSA-N 1 3 340.515 3.927 20 0 EHADHO Cc1ccc2nc([C@H]3CCCN(CCC[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000162143359 1030941581 /nfs/dbraw/zinc/94/15/81/1030941581.db2.gz QVARKVPNFWPWBJ-SFHVURJKSA-N 1 3 340.515 3.927 20 0 EHADHO C[NH+](C)CCCC1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000537683307 1030968917 /nfs/dbraw/zinc/96/89/17/1030968917.db2.gz IJJHQSKIXMJRBI-UHFFFAOYSA-N 1 3 342.886 3.912 20 0 EHADHO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527630797 1031058590 /nfs/dbraw/zinc/05/85/90/1031058590.db2.gz HNQZVPKFSMCFQD-UHFFFAOYSA-N 1 3 330.394 3.676 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762611 1031186719 /nfs/dbraw/zinc/18/67/19/1031186719.db2.gz KUNRVOQYYCAAIK-UTKZUKDTSA-N 1 3 348.494 3.716 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762611 1031186726 /nfs/dbraw/zinc/18/67/26/1031186726.db2.gz KUNRVOQYYCAAIK-UTKZUKDTSA-N 1 3 348.494 3.716 20 0 EHADHO COc1ccc(-c2csc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000484489464 1031610835 /nfs/dbraw/zinc/61/08/35/1031610835.db2.gz WQPMOPWWWSODFZ-IFXJQAMLSA-N 1 3 330.497 3.854 20 0 EHADHO COc1ccc(-c2csc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000484489464 1031610847 /nfs/dbraw/zinc/61/08/47/1031610847.db2.gz WQPMOPWWWSODFZ-IFXJQAMLSA-N 1 3 330.497 3.854 20 0 EHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC)cc1 ZINC000178036543 1031611964 /nfs/dbraw/zinc/61/19/64/1031611964.db2.gz QHDQBBPSPXRANX-MBOZVWFJSA-N 1 3 334.504 3.625 20 0 EHADHO CN(Cc1ccc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685458018 1033347056 /nfs/dbraw/zinc/34/70/56/1033347056.db2.gz XRVSLBVVSZOFMG-QGZVFWFLSA-N 1 3 349.588 3.646 20 0 EHADHO CN(Cc1ccc(C(C)(C)C)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685458018 1033347065 /nfs/dbraw/zinc/34/70/65/1033347065.db2.gz XRVSLBVVSZOFMG-QGZVFWFLSA-N 1 3 349.588 3.646 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001168291353 1033548639 /nfs/dbraw/zinc/54/86/39/1033548639.db2.gz KEOFQKMKTVZWGQ-NRFANRHFSA-N 1 3 342.527 3.891 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001168291353 1033548655 /nfs/dbraw/zinc/54/86/55/1033548655.db2.gz KEOFQKMKTVZWGQ-NRFANRHFSA-N 1 3 342.527 3.891 20 0 EHADHO COc1ccc2c(c1)C[C@@H](N(C)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168291353 1033548675 /nfs/dbraw/zinc/54/86/75/1033548675.db2.gz KEOFQKMKTVZWGQ-NRFANRHFSA-N 1 3 342.527 3.891 20 0 EHADHO CCC(CC)[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)N(C)C ZINC000550608418 1033725005 /nfs/dbraw/zinc/72/50/05/1033725005.db2.gz GOLITZYYSJGJAS-ACRUOGEOSA-N 1 3 331.548 3.778 20 0 EHADHO FCC1(CF)CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000657970488 1033769592 /nfs/dbraw/zinc/76/95/92/1033769592.db2.gz DFSCFMBHYFJGNX-MISYRCLQSA-N 1 3 348.481 3.965 20 0 EHADHO COc1ccccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167433 1034032768 /nfs/dbraw/zinc/03/27/68/1034032768.db2.gz OZOYPJLKRGTGMR-QGZVFWFLSA-N 1 3 339.483 3.653 20 0 EHADHO Cc1ccc([C@H](CNC2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1 ZINC000118949947 1034061586 /nfs/dbraw/zinc/06/15/86/1034061586.db2.gz MQLBDFUNYWAEFH-QFIPXVFZSA-N 1 3 343.559 3.984 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450342695 1034148067 /nfs/dbraw/zinc/14/80/67/1034148067.db2.gz TXYFULZCTDHKQN-SOLBZPMBSA-N 1 3 344.490 3.633 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329366 1034404216 /nfs/dbraw/zinc/40/42/16/1034404216.db2.gz NOXXCYSXEINTKG-KGLIPLIRSA-N 1 3 340.870 3.631 20 0 EHADHO COc1cc2c(cc1CN1CCC(C[N@H+](C)C(C)C)CC1)O[C@H](C)C2 ZINC000534346949 1034418785 /nfs/dbraw/zinc/41/87/85/1034418785.db2.gz CKKSFQRUOVMIDO-MRXNPFEDSA-N 1 3 346.515 3.571 20 0 EHADHO COc1cc2c(cc1CN1CCC(C[N@@H+](C)C(C)C)CC1)O[C@H](C)C2 ZINC000534346949 1034418792 /nfs/dbraw/zinc/41/87/92/1034418792.db2.gz CKKSFQRUOVMIDO-MRXNPFEDSA-N 1 3 346.515 3.571 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062157 1035423053 /nfs/dbraw/zinc/42/30/53/1035423053.db2.gz KZAFWGNURINNGY-AZUAARDMSA-N 1 3 349.950 3.593 20 0 EHADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000571504559 1035510512 /nfs/dbraw/zinc/51/05/12/1035510512.db2.gz AHXWTVPUOBQSMS-GFCCVEGCSA-N 1 3 345.409 3.530 20 0 EHADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696895 1035594177 /nfs/dbraw/zinc/59/41/77/1035594177.db2.gz YQDHBNXIVCBBGX-ZFWWWQNUSA-N 1 3 330.394 3.676 20 0 EHADHO C[C@@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492351896 1035653841 /nfs/dbraw/zinc/65/38/41/1035653841.db2.gz NUKOEWWLIXFKNX-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492351896 1035653850 /nfs/dbraw/zinc/65/38/50/1035653850.db2.gz NUKOEWWLIXFKNX-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492351896 1035653868 /nfs/dbraw/zinc/65/38/68/1035653868.db2.gz NUKOEWWLIXFKNX-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000540976174 1035862138 /nfs/dbraw/zinc/86/21/38/1035862138.db2.gz JIWKBWBAGBNZCR-VAMGGRTRSA-N 1 3 330.516 3.692 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174811 1035891284 /nfs/dbraw/zinc/89/12/84/1035891284.db2.gz GWSRWSNDQZGEIX-OXJNMPFZSA-N 1 3 327.447 3.632 20 0 EHADHO C[N@H+]1CCC[C@@H](CCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174811 1035891305 /nfs/dbraw/zinc/89/13/05/1035891305.db2.gz GWSRWSNDQZGEIX-OXJNMPFZSA-N 1 3 327.447 3.632 20 0 EHADHO C[C@H](c1ccccc1F)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709367 1035981115 /nfs/dbraw/zinc/98/11/15/1035981115.db2.gz AIAIUNYRZAIGDH-BRWVUGGUSA-N 1 3 334.479 3.708 20 0 EHADHO Cc1ccc(C[N@@H+](CCCN2CCN(C(C)C)CC2)C(C)C)s1 ZINC000191460856 1036389273 /nfs/dbraw/zinc/38/92/73/1036389273.db2.gz KPTMFVCAMRZPOZ-UHFFFAOYSA-N 1 3 337.577 3.683 20 0 EHADHO Cc1ccc(C[N@H+](CCCN2CCN(C(C)C)CC2)C(C)C)s1 ZINC000191460856 1036389288 /nfs/dbraw/zinc/38/92/88/1036389288.db2.gz KPTMFVCAMRZPOZ-UHFFFAOYSA-N 1 3 337.577 3.683 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CC1(F)F ZINC000666229572 1036520296 /nfs/dbraw/zinc/52/02/96/1036520296.db2.gz RLULLAXBQKLBHS-YCVVXREPSA-N 1 3 334.454 3.920 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CC3 ZINC000493275601 1037192823 /nfs/dbraw/zinc/19/28/23/1037192823.db2.gz ACQKWPSDWYSRKX-ZACQAIPSSA-N 1 3 325.500 3.796 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463148771 1037820157 /nfs/dbraw/zinc/82/01/57/1037820157.db2.gz HKGZUWUYHASVHF-HMXCVIKNSA-N 1 3 329.532 3.504 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494165326 1037895469 /nfs/dbraw/zinc/89/54/69/1037895469.db2.gz ULBBJBCCKFZHEB-CYBMUJFWSA-N 1 3 345.712 3.924 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000173327262 1038035885 /nfs/dbraw/zinc/03/58/85/1038035885.db2.gz NNAFLKPTNTXZEA-LJQANCHMSA-N 1 3 337.511 3.675 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188141940 1038111617 /nfs/dbraw/zinc/11/16/17/1038111617.db2.gz JOPPVYCZLVMSIN-HOCLYGCPSA-N 1 3 339.321 3.702 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000540593237 1038123617 /nfs/dbraw/zinc/12/36/17/1038123617.db2.gz AVZQEWBBRQDKTB-OAHLLOKOSA-N 1 3 338.451 3.693 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000538721306 1038489976 /nfs/dbraw/zinc/48/99/76/1038489976.db2.gz BKDBLGSJZCHKLM-GOSISDBHSA-N 1 3 340.515 3.811 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000538721306 1038489980 /nfs/dbraw/zinc/48/99/80/1038489980.db2.gz BKDBLGSJZCHKLM-GOSISDBHSA-N 1 3 340.515 3.811 20 0 EHADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000461888616 1038650712 /nfs/dbraw/zinc/65/07/12/1038650712.db2.gz ZXQWWGGARVFAKQ-QZTJIDSGSA-N 1 3 343.515 3.730 20 0 EHADHO Cc1ccc(CC[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539073007 1038670160 /nfs/dbraw/zinc/67/01/60/1038670160.db2.gz GYGABILPQRUXKN-AQNXPRMDSA-N 1 3 332.532 3.795 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000539201016 1038725590 /nfs/dbraw/zinc/72/55/90/1038725590.db2.gz KCOYLCDORXPENV-FQEVSTJZSA-N 1 3 334.479 3.676 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552048043 1038917309 /nfs/dbraw/zinc/91/73/09/1038917309.db2.gz FLJBKJBOVOXOFA-KSEOMHKRSA-N 1 3 337.511 3.806 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552048043 1038917320 /nfs/dbraw/zinc/91/73/20/1038917320.db2.gz FLJBKJBOVOXOFA-KSEOMHKRSA-N 1 3 337.511 3.806 20 0 EHADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919198 1039047128 /nfs/dbraw/zinc/04/71/28/1039047128.db2.gz KHEXJCSYSVWHRQ-SFHVURJKSA-N 1 3 348.531 3.737 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)c1OC ZINC000552234887 1039098899 /nfs/dbraw/zinc/09/88/99/1039098899.db2.gz WEBWDQLMLWFUCT-WBVHZDCISA-N 1 3 334.504 3.785 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)c1OC ZINC000552234885 1039100484 /nfs/dbraw/zinc/10/04/84/1039100484.db2.gz WEBWDQLMLWFUCT-NVXWUHKLSA-N 1 3 334.504 3.785 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000480094122 1039145606 /nfs/dbraw/zinc/14/56/06/1039145606.db2.gz OTXYEFAGPBFJFA-FPOVZHCZSA-N 1 3 343.559 3.751 20 0 EHADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000552336377 1039210184 /nfs/dbraw/zinc/21/01/84/1039210184.db2.gz BDIHIQJXKCETPB-GIVPXCGWSA-N 1 3 329.532 3.504 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000554372533 1039285527 /nfs/dbraw/zinc/28/55/27/1039285527.db2.gz NNCGPGONIMCPFU-QTMHVTGLSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554372533 1039285545 /nfs/dbraw/zinc/28/55/45/1039285545.db2.gz NNCGPGONIMCPFU-QTMHVTGLSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000554372533 1039285555 /nfs/dbraw/zinc/28/55/55/1039285555.db2.gz NNCGPGONIMCPFU-QTMHVTGLSA-N 1 3 334.454 3.920 20 0 EHADHO CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159847 1039330590 /nfs/dbraw/zinc/33/05/90/1039330590.db2.gz UXSPXRONLAWMCO-VQTJNVASSA-N 1 3 336.483 3.943 20 0 EHADHO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159847 1039330604 /nfs/dbraw/zinc/33/06/04/1039330604.db2.gz UXSPXRONLAWMCO-VQTJNVASSA-N 1 3 336.483 3.943 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000479252043 1040072902 /nfs/dbraw/zinc/07/29/02/1040072902.db2.gz SKAOAXVADAQUSL-ZRGWGRIASA-N 1 3 336.907 3.806 20 0 EHADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479441972 1040234647 /nfs/dbraw/zinc/23/46/47/1040234647.db2.gz BSJZRDBZFOREPR-CBQOVEMMSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441972 1040234668 /nfs/dbraw/zinc/23/46/68/1040234668.db2.gz BSJZRDBZFOREPR-CBQOVEMMSA-N 1 3 338.495 3.874 20 0 EHADHO COc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479463039 1040263521 /nfs/dbraw/zinc/26/35/21/1040263521.db2.gz HUYMYWWJNPKOCO-NQIIRXRSSA-N 1 3 336.479 3.794 20 0 EHADHO COc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463039 1040263541 /nfs/dbraw/zinc/26/35/41/1040263541.db2.gz HUYMYWWJNPKOCO-NQIIRXRSSA-N 1 3 336.479 3.794 20 0 EHADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465776 1040266806 /nfs/dbraw/zinc/26/68/06/1040266806.db2.gz PUAGHQDSKBMMAO-PKOBYXMFSA-N 1 3 336.479 3.890 20 0 EHADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465776 1040266824 /nfs/dbraw/zinc/26/68/24/1040266824.db2.gz PUAGHQDSKBMMAO-PKOBYXMFSA-N 1 3 336.479 3.890 20 0 EHADHO CN(Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000154468658 1040328071 /nfs/dbraw/zinc/32/80/71/1040328071.db2.gz AZHQLMMXWMZLJK-UHFFFAOYSA-N 1 3 337.511 3.849 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000512637449 1040362851 /nfs/dbraw/zinc/36/28/51/1040362851.db2.gz VYNKRZDHQPILDE-BHDDXSALSA-N 1 3 342.527 3.693 20 0 EHADHO c1ccc(C[N@H+]2CC[C@@H](CNCc3ccc4ncccc4c3)C2)cc1 ZINC000310953691 1040438191 /nfs/dbraw/zinc/43/81/91/1040438191.db2.gz ZVVWYHMOLQJLQF-FQEVSTJZSA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccc4ncccc4c3)C2)cc1 ZINC000310953691 1040438205 /nfs/dbraw/zinc/43/82/05/1040438205.db2.gz ZVVWYHMOLQJLQF-FQEVSTJZSA-N 1 3 331.463 3.847 20 0 EHADHO CC[C@H](Cc1ccccc1)[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000500078189 1040455554 /nfs/dbraw/zinc/45/55/54/1040455554.db2.gz XPGBQRMHLFNVED-JOCHJYFZSA-N 1 3 345.575 3.746 20 0 EHADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000500078189 1040455557 /nfs/dbraw/zinc/45/55/57/1040455557.db2.gz XPGBQRMHLFNVED-JOCHJYFZSA-N 1 3 345.575 3.746 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C[C@H](C)O1 ZINC000553886503 1040571266 /nfs/dbraw/zinc/57/12/66/1040571266.db2.gz NTHSELAFUQSQKR-LVCYWYKZSA-N 1 3 342.527 3.538 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348571 1042409736 /nfs/dbraw/zinc/40/97/36/1042409736.db2.gz IRQPASUZQXYISI-JECZMYCTSA-N 1 3 338.442 3.634 20 0 EHADHO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925736092 1042424775 /nfs/dbraw/zinc/42/47/75/1042424775.db2.gz YPYPQHMAIHTYJL-YLFCFFPRSA-N 1 3 330.438 3.889 20 0 EHADHO Fc1cccc(-c2cnc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662293068 1042663418 /nfs/dbraw/zinc/66/34/18/1042663418.db2.gz JMDBYSUPIVESEN-KRWDZBQOSA-N 1 3 343.446 3.692 20 0 EHADHO C[C@H]1C[N@H+](CCCNCc2cccc(-c3ccccc3)c2)CCCO1 ZINC000432356021 1043018332 /nfs/dbraw/zinc/01/83/32/1043018332.db2.gz AXPQCMBMMMNOEV-IBGZPJMESA-N 1 3 338.495 3.944 20 0 EHADHO C[C@H]1C[N@@H+](CCCNCc2cccc(-c3ccccc3)c2)CCCO1 ZINC000432356021 1043018338 /nfs/dbraw/zinc/01/83/38/1043018338.db2.gz AXPQCMBMMMNOEV-IBGZPJMESA-N 1 3 338.495 3.944 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404089 1043098734 /nfs/dbraw/zinc/09/87/34/1043098734.db2.gz CUDPNONUSMIQQQ-QZTJIDSGSA-N 1 3 330.516 3.717 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404089 1043098744 /nfs/dbraw/zinc/09/87/44/1043098744.db2.gz CUDPNONUSMIQQQ-QZTJIDSGSA-N 1 3 330.516 3.717 20 0 EHADHO C[C@H]1C[C@H]([NH2+]C2CCN(C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444446 1044003059 /nfs/dbraw/zinc/00/30/59/1044003059.db2.gz GVAYVQIAZQHYHG-RXVVDRJESA-N 1 3 341.543 3.504 20 0 EHADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000171130145 1126752197 /nfs/dbraw/zinc/75/21/97/1126752197.db2.gz WOCVECPEVSKIED-LJQANCHMSA-N 1 3 340.467 3.760 20 0 EHADHO CSc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000173359790 1126830158 /nfs/dbraw/zinc/83/01/58/1126830158.db2.gz BGNIMZMBRFRIFD-ULQDDVLXSA-N 1 3 336.545 3.949 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732785 1126878014 /nfs/dbraw/zinc/87/80/14/1126878014.db2.gz OZWBNRMTVYGIFB-GDBMZVCRSA-N 1 3 344.421 3.790 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000175732785 1126878018 /nfs/dbraw/zinc/87/80/18/1126878018.db2.gz OZWBNRMTVYGIFB-GDBMZVCRSA-N 1 3 344.421 3.790 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1(C)C ZINC000623352126 1126928443 /nfs/dbraw/zinc/92/84/43/1126928443.db2.gz PSKSMZDNEKUXMW-INIZCTEOSA-N 1 3 344.421 3.728 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC1(C)C ZINC000623356977 1126928458 /nfs/dbraw/zinc/92/84/58/1126928458.db2.gz RPSVFTCWFXIYIT-IBGZPJMESA-N 1 3 342.483 3.959 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398702 1126944278 /nfs/dbraw/zinc/94/42/78/1126944278.db2.gz MUABHXXHDHIGSJ-VQTJNVASSA-N 1 3 329.532 3.676 20 0 EHADHO C[N@H+]1CC[C@H](N[C@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398702 1126944280 /nfs/dbraw/zinc/94/42/80/1126944280.db2.gz MUABHXXHDHIGSJ-VQTJNVASSA-N 1 3 329.532 3.676 20 0 EHADHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000623656758 1127007005 /nfs/dbraw/zinc/00/70/05/1127007005.db2.gz BEJBUSPMWHCPSC-GOSISDBHSA-N 1 3 349.950 3.626 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121247 1127255779 /nfs/dbraw/zinc/25/57/79/1127255779.db2.gz RFMQMOUFTQTEHI-FUHWJXTLSA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121247 1127255781 /nfs/dbraw/zinc/25/57/81/1127255781.db2.gz RFMQMOUFTQTEHI-FUHWJXTLSA-N 1 3 326.488 3.563 20 0 EHADHO COc1ccc([C@@H]2C[C@H]([NH2+]CCCN3CCCC[C@H]3C)CCO2)cc1 ZINC001168591329 1128179673 /nfs/dbraw/zinc/17/96/73/1128179673.db2.gz USBNQUUBTQQJRS-QFUCXCTJSA-N 1 3 346.515 3.769 20 0 EHADHO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(C(C)C)CC1 ZINC000186572609 1120466114 /nfs/dbraw/zinc/46/61/14/1120466114.db2.gz WACOFPIYIWZMJO-NRFANRHFSA-N 1 3 331.548 3.605 20 0 EHADHO Cc1ccsc1[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124687251 1122292199 /nfs/dbraw/zinc/29/21/99/1122292199.db2.gz ADODIUBQLBRIDG-KRWDZBQOSA-N 1 3 335.561 3.657 20 0 EHADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000125332874 1122313684 /nfs/dbraw/zinc/31/36/84/1122313684.db2.gz FIEKEFYKIJWJQC-LBPRGKRZSA-N 1 3 343.284 3.971 20 0 EHADHO CN(C)C[C@H](Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000128826893 1122675430 /nfs/dbraw/zinc/67/54/30/1122675430.db2.gz MEZRJMFRHLSEIA-NRFANRHFSA-N 1 3 343.559 3.546 20 0 EHADHO CCc1nc2cc(C[NH2+]C3CCN(C(C)C)CC3)ccc2n1C1CC1 ZINC000338794421 1129074055 /nfs/dbraw/zinc/07/40/55/1129074055.db2.gz PJGRLHLAWXVJKN-UHFFFAOYSA-N 1 3 340.515 3.896 20 0 EHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000556224991 1122880592 /nfs/dbraw/zinc/88/05/92/1122880592.db2.gz REJHDDAJIQTIEM-OAHLLOKOSA-N 1 3 342.462 3.536 20 0 EHADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000131174359 1123056147 /nfs/dbraw/zinc/05/61/47/1123056147.db2.gz CDIYRYPZOAUHEL-OAHLLOKOSA-N 1 3 343.515 3.687 20 0 EHADHO Fc1cnccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449130564 1124950964 /nfs/dbraw/zinc/95/09/64/1124950964.db2.gz ZHLCOINQYKJLEX-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1CN1CCCCC1 ZINC000182958670 1125407831 /nfs/dbraw/zinc/40/78/31/1125407831.db2.gz DIXIQQCLJUSLDR-LAUBAEHRSA-N 1 3 348.531 3.739 20 0 EHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000682076309 1129206791 /nfs/dbraw/zinc/20/67/91/1129206791.db2.gz LFFWYBTXUKAKFC-KRWDZBQOSA-N 1 3 332.536 3.988 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139205 1130388841 /nfs/dbraw/zinc/38/88/41/1130388841.db2.gz NKIDNLUDAMJJDY-UXPWSPDFSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139205 1130388847 /nfs/dbraw/zinc/38/88/47/1130388847.db2.gz NKIDNLUDAMJJDY-UXPWSPDFSA-N 1 3 344.524 3.598 20 0 EHADHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000766188051 1130649748 /nfs/dbraw/zinc/64/97/48/1130649748.db2.gz PXKIMFAGOQMQLQ-VAMGGRTRSA-N 1 3 334.548 3.824 20 0 EHADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565427 1131774631 /nfs/dbraw/zinc/77/46/31/1131774631.db2.gz YEGYTIHYYFTHFJ-FCEUIQTBSA-N 1 3 342.527 3.898 20 0 EHADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C2)cc1 ZINC001172545246 1131783175 /nfs/dbraw/zinc/78/31/75/1131783175.db2.gz IEUCBBZRYPQDBD-GXRSIYKFSA-N 1 3 342.527 3.946 20 0 EHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC2(CN(C)C2)CC1 ZINC001172579035 1131792043 /nfs/dbraw/zinc/79/20/43/1131792043.db2.gz UYBFGBCZXJBWBO-CYBMUJFWSA-N 1 3 342.861 3.967 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001173074158 1131955647 /nfs/dbraw/zinc/95/56/47/1131955647.db2.gz CVVMGVSMCLDFME-FVQBIDKESA-N 1 3 344.421 3.979 20 0 EHADHO CCc1ccc(C[C@@H](C)N2CCN(CCC[NH+](CC)CC)CC2)cc1 ZINC001173244845 1132016224 /nfs/dbraw/zinc/01/62/24/1132016224.db2.gz YNBAZIZAYIPRGA-HXUWFJFHSA-N 1 3 345.575 3.530 20 0 EHADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702316 1132129392 /nfs/dbraw/zinc/12/93/92/1132129392.db2.gz KYFDHTWSBYHLGD-DYESRHJHSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702316 1132129396 /nfs/dbraw/zinc/12/93/96/1132129396.db2.gz KYFDHTWSBYHLGD-DYESRHJHSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@H](C[NH3+])CN(C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702316 1132129401 /nfs/dbraw/zinc/12/94/01/1132129401.db2.gz KYFDHTWSBYHLGD-DYESRHJHSA-N 1 3 338.495 3.650 20 0 EHADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173738445 1132139265 /nfs/dbraw/zinc/13/92/65/1132139265.db2.gz SCIJKXOBPQYKAO-QGZVFWFLSA-N 1 3 346.515 3.601 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118321 1132663603 /nfs/dbraw/zinc/66/36/03/1132663603.db2.gz HJAJZMIYDQENRI-BURNTYAHSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118321 1132663607 /nfs/dbraw/zinc/66/36/07/1132663607.db2.gz HJAJZMIYDQENRI-BURNTYAHSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118322 1132664128 /nfs/dbraw/zinc/66/41/28/1132664128.db2.gz HJAJZMIYDQENRI-MXEMCNAFSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118322 1132664132 /nfs/dbraw/zinc/66/41/32/1132664132.db2.gz HJAJZMIYDQENRI-MXEMCNAFSA-N 1 3 346.490 3.898 20 0 EHADHO CCC[C@](C)(NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891248 1133007617 /nfs/dbraw/zinc/00/76/17/1133007617.db2.gz CIABDTMUOXFJMM-YADHBBJMSA-N 1 3 340.511 3.784 20 0 EHADHO CCC[C@](C)(NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891248 1133007624 /nfs/dbraw/zinc/00/76/24/1133007624.db2.gz CIABDTMUOXFJMM-YADHBBJMSA-N 1 3 340.511 3.784 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC001184388039 1133933875 /nfs/dbraw/zinc/93/38/75/1133933875.db2.gz PATMVWGUBBCDRL-JWZBEHFJSA-N 1 3 326.406 3.739 20 0 EHADHO CCn1c2ccccc2nc1[C@@H]1CCCN1CC1CC[NH+](C)CC1 ZINC000788487061 1134131383 /nfs/dbraw/zinc/13/13/83/1134131383.db2.gz BSAGVHCWELTXEP-IBGZPJMESA-N 1 3 326.488 3.535 20 0 EHADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H](C)CCCC(C)C)CC2)C1 ZINC001170090158 1134177032 /nfs/dbraw/zinc/17/70/32/1134177032.db2.gz HPQQFLHSWJAQGI-ZWKOTPCHSA-N 1 3 338.536 3.551 20 0 EHADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H](C)CCCC(C)C)CC2)C1 ZINC001170090158 1134177035 /nfs/dbraw/zinc/17/70/35/1134177035.db2.gz HPQQFLHSWJAQGI-ZWKOTPCHSA-N 1 3 338.536 3.551 20 0 EHADHO CC[C@@H]1C[C@@H](N2CCC([N@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224524 1134722184 /nfs/dbraw/zinc/72/21/84/1134722184.db2.gz UJLODCGVAHIPAQ-LEWJYISDSA-N 1 3 330.516 3.931 20 0 EHADHO CC[C@@H]1C[C@@H](N2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224524 1134722190 /nfs/dbraw/zinc/72/21/90/1134722190.db2.gz UJLODCGVAHIPAQ-LEWJYISDSA-N 1 3 330.516 3.931 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H](CO)C(C)C)cc1CN1CCCCC1 ZINC000806170248 1135397543 /nfs/dbraw/zinc/39/75/43/1135397543.db2.gz YJGWMENMDVBODC-FXAWDEMLSA-N 1 3 348.531 3.596 20 0 EHADHO CCCCN(CCOC[C@H]1CCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545957 1135578997 /nfs/dbraw/zinc/57/89/97/1135578997.db2.gz VYHJFWRDFMXZAJ-GOSISDBHSA-N 1 3 340.552 3.593 20 0 EHADHO CCCC[N@H+](CCc1cnn(CC)c1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545877 1135579494 /nfs/dbraw/zinc/57/94/94/1135579494.db2.gz SUYHMLJLYNLGMF-UHFFFAOYSA-N 1 3 334.552 3.857 20 0 EHADHO CCCC[N@@H+](CCc1cnn(CC)c1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545877 1135579500 /nfs/dbraw/zinc/57/95/00/1135579500.db2.gz SUYHMLJLYNLGMF-UHFFFAOYSA-N 1 3 334.552 3.857 20 0 EHADHO CCCCN(C[C@@H]1COC(C)(C)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545373 1135579831 /nfs/dbraw/zinc/57/98/31/1135579831.db2.gz NNWOJRXXIPWWGQ-MRXNPFEDSA-N 1 3 326.525 3.549 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CCC)CC2)CC1 ZINC001201379820 1136014240 /nfs/dbraw/zinc/01/42/40/1136014240.db2.gz IDRBHRBRWXFCCO-UHFFFAOYSA-N 1 3 329.532 3.889 20 0 EHADHO CC(C)CCN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201620100 1136047856 /nfs/dbraw/zinc/04/78/56/1136047856.db2.gz GQJUAFWWNQFNAM-GOSISDBHSA-N 1 3 337.458 3.661 20 0 EHADHO CC(C)CCN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201620100 1136047857 /nfs/dbraw/zinc/04/78/57/1136047857.db2.gz GQJUAFWWNQFNAM-GOSISDBHSA-N 1 3 337.458 3.661 20 0 EHADHO C[C@@H]([NH2+]CCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850569832 1136288367 /nfs/dbraw/zinc/28/83/67/1136288367.db2.gz CIUXPQPIXNYAIY-NVXWUHKLSA-N 1 3 336.570 3.683 20 0 EHADHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000813881857 1136372390 /nfs/dbraw/zinc/37/23/90/1136372390.db2.gz WLARBZXTQVEBBY-PAMCTJKJSA-N 1 3 341.543 3.644 20 0 EHADHO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146550 1136562451 /nfs/dbraw/zinc/56/24/51/1136562451.db2.gz RMHSZEMYANZQSO-QGZVFWFLSA-N 1 3 326.456 3.919 20 0 EHADHO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)C1 ZINC000815146550 1136562453 /nfs/dbraw/zinc/56/24/53/1136562453.db2.gz RMHSZEMYANZQSO-QGZVFWFLSA-N 1 3 326.456 3.919 20 0 EHADHO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1)C(C)(C)O ZINC000815652297 1136626965 /nfs/dbraw/zinc/62/69/65/1136626965.db2.gz WPQCODINUZEHMT-KXBFYZLASA-N 1 3 336.520 3.737 20 0 EHADHO CCCCCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599840 1136798021 /nfs/dbraw/zinc/79/80/21/1136798021.db2.gz OFFJBQSGBHXKGA-HXUWFJFHSA-N 1 3 333.520 3.955 20 0 EHADHO CCCCCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599840 1136798024 /nfs/dbraw/zinc/79/80/24/1136798024.db2.gz OFFJBQSGBHXKGA-HXUWFJFHSA-N 1 3 333.520 3.955 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000817962122 1136852034 /nfs/dbraw/zinc/85/20/34/1136852034.db2.gz GFDAOKZCWZSUNN-HZPDHXFCSA-N 1 3 337.467 3.684 20 0 EHADHO Fc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000858169007 1136945954 /nfs/dbraw/zinc/94/59/54/1136945954.db2.gz UVNDHVLGFPLTOJ-IHWFROFDSA-N 1 3 339.458 3.896 20 0 EHADHO Fc1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000859219373 1137008183 /nfs/dbraw/zinc/00/81/83/1137008183.db2.gz WHWXMUZTXAINBD-UHFFFAOYSA-N 1 3 339.458 3.709 20 0 EHADHO Fc1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000859219373 1137008185 /nfs/dbraw/zinc/00/81/85/1137008185.db2.gz WHWXMUZTXAINBD-UHFFFAOYSA-N 1 3 339.458 3.709 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccnc(F)c2C)CC1)CC1CC1 ZINC000862261908 1137136170 /nfs/dbraw/zinc/13/61/70/1137136170.db2.gz NWOQNFHYKCDVBB-UHFFFAOYSA-N 1 3 333.495 3.863 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccnc(F)c2C)CC1)CC1CC1 ZINC000862261908 1137136171 /nfs/dbraw/zinc/13/61/71/1137136171.db2.gz NWOQNFHYKCDVBB-UHFFFAOYSA-N 1 3 333.495 3.863 20 0 EHADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171408924 1137474299 /nfs/dbraw/zinc/47/42/99/1137474299.db2.gz AMEQBDDIFYXVLZ-LJQANCHMSA-N 1 3 330.491 3.927 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C[C@H](C)O1 ZINC000716619612 1137487561 /nfs/dbraw/zinc/48/75/61/1137487561.db2.gz GDXPABBADIDLFZ-FHBGEGHHSA-N 1 3 328.500 3.585 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716680091 1137488401 /nfs/dbraw/zinc/48/84/01/1137488401.db2.gz FRJKPILWMMPEFL-YRPNKDGESA-N 1 3 328.500 3.587 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641893 1137504629 /nfs/dbraw/zinc/50/46/29/1137504629.db2.gz UYKPSABHGFPWMS-SFHVURJKSA-N 1 3 334.479 3.930 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641893 1137504630 /nfs/dbraw/zinc/50/46/30/1137504630.db2.gz UYKPSABHGFPWMS-SFHVURJKSA-N 1 3 334.479 3.930 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CC[C@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641893 1137504631 /nfs/dbraw/zinc/50/46/31/1137504631.db2.gz UYKPSABHGFPWMS-SFHVURJKSA-N 1 3 334.479 3.930 20 0 EHADHO Fc1cccc2c1C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001171790389 1137512648 /nfs/dbraw/zinc/51/26/48/1137512648.db2.gz KBTAQFKETGZSKJ-VQIMIIECSA-N 1 3 328.475 3.703 20 0 EHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001171790389 1137512649 /nfs/dbraw/zinc/51/26/49/1137512649.db2.gz KBTAQFKETGZSKJ-VQIMIIECSA-N 1 3 328.475 3.703 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(OCC4CC4)C3)CC1)C2 ZINC001172123330 1137538803 /nfs/dbraw/zinc/53/88/03/1137538803.db2.gz ZWZWGRQCPHIAIB-BWTSREIZSA-N 1 3 332.532 3.673 20 0 EHADHO CCOc1ccc([C@H]2CCCN2C2CC[NH+](CCCOC)CC2)cc1 ZINC001172255701 1137544804 /nfs/dbraw/zinc/54/48/04/1137544804.db2.gz KWFMLWPJMXUNDM-OAQYLSRUSA-N 1 3 346.515 3.723 20 0 EHADHO CCOCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001172417578 1137556279 /nfs/dbraw/zinc/55/62/79/1137556279.db2.gz WIMZDHWRUCNYPS-INIZCTEOSA-N 1 3 338.923 3.957 20 0 EHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000872031982 1137566484 /nfs/dbraw/zinc/56/64/84/1137566484.db2.gz ORNQDWZYKHODNU-ACRUOGEOSA-N 1 3 344.543 3.734 20 0 EHADHO Fc1cccc2c(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057686 1137575411 /nfs/dbraw/zinc/57/54/11/1137575411.db2.gz MBJQNGKUFQZEOI-KDURUIRLSA-N 1 3 349.453 3.871 20 0 EHADHO Fc1cccc2c(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057686 1137575412 /nfs/dbraw/zinc/57/54/12/1137575412.db2.gz MBJQNGKUFQZEOI-KDURUIRLSA-N 1 3 349.453 3.871 20 0 EHADHO Cc1ccc(OCc2nc(CN[C@@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873222455 1137594344 /nfs/dbraw/zinc/59/43/44/1137594344.db2.gz UNMDPDJOODENEX-HNNXBMFYSA-N 1 3 345.512 3.508 20 0 EHADHO [NH3+][C@H]1C[C@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000873256826 1137595548 /nfs/dbraw/zinc/59/55/48/1137595548.db2.gz OWUNIBXYGWJRIO-DDUZABMNSA-N 1 3 345.284 3.865 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3oc(=O)oc3c2)c1 ZINC000882900996 1137837311 /nfs/dbraw/zinc/83/73/11/1137837311.db2.gz XPSUYGOFPGXBIC-UHFFFAOYSA-N 1 3 340.423 3.518 20 0 EHADHO CSc1ccc(CNCC2(c3ccccc3)CC[NH+](C)CC2)o1 ZINC000883197504 1137848135 /nfs/dbraw/zinc/84/81/35/1137848135.db2.gz NFGHCASDNKIZBD-UHFFFAOYSA-N 1 3 330.497 3.755 20 0 EHADHO Cc1nc(-c2ccccc2)oc1CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883439445 1137860664 /nfs/dbraw/zinc/86/06/64/1137860664.db2.gz RMHMZGPIEHTJJY-FQEVSTJZSA-N 1 3 327.472 3.847 20 0 EHADHO CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000886557018 1138095927 /nfs/dbraw/zinc/09/59/27/1138095927.db2.gz PLDYJXGKLZYFLI-SXYSDOLCSA-N 1 3 328.500 3.587 20 0 EHADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000090522448 1138211060 /nfs/dbraw/zinc/21/10/60/1138211060.db2.gz CWROBDVIWZEKMY-QYZOEREBSA-N 1 3 346.540 3.581 20 0 EHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000124641028 1138291102 /nfs/dbraw/zinc/29/11/02/1138291102.db2.gz ZEEPSAGHXMAWPY-BBWFWOEESA-N 1 3 328.456 3.740 20 0 EHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000132781789 1138602490 /nfs/dbraw/zinc/60/24/90/1138602490.db2.gz FULODGWKUDZDQZ-INIZCTEOSA-N 1 3 342.458 3.633 20 0 EHADHO Cc1ccc(C[NH2+]CCCN2CCC(C)CC2)c(-c2cnn(C)c2)c1 ZINC000338426699 1138908745 /nfs/dbraw/zinc/90/87/45/1138908745.db2.gz RULWVTLUYLOLGM-UHFFFAOYSA-N 1 3 340.515 3.607 20 0 EHADHO C[C@H](N[C@@H]1CCCc2occc21)c1cccc(OCC[NH+](C)C)c1 ZINC000152248215 1139081345 /nfs/dbraw/zinc/08/13/45/1139081345.db2.gz ZDYAZMHFRGIPSM-HNAYVOBHSA-N 1 3 328.456 3.948 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000153749321 1139149806 /nfs/dbraw/zinc/14/98/06/1139149806.db2.gz JWQIPWHVEYFMNK-SPYBWZPUSA-N 1 3 343.446 3.831 20 0 EHADHO C[C@H](CCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000193818998 1140587916 /nfs/dbraw/zinc/58/79/16/1140587916.db2.gz CMFQMOSQCAUHPE-NJYVYQBISA-N 1 3 343.559 3.671 20 0 EHADHO C[C@H](CCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000193818998 1140587917 /nfs/dbraw/zinc/58/79/17/1140587917.db2.gz CMFQMOSQCAUHPE-NJYVYQBISA-N 1 3 343.559 3.671 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000194853862 1140623379 /nfs/dbraw/zinc/62/33/79/1140623379.db2.gz OFVLQKOLTLQYHA-KRWDZBQOSA-N 1 3 342.483 3.964 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)CCN1Cc1ccccc1 ZINC000268731660 1140978710 /nfs/dbraw/zinc/97/87/10/1140978710.db2.gz UGLQERDBYIAOEL-YZGWKJHDSA-N 1 3 341.499 3.525 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789491 1140993195 /nfs/dbraw/zinc/99/31/95/1140993195.db2.gz TXQYFGWXGCHFIL-KBPBESRZSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000269061656 1141058453 /nfs/dbraw/zinc/05/84/53/1141058453.db2.gz UKHVWCASZCLIKT-AWEZNQCLSA-N 1 3 348.487 3.662 20 0 EHADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCC1([NH+]2CCCC2)CCOCC1 ZINC000271151944 1141315125 /nfs/dbraw/zinc/31/51/25/1141315125.db2.gz QJSFXUKCAZBRBX-PKOBYXMFSA-N 1 3 328.500 3.778 20 0 EHADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000271610374 1141405877 /nfs/dbraw/zinc/40/58/77/1141405877.db2.gz AKZAFRARYMHYRB-IAGOWNOFSA-N 1 3 328.504 3.879 20 0 EHADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000271610374 1141405879 /nfs/dbraw/zinc/40/58/79/1141405879.db2.gz AKZAFRARYMHYRB-IAGOWNOFSA-N 1 3 328.504 3.879 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000283220695 1141575602 /nfs/dbraw/zinc/57/56/02/1141575602.db2.gz HXBOEXQINWFWTO-QGZVFWFLSA-N 1 3 345.556 3.968 20 0 EHADHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC(C)C ZINC000348868933 1141599984 /nfs/dbraw/zinc/59/99/84/1141599984.db2.gz LSWNBLIZZZWSQR-DFNIBXOVSA-N 1 3 346.515 3.787 20 0 EHADHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC(C)C ZINC000348868933 1141599989 /nfs/dbraw/zinc/59/99/89/1141599989.db2.gz LSWNBLIZZZWSQR-DFNIBXOVSA-N 1 3 346.515 3.787 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000067452986 215147786 /nfs/dbraw/zinc/14/77/86/215147786.db2.gz IFUJQZKUWSXEAT-HUUCEWRRSA-N 1 3 344.421 3.684 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000037644590 521711070 /nfs/dbraw/zinc/71/10/70/521711070.db2.gz JTSKNFQXFNVEED-RYUDHWBXSA-N 1 3 329.257 3.581 20 0 EHADHO CN(Cc1cc(Br)ccc1Cl)CC1CC[NH2+]CC1 ZINC000234286605 523163175 /nfs/dbraw/zinc/16/31/75/523163175.db2.gz WHLWNRYSULGGON-UHFFFAOYSA-N 1 3 331.685 3.534 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2cnccc21 ZINC000904476607 1032073020 /nfs/dbraw/zinc/07/30/20/1032073020.db2.gz UYYKALRFEVRILH-IFMALSPDSA-N 1 3 345.446 3.580 20 0 EHADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(C(=O)OC)cc1 ZINC000340350787 1017003563 /nfs/dbraw/zinc/00/35/63/1017003563.db2.gz IXUOQZCFKKPYIP-VQIMIIECSA-N 1 3 332.488 3.778 20 0 EHADHO Cc1nc2ccccn2c1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000311898889 1017060961 /nfs/dbraw/zinc/06/09/61/1017060961.db2.gz FMAGOCUJUFCMJR-JOCHJYFZSA-N 1 3 348.494 3.645 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449098627 1032180032 /nfs/dbraw/zinc/18/00/32/1032180032.db2.gz KJQZZQQVKVAERN-UHFFFAOYSA-N 1 3 332.488 3.592 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449104532 1032183819 /nfs/dbraw/zinc/18/38/19/1032183819.db2.gz GDOPGBIUSXDASF-CQSZACIVSA-N 1 3 333.476 3.771 20 0 EHADHO CCOc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(Cl)c1[O-] ZINC000459566030 1032294098 /nfs/dbraw/zinc/29/40/98/1032294098.db2.gz GYBZFWXRFOPGRT-UHFFFAOYSA-N 1 3 328.884 3.654 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc(C)c1F ZINC000536843129 1032336659 /nfs/dbraw/zinc/33/66/59/1032336659.db2.gz CSYMOVCJHGMPJY-PWIZWCRZSA-N 1 3 348.506 3.861 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@H](C)C1 ZINC000536882738 1032387500 /nfs/dbraw/zinc/38/75/00/1032387500.db2.gz MSGOTHOTVNWFRY-APWZRJJASA-N 1 3 346.515 3.837 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)o1 ZINC000536883830 1032389512 /nfs/dbraw/zinc/38/95/12/1032389512.db2.gz YMRJJBWXWXBPIX-IBGZPJMESA-N 1 3 341.499 3.841 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc(C)c1F ZINC000090523619 1032583526 /nfs/dbraw/zinc/58/35/26/1032583526.db2.gz CSYMOVCJHGMPJY-VDGAXYAQSA-N 1 3 348.506 3.861 20 0 EHADHO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000246038921 1032620595 /nfs/dbraw/zinc/62/05/95/1032620595.db2.gz WWYNJPKWLNKFDG-KSVNGYGVSA-N 1 3 326.488 3.525 20 0 EHADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415054517 1017473912 /nfs/dbraw/zinc/47/39/12/1017473912.db2.gz NQHJOPLWYOIUOR-LJQANCHMSA-N 1 3 328.504 3.825 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000655939169 1017968219 /nfs/dbraw/zinc/96/82/19/1017968219.db2.gz COPBDQQJPYCMMQ-TZIWHRDSSA-N 1 3 346.515 3.537 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2s1 ZINC000275665447 1018019563 /nfs/dbraw/zinc/01/95/63/1018019563.db2.gz BTTOOXSEOJZDDU-QGTPRVQTSA-N 1 3 344.524 3.930 20 0 EHADHO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](N3CCOCC3)CC2)c1C ZINC000580095348 1018639431 /nfs/dbraw/zinc/63/94/31/1018639431.db2.gz QLTNKLGJQQXVNC-GOSISDBHSA-N 1 3 339.483 3.543 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560828 1032807844 /nfs/dbraw/zinc/80/78/44/1032807844.db2.gz PYGCWPLCBYCIOA-RLAWYHOSSA-N 1 3 343.298 3.976 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560828 1032807861 /nfs/dbraw/zinc/80/78/61/1032807861.db2.gz PYGCWPLCBYCIOA-RLAWYHOSSA-N 1 3 343.298 3.976 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398199850 1019944642 /nfs/dbraw/zinc/94/46/42/1019944642.db2.gz PFBJRNMDBOTMDN-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398199850 1019944651 /nfs/dbraw/zinc/94/46/51/1019944651.db2.gz PFBJRNMDBOTMDN-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345715219 1020468750 /nfs/dbraw/zinc/46/87/50/1020468750.db2.gz HVHUVBFFRAKGOB-HXUWFJFHSA-N 1 3 349.950 3.798 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600309 1021136377 /nfs/dbraw/zinc/13/63/77/1021136377.db2.gz KCHPNGCLURJWEL-GOEBONIOSA-N 1 3 328.422 3.956 20 0 EHADHO CC(C)C[C@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000684359950 1021273948 /nfs/dbraw/zinc/27/39/48/1021273948.db2.gz LWNJVIALBIGRAO-FGZHOGPDSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)C[C@H](CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000684359950 1021273961 /nfs/dbraw/zinc/27/39/61/1021273961.db2.gz LWNJVIALBIGRAO-FGZHOGPDSA-N 1 3 343.559 3.528 20 0 EHADHO Fc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656786612 1021341279 /nfs/dbraw/zinc/34/12/79/1021341279.db2.gz OHKIQHMOQNXIMJ-OAHLLOKOSA-N 1 3 342.405 3.639 20 0 EHADHO Cc1ccccc1C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000518686337 1021423256 /nfs/dbraw/zinc/42/32/56/1021423256.db2.gz WDDYLWCQRWUIQS-JQVVWYNYSA-N 1 3 344.543 3.795 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414901908 1021738139 /nfs/dbraw/zinc/73/81/39/1021738139.db2.gz GQIINMADUSTOEK-OXQOHEQNSA-N 1 3 331.504 3.506 20 0 EHADHO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415008243 1021906684 /nfs/dbraw/zinc/90/66/84/1021906684.db2.gz SAOFAQZYQRBAAE-ZAAXVRCTSA-N 1 3 344.449 3.879 20 0 EHADHO c1c(CNCCCCCOC2CCCCC2)onc1C1CC[NH2+]CC1 ZINC000425899309 1022143667 /nfs/dbraw/zinc/14/36/67/1022143667.db2.gz KWADUTRHSOXPNG-UHFFFAOYSA-N 1 3 349.519 3.751 20 0 EHADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167969493 1022332962 /nfs/dbraw/zinc/33/29/62/1022332962.db2.gz DEQROFNBTGMYAB-MIJOPJBOSA-N 1 3 328.500 3.708 20 0 EHADHO COc1cccc(CCCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167995024 1022407356 /nfs/dbraw/zinc/40/73/56/1022407356.db2.gz UKHZXZMQKDLIIS-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO COc1cccc(CCCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167995024 1022407361 /nfs/dbraw/zinc/40/73/61/1022407361.db2.gz UKHZXZMQKDLIIS-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO COc1cccc(CCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167995024 1022407368 /nfs/dbraw/zinc/40/73/68/1022407368.db2.gz UKHZXZMQKDLIIS-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO COc1cccc(CCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167995024 1022407376 /nfs/dbraw/zinc/40/73/76/1022407376.db2.gz UKHZXZMQKDLIIS-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO c1ccc2nc(CCNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ccc2c1 ZINC001167972825 1022465526 /nfs/dbraw/zinc/46/55/26/1022465526.db2.gz CGLJTSSVBIOPFB-SEJPIABJSA-N 1 3 335.495 3.772 20 0 EHADHO c1ccc2nc(CCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2c1 ZINC001167972825 1022465537 /nfs/dbraw/zinc/46/55/37/1022465537.db2.gz CGLJTSSVBIOPFB-SEJPIABJSA-N 1 3 335.495 3.772 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2NCCc3ccccc32)CC1 ZINC000414955848 1023015683 /nfs/dbraw/zinc/01/56/83/1023015683.db2.gz NTCSTVMLIUDDSS-VOQZNFBZSA-N 1 3 341.543 3.506 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000535815233 1023656238 /nfs/dbraw/zinc/65/62/38/1023656238.db2.gz MHSODDZZBHEEMT-UHFFFAOYSA-N 1 3 332.517 3.690 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000535815233 1023656241 /nfs/dbraw/zinc/65/62/41/1023656241.db2.gz MHSODDZZBHEEMT-UHFFFAOYSA-N 1 3 332.517 3.690 20 0 EHADHO CCC(CC)(CNCC1(OC)CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000277010778 1023698673 /nfs/dbraw/zinc/69/86/73/1023698673.db2.gz LJZYDEWJEQXTTH-GOSISDBHSA-N 1 3 348.531 3.681 20 0 EHADHO Cc1cccc2oc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc21 ZINC000520564918 1024120720 /nfs/dbraw/zinc/12/07/20/1024120720.db2.gz KJSXIMQESYCACE-YESZJQIVSA-N 1 3 327.472 3.579 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3CCCO[C@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048193 1024360479 /nfs/dbraw/zinc/36/04/79/1024360479.db2.gz UMEBHYDLFZKOEE-ITEKTMBMSA-N 1 3 342.527 3.929 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3CCCO[C@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048193 1024360494 /nfs/dbraw/zinc/36/04/94/1024360494.db2.gz UMEBHYDLFZKOEE-ITEKTMBMSA-N 1 3 342.527 3.929 20 0 EHADHO CCn1nc(CNCCCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000472047059 1024474407 /nfs/dbraw/zinc/47/44/07/1024474407.db2.gz DICAYCDMMLRIHE-QGZVFWFLSA-N 1 3 328.504 3.800 20 0 EHADHO CCn1nc(CNCCCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000472047059 1024474412 /nfs/dbraw/zinc/47/44/12/1024474412.db2.gz DICAYCDMMLRIHE-QGZVFWFLSA-N 1 3 328.504 3.800 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000665232745 1024690834 /nfs/dbraw/zinc/69/08/34/1024690834.db2.gz SQYSQYLYOICZGB-BAGYTPMASA-N 1 3 335.495 3.659 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000665232745 1024690842 /nfs/dbraw/zinc/69/08/42/1024690842.db2.gz SQYSQYLYOICZGB-BAGYTPMASA-N 1 3 335.495 3.659 20 0 EHADHO c1cc2cc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2o1 ZINC000665238291 1024730646 /nfs/dbraw/zinc/73/06/46/1024730646.db2.gz VJSQILGQYYXUCA-GHTZIAJQSA-N 1 3 334.419 3.778 20 0 EHADHO CN(C)CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000151936896 1025007063 /nfs/dbraw/zinc/00/70/63/1025007063.db2.gz WBLPFIBSXVTCSG-ZDUSSCGKSA-N 1 3 329.307 3.527 20 0 EHADHO CCOc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)c(C)c1 ZINC000657316155 1025057635 /nfs/dbraw/zinc/05/76/35/1025057635.db2.gz ZONVFDZEWJYNND-UHFFFAOYSA-N 1 3 342.483 3.624 20 0 EHADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000346869160 1025264084 /nfs/dbraw/zinc/26/40/84/1025264084.db2.gz SYNPRNHJLBFVHK-FUHWJXTLSA-N 1 3 332.488 3.763 20 0 EHADHO CC[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000347022371 1025426509 /nfs/dbraw/zinc/42/65/09/1025426509.db2.gz OBKCETCKUGJLKZ-UHFFFAOYSA-N 1 3 346.906 3.562 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474037406 1025428020 /nfs/dbraw/zinc/42/80/20/1025428020.db2.gz QOLGJFYTHRIFSZ-XHSDSOJGSA-N 1 3 332.479 3.679 20 0 EHADHO CC[NH2+]CC1CCN(Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000347023821 1025429044 /nfs/dbraw/zinc/42/90/44/1025429044.db2.gz PTFQQWFOOOWISL-UHFFFAOYSA-N 1 3 346.906 3.656 20 0 EHADHO Fc1cccc2[nH]c(CNCCC[N@@H+]3CCc4ccccc4C3)cc21 ZINC000436281727 1025528542 /nfs/dbraw/zinc/52/85/42/1025528542.db2.gz OXEGULVPAMOUNH-UHFFFAOYSA-N 1 3 337.442 3.845 20 0 EHADHO Fc1cccc2[nH]c(CNCCC[N@H+]3CCc4ccccc4C3)cc21 ZINC000436281727 1025528549 /nfs/dbraw/zinc/52/85/49/1025528549.db2.gz OXEGULVPAMOUNH-UHFFFAOYSA-N 1 3 337.442 3.845 20 0 EHADHO CN1CCN(CC[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1(C)C ZINC000442870793 1025542496 /nfs/dbraw/zinc/54/24/96/1025542496.db2.gz AANXSOIUWQOYIF-LJQANCHMSA-N 1 3 349.538 3.919 20 0 EHADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442871042 1025543010 /nfs/dbraw/zinc/54/30/10/1025543010.db2.gz AVYQOXDMVGHHIN-GOSISDBHSA-N 1 3 337.939 3.653 20 0 EHADHO C[C@@H]1CC(N(C)CCc2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058090 1026318646 /nfs/dbraw/zinc/31/86/46/1026318646.db2.gz AVMPKTMNMCOAFL-RTBURBONSA-N 1 3 337.511 3.998 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1OC ZINC000475213142 1026391366 /nfs/dbraw/zinc/39/13/66/1026391366.db2.gz WCACNSYEFJWPLO-SJORKVTESA-N 1 3 348.531 3.907 20 0 EHADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(OC)cc1 ZINC000159066494 1026476223 /nfs/dbraw/zinc/47/62/23/1026476223.db2.gz DUFLOVSOVUQRGG-HXUWFJFHSA-N 1 3 334.504 3.627 20 0 EHADHO CC(C)N1CCCC[C@H]1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452122620 1026491850 /nfs/dbraw/zinc/49/18/50/1026491850.db2.gz VFYQKNSVGRKVEY-KRWDZBQOSA-N 1 3 349.485 3.598 20 0 EHADHO CC(C)N1CCCC[C@H]1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452122620 1026491861 /nfs/dbraw/zinc/49/18/61/1026491861.db2.gz VFYQKNSVGRKVEY-KRWDZBQOSA-N 1 3 349.485 3.598 20 0 EHADHO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192931758 1026640134 /nfs/dbraw/zinc/64/01/34/1026640134.db2.gz FPEXPRZMELKHAD-GOSISDBHSA-N 1 3 347.462 3.552 20 0 EHADHO Cc1ccc2nccc(NCCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000302158579 1027073464 /nfs/dbraw/zinc/07/34/64/1027073464.db2.gz NWULGOTYKCMNSB-IAGOWNOFSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2[nH+]ccc(NCCCCN3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000302158579 1027073472 /nfs/dbraw/zinc/07/34/72/1027073472.db2.gz NWULGOTYKCMNSB-IAGOWNOFSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2nccc(NCCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302158576 1027074227 /nfs/dbraw/zinc/07/42/27/1027074227.db2.gz NWULGOTYKCMNSB-CALCHBBNSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2nccc(NCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302158576 1027074235 /nfs/dbraw/zinc/07/42/35/1027074235.db2.gz NWULGOTYKCMNSB-CALCHBBNSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2[nH+]ccc(NCCCCN3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302158576 1027074240 /nfs/dbraw/zinc/07/42/40/1027074240.db2.gz NWULGOTYKCMNSB-CALCHBBNSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272765285 1027101326 /nfs/dbraw/zinc/10/13/26/1027101326.db2.gz LYONJRCRZLDMRY-GQIGUUNPSA-N 1 3 341.499 3.895 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420303757 1027449231 /nfs/dbraw/zinc/44/92/31/1027449231.db2.gz DIOGIAFFKVUQKC-ACRUOGEOSA-N 1 3 330.516 3.618 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420303757 1027449242 /nfs/dbraw/zinc/44/92/42/1027449242.db2.gz DIOGIAFFKVUQKC-ACRUOGEOSA-N 1 3 330.516 3.618 20 0 EHADHO C[NH2+]CC1CCN(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420298598 1027451091 /nfs/dbraw/zinc/45/10/91/1027451091.db2.gz SGJWGPAEFAXSAK-UHFFFAOYSA-N 1 3 344.890 3.537 20 0 EHADHO Fc1ccc(-c2c[nH]c([C@@H]3CCCN3CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313710 1027460941 /nfs/dbraw/zinc/46/09/41/1027460941.db2.gz JIJSMHGAXRQLEB-BEFAXECRSA-N 1 3 342.462 3.742 20 0 EHADHO Cc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453172611 1027490717 /nfs/dbraw/zinc/49/07/17/1027490717.db2.gz HYRZOKCJJIBHRE-YPAWHYETSA-N 1 3 335.495 3.923 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398485 1027515170 /nfs/dbraw/zinc/51/51/70/1027515170.db2.gz YVKADMTZPNGNHI-IPELMVKDSA-N 1 3 338.442 3.634 20 0 EHADHO COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414656015 1027726186 /nfs/dbraw/zinc/72/61/86/1027726186.db2.gz FBCVGQSUNHKHOI-HOTGVXAUSA-N 1 3 340.467 3.540 20 0 EHADHO CCCCOc1ccc(CN2CCC(C[NH2+]C)CC2)cc1OCC ZINC000414663703 1027763687 /nfs/dbraw/zinc/76/36/87/1027763687.db2.gz BWYABALIXUWUEJ-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO Cc1ccccc1NC(=O)C[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120026142 1027883247 /nfs/dbraw/zinc/88/32/47/1027883247.db2.gz UGFWSYCCXXUGRP-HNNXBMFYSA-N 1 3 331.504 3.611 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775377 1027933252 /nfs/dbraw/zinc/93/32/52/1027933252.db2.gz BJBGQGXFEQNDHE-LSDHHAIUSA-N 1 3 327.472 3.529 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862047 1027996695 /nfs/dbraw/zinc/99/66/95/1027996695.db2.gz NHFDURAHNAEREB-INDMIFKZSA-N 1 3 335.561 3.641 20 0 EHADHO CSCc1cc(F)ccc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422861769 1027997975 /nfs/dbraw/zinc/99/79/75/1027997975.db2.gz JOKKEQHBHJHWCO-GFCCVEGCSA-N 1 3 333.476 3.702 20 0 EHADHO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422899078 1028034063 /nfs/dbraw/zinc/03/40/63/1028034063.db2.gz NPXTWBZUSGVCID-CVEARBPZSA-N 1 3 327.472 3.584 20 0 EHADHO C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCCC1)C1C[NH2+]C1 ZINC000422899603 1028036404 /nfs/dbraw/zinc/03/64/04/1028036404.db2.gz HUOGATBWKFPEKL-ZDUSSCGKSA-N 1 3 326.406 3.715 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422908681 1028042348 /nfs/dbraw/zinc/04/23/48/1028042348.db2.gz YZKGNHICXRLBHE-CVEARBPZSA-N 1 3 326.406 3.987 20 0 EHADHO CCCCOc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422896258 1028053746 /nfs/dbraw/zinc/05/37/46/1028053746.db2.gz HXPWPVQMLUMRPW-INIZCTEOSA-N 1 3 341.499 3.921 20 0 EHADHO CCO[C@@H]1C[C@@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1SC ZINC000459371820 1028059510 /nfs/dbraw/zinc/05/95/10/1028059510.db2.gz HGGSYRUFCQEQLJ-AQNXPRMDSA-N 1 3 348.556 3.671 20 0 EHADHO N[C@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422951336 1028087520 /nfs/dbraw/zinc/08/75/20/1028087520.db2.gz YDOGQOBYPRPFQL-RBUKOAKNSA-N 1 3 337.398 3.758 20 0 EHADHO Clc1ccc(COCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423003326 1028116480 /nfs/dbraw/zinc/11/64/80/1028116480.db2.gz LSHAZPUMMDRWBN-GBESFXJTSA-N 1 3 336.907 3.757 20 0 EHADHO CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423048313 1028133743 /nfs/dbraw/zinc/13/37/43/1028133743.db2.gz IIZXCYPDBUSDPY-GVDBMIGSSA-N 1 3 343.437 3.558 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423048313 1028133755 /nfs/dbraw/zinc/13/37/55/1028133755.db2.gz IIZXCYPDBUSDPY-GVDBMIGSSA-N 1 3 343.437 3.558 20 0 EHADHO FC(F)c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423055148 1028165526 /nfs/dbraw/zinc/16/55/26/1028165526.db2.gz VRPIVPQFAIGEQW-YLJYHZDGSA-N 1 3 344.405 3.970 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423101282 1028181758 /nfs/dbraw/zinc/18/17/58/1028181758.db2.gz VUEUOHIBNYJEJB-RVZJWNSFSA-N 1 3 331.410 3.724 20 0 EHADHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423125405 1028190728 /nfs/dbraw/zinc/19/07/28/1028190728.db2.gz IAUZYUONHHANMI-BZUAXINKSA-N 1 3 341.421 3.543 20 0 EHADHO Cc1cc2cc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2[nH]1 ZINC000423103808 1028198623 /nfs/dbraw/zinc/19/86/23/1028198623.db2.gz GQABGJMWHKFYBJ-IFMALSPDSA-N 1 3 347.462 3.822 20 0 EHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cc(C(F)(F)F)ccn1 ZINC000423137438 1028223839 /nfs/dbraw/zinc/22/38/39/1028223839.db2.gz QWHFBSZIQMMSRN-UKRRQHHQSA-N 1 3 329.410 3.543 20 0 EHADHO NC1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCCCC1 ZINC000423185017 1028231673 /nfs/dbraw/zinc/23/16/73/1028231673.db2.gz UMCQLTNYFQWHSB-ZWKOTPCHSA-N 1 3 336.907 3.681 20 0 EHADHO COC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423159904 1028233738 /nfs/dbraw/zinc/23/37/38/1028233738.db2.gz YSRDVAWHSRCWSH-CZUORRHYSA-N 1 3 347.890 3.583 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423178731 1028247828 /nfs/dbraw/zinc/24/78/28/1028247828.db2.gz IJGZFNATEFWBLR-CYBMUJFWSA-N 1 3 345.437 3.899 20 0 EHADHO C[C@@H]([NH2+]CCCNCc1cccnc1)c1ccccc1Br ZINC000423191178 1028260791 /nfs/dbraw/zinc/26/07/91/1028260791.db2.gz SJAKTRWBNAVWCG-CQSZACIVSA-N 1 3 348.288 3.675 20 0 EHADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1SC ZINC000459371830 1028323529 /nfs/dbraw/zinc/32/35/29/1028323529.db2.gz HGGSYRUFCQEQLJ-ZCNNSNEGSA-N 1 3 348.556 3.671 20 0 EHADHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C(=O)OC)cc1 ZINC000423289130 1028328898 /nfs/dbraw/zinc/32/88/98/1028328898.db2.gz AJPSUKWULNRZJR-AUUYWEPGSA-N 1 3 326.440 3.734 20 0 EHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(Br)cs1 ZINC000423400454 1028411692 /nfs/dbraw/zinc/41/16/92/1028411692.db2.gz VKMUWSAUOCQEDI-JTQLQIEISA-N 1 3 337.286 3.965 20 0 EHADHO COC(=O)c1csc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423508605 1028472166 /nfs/dbraw/zinc/47/21/66/1028472166.db2.gz KYIUPCKSLFGLHC-CZUORRHYSA-N 1 3 332.469 3.666 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000423533469 1028487967 /nfs/dbraw/zinc/48/79/67/1028487967.db2.gz TZRJZYFTRGLZTI-IKIRDJBUSA-N 1 3 336.479 3.532 20 0 EHADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000237594262 1028655393 /nfs/dbraw/zinc/65/53/93/1028655393.db2.gz GDESFNNFCAYDRZ-HNNXBMFYSA-N 1 3 325.456 3.557 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000246878430 1028704662 /nfs/dbraw/zinc/70/46/62/1028704662.db2.gz DVQUAELUQDNBSE-DYESRHJHSA-N 1 3 340.515 3.893 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000246878430 1028704672 /nfs/dbraw/zinc/70/46/72/1028704672.db2.gz DVQUAELUQDNBSE-DYESRHJHSA-N 1 3 340.515 3.893 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000245461549 1028715045 /nfs/dbraw/zinc/71/50/45/1028715045.db2.gz NBNVZPKOUSZZLK-QLFBSQMISA-N 1 3 326.431 3.505 20 0 EHADHO COc1ccc(-c2ccccc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768998 1028734965 /nfs/dbraw/zinc/73/49/65/1028734965.db2.gz MVVLNPJDTQAVJX-BGYRXZFFSA-N 1 3 336.479 3.794 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248438304 1028904994 /nfs/dbraw/zinc/90/49/94/1028904994.db2.gz HUDSQKFMLDGCJW-KKSFZXQISA-N 1 3 342.458 3.633 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248438304 1028905010 /nfs/dbraw/zinc/90/50/10/1028905010.db2.gz HUDSQKFMLDGCJW-KKSFZXQISA-N 1 3 342.458 3.633 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424290476 1028930278 /nfs/dbraw/zinc/93/02/78/1028930278.db2.gz MQOCZGURENGRRT-QGZVFWFLSA-N 1 3 343.515 3.521 20 0 EHADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424289084 1028930929 /nfs/dbraw/zinc/93/09/29/1028930929.db2.gz LKNAKBQBSKKQFR-OAHLLOKOSA-N 1 3 327.497 3.774 20 0 EHADHO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnn1C ZINC000249039701 1028978358 /nfs/dbraw/zinc/97/83/58/1028978358.db2.gz UJYZFGNUOLOEJG-MVJPYGJCSA-N 1 3 338.499 3.575 20 0 EHADHO Cc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)sc1Br ZINC000424379776 1029036616 /nfs/dbraw/zinc/03/66/16/1029036616.db2.gz PCUVDLLGTZTGEH-GFCCVEGCSA-N 1 3 343.334 3.783 20 0 EHADHO C[C@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797958 1029147614 /nfs/dbraw/zinc/14/76/14/1029147614.db2.gz XADIMPHKCSGZCK-PBHICJAKSA-N 1 3 326.406 3.884 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1cccc(Br)c1 ZINC000414800458 1029158296 /nfs/dbraw/zinc/15/82/96/1029158296.db2.gz KVFARGHUZQEPCX-INWMFGNUSA-N 1 3 325.294 3.660 20 0 EHADHO Cc1ccc2ncc(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000272149898 1029333570 /nfs/dbraw/zinc/33/35/70/1029333570.db2.gz DEPJNHFBMCBGRH-ICSRJNTNSA-N 1 3 348.494 3.643 20 0 EHADHO FC(F)(F)c1cccc([C@]2(F)CCN(CC3CC[NH2+]CC3)C2)c1 ZINC000261877117 1029523668 /nfs/dbraw/zinc/52/36/68/1029523668.db2.gz VXTWVAKIAUCTTE-INIZCTEOSA-N 1 3 330.369 3.576 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000092738773 1029715175 /nfs/dbraw/zinc/71/51/75/1029715175.db2.gz BOSRLPHUARBBQP-UGSOOPFHSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738773 1029715184 /nfs/dbraw/zinc/71/51/84/1029715184.db2.gz BOSRLPHUARBBQP-UGSOOPFHSA-N 1 3 349.316 3.900 20 0 EHADHO CC(C)C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647293715 1029872657 /nfs/dbraw/zinc/87/26/57/1029872657.db2.gz XROVEFTUZAYQLN-WSTZPKSXSA-N 1 3 333.520 3.648 20 0 EHADHO C[N@H+](CCCCN[C@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000453420173 1030269876 /nfs/dbraw/zinc/26/98/76/1030269876.db2.gz ZLBUAQBCIDXXSQ-HXUWFJFHSA-N 1 3 327.447 3.774 20 0 EHADHO C[N@@H+](CCCCN[C@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000453420173 1030269897 /nfs/dbraw/zinc/26/98/97/1030269897.db2.gz ZLBUAQBCIDXXSQ-HXUWFJFHSA-N 1 3 327.447 3.774 20 0 EHADHO CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000532229343 1030492066 /nfs/dbraw/zinc/49/20/66/1030492066.db2.gz VXELFGFOKORYQX-DLBZAZTESA-N 1 3 344.503 3.816 20 0 EHADHO CCc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N(CC)CC)cc1 ZINC000550848327 1030529947 /nfs/dbraw/zinc/52/99/47/1030529947.db2.gz QVBWLIINHLDRMU-YYWHXJBOSA-N 1 3 331.548 3.562 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000568062345 1030694438 /nfs/dbraw/zinc/69/44/38/1030694438.db2.gz XZKVZJXYYRKTOO-OAHLLOKOSA-N 1 3 344.478 3.925 20 0 EHADHO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000482954697 1030848294 /nfs/dbraw/zinc/84/82/94/1030848294.db2.gz XWVQXWQRXVNOMG-FCEUIQTBSA-N 1 3 343.559 3.751 20 0 EHADHO Cc1ccc([C@@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000278457220 1030940018 /nfs/dbraw/zinc/94/00/18/1030940018.db2.gz MFDSYRJABNTQES-QIJUGHKUSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000278457220 1030940032 /nfs/dbraw/zinc/94/00/32/1030940032.db2.gz MFDSYRJABNTQES-QIJUGHKUSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457220 1030940042 /nfs/dbraw/zinc/94/00/42/1030940042.db2.gz MFDSYRJABNTQES-QIJUGHKUSA-N 1 3 338.495 3.529 20 0 EHADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000343517193 1031210865 /nfs/dbraw/zinc/21/08/65/1031210865.db2.gz RTMFAWDOPDPBIE-GOSISDBHSA-N 1 3 328.431 3.673 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccnn2-c2ccncc2)CCc2ccc(F)cc21 ZINC000668291576 1031402507 /nfs/dbraw/zinc/40/25/07/1031402507.db2.gz PNWLEPXGIBBUKU-HNNXBMFYSA-N 1 3 336.414 3.568 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccnn2-c2ccncc2)CCc2ccc(F)cc21 ZINC000668291576 1031402522 /nfs/dbraw/zinc/40/25/22/1031402522.db2.gz PNWLEPXGIBBUKU-HNNXBMFYSA-N 1 3 336.414 3.568 20 0 EHADHO Clc1ccccc1CN1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995253 1031446429 /nfs/dbraw/zinc/44/64/29/1031446429.db2.gz IGIJUBFRWFQKTB-SFHVURJKSA-N 1 3 347.934 3.569 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C2CCCCC2)cc1 ZINC000484133734 1031473904 /nfs/dbraw/zinc/47/39/04/1031473904.db2.gz AXVDZDHWILSJPL-QGZVFWFLSA-N 1 3 330.516 3.842 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527967280 1031537388 /nfs/dbraw/zinc/53/73/88/1031537388.db2.gz XOJHWHBKGQDRBB-XLIONFOSSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000537954593 1032042334 /nfs/dbraw/zinc/04/23/34/1032042334.db2.gz NUOHYGJONLDBTL-SXSPYAJSSA-N 1 3 349.522 3.673 20 0 EHADHO Fc1cc2cccnc2c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000120232640 1033533082 /nfs/dbraw/zinc/53/30/82/1033533082.db2.gz KBPDCYFSGGNHJX-UHFFFAOYSA-N 1 3 327.447 3.682 20 0 EHADHO Cc1ncsc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472350341 1033768291 /nfs/dbraw/zinc/76/82/91/1033768291.db2.gz TUXLYIBQSPVUDG-ZWKOTPCHSA-N 1 3 329.513 3.624 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000669692203 1033845514 /nfs/dbraw/zinc/84/55/14/1033845514.db2.gz GDLCIBJDYAMKGP-GJCOWUBNSA-N 1 3 341.543 3.580 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000669692203 1033845530 /nfs/dbraw/zinc/84/55/30/1033845530.db2.gz GDLCIBJDYAMKGP-GJCOWUBNSA-N 1 3 341.543 3.580 20 0 EHADHO COCc1csc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000658210075 1034072366 /nfs/dbraw/zinc/07/23/66/1034072366.db2.gz UVNAOCFWNSOQCE-OAHLLOKOSA-N 1 3 348.512 3.686 20 0 EHADHO Cc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1F ZINC000119394566 1034140279 /nfs/dbraw/zinc/14/02/79/1034140279.db2.gz WOYGDOSOGWFSBP-INIZCTEOSA-N 1 3 330.447 3.925 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000062253078 1034785384 /nfs/dbraw/zinc/78/53/84/1034785384.db2.gz BXRVXKOCCNGUTP-GJZGRUSLSA-N 1 3 344.421 3.684 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062174 1035422969 /nfs/dbraw/zinc/42/29/69/1035422969.db2.gz KZAFWGNURINNGY-UYAOXDASSA-N 1 3 349.950 3.593 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000666172184 1035814822 /nfs/dbraw/zinc/81/48/22/1035814822.db2.gz RXUMIIYIHIOJCU-VXGBXAGGSA-N 1 3 331.323 3.893 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172184 1035814840 /nfs/dbraw/zinc/81/48/40/1035814840.db2.gz RXUMIIYIHIOJCU-VXGBXAGGSA-N 1 3 331.323 3.893 20 0 EHADHO C[C@H]([NH2+]CCOc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492463647 1035822687 /nfs/dbraw/zinc/82/26/87/1035822687.db2.gz JDMGNKKIRXBONQ-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687505 1035973218 /nfs/dbraw/zinc/97/32/18/1035973218.db2.gz LCPPXJIEHNKGER-GHTZIAJQSA-N 1 3 348.490 3.983 20 0 EHADHO C[C@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687505 1035973229 /nfs/dbraw/zinc/97/32/29/1035973229.db2.gz LCPPXJIEHNKGER-GHTZIAJQSA-N 1 3 348.490 3.983 20 0 EHADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000464060639 1036075985 /nfs/dbraw/zinc/07/59/85/1036075985.db2.gz DMCDGYHKFILDSW-SFHLNBCPSA-N 1 3 334.548 3.826 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(Br)o1 ZINC000190772231 1036291899 /nfs/dbraw/zinc/29/18/99/1036291899.db2.gz YQJXOUSTJRTMNU-CYBMUJFWSA-N 1 3 329.282 3.786 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(Br)o1 ZINC000190772231 1036291882 /nfs/dbraw/zinc/29/18/82/1036291882.db2.gz YQJXOUSTJRTMNU-CYBMUJFWSA-N 1 3 329.282 3.786 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769514 1036638562 /nfs/dbraw/zinc/63/85/62/1036638562.db2.gz IJJNPICHZFCQRU-RLLQIKCJSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769514 1036638570 /nfs/dbraw/zinc/63/85/70/1036638570.db2.gz IJJNPICHZFCQRU-RLLQIKCJSA-N 1 3 340.515 3.762 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)c2cccnc2)CC1 ZINC000414340999 1036784449 /nfs/dbraw/zinc/78/44/49/1036784449.db2.gz UURDCBXQXAXJRY-YLJYHZDGSA-N 1 3 329.532 3.992 20 0 EHADHO CN1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000414370496 1037054230 /nfs/dbraw/zinc/05/42/30/1037054230.db2.gz WLDILIMVQRXTLX-VXKWHMMOSA-N 1 3 341.543 3.819 20 0 EHADHO FC(F)(F)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543874 1037096444 /nfs/dbraw/zinc/09/64/44/1037096444.db2.gz TVHWMRPXTCZQDD-OLZOCXBDSA-N 1 3 332.435 3.979 20 0 EHADHO COc1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312259680 1037152827 /nfs/dbraw/zinc/15/28/27/1037152827.db2.gz UEGGBWVFOUTEDP-QFBILLFUSA-N 1 3 342.458 3.835 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838565 1037246146 /nfs/dbraw/zinc/24/61/46/1037246146.db2.gz XDKOJONHRVNXJB-RHSMWYFYSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC000539838565 1037246155 /nfs/dbraw/zinc/24/61/55/1037246155.db2.gz XDKOJONHRVNXJB-RHSMWYFYSA-N 1 3 339.321 3.920 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000573913653 1037799609 /nfs/dbraw/zinc/79/96/09/1037799609.db2.gz CFXKTDJWANMMHC-OAQYLSRUSA-N 1 3 340.511 3.596 20 0 EHADHO CCc1cnccc1[C@@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540315044 1037804554 /nfs/dbraw/zinc/80/45/54/1037804554.db2.gz ADCKDTFBPJXDAR-IAGOWNOFSA-N 1 3 341.499 3.996 20 0 EHADHO C[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCCC[C@H]1C ZINC000463148376 1037814318 /nfs/dbraw/zinc/81/43/18/1037814318.db2.gz SDHGOWJTLXTHNQ-WOJBJXKFSA-N 1 3 343.559 3.546 20 0 EHADHO COCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183133759 1037932224 /nfs/dbraw/zinc/93/22/24/1037932224.db2.gz GLLBLDCFRLMPGV-QHAWAJNXSA-N 1 3 330.516 3.693 20 0 EHADHO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000689869384 1038596472 /nfs/dbraw/zinc/59/64/72/1038596472.db2.gz MJJSCFOLXWXTCD-NRSPTQNISA-N 1 3 330.516 3.693 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000539070321 1038670379 /nfs/dbraw/zinc/67/03/79/1038670379.db2.gz JWAJZFXRJYAWRF-FGTMMUONSA-N 1 3 330.516 3.715 20 0 EHADHO C[N@@H+]1CCC[C@]2(CCN(CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295781 1039321556 /nfs/dbraw/zinc/32/15/56/1039321556.db2.gz KOFMXBWSRBZATP-KRWDZBQOSA-N 1 3 326.406 3.666 20 0 EHADHO C[N@H+]1CCC[C@]2(CCN(CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC000628295781 1039321572 /nfs/dbraw/zinc/32/15/72/1039321572.db2.gz KOFMXBWSRBZATP-KRWDZBQOSA-N 1 3 326.406 3.666 20 0 EHADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(OC2CCCC2)c1 ZINC001168362730 1039365603 /nfs/dbraw/zinc/36/56/03/1039365603.db2.gz FEJXERAUPDWQLB-UHFFFAOYSA-N 1 3 328.500 3.972 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000480614706 1039759990 /nfs/dbraw/zinc/75/99/90/1039759990.db2.gz ODJHKBPFYAOGCG-DYQZNNLLSA-N 1 3 343.559 3.607 20 0 EHADHO Cc1cc(Cl)cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000549778790 1039845609 /nfs/dbraw/zinc/84/56/09/1039845609.db2.gz HPYNMAWYMKZQMK-OALUTQOASA-N 1 3 336.907 3.506 20 0 EHADHO Cc1c(C)c(OCc2ccccc2)ccc1NC(=N)SCC[NH3+] ZINC001167914951 1040190798 /nfs/dbraw/zinc/19/07/98/1040190798.db2.gz BTPILRUJOBHKDB-UHFFFAOYSA-N 1 3 329.469 3.921 20 0 EHADHO Cc1ccn2c(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cnc2c1 ZINC000486530270 1040217956 /nfs/dbraw/zinc/21/79/56/1040217956.db2.gz CWLJCLWULYYSKU-AZUAARDMSA-N 1 3 348.494 3.643 20 0 EHADHO COc1cnccc1N1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000481031719 1040276553 /nfs/dbraw/zinc/27/65/53/1040276553.db2.gz CWLLPCKMQYBFAX-UHFFFAOYSA-N 1 3 348.450 3.582 20 0 EHADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512627100 1040324516 /nfs/dbraw/zinc/32/45/16/1040324516.db2.gz ZYVMMTRDFADDPE-QMCAAQAGSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(CO)CC4(CCC4)C3)CC2)C1 ZINC000433055752 1040558841 /nfs/dbraw/zinc/55/88/41/1040558841.db2.gz BTWMYDSLCMVDBM-HKUYNNGSSA-N 1 3 334.548 3.562 20 0 EHADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000500123977 1040559362 /nfs/dbraw/zinc/55/93/62/1040559362.db2.gz MFWWKLYBHXJNJY-HXUWFJFHSA-N 1 3 331.548 3.712 20 0 EHADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000500123977 1040559376 /nfs/dbraw/zinc/55/93/76/1040559376.db2.gz MFWWKLYBHXJNJY-HXUWFJFHSA-N 1 3 331.548 3.712 20 0 EHADHO Cc1cccc([C@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000093444979 1041206367 /nfs/dbraw/zinc/20/63/67/1041206367.db2.gz FXEAOTCVFTXLLV-OAQYLSRUSA-N 1 3 339.483 3.668 20 0 EHADHO CN1CC[C@H]([NH2+]CCCN2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000571329606 1041267094 /nfs/dbraw/zinc/26/70/94/1041267094.db2.gz CDGHMIHNMQZNRP-RBUKOAKNSA-N 1 3 335.923 3.551 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CN[C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667928787 1041282306 /nfs/dbraw/zinc/28/23/06/1041282306.db2.gz JCTFBINUTHFLNY-RTWAWAEBSA-N 1 3 328.500 3.576 20 0 EHADHO OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000278839578 1041674891 /nfs/dbraw/zinc/67/48/91/1041674891.db2.gz URGCRQHYNBNVLN-LRSLUSHPSA-N 1 3 336.479 3.505 20 0 EHADHO Cc1nn(-c2cccc(C)c2)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000651623099 1041808600 /nfs/dbraw/zinc/80/86/00/1041808600.db2.gz TUIDQKDDAZLZBD-UHFFFAOYSA-N 1 3 340.515 3.653 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(F)c(Cl)c1Cl ZINC000432254340 1042429702 /nfs/dbraw/zinc/42/97/02/1042429702.db2.gz SMDZOJSJTUCLSQ-LBPRGKRZSA-N 1 3 337.266 3.579 20 0 EHADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000249633313 1042539362 /nfs/dbraw/zinc/53/93/62/1042539362.db2.gz VVNOENXGKQLILK-ZWOKBUDYSA-N 1 3 346.515 3.552 20 0 EHADHO CC(C)COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408888 1043107291 /nfs/dbraw/zinc/10/72/91/1043107291.db2.gz WIUODYYPZYWZIM-OALUTQOASA-N 1 3 348.531 3.873 20 0 EHADHO CC(C)COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408888 1043107296 /nfs/dbraw/zinc/10/72/96/1043107296.db2.gz WIUODYYPZYWZIM-OALUTQOASA-N 1 3 348.531 3.873 20 0 EHADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275856 1044517620 /nfs/dbraw/zinc/51/76/20/1044517620.db2.gz GQABWPUIZJTNOI-JOCHJYFZSA-N 1 3 336.479 3.663 20 0 EHADHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275856 1044517634 /nfs/dbraw/zinc/51/76/34/1044517634.db2.gz GQABWPUIZJTNOI-JOCHJYFZSA-N 1 3 336.479 3.663 20 0 EHADHO Cc1cc2cc([C@@H](C)[NH2+]CCCCN3CCN(C)CC3)oc2cc1C ZINC000154355771 1125714366 /nfs/dbraw/zinc/71/43/66/1125714366.db2.gz XDLQYKMEXIMMSA-GOSISDBHSA-N 1 3 343.515 3.728 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000155058515 1125781037 /nfs/dbraw/zinc/78/10/37/1125781037.db2.gz SSWIPJQUCJBCAO-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000155058515 1125781043 /nfs/dbraw/zinc/78/10/43/1125781043.db2.gz SSWIPJQUCJBCAO-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)OC(C)C ZINC000623495322 1126967987 /nfs/dbraw/zinc/96/79/87/1126967987.db2.gz ZDWHERZRCDTGLI-LPHOPBHVSA-N 1 3 334.504 3.624 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757084 1127115593 /nfs/dbraw/zinc/11/55/93/1127115593.db2.gz NRQIAICQVMWOFV-LSDHHAIUSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757084 1127115597 /nfs/dbraw/zinc/11/55/97/1127115597.db2.gz NRQIAICQVMWOFV-LSDHHAIUSA-N 1 3 339.886 3.520 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180633574 1127177517 /nfs/dbraw/zinc/17/75/17/1127177517.db2.gz CDKNFQVFSLHMEQ-GOSISDBHSA-N 1 3 340.515 3.811 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180633574 1127177521 /nfs/dbraw/zinc/17/75/21/1127177521.db2.gz CDKNFQVFSLHMEQ-GOSISDBHSA-N 1 3 340.515 3.811 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(C)ccc1C ZINC000623920898 1127217087 /nfs/dbraw/zinc/21/70/87/1127217087.db2.gz BLTKVQCIKWPOEG-PWRODBHTSA-N 1 3 330.516 3.722 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000624119900 1127256070 /nfs/dbraw/zinc/25/60/70/1127256070.db2.gz MANRNNJVCBLDSS-KGLIPLIRSA-N 1 3 325.294 3.832 20 0 EHADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OCC ZINC000624119523 1127255606 /nfs/dbraw/zinc/25/56/06/1127255606.db2.gz DLRGODDVIUVZCN-SJORKVTESA-N 1 3 334.504 3.867 20 0 EHADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)N1CCCCC1 ZINC000184498874 1127406539 /nfs/dbraw/zinc/40/65/39/1127406539.db2.gz ZBMSTGRKQWSCNH-MSOLQXFVSA-N 1 3 326.488 3.787 20 0 EHADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)N1CCCCC1 ZINC000184498855 1127406720 /nfs/dbraw/zinc/40/67/20/1127406720.db2.gz ZBMSTGRKQWSCNH-ROUUACIJSA-N 1 3 326.488 3.787 20 0 EHADHO Clc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166278464 1128132763 /nfs/dbraw/zinc/13/27/63/1128132763.db2.gz HFLXCOHBGJCAHA-RBUKOAKNSA-N 1 3 348.918 3.605 20 0 EHADHO Clc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166278464 1128132764 /nfs/dbraw/zinc/13/27/64/1128132764.db2.gz HFLXCOHBGJCAHA-RBUKOAKNSA-N 1 3 348.918 3.605 20 0 EHADHO Clc1ccc(OCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166387621 1128453553 /nfs/dbraw/zinc/45/35/53/1128453553.db2.gz VQJQXESDEAJYQM-LSDHHAIUSA-N 1 3 343.298 3.979 20 0 EHADHO Clc1ccc(OCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166387621 1128453555 /nfs/dbraw/zinc/45/35/55/1128453555.db2.gz VQJQXESDEAJYQM-LSDHHAIUSA-N 1 3 343.298 3.979 20 0 EHADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903163706 1128461123 /nfs/dbraw/zinc/46/11/23/1128461123.db2.gz HBQVATIXOIQFRY-KEAPPQJHSA-N 1 3 328.500 3.636 20 0 EHADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)c1ccccc1 ZINC000903163706 1128461126 /nfs/dbraw/zinc/46/11/26/1128461126.db2.gz HBQVATIXOIQFRY-KEAPPQJHSA-N 1 3 328.500 3.636 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303678118 1128687148 /nfs/dbraw/zinc/68/71/48/1128687148.db2.gz IGTOTMAOJFCXAO-RBUKOAKNSA-N 1 3 338.536 3.696 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303678118 1128687150 /nfs/dbraw/zinc/68/71/50/1128687150.db2.gz IGTOTMAOJFCXAO-RBUKOAKNSA-N 1 3 338.536 3.696 20 0 EHADHO Cc1cc(C)cc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000110435409 1128786520 /nfs/dbraw/zinc/78/65/20/1128786520.db2.gz AVLFQISKSZXESP-RTBURBONSA-N 1 3 330.516 3.625 20 0 EHADHO CC(C)CC[NH+]1CCC(CNCc2c(Cl)nc(Cl)n2C)CC1 ZINC000084051406 1120143271 /nfs/dbraw/zinc/14/32/71/1120143271.db2.gz XDFWQLPFMHUVBO-UHFFFAOYSA-N 1 3 347.334 3.575 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137070416 1120147731 /nfs/dbraw/zinc/14/77/31/1120147731.db2.gz QWRCIKIHGKYXJE-UHFFFAOYSA-N 1 3 333.701 3.780 20 0 EHADHO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192739732 1120746322 /nfs/dbraw/zinc/74/63/22/1120746322.db2.gz RKDPTORDABRHQA-NRFANRHFSA-N 1 3 331.548 3.732 20 0 EHADHO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192739732 1120746326 /nfs/dbraw/zinc/74/63/26/1120746326.db2.gz RKDPTORDABRHQA-NRFANRHFSA-N 1 3 331.548 3.732 20 0 EHADHO CC1CC[NH+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000494920417 1120905139 /nfs/dbraw/zinc/90/51/39/1120905139.db2.gz SHXMAOOJKUDJIX-SFHVURJKSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCc2ccc(Br)cc21 ZINC000356681324 1128995385 /nfs/dbraw/zinc/99/53/85/1128995385.db2.gz PLXIZWMLRRUXAF-MLGOLLRUSA-N 1 3 325.294 3.756 20 0 EHADHO Brc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997021 1122035117 /nfs/dbraw/zinc/03/51/17/1122035117.db2.gz PYCBLCFGNCCBBC-XAWIXRBMSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997021 1122035122 /nfs/dbraw/zinc/03/51/22/1122035122.db2.gz PYCBLCFGNCCBBC-XAWIXRBMSA-N 1 3 349.316 3.912 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128985201 1122709645 /nfs/dbraw/zinc/70/96/45/1122709645.db2.gz BEQSJPQQMQQBQC-QUCCMNQESA-N 1 3 348.531 3.700 20 0 EHADHO CN(C)CC[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000556094026 1122809252 /nfs/dbraw/zinc/80/92/52/1122809252.db2.gz ONFCPBFQSAKMEZ-UFYCRDLUSA-N 1 3 331.548 3.778 20 0 EHADHO CCc1ccc(CNCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000130345656 1122940626 /nfs/dbraw/zinc/94/06/26/1122940626.db2.gz KPDACISRXUWCII-CALCHBBNSA-N 1 3 342.483 3.741 20 0 EHADHO CCc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000130345656 1122940629 /nfs/dbraw/zinc/94/06/29/1122940629.db2.gz KPDACISRXUWCII-CALCHBBNSA-N 1 3 342.483 3.741 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113148 1123045892 /nfs/dbraw/zinc/04/58/92/1123045892.db2.gz JDHJCMUNKCTLQC-RYUDHWBXSA-N 1 3 341.268 3.723 20 0 EHADHO COCc1ccccc1/C=C(\C)CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000556868152 1123159154 /nfs/dbraw/zinc/15/91/54/1123159154.db2.gz HWVOZESTEHZTPL-VVDGQQEKSA-N 1 3 328.500 3.652 20 0 EHADHO COCc1ccccc1/C=C(\C)CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000556868152 1123159157 /nfs/dbraw/zinc/15/91/57/1123159157.db2.gz HWVOZESTEHZTPL-VVDGQQEKSA-N 1 3 328.500 3.652 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000246956856 1124572510 /nfs/dbraw/zinc/57/25/10/1124572510.db2.gz IQAXIOHVEUTGLK-MGPQQGTHSA-N 1 3 330.925 3.942 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247199064 1124593808 /nfs/dbraw/zinc/59/38/08/1124593808.db2.gz WEFXZJZOWPCFBW-HZSPNIEDSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247199064 1124593829 /nfs/dbraw/zinc/59/38/29/1124593829.db2.gz WEFXZJZOWPCFBW-HZSPNIEDSA-N 1 3 330.394 3.545 20 0 EHADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248394718 1124656303 /nfs/dbraw/zinc/65/63/03/1124656303.db2.gz FUKQKQKHRNXPRP-PWRODBHTSA-N 1 3 344.543 3.675 20 0 EHADHO COc1cc(F)cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000090972276 1124947161 /nfs/dbraw/zinc/94/71/61/1124947161.db2.gz WWPMQZROZSEOJG-HNNXBMFYSA-N 1 3 346.446 3.626 20 0 EHADHO CCCN(Cc1ccc(Br)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836825 1125032683 /nfs/dbraw/zinc/03/26/83/1125032683.db2.gz YIBNXYBFCRKSBN-CQSZACIVSA-N 1 3 325.294 3.579 20 0 EHADHO CS[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000922244915 1129394147 /nfs/dbraw/zinc/39/41/47/1129394147.db2.gz ZEHQVICDUPUOCL-RBUKOAKNSA-N 1 3 333.545 3.557 20 0 EHADHO C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCN1CCCC1 ZINC000499914603 1129567065 /nfs/dbraw/zinc/56/70/65/1129567065.db2.gz UWZPHSFHRLJLSI-AWEZNQCLSA-N 1 3 325.294 3.928 20 0 EHADHO C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CCCC1 ZINC000499914603 1129567068 /nfs/dbraw/zinc/56/70/68/1129567068.db2.gz UWZPHSFHRLJLSI-AWEZNQCLSA-N 1 3 325.294 3.928 20 0 EHADHO CCCn1c2ccccc2nc1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC000922848520 1129690531 /nfs/dbraw/zinc/69/05/31/1129690531.db2.gz VMYQWLUTFAUYHP-UHFFFAOYSA-N 1 3 340.515 3.943 20 0 EHADHO CCc1noc([C@H]2CC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC000922870721 1129701663 /nfs/dbraw/zinc/70/16/63/1129701663.db2.gz UHAPNNPHVMVGKK-RDJZCZTQSA-N 1 3 346.519 3.655 20 0 EHADHO CCc1noc([C@H]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)n1 ZINC000922870721 1129701668 /nfs/dbraw/zinc/70/16/68/1129701668.db2.gz UHAPNNPHVMVGKK-RDJZCZTQSA-N 1 3 346.519 3.655 20 0 EHADHO C[C@@H]1C[C@H](NC[C@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139198 1130388816 /nfs/dbraw/zinc/38/88/16/1130388816.db2.gz NKIDNLUDAMJJDY-AHRSYUTCSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@H](NC[C@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139198 1130388822 /nfs/dbraw/zinc/38/88/22/1130388822.db2.gz NKIDNLUDAMJJDY-AHRSYUTCSA-N 1 3 344.524 3.598 20 0 EHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172939274 1131912659 /nfs/dbraw/zinc/91/26/59/1131912659.db2.gz OYBVYGIEDSHQCI-NHCUHLMSSA-N 1 3 330.516 3.931 20 0 EHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172939274 1131912662 /nfs/dbraw/zinc/91/26/62/1131912662.db2.gz OYBVYGIEDSHQCI-NHCUHLMSSA-N 1 3 330.516 3.931 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001173084993 1131962669 /nfs/dbraw/zinc/96/26/69/1131962669.db2.gz FYELGTSYWHBJCU-HIFRSBDPSA-N 1 3 330.394 3.590 20 0 EHADHO CCSC[C@@H](C)N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001173298983 1132032949 /nfs/dbraw/zinc/03/29/49/1132032949.db2.gz CVYOOFULPZAEMU-MRXNPFEDSA-N 1 3 329.513 3.807 20 0 EHADHO CC(=O)Oc1ccc(C2CCC([NH2+]CC[C@H]3CCCN3C)CC2)cc1 ZINC001173783502 1132147123 /nfs/dbraw/zinc/14/71/23/1132147123.db2.gz ALGZFQRUQGGIRD-LYBXBRPPSA-N 1 3 344.499 3.712 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000386332201 1132504671 /nfs/dbraw/zinc/50/46/71/1132504671.db2.gz MNMLMRRQLKLNSW-DZFGPLHGSA-N 1 3 335.495 3.959 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccncc1 ZINC000509455346 1132570456 /nfs/dbraw/zinc/57/04/56/1132570456.db2.gz POJLDEJYVVMLQE-VHTFYLNKSA-N 1 3 335.495 3.985 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccncc1 ZINC000509455346 1132570462 /nfs/dbraw/zinc/57/04/62/1132570462.db2.gz POJLDEJYVVMLQE-VHTFYLNKSA-N 1 3 335.495 3.985 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001169122591 1132664023 /nfs/dbraw/zinc/66/40/23/1132664023.db2.gz ATTIIXJQESDGEE-ZHCJQAHYSA-N 1 3 335.289 3.520 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001169122591 1132664027 /nfs/dbraw/zinc/66/40/27/1132664027.db2.gz ATTIIXJQESDGEE-ZHCJQAHYSA-N 1 3 335.289 3.520 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C3(C(F)(F)F)N=N3)cc1)C2 ZINC001169107811 1132669615 /nfs/dbraw/zinc/66/96/15/1132669615.db2.gz KNXXKALRQAJPQY-QKDCVEJESA-N 1 3 338.377 3.582 20 0 EHADHO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1ccc([C@@H](C)N)n1 ZINC001169234855 1132703203 /nfs/dbraw/zinc/70/32/03/1132703203.db2.gz LSUHZKLSZYTYSZ-GFCCVEGCSA-N 1 3 340.393 3.753 20 0 EHADHO Cc1ccc(F)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC001206024580 1132889873 /nfs/dbraw/zinc/88/98/73/1132889873.db2.gz KIXZGFZVRZUESQ-STQMWFEESA-N 1 3 343.284 3.703 20 0 EHADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001177267760 1133051122 /nfs/dbraw/zinc/05/11/22/1133051122.db2.gz NRRMODNJOYRFKI-KNQAVFIVSA-N 1 3 341.543 3.516 20 0 EHADHO CC(=O)Nc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000067668401 1133064717 /nfs/dbraw/zinc/06/47/17/1133064717.db2.gz NDQBRDISNUWSBE-UHFFFAOYSA-N 1 3 339.483 3.775 20 0 EHADHO CC(=O)Nc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000067668401 1133064721 /nfs/dbraw/zinc/06/47/21/1133064721.db2.gz NDQBRDISNUWSBE-UHFFFAOYSA-N 1 3 339.483 3.775 20 0 EHADHO C[C@]1(C[NH2+]Cc2ccc3c(n2)CCC3)CCN(Cc2ccccc2)C1 ZINC001178606080 1133185491 /nfs/dbraw/zinc/18/54/91/1133185491.db2.gz VIBOFKMWLLVJEU-JOCHJYFZSA-N 1 3 335.495 3.572 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccn3C)C[C@H]21 ZINC001203260655 1133354510 /nfs/dbraw/zinc/35/45/10/1133354510.db2.gz ZPPXREJJFBQPIK-PWIZWCRZSA-N 1 3 343.540 3.819 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccn3C)C[C@H]21 ZINC001203260655 1133354517 /nfs/dbraw/zinc/35/45/17/1133354517.db2.gz ZPPXREJJFBQPIK-PWIZWCRZSA-N 1 3 343.540 3.819 20 0 EHADHO C[C@@H](CC[NH2+]CCc1cccc(OC(F)(F)F)c1)N1CCCCC1 ZINC001180809614 1133418931 /nfs/dbraw/zinc/41/89/31/1133418931.db2.gz GZUQNVWWYRSGDD-HNNXBMFYSA-N 1 3 344.421 3.982 20 0 EHADHO C[C@@H](CCNCCc1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001180809614 1133418934 /nfs/dbraw/zinc/41/89/34/1133418934.db2.gz GZUQNVWWYRSGDD-HNNXBMFYSA-N 1 3 344.421 3.982 20 0 EHADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534532 1133498231 /nfs/dbraw/zinc/49/82/31/1133498231.db2.gz MGGRYHJRAKUGQI-SJORKVTESA-N 1 3 326.406 3.708 20 0 EHADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534532 1133498234 /nfs/dbraw/zinc/49/82/34/1133498234.db2.gz MGGRYHJRAKUGQI-SJORKVTESA-N 1 3 326.406 3.708 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482880 1133687867 /nfs/dbraw/zinc/68/78/67/1133687867.db2.gz FIHLTWSQMQWHSJ-COPCDDAFSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482880 1133687870 /nfs/dbraw/zinc/68/78/70/1133687870.db2.gz FIHLTWSQMQWHSJ-COPCDDAFSA-N 1 3 338.495 3.671 20 0 EHADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H](C)CCCC(C)C)CC2)C1 ZINC001170090156 1134177447 /nfs/dbraw/zinc/17/74/47/1134177447.db2.gz HPQQFLHSWJAQGI-QZTJIDSGSA-N 1 3 338.536 3.551 20 0 EHADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H](C)CCCC(C)C)CC2)C1 ZINC001170090156 1134177454 /nfs/dbraw/zinc/17/74/54/1134177454.db2.gz HPQQFLHSWJAQGI-QZTJIDSGSA-N 1 3 338.536 3.551 20 0 EHADHO Cc1ccc2nc(CNC3CCC([NH+]4CCCCC4)CC3)cn2c1 ZINC000790552712 1134433725 /nfs/dbraw/zinc/43/37/25/1134433725.db2.gz DRYLWUONTBQOLA-UHFFFAOYSA-N 1 3 326.488 3.529 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)ccc1OC ZINC000775390912 1134705912 /nfs/dbraw/zinc/70/59/12/1134705912.db2.gz RNLFGYLRRSMUDU-OXQOHEQNSA-N 1 3 334.504 3.614 20 0 EHADHO Cc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1Br ZINC001190494581 1134713889 /nfs/dbraw/zinc/71/38/89/1134713889.db2.gz OULWGYFNQIVFOW-UHFFFAOYSA-N 1 3 339.321 3.921 20 0 EHADHO C[C@H](O)CC[N@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078255 1134789530 /nfs/dbraw/zinc/78/95/30/1134789530.db2.gz RFAUMBOCCXFWQI-SIKLNZKXSA-N 1 3 340.511 3.605 20 0 EHADHO C[C@H](O)CC[N@@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078255 1134789537 /nfs/dbraw/zinc/78/95/37/1134789537.db2.gz RFAUMBOCCXFWQI-SIKLNZKXSA-N 1 3 340.511 3.605 20 0 EHADHO CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000716732683 1135180445 /nfs/dbraw/zinc/18/04/45/1135180445.db2.gz QIGBKCMCOPLEAZ-FKVLARQCSA-N 1 3 342.527 3.834 20 0 EHADHO CCCCN(C[C@H]1COC(C)(C)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545372 1135579815 /nfs/dbraw/zinc/57/98/15/1135579815.db2.gz NNWOJRXXIPWWGQ-INIZCTEOSA-N 1 3 326.525 3.549 20 0 EHADHO CC[N@H+](CCCN1CCCC1)Cc1sc2nc(C)nc(C)c2c1C ZINC000809749673 1135885023 /nfs/dbraw/zinc/88/50/23/1135885023.db2.gz JCYCVUJEQUYSSZ-UHFFFAOYSA-N 1 3 346.544 3.924 20 0 EHADHO CC[N@@H+](CCCN1CCCC1)Cc1sc2nc(C)nc(C)c2c1C ZINC000809749673 1135885025 /nfs/dbraw/zinc/88/50/25/1135885025.db2.gz JCYCVUJEQUYSSZ-UHFFFAOYSA-N 1 3 346.544 3.924 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766094 1135888383 /nfs/dbraw/zinc/88/83/83/1135888383.db2.gz URCWMHPUGJPNLJ-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766094 1135888385 /nfs/dbraw/zinc/88/83/85/1135888385.db2.gz URCWMHPUGJPNLJ-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001199274989 1135889365 /nfs/dbraw/zinc/88/93/65/1135889365.db2.gz AVOQITYRYJKFBP-FCHUYYIVSA-N 1 3 343.559 3.738 20 0 EHADHO C[C@@H](C[NH2+]CC(C)(C)CN(C)Cc1ccccc1)N1CCC(C)CC1 ZINC001199851426 1135932588 /nfs/dbraw/zinc/93/25/88/1135932588.db2.gz PCYGRJYJZPNWRX-FQEVSTJZSA-N 1 3 345.575 3.855 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC(C)(C)C2)CCN1Cc1ccccc1 ZINC001202176391 1136105513 /nfs/dbraw/zinc/10/55/13/1136105513.db2.gz PYRFQSVLTTYEFT-TZIWHRDSSA-N 1 3 343.559 3.751 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000813881854 1136372154 /nfs/dbraw/zinc/37/21/54/1136372154.db2.gz WLARBZXTQVEBBY-AMGDKJTDSA-N 1 3 341.543 3.644 20 0 EHADHO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)(C)O ZINC000815652068 1136626750 /nfs/dbraw/zinc/62/67/50/1136626750.db2.gz NTBOQGIOIDNCMJ-UZLBHIALSA-N 1 3 348.531 3.881 20 0 EHADHO Cc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000817894766 1136843992 /nfs/dbraw/zinc/84/39/92/1136843992.db2.gz ODBWPDKWBPBSPU-QOKNQOGYSA-N 1 3 328.481 3.963 20 0 EHADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Br)nc1 ZINC000817984038 1136855511 /nfs/dbraw/zinc/85/55/11/1136855511.db2.gz VGLJPHSKMBBMDU-BBRMVZONSA-N 1 3 348.288 3.975 20 0 EHADHO CC(C)c1cc(OCc2ccccc2)ccc1N[C@H](N)CCC[NH3+] ZINC001170902862 1136874665 /nfs/dbraw/zinc/87/46/65/1136874665.db2.gz GHJJRVOEDYYNGZ-FQEVSTJZSA-N 1 3 327.472 3.825 20 0 EHADHO Cc1cc(F)ccc1[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000818943283 1136893534 /nfs/dbraw/zinc/89/35/34/1136893534.db2.gz QFKSVQLBVTXXMF-NRFANRHFSA-N 1 3 342.458 3.553 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000818982447 1136896179 /nfs/dbraw/zinc/89/61/79/1136896179.db2.gz MLMAQIXZABZNKC-RBBKRZOGSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982447 1136896181 /nfs/dbraw/zinc/89/61/81/1136896181.db2.gz MLMAQIXZABZNKC-RBBKRZOGSA-N 1 3 338.495 3.530 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2cccc3ccccc32)CC1 ZINC000818970146 1136900308 /nfs/dbraw/zinc/90/03/08/1136900308.db2.gz ULTKTXJJXWZFRD-FQEVSTJZSA-N 1 3 326.484 3.726 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819078551 1136911380 /nfs/dbraw/zinc/91/13/80/1136911380.db2.gz JQDBCPVDTACUEL-HRAATJIYSA-N 1 3 342.458 3.674 20 0 EHADHO C[NH+](C)CC[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000819079408 1136911714 /nfs/dbraw/zinc/91/17/14/1136911714.db2.gz AABSIQREPGZRBB-CVEARBPZSA-N 1 3 346.437 3.695 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000173420313 1137096170 /nfs/dbraw/zinc/09/61/70/1137096170.db2.gz WWPYBXNYYDDKRI-ZRGWGRIASA-N 1 3 340.458 3.752 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2cc(F)ncc2F)C[N@@H+]1Cc1ccccc1 ZINC000824037377 1137122428 /nfs/dbraw/zinc/12/24/28/1137122428.db2.gz LNQOOPBEALPNKM-WBVHZDCISA-N 1 3 345.437 3.750 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037377 1137122430 /nfs/dbraw/zinc/12/24/30/1137122430.db2.gz LNQOOPBEALPNKM-WBVHZDCISA-N 1 3 345.437 3.750 20 0 EHADHO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246347975 1137152543 /nfs/dbraw/zinc/15/25/43/1137152543.db2.gz KNHBZWIMDGJUSG-WFASDCNBSA-N 1 3 325.294 3.500 20 0 EHADHO Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCCCCC[NH3+] ZINC000846218774 1137342145 /nfs/dbraw/zinc/34/21/45/1137342145.db2.gz UYPWQEGVOIXVTO-UHFFFAOYSA-N 1 3 328.504 3.748 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)C1 ZINC000866509901 1137360045 /nfs/dbraw/zinc/36/00/45/1137360045.db2.gz GCRQROAPSRVBAC-LGYWMIHWSA-N 1 3 334.548 3.824 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@H](C)C1 ZINC000339095010 1137467456 /nfs/dbraw/zinc/46/74/56/1137467456.db2.gz CTGSYGXWTZCWJT-DYESRHJHSA-N 1 3 347.547 3.740 20 0 EHADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000122982379 1137479703 /nfs/dbraw/zinc/47/97/03/1137479703.db2.gz SVLFYTXRRGQCDH-KRWDZBQOSA-N 1 3 330.516 3.958 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ccncc3)CC2)CC1(C)C ZINC001171631123 1137499868 /nfs/dbraw/zinc/49/98/68/1137499868.db2.gz FAFVHSQOFTURMY-UHFFFAOYSA-N 1 3 331.504 3.576 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ccncc3)CC2)CC1(C)C ZINC001171631123 1137499869 /nfs/dbraw/zinc/49/98/69/1137499869.db2.gz FAFVHSQOFTURMY-UHFFFAOYSA-N 1 3 331.504 3.576 20 0 EHADHO CCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172067824 1137534328 /nfs/dbraw/zinc/53/43/28/1137534328.db2.gz ODPJNDDUHMUTDV-LRSLUSHPSA-N 1 3 341.543 3.646 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125306 1137535134 /nfs/dbraw/zinc/53/51/34/1137535134.db2.gz PGKSAFZHRXWICH-MANSERQUSA-N 1 3 334.504 3.931 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125306 1137535135 /nfs/dbraw/zinc/53/51/35/1137535135.db2.gz PGKSAFZHRXWICH-MANSERQUSA-N 1 3 334.504 3.931 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(-c3nccs3)cc1)C2 ZINC001172110275 1137537324 /nfs/dbraw/zinc/53/73/24/1137537324.db2.gz MEMQHZKOFUQZOI-BCDXTJNWSA-N 1 3 327.497 3.915 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(-c3nccs3)cc1)C2 ZINC001172110275 1137537326 /nfs/dbraw/zinc/53/73/26/1137537326.db2.gz MEMQHZKOFUQZOI-BCDXTJNWSA-N 1 3 327.497 3.915 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3nccs3)cc1)C2 ZINC001172110275 1137537328 /nfs/dbraw/zinc/53/73/28/1137537328.db2.gz MEMQHZKOFUQZOI-BCDXTJNWSA-N 1 3 327.497 3.915 20 0 EHADHO NC1(c2ccc(F)cc2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172196115 1137543117 /nfs/dbraw/zinc/54/31/17/1137543117.db2.gz FBNISVQVJQPEJE-GOSISDBHSA-N 1 3 342.483 3.793 20 0 EHADHO COc1ccccc1CC1(N)CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172371484 1137555197 /nfs/dbraw/zinc/55/51/97/1137555197.db2.gz UNAJNFGYEUEQIZ-ZIFCJYIRSA-N 1 3 330.516 3.856 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000873274591 1137596060 /nfs/dbraw/zinc/59/60/60/1137596060.db2.gz FBFJIAVPWZUQTM-HRAATJIYSA-N 1 3 338.499 3.696 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000876935670 1137665707 /nfs/dbraw/zinc/66/57/07/1137665707.db2.gz FRJFYOUVFQATSL-DOWNOZBLSA-N 1 3 332.469 3.667 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2ccc(Cl)nn2)C[N@@H+]1Cc1ccccc1 ZINC000877119862 1137670736 /nfs/dbraw/zinc/67/07/36/1137670736.db2.gz BSPYYARBUWVNIU-DOTOQJQBSA-N 1 3 344.890 3.520 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119862 1137670737 /nfs/dbraw/zinc/67/07/37/1137670737.db2.gz BSPYYARBUWVNIU-DOTOQJQBSA-N 1 3 344.890 3.520 20 0 EHADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000880476078 1137779886 /nfs/dbraw/zinc/77/98/86/1137779886.db2.gz NGTASQRYUVWAPL-UXHICEINSA-N 1 3 328.500 3.857 20 0 EHADHO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC001202611175 1137883473 /nfs/dbraw/zinc/88/34/73/1137883473.db2.gz FTVPYHQWTUQSBF-UYAOXDASSA-N 1 3 331.548 3.750 20 0 EHADHO CN(C)C[C@@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515971 1137913483 /nfs/dbraw/zinc/91/34/83/1137913483.db2.gz MSBLQZFVAHZRGB-IBGZPJMESA-N 1 3 338.495 3.676 20 0 EHADHO CN(C)C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515971 1137913484 /nfs/dbraw/zinc/91/34/84/1137913484.db2.gz MSBLQZFVAHZRGB-IBGZPJMESA-N 1 3 338.495 3.676 20 0 EHADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000333211102 1137958281 /nfs/dbraw/zinc/95/82/81/1137958281.db2.gz ZROBXATVDVKKQK-WMZOPIPTSA-N 1 3 348.874 3.805 20 0 EHADHO CCC1(O)CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886543400 1138093756 /nfs/dbraw/zinc/09/37/56/1138093756.db2.gz OBOFOXVSGWSOOG-OVQOIFFZSA-N 1 3 342.527 3.713 20 0 EHADHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCC1CC1 ZINC000886624868 1138103198 /nfs/dbraw/zinc/10/31/98/1138103198.db2.gz BUPXQMCMKRNFOG-ACRUOGEOSA-N 1 3 342.527 3.834 20 0 EHADHO Cc1nc(C2CC[NH+](CC(=O)N[C@H](C)CCCC(C)C)CC2)[nH]c1C ZINC000886671962 1138112289 /nfs/dbraw/zinc/11/22/89/1138112289.db2.gz HABODJJCDVZKOT-OAHLLOKOSA-N 1 3 348.535 3.537 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000093942629 1138243168 /nfs/dbraw/zinc/24/31/68/1138243168.db2.gz MAHGGZCAWWJOBR-QGZVFWFLSA-N 1 3 341.499 3.544 20 0 EHADHO CN(c1ccccc1CNCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000123012037 1138265136 /nfs/dbraw/zinc/26/51/36/1138265136.db2.gz YXCFWMFRVPAALW-UHFFFAOYSA-N 1 3 341.474 3.646 20 0 EHADHO Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)c2ccccc2n1 ZINC000264177243 1138434722 /nfs/dbraw/zinc/43/47/22/1138434722.db2.gz APPBWVUTODVBQM-UHFFFAOYSA-N 1 3 325.456 3.600 20 0 EHADHO c1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133076487 1138618765 /nfs/dbraw/zinc/61/87/65/1138618765.db2.gz LQCSWNLYLWYJAI-DYESRHJHSA-N 1 3 328.500 3.545 20 0 EHADHO CCCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000151108288 1139009545 /nfs/dbraw/zinc/00/95/45/1139009545.db2.gz BBIFAXPKSWZFSG-KRWDZBQOSA-N 1 3 349.950 3.626 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)nc1 ZINC000179107387 1139734643 /nfs/dbraw/zinc/73/46/43/1139734643.db2.gz IWCXOIMXPNWGSE-AWEZNQCLSA-N 1 3 333.863 3.526 20 0 EHADHO C[NH+](C)Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186406051 1140201892 /nfs/dbraw/zinc/20/18/92/1140201892.db2.gz WWKIQKXDLCZALL-UHFFFAOYSA-N 1 3 340.467 3.683 20 0 EHADHO Cc1c([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cnn1C(C)C ZINC000191184271 1140443426 /nfs/dbraw/zinc/44/34/26/1140443426.db2.gz RXABXNKFSDFUOJ-INIZCTEOSA-N 1 3 344.503 3.564 20 0 EHADHO C[C@H]1C[C@H]([NH2+]C2CCN(C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000269009992 1141044812 /nfs/dbraw/zinc/04/48/12/1141044812.db2.gz NKCHOCMGAZRHRE-GHTZIAJQSA-N 1 3 341.543 3.646 20 0 EHADHO Cc1cc(C)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C ZINC000271528929 1141389053 /nfs/dbraw/zinc/38/90/53/1141389053.db2.gz QPTFKXAOEPMIOV-DZFGPLHGSA-N 1 3 330.516 3.640 20 0 EHADHO COc1cc(C[NH2+]CC2(N)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000904449922 1032059162 /nfs/dbraw/zinc/05/91/62/1032059162.db2.gz NCGHREGZXLBSDS-UHFFFAOYSA-N 1 3 346.858 3.509 20 0 EHADHO CC1(C)[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@@H]1OCc1ccccc1 ZINC000643548421 1014512529 /nfs/dbraw/zinc/51/25/29/1014512529.db2.gz PCIQXNLQRVURQL-OTWHNJEPSA-N 1 3 328.500 3.635 20 0 EHADHO COCC[NH+]1CCC(N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000608376101 1033660480 /nfs/dbraw/zinc/66/04/80/1033660480.db2.gz AGFVWWOUPMGUMN-GFCCVEGCSA-N 1 3 331.287 3.755 20 0 EHADHO C[C@H](CN1CCCCC1)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449079440 1032169499 /nfs/dbraw/zinc/16/94/99/1032169499.db2.gz YVRFFHFQKHRHPR-WOJBJXKFSA-N 1 3 343.559 3.546 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)[C@@H](C)O1 ZINC000449130452 1032222776 /nfs/dbraw/zinc/22/27/76/1032222776.db2.gz ZCGIAPFFTNYBRM-CLCXKQKWSA-N 1 3 336.907 3.708 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000536844105 1032338219 /nfs/dbraw/zinc/33/82/19/1032338219.db2.gz HFQPRUPGSRBDBH-HSALFYBXSA-N 1 3 348.918 3.685 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660015 1032385568 /nfs/dbraw/zinc/38/55/68/1032385568.db2.gz NTODKEPYQCSCJI-GOSISDBHSA-N 1 3 348.494 3.520 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459682911 1032410060 /nfs/dbraw/zinc/41/00/60/1032410060.db2.gz BBLIDEIHGDQBDQ-YADHBBJMSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459682911 1032410064 /nfs/dbraw/zinc/41/00/64/1032410064.db2.gz BBLIDEIHGDQBDQ-YADHBBJMSA-N 1 3 343.559 3.671 20 0 EHADHO CCOc1cccc(CNCC[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000459744895 1032458267 /nfs/dbraw/zinc/45/82/67/1032458267.db2.gz YFUGLNFPNOKWSW-CQSZACIVSA-N 1 3 342.430 3.508 20 0 EHADHO CCOc1cccc(CNCC[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000459744895 1032458277 /nfs/dbraw/zinc/45/82/77/1032458277.db2.gz YFUGLNFPNOKWSW-CQSZACIVSA-N 1 3 342.430 3.508 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000423037786 1032492487 /nfs/dbraw/zinc/49/24/87/1032492487.db2.gz BXJYDNREYBYUMY-QQGDVQBRSA-N 1 3 345.849 3.792 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090520998 1032582718 /nfs/dbraw/zinc/58/27/18/1032582718.db2.gz PMKGWWNPXBKELU-STZQEDGTSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090520998 1032582728 /nfs/dbraw/zinc/58/27/28/1032582728.db2.gz PMKGWWNPXBKELU-STZQEDGTSA-N 1 3 338.495 3.671 20 0 EHADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000537294388 1032602789 /nfs/dbraw/zinc/60/27/89/1032602789.db2.gz CCPDUDRDYUXMCM-QGZVFWFLSA-N 1 3 343.515 3.673 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449484168 1032636637 /nfs/dbraw/zinc/63/66/37/1032636637.db2.gz LKBKZSSIADOREY-FXAWDEMLSA-N 1 3 329.532 3.955 20 0 EHADHO C[C@@H]1CN(Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@H](C)O1 ZINC000340406060 1017414083 /nfs/dbraw/zinc/41/40/83/1017414083.db2.gz PTHZVVNQXIPTCE-GASCZTMLSA-N 1 3 348.874 3.832 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@H](C)O1 ZINC000340406060 1017414091 /nfs/dbraw/zinc/41/40/91/1017414091.db2.gz PTHZVVNQXIPTCE-GASCZTMLSA-N 1 3 348.874 3.832 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@H](C)O1 ZINC000340406060 1017414098 /nfs/dbraw/zinc/41/40/98/1017414098.db2.gz PTHZVVNQXIPTCE-GASCZTMLSA-N 1 3 348.874 3.832 20 0 EHADHO CO[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078204 1017508097 /nfs/dbraw/zinc/50/80/97/1017508097.db2.gz FZLREPOPZISFSP-HSALFYBXSA-N 1 3 328.431 3.596 20 0 EHADHO Clc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000580326545 1019043465 /nfs/dbraw/zinc/04/34/65/1019043465.db2.gz UCYXOEVCPGDBPQ-GASCZTMLSA-N 1 3 347.915 3.895 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cccc(C(C)(C)C)c1)C2 ZINC000513169083 1019357270 /nfs/dbraw/zinc/35/72/70/1019357270.db2.gz ZUAYVCRQCHUUSV-DFNIBXOVSA-N 1 3 330.516 3.920 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cccc(C(C)(C)C)c1)C2 ZINC000513169083 1019357289 /nfs/dbraw/zinc/35/72/89/1019357289.db2.gz ZUAYVCRQCHUUSV-DFNIBXOVSA-N 1 3 330.516 3.920 20 0 EHADHO CCC1CCC([N@H+](CCCN2CCN(C(C)C)CC2)C2CC2)CC1 ZINC000501114197 1020716290 /nfs/dbraw/zinc/71/62/90/1020716290.db2.gz CQALQONFITVXMB-UHFFFAOYSA-N 1 3 335.580 3.836 20 0 EHADHO CCC1CCC([N@@H+](CCCN2CCN(C(C)C)CC2)C2CC2)CC1 ZINC000501114197 1020716300 /nfs/dbraw/zinc/71/63/00/1020716300.db2.gz CQALQONFITVXMB-UHFFFAOYSA-N 1 3 335.580 3.836 20 0 EHADHO Brc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091284521 1020823007 /nfs/dbraw/zinc/82/30/07/1020823007.db2.gz MQUDPTRDNUSGPH-SJCJKPOMSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091284521 1020823016 /nfs/dbraw/zinc/82/30/16/1020823016.db2.gz MQUDPTRDNUSGPH-SJCJKPOMSA-N 1 3 335.289 3.510 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179215 1021046975 /nfs/dbraw/zinc/04/69/75/1021046975.db2.gz FXAXDJAJEGIAQZ-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179215 1021046980 /nfs/dbraw/zinc/04/69/80/1021046980.db2.gz FXAXDJAJEGIAQZ-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179215 1021046985 /nfs/dbraw/zinc/04/69/85/1021046985.db2.gz FXAXDJAJEGIAQZ-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000656684602 1021162125 /nfs/dbraw/zinc/16/21/25/1021162125.db2.gz VWVPHHVYEPHNNH-MRXNPFEDSA-N 1 3 327.447 3.784 20 0 EHADHO Fc1cccc(N2CCCC2)c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785549 1021337376 /nfs/dbraw/zinc/33/73/76/1021337376.db2.gz LWFKVPRIDSXDFB-SFHVURJKSA-N 1 3 345.506 3.638 20 0 EHADHO Brc1csc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785522 1021337653 /nfs/dbraw/zinc/33/76/53/1021337653.db2.gz LKBXNUCHVAPSCO-CYBMUJFWSA-N 1 3 343.334 3.722 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000164477519 1021446205 /nfs/dbraw/zinc/44/62/05/1021446205.db2.gz PBGOFXCXBUZHTG-KRWDZBQOSA-N 1 3 343.515 3.729 20 0 EHADHO C[C@@H](CC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414900104 1021686962 /nfs/dbraw/zinc/68/69/62/1021686962.db2.gz VOTMOMCJIUQXEE-HNNXBMFYSA-N 1 3 338.430 3.505 20 0 EHADHO [NH3+]CCCCNCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414901614 1021739518 /nfs/dbraw/zinc/73/95/18/1021739518.db2.gz ITDDTVFXDUXMLC-UHFFFAOYSA-N 1 3 330.284 3.945 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Br)cc3)C2)CC1 ZINC000581831190 1021847395 /nfs/dbraw/zinc/84/73/95/1021847395.db2.gz ITSXEXJYYKRNGG-MRXNPFEDSA-N 1 3 337.305 3.613 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000519104079 1021861255 /nfs/dbraw/zinc/86/12/55/1021861255.db2.gz WDUMZLDBMCRBMP-HXUWFJFHSA-N 1 3 345.531 3.977 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564937 1021952270 /nfs/dbraw/zinc/95/22/70/1021952270.db2.gz BEAZIWDIVBXWJB-GDBMZVCRSA-N 1 3 344.421 3.932 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@H]1C ZINC000437564937 1021952279 /nfs/dbraw/zinc/95/22/79/1021952279.db2.gz BEAZIWDIVBXWJB-GDBMZVCRSA-N 1 3 344.421 3.932 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3cc(F)ccc3o2)C[C@H](C)O1 ZINC000343798920 1033023653 /nfs/dbraw/zinc/02/36/53/1033023653.db2.gz YXOGWJZYOGZXEW-GJZGRUSLSA-N 1 3 334.435 3.551 20 0 EHADHO CCN(CC)Cc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)ccc1OC ZINC001167995302 1022432497 /nfs/dbraw/zinc/43/24/97/1022432497.db2.gz ZWVRSRXXLFDUAP-UHFFFAOYSA-N 1 3 344.434 3.708 20 0 EHADHO Cc1ccnc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167975205 1022561859 /nfs/dbraw/zinc/56/18/59/1022561859.db2.gz MDYGZOOMYIDWPX-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO Cc1ccnc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167975205 1022561867 /nfs/dbraw/zinc/56/18/67/1022561867.db2.gz MDYGZOOMYIDWPX-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO Fc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167975178 1022578300 /nfs/dbraw/zinc/57/83/00/1022578300.db2.gz KNDNHWFENRSFPU-IHWFROFDSA-N 1 3 328.475 3.896 20 0 EHADHO Fc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167975178 1022578311 /nfs/dbraw/zinc/57/83/11/1022578311.db2.gz KNDNHWFENRSFPU-IHWFROFDSA-N 1 3 328.475 3.896 20 0 EHADHO c1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCC2)nc1 ZINC001167979249 1022743858 /nfs/dbraw/zinc/74/38/58/1022743858.db2.gz YGDCYWWLNQSRFN-IHWFROFDSA-N 1 3 325.500 3.542 20 0 EHADHO c1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)nc1 ZINC001167979249 1022743870 /nfs/dbraw/zinc/74/38/70/1022743870.db2.gz YGDCYWWLNQSRFN-IHWFROFDSA-N 1 3 325.500 3.542 20 0 EHADHO c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCC2)nc1 ZINC001167979249 1022743882 /nfs/dbraw/zinc/74/38/82/1022743882.db2.gz YGDCYWWLNQSRFN-IHWFROFDSA-N 1 3 325.500 3.542 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000280804098 1022798268 /nfs/dbraw/zinc/79/82/68/1022798268.db2.gz IQBQFVUKUICWSL-OAQYLSRUSA-N 1 3 339.483 3.653 20 0 EHADHO C[C@H]1CC(CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)C1 ZINC000089126124 1022879418 /nfs/dbraw/zinc/87/94/18/1022879418.db2.gz KIELOYZWROOSLF-SBHAEUEKSA-N 1 3 335.580 3.551 20 0 EHADHO C[C@H]1CC(CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@H](C)C1 ZINC000089126124 1022879435 /nfs/dbraw/zinc/87/94/35/1022879435.db2.gz KIELOYZWROOSLF-SBHAEUEKSA-N 1 3 335.580 3.551 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1 ZINC000414958410 1023049332 /nfs/dbraw/zinc/04/93/32/1023049332.db2.gz WSHJZHVQUBRZOW-KUHUBIRLSA-N 1 3 330.422 3.827 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1O ZINC000277161937 1023888121 /nfs/dbraw/zinc/88/81/21/1023888121.db2.gz GALKAURBXFYHFM-INIZCTEOSA-N 1 3 346.515 3.719 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1O ZINC000277161941 1023888415 /nfs/dbraw/zinc/88/84/15/1023888415.db2.gz GALKAURBXFYHFM-MRXNPFEDSA-N 1 3 346.515 3.719 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)C1 ZINC000367084914 1024014588 /nfs/dbraw/zinc/01/45/88/1024014588.db2.gz COMBNPCVUFAUEU-YZGWKJHDSA-N 1 3 334.548 3.968 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103611 1024134650 /nfs/dbraw/zinc/13/46/50/1024134650.db2.gz CVLCARIJRZSJPN-GUYCJALGSA-N 1 3 342.405 3.968 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103611 1024134652 /nfs/dbraw/zinc/13/46/52/1024134652.db2.gz CVLCARIJRZSJPN-GUYCJALGSA-N 1 3 342.405 3.968 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103611 1024134654 /nfs/dbraw/zinc/13/46/54/1024134654.db2.gz CVLCARIJRZSJPN-GUYCJALGSA-N 1 3 342.405 3.968 20 0 EHADHO C[NH+](C)C[C@H]1CCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000113513324 1024322696 /nfs/dbraw/zinc/32/26/96/1024322696.db2.gz WCLNNWLXGQXFET-OAHLLOKOSA-N 1 3 344.421 3.748 20 0 EHADHO Cc1ccc2[nH]c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000472034269 1024417944 /nfs/dbraw/zinc/41/79/44/1024417944.db2.gz CZSJYBNIAIYASZ-CALCHBBNSA-N 1 3 343.515 3.764 20 0 EHADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090580439 1024453635 /nfs/dbraw/zinc/45/36/35/1024453635.db2.gz CYYNAZBYGCIQIK-RMVXJAJNSA-N 1 3 328.500 3.901 20 0 EHADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090580439 1024453637 /nfs/dbraw/zinc/45/36/37/1024453637.db2.gz CYYNAZBYGCIQIK-RMVXJAJNSA-N 1 3 328.500 3.901 20 0 EHADHO C[C@H](O)CCC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639112850 1024472140 /nfs/dbraw/zinc/47/21/40/1024472140.db2.gz QUTQRAJRSUPFOS-GHTZIAJQSA-N 1 3 332.532 3.675 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000067452995 1024580748 /nfs/dbraw/zinc/58/07/48/1024580748.db2.gz BXRVXKOCCNGUTP-GASCZTMLSA-N 1 3 344.421 3.684 20 0 EHADHO COC1CCC(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000895694458 1024729212 /nfs/dbraw/zinc/72/92/12/1024729212.db2.gz UXSUEQNAKVKRNV-KJJOEJEFSA-N 1 3 330.516 3.549 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168012411 1025108670 /nfs/dbraw/zinc/10/86/70/1025108670.db2.gz ZPSFODKVDPDAHH-WERVVEIQSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@@H]1C[C@@H](N2CCN(C3CCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040977 1025342945 /nfs/dbraw/zinc/34/29/45/1025342945.db2.gz PQESUGKGDMMEHG-HATOLVCRSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@@H]1C[C@@H](N2CCN(C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040977 1025342957 /nfs/dbraw/zinc/34/29/57/1025342957.db2.gz PQESUGKGDMMEHG-HATOLVCRSA-N 1 3 341.543 3.598 20 0 EHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240282 1025530109 /nfs/dbraw/zinc/53/01/09/1025530109.db2.gz KBLJRLSYKBHCFW-LPHOPBHVSA-N 1 3 338.442 3.506 20 0 EHADHO CCCCc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442878467 1025557296 /nfs/dbraw/zinc/55/72/96/1025557296.db2.gz YZMJBGXLVAOMOS-GOSISDBHSA-N 1 3 331.548 3.706 20 0 EHADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Cl)c1F ZINC000442888637 1025570972 /nfs/dbraw/zinc/57/09/72/1025570972.db2.gz GUQVTHILNGYLMH-INIZCTEOSA-N 1 3 341.902 3.546 20 0 EHADHO CCCOc1c(Cl)cc(CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442918637 1025597819 /nfs/dbraw/zinc/59/78/19/1025597819.db2.gz HQUCIXKXXBSUCL-CQSZACIVSA-N 1 3 340.895 3.698 20 0 EHADHO CCOc1c(Cl)cccc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000521942562 1025812754 /nfs/dbraw/zinc/81/27/54/1025812754.db2.gz RFBSJYPDKHCIDS-MRXNPFEDSA-N 1 3 336.907 3.902 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532498855 1026228344 /nfs/dbraw/zinc/22/83/44/1026228344.db2.gz RYBYXILRSUPZNO-CTNGQTDRSA-N 1 3 332.532 3.838 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532498855 1026228360 /nfs/dbraw/zinc/22/83/60/1026228360.db2.gz RYBYXILRSUPZNO-CTNGQTDRSA-N 1 3 332.532 3.838 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000582456162 1026316458 /nfs/dbraw/zinc/31/64/58/1026316458.db2.gz DXSZNNCJXIBSJZ-SESVDKBCSA-N 1 3 330.516 3.693 20 0 EHADHO CCOc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000475291925 1026436378 /nfs/dbraw/zinc/43/63/78/1026436378.db2.gz QPLNIWOWUPZSSE-IBGZPJMESA-N 1 3 342.458 3.836 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378167 1026842386 /nfs/dbraw/zinc/84/23/86/1026842386.db2.gz DDHFJWMIGGFMRL-CJNGLKHVSA-N 1 3 325.294 3.754 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000531378167 1026842392 /nfs/dbraw/zinc/84/23/92/1026842392.db2.gz DDHFJWMIGGFMRL-CJNGLKHVSA-N 1 3 325.294 3.754 20 0 EHADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272765287 1027101584 /nfs/dbraw/zinc/10/15/84/1027101584.db2.gz LYONJRCRZLDMRY-JXXFODFXSA-N 1 3 341.499 3.895 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OCCC(C)C ZINC000531682997 1027208346 /nfs/dbraw/zinc/20/83/46/1027208346.db2.gz XYMIBBYHSJOCJG-JENIJYKNSA-N 1 3 348.531 3.938 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453073472 1027288150 /nfs/dbraw/zinc/28/81/50/1027288150.db2.gz GLFMPMLKZOYFHU-HXUWFJFHSA-N 1 3 349.950 3.798 20 0 EHADHO Clc1ccc(-c2c[nH]c([C@@H]3CCCN3CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420315565 1027463524 /nfs/dbraw/zinc/46/35/24/1027463524.db2.gz KXJVTETZQJASQA-KDOFPFPSSA-N 1 3 344.890 3.867 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595822 1027572458 /nfs/dbraw/zinc/57/24/58/1027572458.db2.gz KMYIRHUVFQZBQW-QRWLVFNGSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595822 1027572465 /nfs/dbraw/zinc/57/24/65/1027572465.db2.gz KMYIRHUVFQZBQW-QRWLVFNGSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613489 1027631946 /nfs/dbraw/zinc/63/19/46/1027631946.db2.gz LJIOOPOXNNMIBV-KRWDZBQOSA-N 1 3 341.474 3.654 20 0 EHADHO c1ccc2c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccnc2c1 ZINC000657613065 1027633730 /nfs/dbraw/zinc/63/37/30/1027633730.db2.gz VSJMNLMUFNUVDM-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO CC1(C)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1OCc1ccccc1 ZINC000475567979 1027644959 /nfs/dbraw/zinc/64/49/59/1027644959.db2.gz FEZPVIZHKFWSKM-VFUGHAIPSA-N 1 3 342.527 3.977 20 0 EHADHO Clc1ccsc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613861 1027654816 /nfs/dbraw/zinc/65/48/16/1027654816.db2.gz USULRQBUMYAYNE-UHFFFAOYSA-N 1 3 335.904 3.798 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000501968218 1027670799 /nfs/dbraw/zinc/67/07/99/1027670799.db2.gz UWRLDAVIMUVJKX-FCHUYYIVSA-N 1 3 343.559 3.719 20 0 EHADHO COc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414656017 1027727044 /nfs/dbraw/zinc/72/70/44/1027727044.db2.gz FBCVGQSUNHKHOI-JKSUJKDBSA-N 1 3 340.467 3.540 20 0 EHADHO CC(C)CN1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000131155771 1027742289 /nfs/dbraw/zinc/74/22/89/1027742289.db2.gz BOCMLZSZKGSVAX-UHFFFAOYSA-N 1 3 347.522 3.500 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000503435039 1027789212 /nfs/dbraw/zinc/78/92/12/1027789212.db2.gz SMXXPPFGUYVGGP-XLIONFOSSA-N 1 3 349.950 3.581 20 0 EHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701251 1027861248 /nfs/dbraw/zinc/86/12/48/1027861248.db2.gz IDQIVKFBYIBGST-CJNGLKHVSA-N 1 3 326.406 3.844 20 0 EHADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cnccc1N ZINC000422747465 1027914413 /nfs/dbraw/zinc/91/44/13/1027914413.db2.gz YTXYKWMFIMUXEN-KRWDZBQOSA-N 1 3 338.499 3.577 20 0 EHADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422744299 1027914922 /nfs/dbraw/zinc/91/49/22/1027914922.db2.gz JVQPIQQKUSEHJG-JKSUJKDBSA-N 1 3 337.305 3.730 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000422900559 1028036921 /nfs/dbraw/zinc/03/69/21/1028036921.db2.gz JOUDQKBGRSWKOR-UQASEVPWSA-N 1 3 339.483 3.667 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000422982066 1028108846 /nfs/dbraw/zinc/10/88/46/1028108846.db2.gz VJBPHASKQVIWBC-QRWLVFNGSA-N 1 3 326.488 3.636 20 0 EHADHO FC(F)(F)Oc1cccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423103530 1028185062 /nfs/dbraw/zinc/18/50/62/1028185062.db2.gz LBKUCPBZKYMTBX-ZBFHGGJFSA-N 1 3 328.378 3.768 20 0 EHADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC000246311816 1028204009 /nfs/dbraw/zinc/20/40/09/1028204009.db2.gz DUNDYKFPCXKHPF-BHIFYINESA-N 1 3 342.527 3.812 20 0 EHADHO CC(C)[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423284765 1028323013 /nfs/dbraw/zinc/32/30/13/1028323013.db2.gz YIZSQWYOSPEHNA-CABCVRRESA-N 1 3 333.476 3.900 20 0 EHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423285192 1028323226 /nfs/dbraw/zinc/32/32/26/1028323226.db2.gz XYIZVUOAJVKFGY-KFNAQCHYSA-N 1 3 343.284 3.626 20 0 EHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423285191 1028323585 /nfs/dbraw/zinc/32/35/85/1028323585.db2.gz XYIZVUOAJVKFGY-FFSVYQOJSA-N 1 3 343.284 3.626 20 0 EHADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccc(F)cc1Br ZINC000423291558 1028329352 /nfs/dbraw/zinc/32/93/52/1028329352.db2.gz IVMSDXZMJGKOFH-LLVKDONJSA-N 1 3 331.273 3.626 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423277002 1028337609 /nfs/dbraw/zinc/33/76/09/1028337609.db2.gz PGTILWSXICCGJG-ZIAGYGMSSA-N 1 3 333.476 3.990 20 0 EHADHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCC1 ZINC000423317620 1028345867 /nfs/dbraw/zinc/34/58/67/1028345867.db2.gz CPQSHKBYVAWXSG-AWEZNQCLSA-N 1 3 331.460 3.798 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CN[C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000423419479 1028413507 /nfs/dbraw/zinc/41/35/07/1028413507.db2.gz IVHXYYIAJJSHDL-STXHMFSFSA-N 1 3 345.437 3.804 20 0 EHADHO c1cc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc2c1C[NH2+]C2 ZINC000423406580 1028421736 /nfs/dbraw/zinc/42/17/36/1028421736.db2.gz ZBDGTQGXRWHREW-NRFANRHFSA-N 1 3 334.463 3.782 20 0 EHADHO Cc1cc([C@H](NCCC[C@H]2CCC[NH2+]2)c2cccnc2)ccc1F ZINC000423480020 1028463896 /nfs/dbraw/zinc/46/38/96/1028463896.db2.gz MQLTUETWWDXDCI-QUCCMNQESA-N 1 3 327.447 3.740 20 0 EHADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423502817 1028466244 /nfs/dbraw/zinc/46/62/44/1028466244.db2.gz KFMRBAZCVQKKLA-SRCQZFHVSA-N 1 3 349.272 3.849 20 0 EHADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423502818 1028466550 /nfs/dbraw/zinc/46/65/50/1028466550.db2.gz KFMRBAZCVQKKLA-VMGRFDJRSA-N 1 3 349.272 3.849 20 0 EHADHO CCc1nc(C)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000246857676 1028703459 /nfs/dbraw/zinc/70/34/59/1028703459.db2.gz BVEIKHQTOHRLOO-KKUMJFAQSA-N 1 3 339.549 3.554 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(C)n1 ZINC000421856490 1028849978 /nfs/dbraw/zinc/84/99/78/1028849978.db2.gz OBHGGKCAOJKZTE-DKUWSORSSA-N 1 3 335.495 3.984 20 0 EHADHO Cc1ccc(-c2cnc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000424301969 1028985824 /nfs/dbraw/zinc/98/58/24/1028985824.db2.gz YNWVVJMPUGXVSA-INIZCTEOSA-N 1 3 325.456 3.614 20 0 EHADHO COc1ccc([C@H](C)NCC2(SC)CC[NH+](C)CC2)c(Cl)c1 ZINC000424344722 1029022164 /nfs/dbraw/zinc/02/21/64/1029022164.db2.gz HCXSQFOXYJBBMV-ZDUSSCGKSA-N 1 3 342.936 3.827 20 0 EHADHO Cc1nc2c(s1)[C@H](NCc1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000162579680 1029026660 /nfs/dbraw/zinc/02/66/60/1029026660.db2.gz JDIDCZWUYDBUJR-QGZVFWFLSA-N 1 3 345.512 3.559 20 0 EHADHO c1cc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790084 1029083132 /nfs/dbraw/zinc/08/31/32/1029083132.db2.gz ZKSARAGHQNEKQU-ZIAGYGMSSA-N 1 3 333.526 3.693 20 0 EHADHO Cc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000414807766 1029233073 /nfs/dbraw/zinc/23/30/73/1029233073.db2.gz RMEDCDBKCVECST-PKOBYXMFSA-N 1 3 325.456 3.789 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000414808492 1029272981 /nfs/dbraw/zinc/27/29/81/1029272981.db2.gz KSKBMEFJNFTREZ-ZDUSSCGKSA-N 1 3 338.373 3.937 20 0 EHADHO Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272481385 1029476777 /nfs/dbraw/zinc/47/67/77/1029476777.db2.gz MFDSYRJABNTQES-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272481385 1029476785 /nfs/dbraw/zinc/47/67/85/1029476785.db2.gz MFDSYRJABNTQES-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481385 1029476790 /nfs/dbraw/zinc/47/67/90/1029476790.db2.gz MFDSYRJABNTQES-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000272704968 1029572787 /nfs/dbraw/zinc/57/27/87/1029572787.db2.gz TWJAXPNLCQYSBB-OALUTQOASA-N 1 3 341.543 3.898 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000092738774 1029714475 /nfs/dbraw/zinc/71/44/75/1029714475.db2.gz BOSRLPHUARBBQP-FZKQIMNGSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738774 1029714487 /nfs/dbraw/zinc/71/44/87/1029714487.db2.gz BOSRLPHUARBBQP-FZKQIMNGSA-N 1 3 349.316 3.900 20 0 EHADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000162604271 1029798791 /nfs/dbraw/zinc/79/87/91/1029798791.db2.gz BNRXXHZWXRKYTK-BTYIYWSLSA-N 1 3 342.458 3.789 20 0 EHADHO c1nc(CNCC2CC[NH+](C3CC3)CC2)sc1-c1ccccc1 ZINC000446883700 1029845589 /nfs/dbraw/zinc/84/55/89/1029845589.db2.gz JLQLFCYCBCSXJS-UHFFFAOYSA-N 1 3 327.497 3.774 20 0 EHADHO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000583511534 1029985479 /nfs/dbraw/zinc/98/54/79/1029985479.db2.gz KJCIATPIAXJSQD-LJQANCHMSA-N 1 3 347.547 3.541 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000531960585 1030143226 /nfs/dbraw/zinc/14/32/26/1030143226.db2.gz GVABVUFHQMJBKT-NRFANRHFSA-N 1 3 342.458 3.933 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000278325845 1030186350 /nfs/dbraw/zinc/18/63/50/1030186350.db2.gz YQYBFYNADABYTJ-HXUWFJFHSA-N 1 3 343.559 3.671 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453374793 1030193926 /nfs/dbraw/zinc/19/39/26/1030193926.db2.gz UDZVPUMTMITQKK-OALUTQOASA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000453374793 1030193933 /nfs/dbraw/zinc/19/39/33/1030193933.db2.gz UDZVPUMTMITQKK-OALUTQOASA-N 1 3 334.454 3.846 20 0 EHADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000090937017 1030197931 /nfs/dbraw/zinc/19/79/31/1030197931.db2.gz UIWUWHGRTIPKAO-SFHVURJKSA-N 1 3 347.890 3.916 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1 ZINC000453434534 1030292119 /nfs/dbraw/zinc/29/21/19/1030292119.db2.gz UHJMIOSBUUCLFO-YMPZKCBVSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226270 1030492029 /nfs/dbraw/zinc/49/20/29/1030492029.db2.gz SFHIIMRPVIWQFZ-KGLIPLIRSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226270 1030492039 /nfs/dbraw/zinc/49/20/39/1030492039.db2.gz SFHIIMRPVIWQFZ-KGLIPLIRSA-N 1 3 330.394 3.620 20 0 EHADHO FC1(c2ccccc2)CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668082259 1030559598 /nfs/dbraw/zinc/55/95/98/1030559598.db2.gz LBBWWXZTYVLPLF-UHFFFAOYSA-N 1 3 336.414 3.728 20 0 EHADHO CCC1(CN[C@@H](C)c2nccn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000360058093 1030722793 /nfs/dbraw/zinc/72/27/93/1030722793.db2.gz LDFBUKCSZJKOPW-SFHVURJKSA-N 1 3 340.515 3.763 20 0 EHADHO Cc1ccc2[nH]c([C@@H]3CCCN(CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000162143270 1030942624 /nfs/dbraw/zinc/94/26/24/1030942624.db2.gz QVARKVPNFWPWBJ-GOSISDBHSA-N 1 3 340.515 3.927 20 0 EHADHO Cc1ccc2nc([C@@H]3CCCN(CCC[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000162143270 1030942637 /nfs/dbraw/zinc/94/26/37/1030942637.db2.gz QVARKVPNFWPWBJ-GOSISDBHSA-N 1 3 340.515 3.927 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)CCN1Cc1ccccc1 ZINC000527810946 1031246995 /nfs/dbraw/zinc/24/69/95/1031246995.db2.gz QCNIJIYTMORAJS-UZKOGDIHSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000132781909 1031415700 /nfs/dbraw/zinc/41/57/00/1031415700.db2.gz FULODGWKUDZDQZ-MRXNPFEDSA-N 1 3 342.458 3.633 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995627 1031432874 /nfs/dbraw/zinc/43/28/74/1031432874.db2.gz UQXMFNUMCRJQDI-GOEBONIOSA-N 1 3 349.906 3.630 20 0 EHADHO COc1cc2c(c(CN3CCC(C[N@H+](C)C(C)C)CC3)c1)O[C@@H](C)C2 ZINC000536652564 1032034889 /nfs/dbraw/zinc/03/48/89/1032034889.db2.gz XSUQIQVGQXEJFP-INIZCTEOSA-N 1 3 346.515 3.571 20 0 EHADHO COc1cc2c(c(CN3CCC(C[N@@H+](C)C(C)C)CC3)c1)O[C@@H](C)C2 ZINC000536652564 1032034908 /nfs/dbraw/zinc/03/49/08/1032034908.db2.gz XSUQIQVGQXEJFP-INIZCTEOSA-N 1 3 346.515 3.571 20 0 EHADHO CCNc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000904436887 1032037659 /nfs/dbraw/zinc/03/76/59/1032037659.db2.gz OISNSLDDFIQXAX-UHFFFAOYSA-N 1 3 338.499 3.515 20 0 EHADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000195138333 1032051862 /nfs/dbraw/zinc/05/18/62/1032051862.db2.gz NZQICJLRRKOLQI-XMSQKQJNSA-N 1 3 336.479 3.794 20 0 EHADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138333 1032051875 /nfs/dbraw/zinc/05/18/75/1032051875.db2.gz NZQICJLRRKOLQI-XMSQKQJNSA-N 1 3 336.479 3.794 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459392462 1032052484 /nfs/dbraw/zinc/05/24/84/1032052484.db2.gz UIFUITPVCDKXKE-GSEOLPGOSA-N 1 3 348.556 3.646 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC000685443827 1033334101 /nfs/dbraw/zinc/33/41/01/1033334101.db2.gz WRYHUFXWDWYHCN-DFNIBXOVSA-N 1 3 328.500 3.847 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC000685443827 1033334116 /nfs/dbraw/zinc/33/41/16/1033334116.db2.gz WRYHUFXWDWYHCN-DFNIBXOVSA-N 1 3 328.500 3.847 20 0 EHADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000595011062 1033607070 /nfs/dbraw/zinc/60/70/70/1033607070.db2.gz GTBGJQMEJSAUGI-MRXNPFEDSA-N 1 3 338.536 3.741 20 0 EHADHO CCC[NH+]1CCC(Nc2cc(CN3CCSCC3)ccc2C)CC1 ZINC000131737209 1033659023 /nfs/dbraw/zinc/65/90/23/1033659023.db2.gz RMZKWVRDXZQHTO-UHFFFAOYSA-N 1 3 347.572 3.830 20 0 EHADHO COc1ccc([C@H](Cc2ccccc2)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000685647348 1033669942 /nfs/dbraw/zinc/66/99/42/1033669942.db2.gz WQOQATLRHNVFSH-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO COc1ccc([C@H](Cc2ccccc2)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647348 1033669948 /nfs/dbraw/zinc/66/99/48/1033669948.db2.gz WQOQATLRHNVFSH-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO COCCC[NH+]1CCC(N[C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000574989196 1033752302 /nfs/dbraw/zinc/75/23/02/1033752302.db2.gz IGKNTWADMZWROP-FQEVSTJZSA-N 1 3 348.556 3.876 20 0 EHADHO COC1CC(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000658054862 1033885471 /nfs/dbraw/zinc/88/54/71/1033885471.db2.gz FGQABJJHLACBNB-RYTOZCKSSA-N 1 3 342.527 3.692 20 0 EHADHO CC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000339490650 1034131920 /nfs/dbraw/zinc/13/19/20/1034131920.db2.gz VRZZRJAPPYATSE-FQEVSTJZSA-N 1 3 342.527 3.695 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](CC/C=C/c3ccccc3)CC2)CC1 ZINC000450633633 1034621755 /nfs/dbraw/zinc/62/17/55/1034621755.db2.gz BIVCPSKJZLSSFH-UXBLZVDNSA-N 1 3 341.543 3.580 20 0 EHADHO Cc1nc(F)ccc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278794045 1034860506 /nfs/dbraw/zinc/86/05/06/1034860506.db2.gz QTXGVNMCAREQDO-DNVCBOLYSA-N 1 3 327.447 3.529 20 0 EHADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1(F)F ZINC000685849375 1035415457 /nfs/dbraw/zinc/41/54/57/1035415457.db2.gz GPJDIVPWQFRPSM-MRXNPFEDSA-N 1 3 338.442 3.638 20 0 EHADHO C[C@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492355705 1035692369 /nfs/dbraw/zinc/69/23/69/1035692369.db2.gz YPZYQMKXELOFEQ-FPOVZHCZSA-N 1 3 337.511 3.623 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414233048 1036195432 /nfs/dbraw/zinc/19/54/32/1036195432.db2.gz QWHHMAZTERQJMN-PXNSSMCTSA-N 1 3 347.547 3.606 20 0 EHADHO C[NH+](C)Cc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000063915547 1036250338 /nfs/dbraw/zinc/25/03/38/1036250338.db2.gz PCPSSTJEFMKBJL-UHFFFAOYSA-N 1 3 337.467 3.596 20 0 EHADHO FC(F)(F)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543875 1037098370 /nfs/dbraw/zinc/09/83/70/1037098370.db2.gz TVHWMRPXTCZQDD-QWHCGFSZSA-N 1 3 332.435 3.979 20 0 EHADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000311118929 1037408958 /nfs/dbraw/zinc/40/89/58/1037408958.db2.gz GQRZDMQGWVFREB-IRLDBZIGSA-N 1 3 338.495 3.612 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000171128758 1037464616 /nfs/dbraw/zinc/46/46/16/1037464616.db2.gz CNNFEICTQZARFW-IBGZPJMESA-N 1 3 328.456 3.777 20 0 EHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000532504331 1037530776 /nfs/dbraw/zinc/53/07/76/1037530776.db2.gz FOBMPWQPUQSITA-DNVCBOLYSA-N 1 3 334.504 3.865 20 0 EHADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000540160394 1037617399 /nfs/dbraw/zinc/61/73/99/1037617399.db2.gz DGGZDEVXKUCPJZ-FDFHNCONSA-N 1 3 342.527 3.885 20 0 EHADHO CCOc1cc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OC(F)F ZINC000163875337 1037895030 /nfs/dbraw/zinc/89/50/30/1037895030.db2.gz SPVBVVACDJLWIO-YDHLFZDLSA-N 1 3 342.430 3.505 20 0 EHADHO COC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000540405879 1037901312 /nfs/dbraw/zinc/90/13/12/1037901312.db2.gz DVGUGUSIHKIJPY-DNVCBOLYSA-N 1 3 340.458 3.897 20 0 EHADHO COC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000540405879 1037901327 /nfs/dbraw/zinc/90/13/27/1037901327.db2.gz DVGUGUSIHKIJPY-DNVCBOLYSA-N 1 3 340.458 3.897 20 0 EHADHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163949767 1038429842 /nfs/dbraw/zinc/42/98/42/1038429842.db2.gz ZQUBNVXDYPXNDK-HXUWFJFHSA-N 1 3 338.499 3.573 20 0 EHADHO COc1cc2c(cc1CN1CCC(CCC[NH+](C)C)CC1)O[C@H](C)C2 ZINC000538750447 1038514190 /nfs/dbraw/zinc/51/41/90/1038514190.db2.gz BRHIRJMJBZGZPS-MRXNPFEDSA-N 1 3 346.515 3.572 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000538752709 1038515463 /nfs/dbraw/zinc/51/54/63/1038515463.db2.gz GZTBYRAPHYMFFV-UHFFFAOYSA-N 1 3 347.522 3.980 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000479867013 1038844754 /nfs/dbraw/zinc/84/47/54/1038844754.db2.gz UIWMIIHVKFVHQN-OAHLLOKOSA-N 1 3 330.394 3.750 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@](C)(O)C3CCCCC3)CC2)C1 ZINC000477869579 1039001495 /nfs/dbraw/zinc/00/14/95/1039001495.db2.gz XZPHKWLDNRGUNN-JRGCBEDISA-N 1 3 336.564 3.950 20 0 EHADHO COCc1ccccc1/C=C(/C)CNCC1(C[NH+](C)C)CCCC1 ZINC000512511117 1039548352 /nfs/dbraw/zinc/54/83/52/1039548352.db2.gz CGWLJAGQOZTERK-AQTBWJFISA-N 1 3 330.516 3.948 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562780 1040087765 /nfs/dbraw/zinc/08/77/65/1040087765.db2.gz VZRRYJPDUZFHER-JXFKEZNVSA-N 1 3 328.500 3.711 20 0 EHADHO Cc1ccn2c(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)cnc2c1 ZINC000486530272 1040218381 /nfs/dbraw/zinc/21/83/81/1040218381.db2.gz CWLJCLWULYYSKU-QUCCMNQESA-N 1 3 348.494 3.643 20 0 EHADHO C[C@H]([NH3+])C1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000166535988 1040330921 /nfs/dbraw/zinc/33/09/21/1040330921.db2.gz FBVSQRIZLOYCLZ-LBPRGKRZSA-N 1 3 348.288 3.557 20 0 EHADHO Fc1ccc2cc(CNCCC[N@@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000486684175 1040352322 /nfs/dbraw/zinc/35/23/22/1040352322.db2.gz XLQKBWODEIKMKT-UHFFFAOYSA-N 1 3 337.442 3.845 20 0 EHADHO Fc1ccc2cc(CNCCC[N@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000486684175 1040352337 /nfs/dbraw/zinc/35/23/37/1040352337.db2.gz XLQKBWODEIKMKT-UHFFFAOYSA-N 1 3 337.442 3.845 20 0 EHADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512655795 1040406084 /nfs/dbraw/zinc/40/60/84/1040406084.db2.gz WNARCMMMXIIECV-PCCBWWKXSA-N 1 3 344.543 3.675 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000500068247 1040431214 /nfs/dbraw/zinc/43/12/14/1040431214.db2.gz ATXWFYIZXCELEP-NRFANRHFSA-N 1 3 335.580 3.837 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000500068247 1040431224 /nfs/dbraw/zinc/43/12/24/1040431224.db2.gz ATXWFYIZXCELEP-NRFANRHFSA-N 1 3 335.580 3.837 20 0 EHADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000555563449 1040836297 /nfs/dbraw/zinc/83/62/97/1040836297.db2.gz BSXUBYQHGZRUPF-YADHBBJMSA-N 1 3 342.527 3.812 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000162880940 1041056989 /nfs/dbraw/zinc/05/69/89/1041056989.db2.gz NSVHTUNOCHZLDK-KURKYZTESA-N 1 3 334.504 3.625 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CCC=CO4)CC[C@@H]32)cc1 ZINC000194074052 1041206639 /nfs/dbraw/zinc/20/66/39/1041206639.db2.gz HTXXDYVSWCYWGF-HKBOAZHASA-N 1 3 326.484 3.666 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC=CO4)CC[C@@H]32)cc1 ZINC000194074052 1041206661 /nfs/dbraw/zinc/20/66/61/1041206661.db2.gz HTXXDYVSWCYWGF-HKBOAZHASA-N 1 3 326.484 3.666 20 0 EHADHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925688054 1041207933 /nfs/dbraw/zinc/20/79/33/1041207933.db2.gz DNAHTMUUFSMYFD-VMXMFDLUSA-N 1 3 328.500 3.557 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000513025478 1041397106 /nfs/dbraw/zinc/39/71/06/1041397106.db2.gz GDTCGJAFBZAYLB-KBPBESRZSA-N 1 3 345.314 3.972 20 0 EHADHO COCCC[NH+]1CCC(NC/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513032638 1041400937 /nfs/dbraw/zinc/40/09/37/1041400937.db2.gz SZVQXZSZMAQHTB-PEZBUJJGSA-N 1 3 336.907 3.834 20 0 EHADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000651699966 1041941147 /nfs/dbraw/zinc/94/11/47/1041941147.db2.gz NUKRMUWCOUVDQI-PMACEKPBSA-N 1 3 332.532 3.592 20 0 EHADHO CC[N@H+](CCCNC1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000651910351 1042173775 /nfs/dbraw/zinc/17/37/75/1042173775.db2.gz QFSFMYMIFCXHPV-UHFFFAOYSA-N 1 3 349.485 3.647 20 0 EHADHO CC[N@@H+](CCCNC1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000651910351 1042173779 /nfs/dbraw/zinc/17/37/79/1042173779.db2.gz QFSFMYMIFCXHPV-UHFFFAOYSA-N 1 3 349.485 3.647 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)C1 ZINC000651928345 1042201971 /nfs/dbraw/zinc/20/19/71/1042201971.db2.gz DFEKCFYFABQAGI-TYCQWZJGSA-N 1 3 334.548 3.824 20 0 EHADHO CC(C)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000652196627 1042271297 /nfs/dbraw/zinc/27/12/97/1042271297.db2.gz ZURUKITYWQYPKT-LJQANCHMSA-N 1 3 335.511 3.529 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000047977247 1042272250 /nfs/dbraw/zinc/27/22/50/1042272250.db2.gz FPEAEPQLYVFQBD-UHFFFAOYSA-N 1 3 327.472 3.895 20 0 EHADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663343648 1042727248 /nfs/dbraw/zinc/72/72/48/1042727248.db2.gz ACNFQVLMBOUKNP-SFHLNBCPSA-N 1 3 327.516 3.819 20 0 EHADHO c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663343647 1042727295 /nfs/dbraw/zinc/72/72/95/1042727295.db2.gz ACNFQVLMBOUKNP-SBHAEUEKSA-N 1 3 327.516 3.819 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662675403 1042826070 /nfs/dbraw/zinc/82/60/70/1042826070.db2.gz MUDBJSSKCUYDSQ-MRXNPFEDSA-N 1 3 341.499 3.674 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662675403 1042826073 /nfs/dbraw/zinc/82/60/73/1042826073.db2.gz MUDBJSSKCUYDSQ-MRXNPFEDSA-N 1 3 341.499 3.674 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663471843 1042902298 /nfs/dbraw/zinc/90/22/98/1042902298.db2.gz YRJNTGODKYEFOM-AOIWGVFYSA-N 1 3 330.516 3.899 20 0 EHADHO Cc1cc2c(cc1C)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432414710 1043130467 /nfs/dbraw/zinc/13/04/67/1043130467.db2.gz AMNAMTYRGDDUKD-IEBWSBKVSA-N 1 3 348.556 3.931 20 0 EHADHO Cc1cc2c(cc1C)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432414710 1043130472 /nfs/dbraw/zinc/13/04/72/1043130472.db2.gz AMNAMTYRGDDUKD-IEBWSBKVSA-N 1 3 348.556 3.931 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1F ZINC000162846195 1043800890 /nfs/dbraw/zinc/80/08/90/1043800890.db2.gz JENVDAAQCMJVOL-KFWWJZLASA-N 1 3 326.431 3.505 20 0 EHADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CC1 ZINC000183373543 1125542628 /nfs/dbraw/zinc/54/26/28/1125542628.db2.gz CWKBCAAEDLQCPE-JXFKEZNVSA-N 1 3 346.515 3.757 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000154239986 1125706204 /nfs/dbraw/zinc/70/62/04/1125706204.db2.gz VBJFAPMAJMRVTA-SFHVURJKSA-N 1 3 343.515 3.728 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc4c[nH]nc4c3)CC2)C1 ZINC000671301751 1126888575 /nfs/dbraw/zinc/88/85/75/1126888575.db2.gz SXVZUNMBNJEYFO-JXFKEZNVSA-N 1 3 340.515 3.738 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000623344907 1126923818 /nfs/dbraw/zinc/92/38/18/1126923818.db2.gz ICSNTCRYBRJOLN-CQSZACIVSA-N 1 3 330.394 3.590 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757082 1127115793 /nfs/dbraw/zinc/11/57/93/1127115793.db2.gz NRQIAICQVMWOFV-HUUCEWRRSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757082 1127115796 /nfs/dbraw/zinc/11/57/96/1127115796.db2.gz NRQIAICQVMWOFV-HUUCEWRRSA-N 1 3 339.886 3.520 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000180791048 1127187235 /nfs/dbraw/zinc/18/72/35/1127187235.db2.gz KIHGFRAYPFUBLX-UHFFFAOYSA-N 1 3 334.504 3.735 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Br)cs1 ZINC000624123164 1127256983 /nfs/dbraw/zinc/25/69/83/1127256983.db2.gz GZTIEKPIRNDGES-NWDGAFQWSA-N 1 3 331.323 3.893 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119884 1127255641 /nfs/dbraw/zinc/25/56/41/1127255641.db2.gz LSVWHKVYSLEZBX-MSOLQXFVSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119884 1127255643 /nfs/dbraw/zinc/25/56/43/1127255643.db2.gz LSVWHKVYSLEZBX-MSOLQXFVSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119884 1127255644 /nfs/dbraw/zinc/25/56/44/1127255644.db2.gz LSVWHKVYSLEZBX-MSOLQXFVSA-N 1 3 345.531 3.849 20 0 EHADHO COc1ccc(CNCc2ccc(OCCC[NH+](C)C)cc2)c(C)c1 ZINC000765270224 1127590704 /nfs/dbraw/zinc/59/07/04/1127590704.db2.gz KMWCAPAUDCQNEQ-UHFFFAOYSA-N 1 3 342.483 3.624 20 0 EHADHO c1ccc2c(c1)C[C@H](CNC1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000765333866 1127599531 /nfs/dbraw/zinc/59/95/31/1127599531.db2.gz MATHKBMWYDZMOS-QGZVFWFLSA-N 1 3 328.500 3.624 20 0 EHADHO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000671752634 1128210312 /nfs/dbraw/zinc/21/03/12/1128210312.db2.gz WLVRYTJYFSJSKA-CLAROIROSA-N 1 3 344.543 3.818 20 0 EHADHO CCC[NH+]1CCC(N[C@H]2CC[C@@H](C(=O)OCC)c3ccccc32)CC1 ZINC000338691622 1128595780 /nfs/dbraw/zinc/59/57/80/1128595780.db2.gz WSWBTKRUYUHXKB-UXHICEINSA-N 1 3 344.499 3.632 20 0 EHADHO CC(C)(C)OC1CC(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000450983270 1128887799 /nfs/dbraw/zinc/88/77/99/1128887799.db2.gz PKLAVBMPGFUPFM-QETWGEEDSA-N 1 3 342.527 3.931 20 0 EHADHO CC(C)(C)OC1CC(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000450983270 1128887806 /nfs/dbraw/zinc/88/78/06/1128887806.db2.gz PKLAVBMPGFUPFM-QETWGEEDSA-N 1 3 342.527 3.931 20 0 EHADHO Cc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc2cccnc12 ZINC001648828498 1120050580 /nfs/dbraw/zinc/05/05/80/1120050580.db2.gz FDNOAVZAFAQIQO-UHFFFAOYSA-N 1 3 349.478 3.773 20 0 EHADHO Cc1cc(Cl)ccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000129003196 1120139215 /nfs/dbraw/zinc/13/92/15/1120139215.db2.gz NVSAQVVDWJRIHB-UHFFFAOYSA-N 1 3 332.875 3.879 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000191570613 1120679629 /nfs/dbraw/zinc/67/96/29/1120679629.db2.gz QFWCIYFHYCIDCQ-OAQYLSRUSA-N 1 3 347.522 3.673 20 0 EHADHO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750440 1120746764 /nfs/dbraw/zinc/74/67/64/1120746764.db2.gz CQBPPCMWSIPBMU-ICSRJNTNSA-N 1 3 347.547 3.777 20 0 EHADHO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750440 1120746768 /nfs/dbraw/zinc/74/67/68/1120746768.db2.gz CQBPPCMWSIPBMU-ICSRJNTNSA-N 1 3 347.547 3.777 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000192785406 1120748996 /nfs/dbraw/zinc/74/89/96/1120748996.db2.gz CPXALRXSRYZBDH-LJQANCHMSA-N 1 3 343.559 3.632 20 0 EHADHO Cc1nc2ccccn2c1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397908742 1121942595 /nfs/dbraw/zinc/94/25/95/1121942595.db2.gz BRUWSSMLYOYSFP-JOCHJYFZSA-N 1 3 348.494 3.787 20 0 EHADHO Cc1nc2ccccn2c1CNC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397908742 1121942604 /nfs/dbraw/zinc/94/26/04/1121942604.db2.gz BRUWSSMLYOYSFP-JOCHJYFZSA-N 1 3 348.494 3.787 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)CN1CCCCC1 ZINC000125585003 1122320932 /nfs/dbraw/zinc/32/09/32/1122320932.db2.gz HOURNVHQMYSTRM-CVEARBPZSA-N 1 3 343.515 3.689 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)c1OC ZINC000556862866 1123152787 /nfs/dbraw/zinc/15/27/87/1123152787.db2.gz FJGXQHWEGDSGAD-DLBZAZTESA-N 1 3 348.531 3.655 20 0 EHADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868636 1123159279 /nfs/dbraw/zinc/15/92/79/1123159279.db2.gz URCMZBZAVUCUBA-BBRMVZONSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868636 1123159281 /nfs/dbraw/zinc/15/92/81/1123159281.db2.gz URCMZBZAVUCUBA-BBRMVZONSA-N 1 3 330.394 3.968 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000132515106 1123240754 /nfs/dbraw/zinc/24/07/54/1123240754.db2.gz ULHXEKMPJYWJEL-BLLLJJGKSA-N 1 3 339.405 3.552 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096109 1123775382 /nfs/dbraw/zinc/77/53/82/1123775382.db2.gz JGBVZMYRLNOCJA-CRAIPNDOSA-N 1 3 329.513 3.972 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096109 1123775383 /nfs/dbraw/zinc/77/53/83/1123775383.db2.gz JGBVZMYRLNOCJA-CRAIPNDOSA-N 1 3 329.513 3.972 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000248135406 1124641640 /nfs/dbraw/zinc/64/16/40/1124641640.db2.gz OZXMQLNSCHKGIA-LRDDRELGSA-N 1 3 328.378 3.504 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000248135406 1124641643 /nfs/dbraw/zinc/64/16/43/1124641643.db2.gz OZXMQLNSCHKGIA-LRDDRELGSA-N 1 3 328.378 3.504 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000248531019 1124670290 /nfs/dbraw/zinc/67/02/90/1124670290.db2.gz NSWOKBLGPPTUOP-QZTJIDSGSA-N 1 3 326.488 3.787 20 0 EHADHO CCc1noc([C@@H]2CC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC000922870723 1129701966 /nfs/dbraw/zinc/70/19/66/1129701966.db2.gz UHAPNNPHVMVGKK-WBVHZDCISA-N 1 3 346.519 3.655 20 0 EHADHO CCc1noc([C@@H]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)n1 ZINC000922870723 1129701968 /nfs/dbraw/zinc/70/19/68/1129701968.db2.gz UHAPNNPHVMVGKK-WBVHZDCISA-N 1 3 346.519 3.655 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139202 1130389187 /nfs/dbraw/zinc/38/91/87/1130389187.db2.gz NKIDNLUDAMJJDY-NSISKUIASA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139202 1130389191 /nfs/dbraw/zinc/38/91/91/1130389191.db2.gz NKIDNLUDAMJJDY-NSISKUIASA-N 1 3 344.524 3.598 20 0 EHADHO Cc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001172827750 1131854086 /nfs/dbraw/zinc/85/40/86/1131854086.db2.gz FDNSKVIDYWAHPO-JOCHJYFZSA-N 1 3 349.522 3.749 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099573 1132655311 /nfs/dbraw/zinc/65/53/11/1132655311.db2.gz BTAGQBYMFCLHJP-PDOICOKGSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)c1ccc(Br)cc1)C2 ZINC001169089798 1132660160 /nfs/dbraw/zinc/66/01/60/1132660160.db2.gz FZPDJWZLMKSTJY-MUJYYYPQSA-N 1 3 337.305 3.899 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)c1ccc(Br)cc1)C2 ZINC001169089798 1132660163 /nfs/dbraw/zinc/66/01/63/1132660163.db2.gz FZPDJWZLMKSTJY-MUJYYYPQSA-N 1 3 337.305 3.899 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001177505985 1133071520 /nfs/dbraw/zinc/07/15/20/1133071520.db2.gz AXRUMIMTIFWUAG-UHFFFAOYSA-N 1 3 340.471 3.623 20 0 EHADHO c1ccc2c(c1)OCC[C@@H]2CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001178585579 1133179907 /nfs/dbraw/zinc/17/99/07/1133179907.db2.gz XPZMAOYWEKDNGQ-IEBWSBKVSA-N 1 3 328.500 3.939 20 0 EHADHO c1ccc2c(c1)OCC[C@@H]2CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585579 1133179909 /nfs/dbraw/zinc/17/99/09/1133179909.db2.gz XPZMAOYWEKDNGQ-IEBWSBKVSA-N 1 3 328.500 3.939 20 0 EHADHO Cc1ccc(Br)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205636847 1135151122 /nfs/dbraw/zinc/15/11/22/1135151122.db2.gz FNAGBLWOSDSQBL-YPMHNXCESA-N 1 3 343.284 3.703 20 0 EHADHO Cc1cc(F)cc(Br)c1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651880 1135224954 /nfs/dbraw/zinc/22/49/54/1135224954.db2.gz KZPXCRFCFUCZTE-YPMHNXCESA-N 1 3 343.284 3.703 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2[nH]1 ZINC000775635152 1135365425 /nfs/dbraw/zinc/36/54/25/1135365425.db2.gz YLTJQXABLMVOKJ-BRWVUGGUSA-N 1 3 329.488 3.708 20 0 EHADHO Cc1cc(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000809704930 1135875191 /nfs/dbraw/zinc/87/51/91/1135875191.db2.gz JBXBRJRYKNJONT-SJPCQFCGSA-N 1 3 337.305 3.815 20 0 EHADHO Cc1cc(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000809704930 1135875193 /nfs/dbraw/zinc/87/51/93/1135875193.db2.gz JBXBRJRYKNJONT-SJPCQFCGSA-N 1 3 337.305 3.815 20 0 EHADHO Clc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001199413438 1135904539 /nfs/dbraw/zinc/90/45/39/1135904539.db2.gz OJCPLIFSDXJRKC-UHFFFAOYSA-N 1 3 344.890 3.694 20 0 EHADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(Br)nc1 ZINC000810219860 1135939401 /nfs/dbraw/zinc/93/94/01/1135939401.db2.gz WUHZWQQMDQHZGR-JSGCOSHPSA-N 1 3 342.325 3.861 20 0 EHADHO CC[C@H](C)CN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510106 1136030725 /nfs/dbraw/zinc/03/07/25/1136030725.db2.gz XPTWOVWISNYDAS-WMZOPIPTSA-N 1 3 337.458 3.661 20 0 EHADHO CC[C@H](C)CN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510106 1136030728 /nfs/dbraw/zinc/03/07/28/1136030728.db2.gz XPTWOVWISNYDAS-WMZOPIPTSA-N 1 3 337.458 3.661 20 0 EHADHO Clc1nccc(CNCC2CC[NH+](CC3CC3)CC2)c1Cl ZINC000850419791 1136255112 /nfs/dbraw/zinc/25/51/12/1136255112.db2.gz HFXMAVOAKVBVSV-UHFFFAOYSA-N 1 3 328.287 3.600 20 0 EHADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516373 1136275674 /nfs/dbraw/zinc/27/56/74/1136275674.db2.gz CZORZPZOOYVPTG-QFIPXVFZSA-N 1 3 335.495 3.879 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2SCCS2)C3)cc1 ZINC000850562251 1136286408 /nfs/dbraw/zinc/28/64/08/1136286408.db2.gz YPRCBCODWWDMLT-OSYLJGHBSA-N 1 3 334.554 3.578 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2SCCS2)C3)cc1 ZINC000850562251 1136286410 /nfs/dbraw/zinc/28/64/10/1136286410.db2.gz YPRCBCODWWDMLT-OSYLJGHBSA-N 1 3 334.554 3.578 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC3SCCS3)CC2)C1 ZINC000850571609 1136288881 /nfs/dbraw/zinc/28/88/81/1136288881.db2.gz YXQGIVHHRHOXRU-GOEBONIOSA-N 1 3 328.591 3.815 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC3SCCS3)CC2)C1 ZINC000850571613 1136288998 /nfs/dbraw/zinc/28/89/98/1136288998.db2.gz YXQGIVHHRHOXRU-ZBFHGGJFSA-N 1 3 328.591 3.815 20 0 EHADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccnn1C ZINC000813880194 1136371730 /nfs/dbraw/zinc/37/17/30/1136371730.db2.gz CAEGPKHOPFFEBL-VOBGVNJCSA-N 1 3 338.499 3.656 20 0 EHADHO c1ccc([C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240614 1136521552 /nfs/dbraw/zinc/52/15/52/1136521552.db2.gz PHZZKTPRPMNDNT-SIKLNZKXSA-N 1 3 342.527 3.866 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000856561205 1136795634 /nfs/dbraw/zinc/79/56/34/1136795634.db2.gz UGXXACQYUPMGMS-OAQYLSRUSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCCC3)C2)ccn1 ZINC000856561205 1136795636 /nfs/dbraw/zinc/79/56/36/1136795636.db2.gz UGXXACQYUPMGMS-OAQYLSRUSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561428 1136795765 /nfs/dbraw/zinc/79/57/65/1136795765.db2.gz VMZDXCNSWANNSR-LJQANCHMSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561428 1136795767 /nfs/dbraw/zinc/79/57/67/1136795767.db2.gz VMZDXCNSWANNSR-LJQANCHMSA-N 1 3 331.504 3.565 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893944 1136843962 /nfs/dbraw/zinc/84/39/62/1136843962.db2.gz JJJCRUZQSZNTRT-JLTOFOAXSA-N 1 3 341.499 3.530 20 0 EHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000817948389 1136850475 /nfs/dbraw/zinc/85/04/75/1136850475.db2.gz IROIEVONMCPGBN-OAQYLSRUSA-N 1 3 336.479 3.680 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000865523803 1137291440 /nfs/dbraw/zinc/29/14/40/1137291440.db2.gz FPTAZOQCDCOAOL-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000865523803 1137291442 /nfs/dbraw/zinc/29/14/42/1137291442.db2.gz FPTAZOQCDCOAOL-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000845941463 1137321812 /nfs/dbraw/zinc/32/18/12/1137321812.db2.gz FIPLNCSWAOKPBK-BBWFWOEESA-N 1 3 326.525 3.597 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)C1 ZINC000866509899 1137359925 /nfs/dbraw/zinc/35/99/25/1137359925.db2.gz GCRQROAPSRVBAC-FRTACKCFSA-N 1 3 334.548 3.824 20 0 EHADHO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC001171302609 1137405510 /nfs/dbraw/zinc/40/55/10/1137405510.db2.gz WMUYIKYGQLRQPX-RBSFLKMASA-N 1 3 336.907 3.668 20 0 EHADHO C[NH+](C)CC[C@H](N[C@@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171393055 1137469225 /nfs/dbraw/zinc/46/92/25/1137469225.db2.gz BJCBUEABQJEYST-NQIIRXRSSA-N 1 3 326.459 3.966 20 0 EHADHO COc1ccc2c(c1)SC[C@@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171628721 1137499472 /nfs/dbraw/zinc/49/94/72/1137499472.db2.gz HTDPMXFBOYJZMT-HNNXBMFYSA-N 1 3 348.556 3.953 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171629896 1137499802 /nfs/dbraw/zinc/49/98/02/1137499802.db2.gz YXBDAWDZNWBTBQ-OAHLLOKOSA-N 1 3 346.515 3.585 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC[C@@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637881 1137504846 /nfs/dbraw/zinc/50/48/46/1137504846.db2.gz QTNRLBPOHVZUMV-GOSISDBHSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637881 1137504848 /nfs/dbraw/zinc/50/48/48/1137504848.db2.gz QTNRLBPOHVZUMV-GOSISDBHSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1(C)C ZINC001171637881 1137504850 /nfs/dbraw/zinc/50/48/50/1137504850.db2.gz QTNRLBPOHVZUMV-GOSISDBHSA-N 1 3 331.504 3.576 20 0 EHADHO CCOC(=O)C[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H]1C ZINC001171644573 1137505009 /nfs/dbraw/zinc/50/50/09/1137505009.db2.gz FOGIBORYRQVUIR-HOTGVXAUSA-N 1 3 338.536 3.549 20 0 EHADHO CCOC(=O)C[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H]1C ZINC001171644573 1137505011 /nfs/dbraw/zinc/50/50/11/1137505011.db2.gz FOGIBORYRQVUIR-HOTGVXAUSA-N 1 3 338.536 3.549 20 0 EHADHO CC1(C)C[C@H]([NH2+]Cc2ccc(F)nc2)CCN1Cc1ccccc1 ZINC001171975575 1137524482 /nfs/dbraw/zinc/52/44/82/1137524482.db2.gz MDKKDVLLELWYCI-GOSISDBHSA-N 1 3 327.447 3.754 20 0 EHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCN2CCCCC2)C3)cc1 ZINC001172067384 1137533740 /nfs/dbraw/zinc/53/37/40/1137533740.db2.gz NAQNZNYAAWXVPM-KOUNCHBCSA-N 1 3 341.543 3.648 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070099 1137534823 /nfs/dbraw/zinc/53/48/23/1137534823.db2.gz WZBUOEJEDYRFJY-AANPDWTMSA-N 1 3 340.511 3.683 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC[C@@H]4CCO[C@H]4C2)C3)cc1 ZINC001172070099 1137534824 /nfs/dbraw/zinc/53/48/24/1137534824.db2.gz WZBUOEJEDYRFJY-AANPDWTMSA-N 1 3 340.511 3.683 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC001172102321 1137536721 /nfs/dbraw/zinc/53/67/21/1137536721.db2.gz LYVJJPNVAQFPEV-ZSOGYDGISA-N 1 3 330.369 3.949 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110983 1137537761 /nfs/dbraw/zinc/53/77/61/1137537761.db2.gz NGYUNHYTPDXLPR-REPLKXPHSA-N 1 3 348.918 3.951 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110983 1137537763 /nfs/dbraw/zinc/53/77/63/1137537763.db2.gz NGYUNHYTPDXLPR-REPLKXPHSA-N 1 3 348.918 3.951 20 0 EHADHO Cc1cc2c(CC[NH2+][C@H](C)c3ccc(CN)nc3C)c[nH]c2cc1F ZINC000873246854 1137595370 /nfs/dbraw/zinc/59/53/70/1137595370.db2.gz CFKDHRAYMRADNF-CYBMUJFWSA-N 1 3 340.446 3.671 20 0 EHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000877115307 1137670424 /nfs/dbraw/zinc/67/04/24/1137670424.db2.gz LZPYSAHUPLWKAA-JLHGSKIFSA-N 1 3 332.469 3.667 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2ccc(Cl)nn2)C[N@@H+]1Cc1ccccc1 ZINC000877119863 1137670656 /nfs/dbraw/zinc/67/06/56/1137670656.db2.gz BSPYYARBUWVNIU-NVXWUHKLSA-N 1 3 344.890 3.520 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119863 1137670657 /nfs/dbraw/zinc/67/06/57/1137670657.db2.gz BSPYYARBUWVNIU-NVXWUHKLSA-N 1 3 344.890 3.520 20 0 EHADHO CC1(C)C[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000331713878 1137917982 /nfs/dbraw/zinc/91/79/82/1137917982.db2.gz MJBGEOGELDMDEM-YJBOKZPZSA-N 1 3 329.488 3.636 20 0 EHADHO CC1(C)C[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000331713878 1137917983 /nfs/dbraw/zinc/91/79/83/1137917983.db2.gz MJBGEOGELDMDEM-YJBOKZPZSA-N 1 3 329.488 3.636 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000885923415 1138024668 /nfs/dbraw/zinc/02/46/68/1138024668.db2.gz ZMWDCIHWRJXFFB-HNNXBMFYSA-N 1 3 326.488 3.691 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000885923415 1138024671 /nfs/dbraw/zinc/02/46/71/1138024671.db2.gz ZMWDCIHWRJXFFB-HNNXBMFYSA-N 1 3 326.488 3.691 20 0 EHADHO CC(C)[C@@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000886515524 1138087985 /nfs/dbraw/zinc/08/79/85/1138087985.db2.gz KTERDPKZEVKZNH-HXUWFJFHSA-N 1 3 328.504 3.747 20 0 EHADHO CC(C)[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000886515524 1138087988 /nfs/dbraw/zinc/08/79/88/1138087988.db2.gz KTERDPKZEVKZNH-HXUWFJFHSA-N 1 3 328.504 3.747 20 0 EHADHO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886587899 1138100023 /nfs/dbraw/zinc/10/00/23/1138100023.db2.gz IALSKOJWVRFCGC-DKBNTXJOSA-N 1 3 342.527 3.834 20 0 EHADHO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126695227 1138336227 /nfs/dbraw/zinc/33/62/27/1138336227.db2.gz CZCLQBASZRYKFP-QGZVFWFLSA-N 1 3 343.540 3.655 20 0 EHADHO COCc1cc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)ccc1OC ZINC000131213083 1138502279 /nfs/dbraw/zinc/50/22/79/1138502279.db2.gz LBDGWVVMKYXYPW-INIZCTEOSA-N 1 3 334.504 3.613 20 0 EHADHO Cc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000132834398 1138605806 /nfs/dbraw/zinc/60/58/06/1138605806.db2.gz IEJAPNQDKFUIAK-UHFFFAOYSA-N 1 3 337.511 3.815 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000182049587 1139947827 /nfs/dbraw/zinc/94/78/27/1139947827.db2.gz MRPRSTJNDISMAD-IBGZPJMESA-N 1 3 340.458 3.752 20 0 EHADHO CCSc1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000185582670 1140156691 /nfs/dbraw/zinc/15/66/91/1140156691.db2.gz UECMBCXVBKWBGA-WOJBJXKFSA-N 1 3 348.556 3.656 20 0 EHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000188445930 1140296974 /nfs/dbraw/zinc/29/69/74/1140296974.db2.gz BAFOLVCPHJBEDW-LEWJYISDSA-N 1 3 342.458 3.633 20 0 EHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000188445930 1140296978 /nfs/dbraw/zinc/29/69/78/1140296978.db2.gz BAFOLVCPHJBEDW-LEWJYISDSA-N 1 3 342.458 3.633 20 0 EHADHO Cc1cc(C)c(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1C ZINC000271198326 1141323635 /nfs/dbraw/zinc/32/36/35/1141323635.db2.gz ICLBLMGNVHAPIF-UHFFFAOYSA-N 1 3 343.559 3.602 20 0 EHADHO Cc1cc(Cl)ccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477656 1032072763 /nfs/dbraw/zinc/07/27/63/1032072763.db2.gz ZBPSBYFOGBMIPR-UYAOXDASSA-N 1 3 342.870 3.994 20 0 EHADHO CCC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000459411594 1032081202 /nfs/dbraw/zinc/08/12/02/1032081202.db2.gz QGAMPHBKTMJBIV-UHFFFAOYSA-N 1 3 340.895 3.656 20 0 EHADHO CCC(CC)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000430140578 1014169595 /nfs/dbraw/zinc/16/95/95/1014169595.db2.gz OWBBYSRUURHFAY-SLFFLAALSA-N 1 3 330.516 3.692 20 0 EHADHO Cc1sccc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000339394617 1014328653 /nfs/dbraw/zinc/32/86/53/1014328653.db2.gz ISLWVPFSOPJAAX-UHFFFAOYSA-N 1 3 330.497 3.819 20 0 EHADHO CN(Cc1cnc(-c2ccccc2F)s1)CC1CC[NH+](C)CC1 ZINC000449023836 1032097459 /nfs/dbraw/zinc/09/74/59/1032097459.db2.gz VHWZMVMMZIQPCF-UHFFFAOYSA-N 1 3 333.476 3.723 20 0 EHADHO CC(C)COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000236678343 1016701452 /nfs/dbraw/zinc/70/14/52/1016701452.db2.gz IRVYHUWZXFFANQ-KDURUIRLSA-N 1 3 348.531 3.700 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc2cnccc2o1 ZINC000657840200 1032196473 /nfs/dbraw/zinc/19/64/73/1032196473.db2.gz BWDILSZKEYKVRW-HNNXBMFYSA-N 1 3 339.439 3.619 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000538306911 1032287141 /nfs/dbraw/zinc/28/71/41/1032287141.db2.gz GSDLABBRLAORNZ-UHFFFAOYSA-N 1 3 346.544 3.701 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000538306911 1032287153 /nfs/dbraw/zinc/28/71/53/1032287153.db2.gz GSDLABBRLAORNZ-UHFFFAOYSA-N 1 3 346.544 3.701 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2OC(F)F)C1 ZINC000459730132 1032434835 /nfs/dbraw/zinc/43/48/35/1032434835.db2.gz JWMZBGREVVDFBK-LBPRGKRZSA-N 1 3 332.822 3.763 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2OC(F)F)C1 ZINC000459730132 1032434838 /nfs/dbraw/zinc/43/48/38/1032434838.db2.gz JWMZBGREVVDFBK-LBPRGKRZSA-N 1 3 332.822 3.763 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000602023471 1032595829 /nfs/dbraw/zinc/59/58/29/1032595829.db2.gz XSSNWLCYVANPGF-ATZDWAIDSA-N 1 3 344.499 3.536 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000237668181 1017119447 /nfs/dbraw/zinc/11/94/47/1017119447.db2.gz JNZZWDYIJDGSDF-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO C[C@@H](CCC[NH3+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000415019652 1017406407 /nfs/dbraw/zinc/40/64/07/1017406407.db2.gz IGSVSQXOFJZBAL-GOEBONIOSA-N 1 3 329.513 3.633 20 0 EHADHO CCc1c2ccccc2oc1[C@@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655705223 1017422246 /nfs/dbraw/zinc/42/22/46/1017422246.db2.gz ZZMBUVPDVCTPQX-WBVHZDCISA-N 1 3 342.483 3.899 20 0 EHADHO CCN(CC)c1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059124 1017471869 /nfs/dbraw/zinc/47/18/69/1017471869.db2.gz ULLCAJBWOTZIQX-KRWDZBQOSA-N 1 3 332.517 3.559 20 0 EHADHO COc1cc2c(c(CN[C@@H](CCC[NH3+])c3ccccc3)c1)O[C@H](C)C2 ZINC000415061055 1017489151 /nfs/dbraw/zinc/48/91/51/1017489151.db2.gz XRYNPCXGDOFMNB-QRWLVFNGSA-N 1 3 340.467 3.588 20 0 EHADHO c1cnn(Cc2ccccc2CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415112982 1017567382 /nfs/dbraw/zinc/56/73/82/1017567382.db2.gz SBGFHZOIDVTWAD-VXKWHMMOSA-N 1 3 346.478 3.514 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924616381 1018055816 /nfs/dbraw/zinc/05/58/16/1018055816.db2.gz CCWXQTQFXXFUSO-OAQYLSRUSA-N 1 3 325.500 3.555 20 0 EHADHO C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123277859 1018234277 /nfs/dbraw/zinc/23/42/77/1018234277.db2.gz ODYWZVDTICEATR-XJKSGUPXSA-N 1 3 333.863 3.910 20 0 EHADHO C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123277859 1018234289 /nfs/dbraw/zinc/23/42/89/1018234289.db2.gz ODYWZVDTICEATR-XJKSGUPXSA-N 1 3 333.863 3.910 20 0 EHADHO CN(Cc1cccc(Br)c1Cl)CC1CC[NH2+]CC1 ZINC000706474947 1018684664 /nfs/dbraw/zinc/68/46/64/1018684664.db2.gz RXTIXMHIBJJGOF-UHFFFAOYSA-N 1 3 331.685 3.534 20 0 EHADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576398350 1018929556 /nfs/dbraw/zinc/92/95/56/1018929556.db2.gz DNJKLCVPPVPIBV-OAQYLSRUSA-N 1 3 341.543 3.648 20 0 EHADHO Cc1nc(C)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000683897792 1019143874 /nfs/dbraw/zinc/14/38/74/1019143874.db2.gz HMSTZLHIFTWTSU-UHFFFAOYSA-N 1 3 327.472 3.635 20 0 EHADHO Cc1nc(C)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000683897792 1019143883 /nfs/dbraw/zinc/14/38/83/1019143883.db2.gz HMSTZLHIFTWTSU-UHFFFAOYSA-N 1 3 327.472 3.635 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561613 1032811115 /nfs/dbraw/zinc/81/11/15/1032811115.db2.gz WDFNGGUSVWILTA-HZTRTUMWSA-N 1 3 349.906 3.580 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561613 1032811125 /nfs/dbraw/zinc/81/11/25/1032811125.db2.gz WDFNGGUSVWILTA-HZTRTUMWSA-N 1 3 349.906 3.580 20 0 EHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)C[C@@H](C)[NH3+])o1 ZINC000580431122 1019354323 /nfs/dbraw/zinc/35/43/23/1019354323.db2.gz DQDXGIWKNUPTJX-HUUCEWRRSA-N 1 3 338.455 3.656 20 0 EHADHO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224749 1019441170 /nfs/dbraw/zinc/44/11/70/1019441170.db2.gz VQDJKHNRSPDQOZ-UWVAXJGDSA-N 1 3 330.516 3.956 20 0 EHADHO C[C@@H](Cc1cccc(O)c1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224749 1019441182 /nfs/dbraw/zinc/44/11/82/1019441182.db2.gz VQDJKHNRSPDQOZ-UWVAXJGDSA-N 1 3 330.516 3.956 20 0 EHADHO FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCCN(C[C@H]3CCCO3)C2)C1 ZINC001279467555 1019718005 /nfs/dbraw/zinc/71/80/05/1019718005.db2.gz OGTDNNCUFSVXQK-IAGOWNOFSA-N 1 3 348.453 3.686 20 0 EHADHO FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCCN(C[C@H]3CCCO3)C2)C1 ZINC001279467555 1019718024 /nfs/dbraw/zinc/71/80/24/1019718024.db2.gz OGTDNNCUFSVXQK-IAGOWNOFSA-N 1 3 348.453 3.686 20 0 EHADHO C[NH+]1CCC2(CCCN(Cc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000894230296 1019789818 /nfs/dbraw/zinc/78/98/18/1019789818.db2.gz CPGFRJOKFOLHDP-UHFFFAOYSA-N 1 3 347.450 3.556 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000311060552 1020295270 /nfs/dbraw/zinc/29/52/70/1020295270.db2.gz JVMLOADRJSYQKB-LLVKDONJSA-N 1 3 331.323 3.675 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000501144803 1020731523 /nfs/dbraw/zinc/73/15/23/1020731523.db2.gz WDNIKHYICIOMEC-UHFFFAOYSA-N 1 3 339.527 3.688 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000501144803 1020731532 /nfs/dbraw/zinc/73/15/32/1020731532.db2.gz WDNIKHYICIOMEC-UHFFFAOYSA-N 1 3 339.527 3.688 20 0 EHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1SC ZINC000656786746 1021350424 /nfs/dbraw/zinc/35/04/24/1021350424.db2.gz XCYRPFRHEUKWDF-QGZVFWFLSA-N 1 3 334.529 3.629 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000164477638 1021448418 /nfs/dbraw/zinc/44/84/18/1021448418.db2.gz PBGOFXCXBUZHTG-QGZVFWFLSA-N 1 3 343.515 3.729 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479144 1021468337 /nfs/dbraw/zinc/46/83/37/1021468337.db2.gz GDYPDQSZPOQCCX-MSOLQXFVSA-N 1 3 345.531 3.991 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479144 1021468349 /nfs/dbraw/zinc/46/83/49/1021468349.db2.gz GDYPDQSZPOQCCX-MSOLQXFVSA-N 1 3 345.531 3.991 20 0 EHADHO C[C@@H](CCC[NH3+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000415019655 1022161828 /nfs/dbraw/zinc/16/18/28/1022161828.db2.gz IGSVSQXOFJZBAL-HOCLYGCPSA-N 1 3 329.513 3.633 20 0 EHADHO Cc1nc(C)c(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000471832920 1022474823 /nfs/dbraw/zinc/47/48/23/1022474823.db2.gz PLQLEQSSZDESPM-OALUTQOASA-N 1 3 343.540 3.932 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438217000 1022478582 /nfs/dbraw/zinc/47/85/82/1022478582.db2.gz VBAZRJSHWZPQTO-QGZVFWFLSA-N 1 3 336.907 3.568 20 0 EHADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414928995 1022634103 /nfs/dbraw/zinc/63/41/03/1022634103.db2.gz QXHIKSPDOYOYAY-RBUKOAKNSA-N 1 3 340.467 3.634 20 0 EHADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OCCC(C)C ZINC000506927085 1023017877 /nfs/dbraw/zinc/01/78/77/1023017877.db2.gz HCOPJRKLPLYNIJ-UHFFFAOYSA-N 1 3 348.531 3.894 20 0 EHADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000574392438 1033107854 /nfs/dbraw/zinc/10/78/54/1033107854.db2.gz AVLNWSJGMHEDAW-ZDUSSCGKSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCNCC1(C)C)c1cccc(Br)c1 ZINC000414982160 1023273650 /nfs/dbraw/zinc/27/36/50/1023273650.db2.gz YNVXFSZHKOFHGX-DOMZBBRYSA-N 1 3 325.294 3.530 20 0 EHADHO C[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000092562452 1023451087 /nfs/dbraw/zinc/45/10/87/1023451087.db2.gz HJRDLGUUDIPRTK-WWDZGPRUSA-N 1 3 338.536 3.599 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105526 1024138112 /nfs/dbraw/zinc/13/81/12/1024138112.db2.gz RPRHAYBBAOFUNH-CJNGLKHVSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105526 1024138117 /nfs/dbraw/zinc/13/81/17/1024138117.db2.gz RPRHAYBBAOFUNH-CJNGLKHVSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105526 1024138122 /nfs/dbraw/zinc/13/81/22/1024138122.db2.gz RPRHAYBBAOFUNH-CJNGLKHVSA-N 1 3 330.394 3.968 20 0 EHADHO C[NH+]1CCC(CN2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000895353453 1024370496 /nfs/dbraw/zinc/37/04/96/1024370496.db2.gz UQWQIHUPSOWPCH-UHFFFAOYSA-N 1 3 327.497 3.510 20 0 EHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853114 1024402320 /nfs/dbraw/zinc/40/23/20/1024402320.db2.gz RVJGNNAHMWPGNG-DYVFJYSZSA-N 1 3 337.895 3.554 20 0 EHADHO C[C@@H]1C[C@@H](NCCO[C@@H]2CCCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168028523 1024508962 /nfs/dbraw/zinc/50/89/62/1024508962.db2.gz PEGMIWMOWACOBM-KOUHRCEDSA-N 1 3 346.515 3.561 20 0 EHADHO C[C@@H]1C[C@@H](NCCO[C@@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028523 1024508973 /nfs/dbraw/zinc/50/89/73/1024508973.db2.gz PEGMIWMOWACOBM-KOUHRCEDSA-N 1 3 346.515 3.561 20 0 EHADHO CCCc1cc(CN)nn1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029580 1024547650 /nfs/dbraw/zinc/54/76/50/1024547650.db2.gz TWUXSMPGSRQCBO-IRXDYDNUSA-N 1 3 340.515 3.908 20 0 EHADHO CCCc1cc(CN)nn1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168029579 1024549015 /nfs/dbraw/zinc/54/90/15/1024549015.db2.gz TWUXSMPGSRQCBO-IAGOWNOFSA-N 1 3 340.515 3.908 20 0 EHADHO Fc1ccc(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000469811086 1024782037 /nfs/dbraw/zinc/78/20/37/1024782037.db2.gz UEWIKTJXWAZUSD-ZWKOTPCHSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(CC2CCN([C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000469811086 1024782045 /nfs/dbraw/zinc/78/20/45/1024782045.db2.gz UEWIKTJXWAZUSD-ZWKOTPCHSA-N 1 3 334.454 3.846 20 0 EHADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OCc1cccs1 ZINC000435390286 1024875904 /nfs/dbraw/zinc/87/59/04/1024875904.db2.gz QYXOYCMKEFZSCE-UHFFFAOYSA-N 1 3 346.496 3.506 20 0 EHADHO C[NH+]1CCC(CCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346552789 1024892165 /nfs/dbraw/zinc/89/21/65/1024892165.db2.gz JBGHDJUKVBKWFD-FQEVSTJZSA-N 1 3 327.447 3.632 20 0 EHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657310405 1024978064 /nfs/dbraw/zinc/97/80/64/1024978064.db2.gz MDJVCYYFILFWTE-QGZVFWFLSA-N 1 3 343.540 3.531 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1OC ZINC000474598372 1025196103 /nfs/dbraw/zinc/19/61/03/1025196103.db2.gz OZNZPAMNKRTTOE-BBWFWOEESA-N 1 3 334.504 3.517 20 0 EHADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000346869161 1025264017 /nfs/dbraw/zinc/26/40/17/1025264017.db2.gz SYNPRNHJLBFVHK-SJLPKXTDSA-N 1 3 332.488 3.763 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC000521269442 1025304131 /nfs/dbraw/zinc/30/41/31/1025304131.db2.gz ALGBAIAIDCERLJ-UHFFFAOYSA-N 1 3 337.467 3.788 20 0 EHADHO COc1ccc2c(c1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167960157 1025340711 /nfs/dbraw/zinc/34/07/11/1025340711.db2.gz WODRYASFHJOIBN-WVVQBRDUSA-N 1 3 340.511 3.548 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000474037399 1025428583 /nfs/dbraw/zinc/42/85/83/1025428583.db2.gz QOLGJFYTHRIFSZ-BZUAXINKSA-N 1 3 332.479 3.679 20 0 EHADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1Cl ZINC000442890180 1025570548 /nfs/dbraw/zinc/57/05/48/1025570548.db2.gz NPWHBFRDGUGKGU-GOSISDBHSA-N 1 3 337.939 3.653 20 0 EHADHO Cc1nc(CN2CCC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000443058118 1025692749 /nfs/dbraw/zinc/69/27/49/1025692749.db2.gz JIQPBWHUTYJMIX-AWEZNQCLSA-N 1 3 333.863 3.864 20 0 EHADHO Cc1nccn1CCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000428275833 1025980950 /nfs/dbraw/zinc/98/09/50/1025980950.db2.gz YINSVVNSOJXVKT-UHFFFAOYSA-N 1 3 348.494 3.553 20 0 EHADHO Cc1nccn1CCC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000428275833 1025980965 /nfs/dbraw/zinc/98/09/65/1025980965.db2.gz YINSVVNSOJXVKT-UHFFFAOYSA-N 1 3 348.494 3.553 20 0 EHADHO C[C@H]1C[NH+](CCC2CCN(Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000530701283 1026229825 /nfs/dbraw/zinc/22/98/25/1026229825.db2.gz CECNZFWJODJABK-IRXDYDNUSA-N 1 3 334.479 3.537 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378457 1026865693 /nfs/dbraw/zinc/86/56/93/1026865693.db2.gz NKYIKAYLFVPNFW-GDBMZVCRSA-N 1 3 344.421 3.932 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC000531378457 1026865697 /nfs/dbraw/zinc/86/56/97/1026865697.db2.gz NKYIKAYLFVPNFW-GDBMZVCRSA-N 1 3 344.421 3.932 20 0 EHADHO CCN1CC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066652 1026938567 /nfs/dbraw/zinc/93/85/67/1026938567.db2.gz QUKRRZPAJFNBFN-CEQLMSFQSA-N 1 3 343.559 3.844 20 0 EHADHO CCN1CC[N@@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066652 1026938573 /nfs/dbraw/zinc/93/85/73/1026938573.db2.gz QUKRRZPAJFNBFN-CEQLMSFQSA-N 1 3 343.559 3.844 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OCCC(C)C ZINC000531682998 1027206601 /nfs/dbraw/zinc/20/66/01/1027206601.db2.gz XYMIBBYHSJOCJG-YQVWRLOYSA-N 1 3 348.531 3.938 20 0 EHADHO CC(C)N1CCC([N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000501330945 1027208968 /nfs/dbraw/zinc/20/89/68/1027208968.db2.gz REVIBZQKXYCZBS-UHFFFAOYSA-N 1 3 344.421 3.889 20 0 EHADHO CC(C)N1CCC([N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000501330945 1027208980 /nfs/dbraw/zinc/20/89/80/1027208980.db2.gz REVIBZQKXYCZBS-UHFFFAOYSA-N 1 3 344.421 3.889 20 0 EHADHO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126658799 1027226157 /nfs/dbraw/zinc/22/61/57/1027226157.db2.gz CTHGSEFOCXLYAY-HSZRJFAPSA-N 1 3 349.522 3.520 20 0 EHADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562852 1027304772 /nfs/dbraw/zinc/30/47/72/1027304772.db2.gz JIUFNMOIMKLHQJ-PMACEKPBSA-N 1 3 341.543 3.646 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000420304195 1027453657 /nfs/dbraw/zinc/45/36/57/1027453657.db2.gz LFEXQVWHTFMCGD-XLIONFOSSA-N 1 3 328.431 3.714 20 0 EHADHO CC[N@H+](C[C@H](CN)c1ccc(OC)cc1)[C@H](C)c1cccc(OC)c1 ZINC000420317088 1027462378 /nfs/dbraw/zinc/46/23/78/1027462378.db2.gz NBEWTEVNCGEQLK-APWZRJJASA-N 1 3 342.483 3.829 20 0 EHADHO CC[N@@H+](C[C@H](CN)c1ccc(OC)cc1)[C@H](C)c1cccc(OC)c1 ZINC000420317088 1027462389 /nfs/dbraw/zinc/46/23/89/1027462389.db2.gz NBEWTEVNCGEQLK-APWZRJJASA-N 1 3 342.483 3.829 20 0 EHADHO CC1(C)CNCC[C@H]1[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000420373412 1027498827 /nfs/dbraw/zinc/49/88/27/1027498827.db2.gz ZCMPZRFUSSXLDG-MRXNPFEDSA-N 1 3 344.421 3.842 20 0 EHADHO CSc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657612615 1027628459 /nfs/dbraw/zinc/62/84/59/1027628459.db2.gz BEWSDMRITLQLRR-UHFFFAOYSA-N 1 3 347.553 3.867 20 0 EHADHO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657613000 1027631141 /nfs/dbraw/zinc/63/11/41/1027631141.db2.gz TVYKYWCWBHEWEI-UZLBHIALSA-N 1 3 339.483 3.800 20 0 EHADHO CC1(C)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1OCc1ccccc1 ZINC000475567978 1027645709 /nfs/dbraw/zinc/64/57/09/1027645709.db2.gz FEZPVIZHKFWSKM-TZWRJOPASA-N 1 3 342.527 3.977 20 0 EHADHO c1cc(CN2CCC(C[NH2+]Cc3ccc(C4CC4)cc3)CC2)ccn1 ZINC000657613615 1027651346 /nfs/dbraw/zinc/65/13/46/1027651346.db2.gz OGCMXKTVJUAXNW-UHFFFAOYSA-N 1 3 335.495 3.961 20 0 EHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422739645 1027904691 /nfs/dbraw/zinc/90/46/91/1027904691.db2.gz ALXNVHFUNCDWJV-BBRMVZONSA-N 1 3 337.305 3.588 20 0 EHADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2ccccc2Br)CC1 ZINC000422775512 1027932271 /nfs/dbraw/zinc/93/22/71/1027932271.db2.gz BOXHRSQHLQOKQD-HOTGVXAUSA-N 1 3 337.305 3.730 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422784382 1027939935 /nfs/dbraw/zinc/93/99/35/1027939935.db2.gz LYMOTCRCUBKRKG-BBRMVZONSA-N 1 3 326.406 3.844 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422787809 1027940910 /nfs/dbraw/zinc/94/09/10/1027940910.db2.gz QMLONUMNDZUTQX-WBVHZDCISA-N 1 3 327.472 3.667 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCSc1ccc(F)cc1 ZINC000422763552 1027945927 /nfs/dbraw/zinc/94/59/27/1027945927.db2.gz OVLNVNJKIJVLOG-DNVCBOLYSA-N 1 3 332.488 3.856 20 0 EHADHO CN1CCCC[C@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167625398 1027951537 /nfs/dbraw/zinc/95/15/37/1027951537.db2.gz WWHVMKQZLDWNKG-KRWDZBQOSA-N 1 3 330.520 3.723 20 0 EHADHO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422790358 1027963619 /nfs/dbraw/zinc/96/36/19/1027963619.db2.gz TXQNWCWJKURQGW-MGPUTAFESA-N 1 3 327.472 3.905 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cnccc1N ZINC000422883316 1028016277 /nfs/dbraw/zinc/01/62/77/1028016277.db2.gz QLEANGNFFTVSGR-SJORKVTESA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cnccc1N ZINC000422883316 1028016294 /nfs/dbraw/zinc/01/62/94/1028016294.db2.gz QLEANGNFFTVSGR-SJORKVTESA-N 1 3 338.499 3.577 20 0 EHADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422898320 1028033465 /nfs/dbraw/zinc/03/34/65/1028033465.db2.gz LVXPXQSCHRBNDP-AWEZNQCLSA-N 1 3 347.890 3.930 20 0 EHADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OC1CCCC1 ZINC000422933765 1028062392 /nfs/dbraw/zinc/06/23/92/1028062392.db2.gz DSAMCYVFLJIBSA-WMZOPIPTSA-N 1 3 332.488 3.624 20 0 EHADHO c1ccc(C2(N[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)cc1 ZINC000422943182 1028071102 /nfs/dbraw/zinc/07/11/02/1028071102.db2.gz QMUFIABRONYAAK-FPOVZHCZSA-N 1 3 334.463 3.911 20 0 EHADHO [NH3+][C@@H]1C[C@H](Nc2cccc(CN3CCSCC3)c2)c2ccccc21 ZINC000422955793 1028095321 /nfs/dbraw/zinc/09/53/21/1028095321.db2.gz NLKOSCRUQFLRKN-UXHICEINSA-N 1 3 339.508 3.792 20 0 EHADHO COc1ccc([C@H](N[C@H](C)CCC[NH3+])c2ccccc2OC)cc1 ZINC000423003361 1028116467 /nfs/dbraw/zinc/11/64/67/1028116467.db2.gz LTECZNHYVHBSQR-QRWLVFNGSA-N 1 3 328.456 3.510 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004394 1028118681 /nfs/dbraw/zinc/11/86/81/1028118681.db2.gz OWLOFJUNKRSGSL-CVEARBPZSA-N 1 3 330.394 3.515 20 0 EHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000423002701 1028119279 /nfs/dbraw/zinc/11/92/79/1028119279.db2.gz ZHKCDQXSUBFEHX-PBWFPOADSA-N 1 3 337.305 3.599 20 0 EHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423009427 1028122559 /nfs/dbraw/zinc/12/25/59/1028122559.db2.gz VPCQTMILHVQUHA-SFTDATJTSA-N 1 3 341.499 3.661 20 0 EHADHO CCC1(CNCc2ccc(CO)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000533583867 1028123264 /nfs/dbraw/zinc/12/32/64/1028123264.db2.gz JQZATJFVNVNBIV-UHFFFAOYSA-N 1 3 342.483 3.554 20 0 EHADHO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423010988 1028123662 /nfs/dbraw/zinc/12/36/62/1028123662.db2.gz HSFRVANCJJSXKO-ZDUSSCGKSA-N 1 3 347.890 3.794 20 0 EHADHO CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423048314 1028132896 /nfs/dbraw/zinc/13/28/96/1028132896.db2.gz IIZXCYPDBUSDPY-IXDOHACOSA-N 1 3 343.437 3.558 20 0 EHADHO CN(C)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423048314 1028132900 /nfs/dbraw/zinc/13/29/00/1028132900.db2.gz IIZXCYPDBUSDPY-IXDOHACOSA-N 1 3 343.437 3.558 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccnc(Oc2ccccc2F)c1 ZINC000423089313 1028176221 /nfs/dbraw/zinc/17/62/21/1028176221.db2.gz SAMWHLLZRYABKQ-WBVHZDCISA-N 1 3 329.419 3.620 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(Br)s2)CCC1 ZINC000423098973 1028183066 /nfs/dbraw/zinc/18/30/66/1028183066.db2.gz DPGNJIPVAIEBDJ-GHMZBOCLSA-N 1 3 331.323 3.648 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423108351 1028201675 /nfs/dbraw/zinc/20/16/75/1028201675.db2.gz RAXPKSRFBVTAOB-MDASCCDHSA-N 1 3 336.907 3.785 20 0 EHADHO FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000503936376 1028239604 /nfs/dbraw/zinc/23/96/04/1028239604.db2.gz GBAPTWPHJIPFJG-IAGOWNOFSA-N 1 3 330.463 3.924 20 0 EHADHO FC(F)O[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000503936376 1028239619 /nfs/dbraw/zinc/23/96/19/1028239619.db2.gz GBAPTWPHJIPFJG-IAGOWNOFSA-N 1 3 330.463 3.924 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337538 1028340993 /nfs/dbraw/zinc/34/09/93/1028340993.db2.gz OIBOSPMYCSUSAM-QZTJIDSGSA-N 1 3 349.588 3.984 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337538 1028341008 /nfs/dbraw/zinc/34/10/08/1028341008.db2.gz OIBOSPMYCSUSAM-QZTJIDSGSA-N 1 3 349.588 3.984 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319075 1028348408 /nfs/dbraw/zinc/34/84/08/1028348408.db2.gz LOHBRNLKOIBLIA-JLTOFOAXSA-N 1 3 328.431 3.793 20 0 EHADHO COc1cc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000423294948 1028352919 /nfs/dbraw/zinc/35/29/19/1028352919.db2.gz VTTOUCUTOXMZDB-KGLIPLIRSA-N 1 3 344.455 3.583 20 0 EHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Br)c1 ZINC000423362914 1028389127 /nfs/dbraw/zinc/38/91/27/1028389127.db2.gz UDNGNZXHIXWSAX-GFCCVEGCSA-N 1 3 331.257 3.903 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000423365981 1028392146 /nfs/dbraw/zinc/39/21/46/1028392146.db2.gz BITUASBVKCAHLE-YRGRVCCFSA-N 1 3 341.318 3.846 20 0 EHADHO COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423387396 1028401472 /nfs/dbraw/zinc/40/14/72/1028401472.db2.gz MQXKAJVJTKSIAH-SFHVURJKSA-N 1 3 326.465 3.625 20 0 EHADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000060453200 1028410801 /nfs/dbraw/zinc/41/08/01/1028410801.db2.gz XQPIOFOQHILJFE-GOSISDBHSA-N 1 3 345.531 3.523 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@@H](C)[C@@H](C)[NH3+])nc1 ZINC000423479968 1028465267 /nfs/dbraw/zinc/46/52/67/1028465267.db2.gz VSTQVNJLEXBRLG-SIFCLUCFSA-N 1 3 345.918 3.777 20 0 EHADHO CCCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000583025139 1028568564 /nfs/dbraw/zinc/56/85/64/1028568564.db2.gz QOEPMFQQQOXQIY-LJQANCHMSA-N 1 3 346.515 3.696 20 0 EHADHO Cc1sc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000246549939 1028656311 /nfs/dbraw/zinc/65/63/11/1028656311.db2.gz WLTGSNDAKLHUAD-ROUUACIJSA-N 1 3 341.524 3.877 20 0 EHADHO Cc1sc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000246549939 1028656319 /nfs/dbraw/zinc/65/63/19/1028656319.db2.gz WLTGSNDAKLHUAD-ROUUACIJSA-N 1 3 341.524 3.877 20 0 EHADHO Cc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773638 1028792835 /nfs/dbraw/zinc/79/28/35/1028792835.db2.gz DQKCZOAIGJYXIP-OLZOCXBDSA-N 1 3 343.334 3.641 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1[C@H](C)CC[C@H]1C ZINC000247269926 1028768763 /nfs/dbraw/zinc/76/87/63/1028768763.db2.gz YBFRATSNZANDHJ-KZNAEPCWSA-N 1 3 343.515 3.525 20 0 EHADHO c1csc(CCN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248402806 1028893748 /nfs/dbraw/zinc/89/37/48/1028893748.db2.gz NTYREDRZIDVDGO-FHWLQOOXSA-N 1 3 341.524 3.576 20 0 EHADHO c1csc(CCN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248402806 1028893770 /nfs/dbraw/zinc/89/37/70/1028893770.db2.gz NTYREDRZIDVDGO-FHWLQOOXSA-N 1 3 341.524 3.576 20 0 EHADHO C[C@H]1CC2(CN1Cc1csc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424283278 1028955035 /nfs/dbraw/zinc/95/50/35/1028955035.db2.gz BEWSNXUXHHYABM-AWEZNQCLSA-N 1 3 345.487 3.913 20 0 EHADHO Cc1nc2c(s1)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000162579831 1029029467 /nfs/dbraw/zinc/02/94/67/1029029467.db2.gz JDIDCZWUYDBUJR-KRWDZBQOSA-N 1 3 345.512 3.559 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000414794420 1029104111 /nfs/dbraw/zinc/10/41/11/1029104111.db2.gz FQEAYSXVNDHLEJ-SZVBFZGTSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cscn1 ZINC000271862052 1029205826 /nfs/dbraw/zinc/20/58/26/1029205826.db2.gz ZOSDNDKAEPEGOD-INIZCTEOSA-N 1 3 345.512 3.511 20 0 EHADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000271918413 1029228458 /nfs/dbraw/zinc/22/84/58/1029228458.db2.gz ZKDHUILIBLQLIV-NSHDSACASA-N 1 3 330.806 3.854 20 0 EHADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000271918413 1029228473 /nfs/dbraw/zinc/22/84/73/1029228473.db2.gz ZKDHUILIBLQLIV-NSHDSACASA-N 1 3 330.806 3.854 20 0 EHADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000271918411 1029230144 /nfs/dbraw/zinc/23/01/44/1029230144.db2.gz ZKDHUILIBLQLIV-LLVKDONJSA-N 1 3 330.806 3.854 20 0 EHADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000271918411 1029230161 /nfs/dbraw/zinc/23/01/61/1029230161.db2.gz ZKDHUILIBLQLIV-LLVKDONJSA-N 1 3 330.806 3.854 20 0 EHADHO Cc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000414807640 1029232828 /nfs/dbraw/zinc/23/28/28/1029232828.db2.gz RMEDCDBKCVECST-IEBWSBKVSA-N 1 3 325.456 3.789 20 0 EHADHO c1nc2ccccc2n1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000161533441 1029234854 /nfs/dbraw/zinc/23/48/54/1029234854.db2.gz LUWMWOVIUJQLNR-UHFFFAOYSA-N 1 3 340.515 3.813 20 0 EHADHO CCCC[C@@H](C[NH3+])N[C@@H](C)Cc1ccc(Br)cc1F ZINC000414816732 1029371517 /nfs/dbraw/zinc/37/15/17/1029371517.db2.gz QIJCTWVDVXATCW-FZMZJTMJSA-N 1 3 331.273 3.626 20 0 EHADHO O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000897533644 1029403050 /nfs/dbraw/zinc/40/30/50/1029403050.db2.gz JJSKRLTVYDPJLI-LILSUDLASA-N 1 3 342.527 3.570 20 0 EHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501145 1029487170 /nfs/dbraw/zinc/48/71/70/1029487170.db2.gz LKCXNRPDWBZKQG-YADHBBJMSA-N 1 3 348.490 3.724 20 0 EHADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000162603932 1029798580 /nfs/dbraw/zinc/79/85/80/1029798580.db2.gz BNRXXHZWXRKYTK-QVKFZJNVSA-N 1 3 342.458 3.789 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2COC)[C@H](C)C1 ZINC000508727223 1029835677 /nfs/dbraw/zinc/83/56/77/1029835677.db2.gz PBOKPVBYQLHPEF-LDQLGUEGSA-N 1 3 330.516 3.898 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2COC)[C@H](C)C1 ZINC000508727223 1029835683 /nfs/dbraw/zinc/83/56/83/1029835683.db2.gz PBOKPVBYQLHPEF-LDQLGUEGSA-N 1 3 330.516 3.898 20 0 EHADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000525484684 1029865596 /nfs/dbraw/zinc/86/55/96/1029865596.db2.gz KFPLOOFTCCJPEZ-OKZBNKHCSA-N 1 3 343.515 3.872 20 0 EHADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000525484684 1029865603 /nfs/dbraw/zinc/86/56/03/1029865603.db2.gz KFPLOOFTCCJPEZ-OKZBNKHCSA-N 1 3 343.515 3.872 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000481735937 1029895058 /nfs/dbraw/zinc/89/50/58/1029895058.db2.gz BEFBKUXQDAQRGB-ZFWWWQNUSA-N 1 3 325.294 3.638 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000481735937 1029895079 /nfs/dbraw/zinc/89/50/79/1029895079.db2.gz BEFBKUXQDAQRGB-ZFWWWQNUSA-N 1 3 325.294 3.638 20 0 EHADHO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453276728 1030014793 /nfs/dbraw/zinc/01/47/93/1030014793.db2.gz MXXLEQLLEQGZGJ-FVTFTPSCSA-N 1 3 344.543 3.675 20 0 EHADHO Cc1ccncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453323958 1030104865 /nfs/dbraw/zinc/10/48/65/1030104865.db2.gz KFSXCEVDNOIVIR-VSKRKVRLSA-N 1 3 335.495 3.923 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1ccc(OCC(F)(F)F)cc1 ZINC000650718596 1030150141 /nfs/dbraw/zinc/15/01/41/1030150141.db2.gz RXNLGSVAQRQBPQ-UHFFFAOYSA-N 1 3 338.373 3.637 20 0 EHADHO Cc1cnccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771322 1030154644 /nfs/dbraw/zinc/15/46/44/1030154644.db2.gz BGCZWSHOPCJUEK-NRFANRHFSA-N 1 3 335.495 3.782 20 0 EHADHO c1ccc([C@@H](CC2CC2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000531969547 1030172870 /nfs/dbraw/zinc/17/28/70/1030172870.db2.gz KZUWTWKCQVKSLK-WIYYLYMNSA-N 1 3 328.500 3.618 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(Br)cc1 ZINC000531995237 1030246375 /nfs/dbraw/zinc/24/63/75/1030246375.db2.gz JCBPPEWSUJUFJA-MAZHCROVSA-N 1 3 325.294 3.973 20 0 EHADHO Cc1ccncc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657773840 1030262896 /nfs/dbraw/zinc/26/28/96/1030262896.db2.gz UOTOZFKXHNVLQW-OAQYLSRUSA-N 1 3 335.495 3.782 20 0 EHADHO FC1(F)CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000453422662 1030272700 /nfs/dbraw/zinc/27/27/00/1030272700.db2.gz MZLAGKJCHFCYPV-GBESFXJTSA-N 1 3 334.454 3.922 20 0 EHADHO CCC(C)(C)OCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000453421143 1030274503 /nfs/dbraw/zinc/27/45/03/1030274503.db2.gz YIIXKGDBMUNHRK-SFHVURJKSA-N 1 3 332.532 3.877 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000121702021 1030349790 /nfs/dbraw/zinc/34/97/90/1030349790.db2.gz NOGOROSUIRDNBY-XLIONFOSSA-N 1 3 340.515 3.816 20 0 EHADHO C[C@H]1C[C@@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168091687 1030412710 /nfs/dbraw/zinc/41/27/10/1030412710.db2.gz BGYPYIJNASFLDB-BBRMVZONSA-N 1 3 342.405 3.523 20 0 EHADHO CN(Cc1ccc(-c2ccncc2)cc1F)CC1CC[NH+](C)CC1 ZINC000093088677 1030559219 /nfs/dbraw/zinc/55/92/19/1030559219.db2.gz IXBLUVCVSCJCLT-UHFFFAOYSA-N 1 3 327.447 3.661 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CNc4ccccc4C2)C3)cc1 ZINC000650748964 1030588827 /nfs/dbraw/zinc/58/88/27/1030588827.db2.gz DEHRRYPMYIVRBH-MYGLTJDJSA-N 1 3 347.506 3.808 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CNc4ccccc4C2)C3)cc1 ZINC000650748964 1030588843 /nfs/dbraw/zinc/58/88/43/1030588843.db2.gz DEHRRYPMYIVRBH-MYGLTJDJSA-N 1 3 347.506 3.808 20 0 EHADHO CSc1ccc([C@@H](CNC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000550940186 1030811907 /nfs/dbraw/zinc/81/19/07/1030811907.db2.gz YQHMOSKWDXINKI-LJQANCHMSA-N 1 3 349.588 3.864 20 0 EHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@@H+]1C ZINC000483732395 1031307014 /nfs/dbraw/zinc/30/70/14/1031307014.db2.gz QQVGYQXMHSGJFW-AXAPSJFSSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC[N@H+]1C ZINC000483732395 1031307028 /nfs/dbraw/zinc/30/70/28/1031307028.db2.gz QQVGYQXMHSGJFW-AXAPSJFSSA-N 1 3 328.378 3.645 20 0 EHADHO C[C@H]1C[C@@H](NC[C@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549340 1031335865 /nfs/dbraw/zinc/33/58/65/1031335865.db2.gz VQBAGFMWIMTFEO-NDXORKPFSA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H]1C[C@@H](NC[C@H](O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000278549340 1031335879 /nfs/dbraw/zinc/33/58/79/1031335879.db2.gz VQBAGFMWIMTFEO-NDXORKPFSA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000527990934 1031548924 /nfs/dbraw/zinc/54/89/24/1031548924.db2.gz SKLCPHUJSXPHRI-KDXIVRHGSA-N 1 3 335.495 3.685 20 0 EHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)s2)cc1 ZINC000484486608 1031603844 /nfs/dbraw/zinc/60/38/44/1031603844.db2.gz CBOSWWCFGKOLAS-RDTXWAMCSA-N 1 3 330.497 3.854 20 0 EHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)s2)cc1 ZINC000484486608 1031603858 /nfs/dbraw/zinc/60/38/58/1031603858.db2.gz CBOSWWCFGKOLAS-RDTXWAMCSA-N 1 3 330.497 3.854 20 0 EHADHO C[C@@H]1C[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@@H+]1C ZINC000178073004 1031618838 /nfs/dbraw/zinc/61/88/38/1031618838.db2.gz CHRFQHGVUXLTJD-YLJYHZDGSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@@H]1C[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073004 1031618847 /nfs/dbraw/zinc/61/88/47/1031618847.db2.gz CHRFQHGVUXLTJD-YLJYHZDGSA-N 1 3 348.494 3.657 20 0 EHADHO CC[NH+]1CCC(N[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657826043 1031672685 /nfs/dbraw/zinc/67/26/85/1031672685.db2.gz QNFFGMXYQRXKGJ-OAHLLOKOSA-N 1 3 342.483 3.992 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376656 1032008048 /nfs/dbraw/zinc/00/80/48/1032008048.db2.gz WNUXHRUUUFODDM-KBRIMQKVSA-N 1 3 342.405 3.624 20 0 EHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376658 1032008320 /nfs/dbraw/zinc/00/83/20/1032008320.db2.gz WNUXHRUUUFODDM-XYPHTWIQSA-N 1 3 342.405 3.624 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CN[C@H]2COC3(CCC3)C2)CC1 ZINC000657837434 1032038552 /nfs/dbraw/zinc/03/85/52/1032038552.db2.gz FVJOYBVRKJZAQG-HXUWFJFHSA-N 1 3 328.500 3.720 20 0 EHADHO Cc1ncccc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000898249741 1033407632 /nfs/dbraw/zinc/40/76/32/1033407632.db2.gz DLEDDKFNGTTYLH-BVSLBCMMSA-N 1 3 335.495 3.575 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708584870 1033574270 /nfs/dbraw/zinc/57/42/70/1033574270.db2.gz FHJRUDGNZLZZNZ-BVOGOJNSSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657919978 1033650718 /nfs/dbraw/zinc/65/07/18/1033650718.db2.gz SPMNKPPRSXGFOJ-ZNMIVQPWSA-N 1 3 341.446 3.559 20 0 EHADHO CN1CCC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000108429004 1033814890 /nfs/dbraw/zinc/81/48/90/1033814890.db2.gz HAVJXAFKFZRYAV-GFCCVEGCSA-N 1 3 341.282 3.701 20 0 EHADHO C[NH+](C)C1CCC(N2CCc3cccc(Br)c3C2)CC1 ZINC001168318750 1033996906 /nfs/dbraw/zinc/99/69/06/1033996906.db2.gz FGJIJZSCVDNPES-UHFFFAOYSA-N 1 3 337.305 3.680 20 0 EHADHO CCc1cccnc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165757 1034029780 /nfs/dbraw/zinc/02/97/80/1034029780.db2.gz LOASBZWBYBVNBR-KRWDZBQOSA-N 1 3 338.499 3.602 20 0 EHADHO c1cc2c(o1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166835 1034031874 /nfs/dbraw/zinc/03/18/74/1034031874.db2.gz POXSFVLCBOTCQS-LJQANCHMSA-N 1 3 325.456 3.554 20 0 EHADHO C[NH+](C)C1CCC(N2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC001168327865 1034180640 /nfs/dbraw/zinc/18/06/40/1034180640.db2.gz RPKLKDOFXABCNO-UHFFFAOYSA-N 1 3 326.406 3.936 20 0 EHADHO C[C@@H](c1ccc(Br)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152361522 1035760526 /nfs/dbraw/zinc/76/05/26/1035760526.db2.gz HUPQJOHQPJXQHS-UONOGXRCSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@@H](c1ccc(Br)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152361522 1035760534 /nfs/dbraw/zinc/76/05/34/1035760534.db2.gz HUPQJOHQPJXQHS-UONOGXRCSA-N 1 3 325.294 3.784 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CO)cc1 ZINC000282472010 1035809954 /nfs/dbraw/zinc/80/99/54/1035809954.db2.gz KUGACSLPGOCOQK-NRFANRHFSA-N 1 3 338.495 3.569 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CO)cc1 ZINC000282472010 1035809976 /nfs/dbraw/zinc/80/99/76/1035809976.db2.gz KUGACSLPGOCOQK-NRFANRHFSA-N 1 3 338.495 3.569 20 0 EHADHO C[C@@](O)(CCNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000187927835 1035868660 /nfs/dbraw/zinc/86/86/60/1035868660.db2.gz IAZWYUFHYGTZNY-OAQYLSRUSA-N 1 3 330.516 3.671 20 0 EHADHO Cc1cccc(OCC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464837636 1036850168 /nfs/dbraw/zinc/85/01/68/1036850168.db2.gz MARYAIQAMKCUHZ-OAQYLSRUSA-N 1 3 338.495 3.828 20 0 EHADHO Cc1cccc(OCC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464837636 1036850188 /nfs/dbraw/zinc/85/01/88/1036850188.db2.gz MARYAIQAMKCUHZ-OAQYLSRUSA-N 1 3 338.495 3.828 20 0 EHADHO CC[NH+]1CCC(NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000539625566 1037000175 /nfs/dbraw/zinc/00/01/75/1037000175.db2.gz LJJSZIVRPPFZJJ-UHFFFAOYSA-N 1 3 337.305 3.902 20 0 EHADHO COCCCN1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171095558 1037456712 /nfs/dbraw/zinc/45/67/12/1037456712.db2.gz KEMPMOZGUJESAG-UHFFFAOYSA-N 1 3 346.446 3.676 20 0 EHADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000151661799 1037510179 /nfs/dbraw/zinc/51/01/79/1037510179.db2.gz UHGMANDKOXNHGB-KRWDZBQOSA-N 1 3 326.488 3.643 20 0 EHADHO CCCN(CCN1CCCCC1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415935802 1037677564 /nfs/dbraw/zinc/67/75/64/1037677564.db2.gz SLSJXOUFRBOVSS-UHFFFAOYSA-N 1 3 346.519 3.526 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N1CCC(C)CC1 ZINC000463119592 1037785219 /nfs/dbraw/zinc/78/52/19/1037785219.db2.gz PJPLGISGYCYQMQ-TUNNFDKTSA-N 1 3 343.559 3.750 20 0 EHADHO CC(C)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463136876 1037800000 /nfs/dbraw/zinc/80/00/00/1037800000.db2.gz HTAQXIUKMMIWCO-HLAWJBBLSA-N 1 3 331.548 3.605 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000173319261 1038027806 /nfs/dbraw/zinc/02/78/06/1038027806.db2.gz ZQEAGIHZAQMOBX-GOSISDBHSA-N 1 3 331.548 3.662 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccccc3)cc2)CC1 ZINC000173327120 1038035019 /nfs/dbraw/zinc/03/50/19/1038035019.db2.gz PVTRDIRFMRJBRC-IBGZPJMESA-N 1 3 337.511 3.675 20 0 EHADHO C[N@H+](CCN1CCN([C@@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549425363 1038545657 /nfs/dbraw/zinc/54/56/57/1038545657.db2.gz JFCWDBGAVFHJLS-JOCHJYFZSA-N 1 3 341.543 3.625 20 0 EHADHO C[N@@H+](CCN1CCN([C@@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549425363 1038545662 /nfs/dbraw/zinc/54/56/62/1038545662.db2.gz JFCWDBGAVFHJLS-JOCHJYFZSA-N 1 3 341.543 3.625 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)ccc1OC ZINC000183098690 1038670149 /nfs/dbraw/zinc/67/01/49/1038670149.db2.gz LIPYDEYKKZDQFW-OXQOHEQNSA-N 1 3 334.504 3.757 20 0 EHADHO Cc1ccc(CC[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000539073020 1038670535 /nfs/dbraw/zinc/67/05/35/1038670535.db2.gz GYGABILPQRUXKN-UFYCRDLUSA-N 1 3 332.532 3.795 20 0 EHADHO Cc1ccc(CNC[C@@H](C)C[NH+]2CCCCC2)c(-c2ccnn2C)c1 ZINC000584577935 1038875708 /nfs/dbraw/zinc/87/57/08/1038875708.db2.gz AFBFKNGEVZRTGA-GOSISDBHSA-N 1 3 340.515 3.607 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@](C)(O)C2CCCCC2)CC1 ZINC000477867455 1038978069 /nfs/dbraw/zinc/97/80/69/1038978069.db2.gz UBHFMIRDSJJEPR-UIFIKXQLSA-N 1 3 336.564 3.950 20 0 EHADHO c1csc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)n1 ZINC001168360422 1039077416 /nfs/dbraw/zinc/07/74/16/1039077416.db2.gz PNMXBVKOKDXOTI-UHFFFAOYSA-N 1 3 327.497 3.774 20 0 EHADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282538399 1039137213 /nfs/dbraw/zinc/13/72/13/1039137213.db2.gz WDZUWKHQNQMYTD-NRFANRHFSA-N 1 3 343.559 3.751 20 0 EHADHO COCCOc1cccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924704316 1039370488 /nfs/dbraw/zinc/37/04/88/1039370488.db2.gz DFFMXDJEHQEVCK-QGZVFWFLSA-N 1 3 342.483 3.624 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCCC[C@@H]1C ZINC000480609812 1039749799 /nfs/dbraw/zinc/74/97/99/1039749799.db2.gz KETWYJLHZXGBQB-DYQZNNLLSA-N 1 3 343.559 3.750 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554881851 1039901324 /nfs/dbraw/zinc/90/13/24/1039901324.db2.gz FOLHEZQXQWLUOX-QZTJIDSGSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000554881851 1039901340 /nfs/dbraw/zinc/90/13/40/1039901340.db2.gz FOLHEZQXQWLUOX-QZTJIDSGSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000554881851 1039901356 /nfs/dbraw/zinc/90/13/56/1039901356.db2.gz FOLHEZQXQWLUOX-QZTJIDSGSA-N 1 3 345.531 3.847 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC000549803654 1039918235 /nfs/dbraw/zinc/91/82/35/1039918235.db2.gz BIASZCBBQKXUGV-FHWLQOOXSA-N 1 3 338.536 3.743 20 0 EHADHO COc1cccc(SCCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000659843457 1040048535 /nfs/dbraw/zinc/04/85/35/1040048535.db2.gz VIYICKBCTWXKBT-UHFFFAOYSA-N 1 3 334.529 3.595 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1c(Cl)cccc1Cl)C2 ZINC000512562419 1040129268 /nfs/dbraw/zinc/12/92/68/1040129268.db2.gz VMMSXMOAUGISDN-PBWFPOADSA-N 1 3 343.298 3.929 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1c(Cl)cccc1Cl)C2 ZINC000512562419 1040129277 /nfs/dbraw/zinc/12/92/77/1040129277.db2.gz VMMSXMOAUGISDN-PBWFPOADSA-N 1 3 343.298 3.929 20 0 EHADHO CCN(CC)c1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924721409 1040227975 /nfs/dbraw/zinc/22/79/75/1040227975.db2.gz FRFNOMPLTXFVHQ-QGZVFWFLSA-N 1 3 340.515 3.840 20 0 EHADHO Cc1nc2c(o1)CCC[C@@H]2NCC1CC[NH+](Cc2cccs2)CC1 ZINC000924865802 1040343895 /nfs/dbraw/zinc/34/38/95/1040343895.db2.gz IYNXVVYWOGVCOQ-KRWDZBQOSA-N 1 3 345.512 3.924 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000512637450 1040361767 /nfs/dbraw/zinc/36/17/67/1040361767.db2.gz VYNKRZDHQPILDE-FDFHNCONSA-N 1 3 342.527 3.693 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000162862485 1040507880 /nfs/dbraw/zinc/50/78/80/1040507880.db2.gz HMRDLFNNRVMRDV-OKYOBFRVSA-N 1 3 348.531 3.666 20 0 EHADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)C2)c1 ZINC000925684558 1041155113 /nfs/dbraw/zinc/15/51/13/1041155113.db2.gz BHQARUNNRONNSY-JYAXBFRTSA-N 1 3 328.500 3.699 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(Br)cc1 ZINC000020128749 1041180498 /nfs/dbraw/zinc/18/04/98/1041180498.db2.gz RQBDMKPLSLTRON-AWEZNQCLSA-N 1 3 325.294 3.976 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CN[C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667928786 1041280518 /nfs/dbraw/zinc/28/05/18/1041280518.db2.gz JCTFBINUTHFLNY-NHCUHLMSSA-N 1 3 328.500 3.576 20 0 EHADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000651699968 1041942009 /nfs/dbraw/zinc/94/20/09/1041942009.db2.gz NUKRMUWCOUVDQI-VQTJNVASSA-N 1 3 332.532 3.592 20 0 EHADHO CC[NH+]1CCC(CCNCc2nc(C(C)C)n3ccccc23)CC1 ZINC000651723013 1041964976 /nfs/dbraw/zinc/96/49/76/1041964976.db2.gz AFMGLEBHFBIFOB-UHFFFAOYSA-N 1 3 328.504 3.669 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000164447737 1042244753 /nfs/dbraw/zinc/24/47/53/1042244753.db2.gz ANMQINFJUPGMLH-MRXNPFEDSA-N 1 3 345.487 3.558 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000662201502 1042587175 /nfs/dbraw/zinc/58/71/75/1042587175.db2.gz MGFGKCBGIOYTEL-NRFANRHFSA-N 1 3 335.580 3.695 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000662201502 1042587178 /nfs/dbraw/zinc/58/71/78/1042587178.db2.gz MGFGKCBGIOYTEL-NRFANRHFSA-N 1 3 335.580 3.695 20 0 EHADHO c1nc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)oc1-c1ccccc1 ZINC000662293808 1042663640 /nfs/dbraw/zinc/66/36/40/1042663640.db2.gz OCYHBLDBYLITAE-SFHVURJKSA-N 1 3 325.456 3.553 20 0 EHADHO COc1ccc([C@@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)cc1F ZINC000662307278 1042674843 /nfs/dbraw/zinc/67/48/43/1042674843.db2.gz YQGRJCUOGZXHDD-FQEVSTJZSA-N 1 3 340.442 3.817 20 0 EHADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432371258 1043017794 /nfs/dbraw/zinc/01/77/94/1043017794.db2.gz XUTYTXSTMIDLFA-CYBMUJFWSA-N 1 3 331.287 3.584 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432425521 1043174921 /nfs/dbraw/zinc/17/49/21/1043174921.db2.gz NAOMOVPFDYKZCJ-QZTJIDSGSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432425521 1043174931 /nfs/dbraw/zinc/17/49/31/1043174931.db2.gz NAOMOVPFDYKZCJ-QZTJIDSGSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)[C@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000279582069 1044251355 /nfs/dbraw/zinc/25/13/55/1044251355.db2.gz GWJLEJORHQBUGW-YADHBBJMSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)[C@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000279582069 1044251364 /nfs/dbraw/zinc/25/13/64/1044251364.db2.gz GWJLEJORHQBUGW-YADHBBJMSA-N 1 3 343.559 3.528 20 0 EHADHO Clc1cccc2c1CC[C@H]2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000154755399 1125753823 /nfs/dbraw/zinc/75/38/23/1125753823.db2.gz RGVWCUHOHUSDKP-HXUWFJFHSA-N 1 3 348.918 3.904 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc4c[nH]nc4c3)CC2)C1 ZINC000671301754 1126888313 /nfs/dbraw/zinc/88/83/13/1126888313.db2.gz SXVZUNMBNJEYFO-OXQOHEQNSA-N 1 3 340.515 3.738 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc4c[nH]nc4c3)CC2)C1 ZINC000671301753 1126888609 /nfs/dbraw/zinc/88/86/09/1126888609.db2.gz SXVZUNMBNJEYFO-OXJNMPFZSA-N 1 3 340.515 3.738 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477673 1126967621 /nfs/dbraw/zinc/96/76/21/1126967621.db2.gz OMLLRWSZWYJLKG-ZIAGYGMSSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477673 1126967623 /nfs/dbraw/zinc/96/76/23/1126967623.db2.gz OMLLRWSZWYJLKG-ZIAGYGMSSA-N 1 3 339.886 3.520 20 0 EHADHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000623656759 1127007123 /nfs/dbraw/zinc/00/71/23/1127007123.db2.gz BEJBUSPMWHCPSC-SFHVURJKSA-N 1 3 349.950 3.626 20 0 EHADHO CCN(Cc1ccc2c[nH]nc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100003 1127120882 /nfs/dbraw/zinc/12/08/82/1127120882.db2.gz GAGORSASNAMORB-HXUWFJFHSA-N 1 3 348.494 3.907 20 0 EHADHO CCN(Cc1ccc2c[nH]nc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100003 1127120884 /nfs/dbraw/zinc/12/08/84/1127120884.db2.gz GAGORSASNAMORB-HXUWFJFHSA-N 1 3 348.494 3.907 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(C)ccc1C ZINC000623920897 1127217131 /nfs/dbraw/zinc/21/71/31/1127217131.db2.gz BLTKVQCIKWPOEG-PCCBWWKXSA-N 1 3 330.516 3.722 20 0 EHADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623998119 1127229714 /nfs/dbraw/zinc/22/97/14/1127229714.db2.gz HMTAFGSMSQPGKD-INIZCTEOSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623998119 1127229716 /nfs/dbraw/zinc/22/97/16/1127229716.db2.gz HMTAFGSMSQPGKD-INIZCTEOSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368566027 1127416799 /nfs/dbraw/zinc/41/67/99/1127416799.db2.gz GPQNYCMGGOVJAU-YSIASYRMSA-N 1 3 336.479 3.663 20 0 EHADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000383765972 1127557008 /nfs/dbraw/zinc/55/70/08/1127557008.db2.gz FSLFBMBPQPRCHI-ZSYWTGECSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000105480542 1127960622 /nfs/dbraw/zinc/96/06/22/1127960622.db2.gz HMACHRFEVPBKAU-IERDGZPVSA-N 1 3 342.458 3.835 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000105480542 1127960623 /nfs/dbraw/zinc/96/06/23/1127960623.db2.gz HMACHRFEVPBKAU-IERDGZPVSA-N 1 3 342.458 3.835 20 0 EHADHO CC(C)(C)OCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723292 1128131099 /nfs/dbraw/zinc/13/10/99/1128131099.db2.gz MBXZNIZIKNRWPF-OAQYLSRUSA-N 1 3 330.516 3.790 20 0 EHADHO CC(C)(C)OCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723292 1128131102 /nfs/dbraw/zinc/13/11/02/1128131102.db2.gz MBXZNIZIKNRWPF-OAQYLSRUSA-N 1 3 330.516 3.790 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671746641 1128186359 /nfs/dbraw/zinc/18/63/59/1128186359.db2.gz ORJMVPNJGNFVTG-AWEZNQCLSA-N 1 3 339.439 3.836 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671746641 1128186360 /nfs/dbraw/zinc/18/63/60/1128186360.db2.gz ORJMVPNJGNFVTG-AWEZNQCLSA-N 1 3 339.439 3.836 20 0 EHADHO Fc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855121 1128507230 /nfs/dbraw/zinc/50/72/30/1128507230.db2.gz CKMBNRZTQNJDTJ-CABCVRRESA-N 1 3 328.378 3.534 20 0 EHADHO Fc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855121 1128507233 /nfs/dbraw/zinc/50/72/33/1128507233.db2.gz CKMBNRZTQNJDTJ-CABCVRRESA-N 1 3 328.378 3.534 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000232668431 1121138109 /nfs/dbraw/zinc/13/81/09/1121138109.db2.gz OMGZMEXTFNTWCX-GOEBONIOSA-N 1 3 339.321 3.700 20 0 EHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC000125915965 1122358665 /nfs/dbraw/zinc/35/86/65/1122358665.db2.gz ZRJAYQIMZCJBPY-QAPCUYQASA-N 1 3 347.503 3.660 20 0 EHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccs1 ZINC000126690044 1122419203 /nfs/dbraw/zinc/41/92/03/1122419203.db2.gz JHPABLYDLDCKNQ-IBGZPJMESA-N 1 3 343.540 3.736 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000131196251 1123058510 /nfs/dbraw/zinc/05/85/10/1123058510.db2.gz IYEJNMJKTMWKFY-NWDGAFQWSA-N 1 3 329.257 3.581 20 0 EHADHO CC(C)CN(Cc1occc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552438 1124018753 /nfs/dbraw/zinc/01/87/53/1124018753.db2.gz QEDVICMAXBDBAR-JOCQHMNTSA-N 1 3 329.282 3.770 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@@H](C)C1 ZINC000246845261 1124557731 /nfs/dbraw/zinc/55/77/31/1124557731.db2.gz BDBBQUOYTUTNLH-QFBILLFUSA-N 1 3 325.456 3.694 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@@H](C)C1 ZINC000247188406 1124593592 /nfs/dbraw/zinc/59/35/92/1124593592.db2.gz ZTFNJHSVMSPTGB-KXBFYZLASA-N 1 3 343.446 3.833 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247220127 1124595897 /nfs/dbraw/zinc/59/58/97/1124595897.db2.gz WJCQPVPYWVHSLV-GOEBONIOSA-N 1 3 344.421 3.756 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000248726090 1124693580 /nfs/dbraw/zinc/69/35/80/1124693580.db2.gz URJXEBPKXDXIHM-HZSPNIEDSA-N 1 3 330.925 3.942 20 0 EHADHO Cc1cc(C)c([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000090937097 1124946216 /nfs/dbraw/zinc/94/62/16/1124946216.db2.gz ZJWQKVWXTIXULH-SFHVURJKSA-N 1 3 341.499 3.798 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000091288705 1124974783 /nfs/dbraw/zinc/97/47/83/1124974783.db2.gz WGNCBAGPDBRWGG-HSZRJFAPSA-N 1 3 349.522 3.675 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc1CN1CCCCC1 ZINC000182566558 1125334988 /nfs/dbraw/zinc/33/49/88/1125334988.db2.gz RRZOCMBOJVVLKF-YLJYHZDGSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1CN1CCCCC1 ZINC000182704619 1125356376 /nfs/dbraw/zinc/35/63/76/1125356376.db2.gz NOAPBVKNAUICEH-KRWDZBQOSA-N 1 3 346.515 3.758 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cc1CN1CCCCC1 ZINC000183007453 1125418450 /nfs/dbraw/zinc/41/84/50/1125418450.db2.gz HELLTMKRACLQFS-KURKYZTESA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1CN1CCCCC1 ZINC000183098767 1125443753 /nfs/dbraw/zinc/44/37/53/1125443753.db2.gz VXWLATNWVMSOER-LAUBAEHRSA-N 1 3 346.515 3.901 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)ccc1OC ZINC000183120090 1125447336 /nfs/dbraw/zinc/44/73/36/1125447336.db2.gz VMYKBCMHWLAUPX-ABSDTBQOSA-N 1 3 348.531 3.739 20 0 EHADHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009309 1129693911 /nfs/dbraw/zinc/69/39/11/1129693911.db2.gz OLYWKBJLXYXDMF-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009309 1129693913 /nfs/dbraw/zinc/69/39/13/1129693913.db2.gz OLYWKBJLXYXDMF-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO C[C@@H](c1ccc(Br)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246791564 1130413464 /nfs/dbraw/zinc/41/34/64/1130413464.db2.gz HUPQJOHQPJXQHS-KBPBESRZSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@@H](c1ccc(Br)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246791564 1130413466 /nfs/dbraw/zinc/41/34/66/1130413466.db2.gz HUPQJOHQPJXQHS-KBPBESRZSA-N 1 3 325.294 3.784 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCc3c2cccc3C)[C@@H](C)C1 ZINC000675885288 1130502137 /nfs/dbraw/zinc/50/21/37/1130502137.db2.gz ONMYZAAVFMXRKJ-YYWHXJBOSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3c2cccc3C)[C@@H](C)C1 ZINC000675885288 1130502141 /nfs/dbraw/zinc/50/21/41/1130502141.db2.gz ONMYZAAVFMXRKJ-YYWHXJBOSA-N 1 3 330.516 3.709 20 0 EHADHO CCc1ccc(C[C@@H](C)[NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)cc1 ZINC001173243989 1132015167 /nfs/dbraw/zinc/01/51/67/1132015167.db2.gz RAIBBWXSSYBTAV-GCJKJVERSA-N 1 3 344.543 3.755 20 0 EHADHO CCSC[C@H](C)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001173294230 1132030157 /nfs/dbraw/zinc/03/01/57/1132030157.db2.gz FZAIRQJEOGBSQY-AWEZNQCLSA-N 1 3 326.937 3.817 20 0 EHADHO CCSC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC001173296727 1132031147 /nfs/dbraw/zinc/03/11/47/1132031147.db2.gz VWEMQEVEWSKYTB-CQSZACIVSA-N 1 3 326.937 3.817 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169096907 1132653319 /nfs/dbraw/zinc/65/33/19/1132653319.db2.gz ZPWMVQROFUPZFV-NNZMDNLPSA-N 1 3 345.487 3.748 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119911 1132664521 /nfs/dbraw/zinc/66/45/21/1132664521.db2.gz YKRCXBANGJAMIU-BURNTYAHSA-N 1 3 328.500 3.759 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119911 1132664525 /nfs/dbraw/zinc/66/45/25/1132664525.db2.gz YKRCXBANGJAMIU-BURNTYAHSA-N 1 3 328.500 3.759 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109325 1132671577 /nfs/dbraw/zinc/67/15/77/1132671577.db2.gz AUAAWMHZZRANQW-VWPFQQQWSA-N 1 3 339.405 3.766 20 0 EHADHO CCC[C@](C)(NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891247 1133007756 /nfs/dbraw/zinc/00/77/56/1133007756.db2.gz CIABDTMUOXFJMM-VXKWHMMOSA-N 1 3 340.511 3.784 20 0 EHADHO CCC[C@](C)(NC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891247 1133007763 /nfs/dbraw/zinc/00/77/63/1133007763.db2.gz CIABDTMUOXFJMM-VXKWHMMOSA-N 1 3 340.511 3.784 20 0 EHADHO c1ccc2c(c1)cncc2CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001177245217 1133044689 /nfs/dbraw/zinc/04/46/89/1133044689.db2.gz MXIDVBMPGSZJTC-UHFFFAOYSA-N 1 3 331.463 3.773 20 0 EHADHO c1ccc2c(c1)cncc2CNCCC[N@H+]1CCc2ccccc2C1 ZINC001177245217 1133044695 /nfs/dbraw/zinc/04/46/95/1133044695.db2.gz MXIDVBMPGSZJTC-UHFFFAOYSA-N 1 3 331.463 3.773 20 0 EHADHO Cc1cc(C)cc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001181374600 1133481422 /nfs/dbraw/zinc/48/14/22/1133481422.db2.gz ZZMUMFVGSYMVDU-ZRZAMGCNSA-N 1 3 334.507 3.910 20 0 EHADHO Cc1cc(C)cc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001181374600 1133481426 /nfs/dbraw/zinc/48/14/26/1133481426.db2.gz ZZMUMFVGSYMVDU-ZRZAMGCNSA-N 1 3 334.507 3.910 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001184135187 1133897767 /nfs/dbraw/zinc/89/77/67/1133897767.db2.gz MNWXHUNYLRZBQV-OCCSQVGLSA-N 1 3 343.298 3.692 20 0 EHADHO CCc1cc(CN[C@@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)n[nH]1 ZINC000775394302 1134714148 /nfs/dbraw/zinc/71/41/48/1134714148.db2.gz KTADMOLIYVWMTG-HNNXBMFYSA-N 1 3 344.503 3.673 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)OC)cc1CN1CCCCC1 ZINC000775399083 1134724692 /nfs/dbraw/zinc/72/46/92/1134724692.db2.gz DBPGMAHGIZFZAP-MRXNPFEDSA-N 1 3 334.504 3.757 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1CN1CCCCC1 ZINC000775413262 1134756525 /nfs/dbraw/zinc/75/65/25/1134756525.db2.gz ZPMGOTGNPBIHJH-QAPCUYQASA-N 1 3 334.529 3.837 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001192918894 1135073497 /nfs/dbraw/zinc/07/34/97/1135073497.db2.gz PRVJLYDVKQEFAN-IRXDYDNUSA-N 1 3 344.421 3.680 20 0 EHADHO CN(Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738771 1135883446 /nfs/dbraw/zinc/88/34/46/1135883446.db2.gz IYAZWXFASIXFKR-UHFFFAOYSA-N 1 3 340.496 3.832 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNCc2cnc3c(C)cccn23)c1 ZINC001199376359 1135901615 /nfs/dbraw/zinc/90/16/15/1135901615.db2.gz FENYQEKRUKKLGY-UHFFFAOYSA-N 1 3 336.483 3.774 20 0 EHADHO CC[C@H](C)CN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510104 1136030653 /nfs/dbraw/zinc/03/06/53/1136030653.db2.gz XPTWOVWISNYDAS-FUHWJXTLSA-N 1 3 337.458 3.661 20 0 EHADHO CC[C@H](C)CN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510104 1136030656 /nfs/dbraw/zinc/03/06/56/1136030656.db2.gz XPTWOVWISNYDAS-FUHWJXTLSA-N 1 3 337.458 3.661 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000813631049 1136354545 /nfs/dbraw/zinc/35/45/45/1136354545.db2.gz USBOHAZASRAGOC-HNNXBMFYSA-N 1 3 325.456 3.554 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000813631049 1136354547 /nfs/dbraw/zinc/35/45/47/1136354547.db2.gz USBOHAZASRAGOC-HNNXBMFYSA-N 1 3 325.456 3.554 20 0 EHADHO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1)C(C)(C)O ZINC000815652295 1136626714 /nfs/dbraw/zinc/62/67/14/1136626714.db2.gz WPQCODINUZEHMT-DNVCBOLYSA-N 1 3 336.520 3.737 20 0 EHADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2CCCOCC2)CC1 ZINC001170798449 1136630861 /nfs/dbraw/zinc/63/08/61/1136630861.db2.gz ARFSTRMOEYMRDC-MRXNPFEDSA-N 1 3 342.405 3.524 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccs3)C2)ccn1 ZINC000856560291 1136795728 /nfs/dbraw/zinc/79/57/28/1136795728.db2.gz HAONNLSIFYILSA-SFHVURJKSA-N 1 3 345.512 3.637 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000856560291 1136795731 /nfs/dbraw/zinc/79/57/31/1136795731.db2.gz HAONNLSIFYILSA-SFHVURJKSA-N 1 3 345.512 3.637 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2cccc(F)c2)CC1 ZINC000819078547 1136911314 /nfs/dbraw/zinc/91/13/14/1136911314.db2.gz JIQPICUSSUHCOI-IERDGZPVSA-N 1 3 342.458 3.674 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170968290 1137032852 /nfs/dbraw/zinc/03/28/52/1137032852.db2.gz CODNODDXGHJSJY-LPHOPBHVSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170968290 1137032854 /nfs/dbraw/zinc/03/28/54/1137032854.db2.gz CODNODDXGHJSJY-LPHOPBHVSA-N 1 3 326.459 3.780 20 0 EHADHO Cc1c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccnc1F ZINC000862299615 1137137884 /nfs/dbraw/zinc/13/78/84/1137137884.db2.gz DRQAKKGBXPKPGQ-LPHOPBHVSA-N 1 3 327.447 3.529 20 0 EHADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066022 1137152049 /nfs/dbraw/zinc/15/20/49/1137152049.db2.gz FRWWDIZBYMXRHA-GJZGRUSLSA-N 1 3 327.299 3.925 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866510734 1137359873 /nfs/dbraw/zinc/35/98/73/1137359873.db2.gz PDXFRRUAKXUGFS-TZIWHRDSSA-N 1 3 334.548 3.826 20 0 EHADHO CN1C(C)(C)CC([NH2+]C2(c3ccccc3)CCOCC2)CC1(C)C ZINC001171620158 1137501003 /nfs/dbraw/zinc/50/10/03/1137501003.db2.gz VTTSVFVIIRZECD-UHFFFAOYSA-N 1 3 330.516 3.933 20 0 EHADHO COC(=O)CC[N@H+](Cc1ccccc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171637378 1137504274 /nfs/dbraw/zinc/50/42/74/1137504274.db2.gz LPISHXPCZIKNIG-UHFFFAOYSA-N 1 3 346.515 3.703 20 0 EHADHO COC(=O)CC[N@@H+](Cc1ccccc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171637378 1137504276 /nfs/dbraw/zinc/50/42/76/1137504276.db2.gz LPISHXPCZIKNIG-UHFFFAOYSA-N 1 3 346.515 3.703 20 0 EHADHO C[C@H]1CN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC001171643936 1137505082 /nfs/dbraw/zinc/50/50/82/1137505082.db2.gz YNTWTYAOUUFISR-SFHVURJKSA-N 1 3 343.559 3.844 20 0 EHADHO CC1(C)C[C@@H]([NH2+]CCN2CCCCC2)CCN1Cc1ccccc1 ZINC001171966255 1137520313 /nfs/dbraw/zinc/52/03/13/1137520313.db2.gz UJNJOEHNDBOJAK-FQEVSTJZSA-N 1 3 329.532 3.505 20 0 EHADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967497 1137520911 /nfs/dbraw/zinc/52/09/11/1137520911.db2.gz ANGJQABVFMCXHQ-VQTJNVASSA-N 1 3 329.532 3.502 20 0 EHADHO CC1(C)C[C@H](N2CCN(C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976355 1137525373 /nfs/dbraw/zinc/52/53/73/1137525373.db2.gz KIJYHFVFVMWFBC-OAQYLSRUSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@H](N2CCN(C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976355 1137525374 /nfs/dbraw/zinc/52/53/74/1137525374.db2.gz KIJYHFVFVMWFBC-OAQYLSRUSA-N 1 3 341.543 3.600 20 0 EHADHO c1c(CN2CCS[C@H](c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873204456 1137594007 /nfs/dbraw/zinc/59/40/07/1137594007.db2.gz CCWWNJGBLYDPKK-SFHVURJKSA-N 1 3 330.522 3.684 20 0 EHADHO COc1ccc([C@@H](NC[C@H]2C[C@@H]([NH3+])C2)c2ccccc2Cl)cc1 ZINC000873250268 1137595316 /nfs/dbraw/zinc/59/53/16/1137595316.db2.gz FXERGUPPMNODDU-FRIZHTMISA-N 1 3 330.859 3.765 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)CC1 ZINC000879248870 1137742503 /nfs/dbraw/zinc/74/25/03/1137742503.db2.gz XFCIMBPAJITCAQ-UHFFFAOYSA-N 1 3 343.446 3.789 20 0 EHADHO CN1CC[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573715 1137751670 /nfs/dbraw/zinc/75/16/70/1137751670.db2.gz QAMCEQONTCRNMF-RDJZCZTQSA-N 1 3 326.406 3.664 20 0 EHADHO CN1CC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000879573715 1137751671 /nfs/dbraw/zinc/75/16/71/1137751671.db2.gz QAMCEQONTCRNMF-RDJZCZTQSA-N 1 3 326.406 3.664 20 0 EHADHO Cc1nc2ccccc2nc1CN(C)CCCC[NH+]1CCCCC1 ZINC000880516482 1137780406 /nfs/dbraw/zinc/78/04/06/1137780406.db2.gz MQOIXTLPZSBXMW-UHFFFAOYSA-N 1 3 326.488 3.636 20 0 EHADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176309 1137847384 /nfs/dbraw/zinc/84/73/84/1137847384.db2.gz ZYRDCSPYTOCCOS-OXQOHEQNSA-N 1 3 334.479 3.615 20 0 EHADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176309 1137847385 /nfs/dbraw/zinc/84/73/85/1137847385.db2.gz ZYRDCSPYTOCCOS-OXQOHEQNSA-N 1 3 334.479 3.615 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239014 1137850051 /nfs/dbraw/zinc/85/00/51/1137850051.db2.gz TYVWPGXWNUFWCJ-OXQOHEQNSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@@H+]1CCCC[C@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239014 1137850052 /nfs/dbraw/zinc/85/00/52/1137850052.db2.gz TYVWPGXWNUFWCJ-OXQOHEQNSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@H+]1CCCC[C@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239014 1137850053 /nfs/dbraw/zinc/85/00/53/1137850053.db2.gz TYVWPGXWNUFWCJ-OXQOHEQNSA-N 1 3 334.479 3.615 20 0 EHADHO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)C1 ZINC000883320385 1137854797 /nfs/dbraw/zinc/85/47/97/1137854797.db2.gz JVOGWOCGSWNZRS-ABSDTBQOSA-N 1 3 346.515 3.757 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000885922561 1138024974 /nfs/dbraw/zinc/02/49/74/1138024974.db2.gz DWQWDRRGARKSOQ-OAHLLOKOSA-N 1 3 326.488 3.548 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000885922561 1138024976 /nfs/dbraw/zinc/02/49/76/1138024976.db2.gz DWQWDRRGARKSOQ-OAHLLOKOSA-N 1 3 326.488 3.548 20 0 EHADHO Cc1noc(C)c1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843717 1138060696 /nfs/dbraw/zinc/06/06/96/1138060696.db2.gz JFOSARMKDVKDSR-UHFFFAOYSA-N 1 3 327.472 3.635 20 0 EHADHO Cc1noc(C)c1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843717 1138060698 /nfs/dbraw/zinc/06/06/98/1138060698.db2.gz JFOSARMKDVKDSR-UHFFFAOYSA-N 1 3 327.472 3.635 20 0 EHADHO CC(C)[C@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000886515523 1138087946 /nfs/dbraw/zinc/08/79/46/1138087946.db2.gz KTERDPKZEVKZNH-FQEVSTJZSA-N 1 3 328.504 3.747 20 0 EHADHO CC(C)[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cnn(C)c1 ZINC000886515523 1138087948 /nfs/dbraw/zinc/08/79/48/1138087948.db2.gz KTERDPKZEVKZNH-FQEVSTJZSA-N 1 3 328.504 3.747 20 0 EHADHO CC(C)C[C@@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534135 1138091433 /nfs/dbraw/zinc/09/14/33/1138091433.db2.gz BJFDGBGYJFBYAY-MLNNCEHLSA-N 1 3 344.543 3.674 20 0 EHADHO COC1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886536213 1138092688 /nfs/dbraw/zinc/09/26/88/1138092688.db2.gz CYYCIJOLGOVIQK-FNIBFVLLSA-N 1 3 342.527 3.834 20 0 EHADHO CC(C)[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605389 1138100964 /nfs/dbraw/zinc/10/09/64/1138100964.db2.gz PNSJCWZPQDFVJY-NHCUHLMSSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605389 1138100965 /nfs/dbraw/zinc/10/09/65/1138100965.db2.gz PNSJCWZPQDFVJY-NHCUHLMSSA-N 1 3 340.515 3.619 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524043 1138211218 /nfs/dbraw/zinc/21/12/18/1138211218.db2.gz FWWDVOHJDICCOT-DQLDELGASA-N 1 3 346.515 3.504 20 0 EHADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091286493 1138218125 /nfs/dbraw/zinc/21/81/25/1138218125.db2.gz SVTSTCZOIRSWSE-SJORKVTESA-N 1 3 328.504 3.736 20 0 EHADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091286493 1138218128 /nfs/dbraw/zinc/21/81/28/1138218128.db2.gz SVTSTCZOIRSWSE-SJORKVTESA-N 1 3 328.504 3.736 20 0 EHADHO CCOc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc(Cl)c1OC ZINC000092253353 1138226397 /nfs/dbraw/zinc/22/63/97/1138226397.db2.gz FIMMAFUCTLHRIG-CQSZACIVSA-N 1 3 340.895 3.521 20 0 EHADHO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc(Cl)c1OC ZINC000092253353 1138226398 /nfs/dbraw/zinc/22/63/98/1138226398.db2.gz FIMMAFUCTLHRIG-CQSZACIVSA-N 1 3 340.895 3.521 20 0 EHADHO CCCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000151120880 1139009743 /nfs/dbraw/zinc/00/97/43/1139009743.db2.gz ADUNIJYXSCSKPK-SFHVURJKSA-N 1 3 349.950 3.626 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177067018 1139595729 /nfs/dbraw/zinc/59/57/29/1139595729.db2.gz UMRDQLARGPPHQX-GOSISDBHSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177067018 1139595735 /nfs/dbraw/zinc/59/57/35/1139595735.db2.gz UMRDQLARGPPHQX-GOSISDBHSA-N 1 3 343.515 3.650 20 0 EHADHO C[C@@H]([NH2+]CCCOCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185744096 1140167709 /nfs/dbraw/zinc/16/77/09/1140167709.db2.gz HRGNDFMYODXMCA-UYAOXDASSA-N 1 3 330.516 3.836 20 0 EHADHO CC(C)Oc1cccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000192786495 1140550422 /nfs/dbraw/zinc/55/04/22/1140550422.db2.gz WYTCRIMWAACZIX-IBGZPJMESA-N 1 3 347.547 3.541 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)[C@H](C)C1 ZINC000193107392 1140564330 /nfs/dbraw/zinc/56/43/30/1140564330.db2.gz RGFWSNZJQOBYFC-CZUORRHYSA-N 1 3 330.925 3.628 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000268764219 1140985910 /nfs/dbraw/zinc/98/59/10/1140985910.db2.gz IPCJRXOVHAJXFR-PMACEKPBSA-N 1 3 347.934 3.521 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000268764219 1140985914 /nfs/dbraw/zinc/98/59/14/1140985914.db2.gz IPCJRXOVHAJXFR-PMACEKPBSA-N 1 3 347.934 3.521 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520774 1141386485 /nfs/dbraw/zinc/38/64/85/1141386485.db2.gz PMKGWWNPXBKELU-VLCRHTCISA-N 1 3 338.495 3.671 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520774 1141386493 /nfs/dbraw/zinc/38/64/93/1141386493.db2.gz PMKGWWNPXBKELU-VLCRHTCISA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccncc1[C@@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000271575987 1141401497 /nfs/dbraw/zinc/40/14/97/1141401497.db2.gz XUEGXVSBQFGGRU-QGZVFWFLSA-N 1 3 327.472 3.571 20 0 EHADHO CC(C)c1ncc(CN2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC000904459239 1032061605 /nfs/dbraw/zinc/06/16/05/1032061605.db2.gz PMFAQYYMSJVVKJ-UHFFFAOYSA-N 1 3 329.513 3.759 20 0 EHADHO C[C@@H](NC1(C[NH2+][C@@H](C)c2cnn(C)c2)CCCC1)c1ccccc1 ZINC000153841037 1014162193 /nfs/dbraw/zinc/16/21/93/1014162193.db2.gz ZOQBYCUBSGGCOU-DLBZAZTESA-N 1 3 326.488 3.734 20 0 EHADHO CCN([C@@H]1CCOC1)C1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208665774 1015163053 /nfs/dbraw/zinc/16/30/53/1015163053.db2.gz GEWWRAAATHGVEA-OAQYLSRUSA-N 1 3 344.543 3.930 20 0 EHADHO CCc1nc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000274882435 1015567403 /nfs/dbraw/zinc/56/74/03/1015567403.db2.gz HVEYJGBEAVPTNF-SJLPKXTDSA-N 1 3 343.540 3.748 20 0 EHADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000178229977 1016563857 /nfs/dbraw/zinc/56/38/57/1016563857.db2.gz XNNOYWWQUNLCMA-CYBMUJFWSA-N 1 3 337.423 3.766 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000536857455 1032354888 /nfs/dbraw/zinc/35/48/88/1032354888.db2.gz LPYJSTFGNUVCFY-QKLQHJQFSA-N 1 3 330.516 3.888 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OC1CCCC1 ZINC000536883422 1032389832 /nfs/dbraw/zinc/38/98/32/1032389832.db2.gz WKKBJWTXIOUFQR-GPMSIDNRSA-N 1 3 346.515 3.835 20 0 EHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cc(C)cs2)CC1 ZINC000449472505 1032591953 /nfs/dbraw/zinc/59/19/53/1032591953.db2.gz AOMDLHYPVNKBSX-UHFFFAOYSA-N 1 3 343.540 3.878 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]Cc2cc(C)cs2)CC1 ZINC000449472505 1032591961 /nfs/dbraw/zinc/59/19/61/1032591961.db2.gz AOMDLHYPVNKBSX-UHFFFAOYSA-N 1 3 343.540 3.878 20 0 EHADHO Cc1cccnc1CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449486334 1032641736 /nfs/dbraw/zinc/64/17/36/1032641736.db2.gz UCHDWZDPOMKTTG-QNWVGRARSA-N 1 3 349.522 3.823 20 0 EHADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000317231789 1017405501 /nfs/dbraw/zinc/40/55/01/1017405501.db2.gz LHKZDOMQAWAUTN-AWEZNQCLSA-N 1 3 346.302 3.627 20 0 EHADHO [NH3+]CCC[C@H](NCc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000415061593 1017491166 /nfs/dbraw/zinc/49/11/66/1017491166.db2.gz YTCIXPSNLJXJEW-FQEVSTJZSA-N 1 3 338.430 3.581 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415109710 1017557245 /nfs/dbraw/zinc/55/72/45/1017557245.db2.gz OCAOSAGMAVKEAW-CTNGQTDRSA-N 1 3 346.515 3.584 20 0 EHADHO c1cnn(Cc2ccc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)c1 ZINC000415120202 1017580285 /nfs/dbraw/zinc/58/02/85/1017580285.db2.gz KXOYJSUNPIVAKZ-VXKWHMMOSA-N 1 3 346.478 3.514 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000655939167 1017966888 /nfs/dbraw/zinc/96/68/88/1017966888.db2.gz COPBDQQJPYCMMQ-PZJWPPBQSA-N 1 3 346.515 3.537 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000655939747 1017967046 /nfs/dbraw/zinc/96/70/46/1017967046.db2.gz KOOISWSOBCYFFL-CTNGQTDRSA-N 1 3 346.515 3.537 20 0 EHADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000340516979 1018201541 /nfs/dbraw/zinc/20/15/41/1018201541.db2.gz YAQRFARWQSZGTR-SQGPQFPESA-N 1 3 339.483 3.651 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398014174 1018952170 /nfs/dbraw/zinc/95/21/70/1018952170.db2.gz FJVFTCNDHTVAQQ-PGRDOPGGSA-N 1 3 333.479 3.867 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398014174 1018952188 /nfs/dbraw/zinc/95/21/88/1018952188.db2.gz FJVFTCNDHTVAQQ-PGRDOPGGSA-N 1 3 333.479 3.867 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557358 1019330502 /nfs/dbraw/zinc/33/05/02/1019330502.db2.gz OKVBXAZPYMDYPG-WWMYMODYSA-N 1 3 348.494 3.844 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557358 1019330503 /nfs/dbraw/zinc/33/05/03/1019330503.db2.gz OKVBXAZPYMDYPG-WWMYMODYSA-N 1 3 348.494 3.844 20 0 EHADHO FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCCN(C[C@H]3CCCO3)C2)C1 ZINC001279467557 1019724000 /nfs/dbraw/zinc/72/40/00/1019724000.db2.gz OGTDNNCUFSVXQK-SJORKVTESA-N 1 3 348.453 3.686 20 0 EHADHO FC(F)(F)CCC[N@H+]1CCC[C@]2(CCCN(C[C@H]3CCCO3)C2)C1 ZINC001279467557 1019724017 /nfs/dbraw/zinc/72/40/17/1019724017.db2.gz OGTDNNCUFSVXQK-SJORKVTESA-N 1 3 348.453 3.686 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2cn3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000513544433 1019810385 /nfs/dbraw/zinc/81/03/85/1019810385.db2.gz HYDRJLGBSYHFFR-AZUAARDMSA-N 1 3 348.494 3.725 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544433 1019810400 /nfs/dbraw/zinc/81/04/00/1019810400.db2.gz HYDRJLGBSYHFFR-AZUAARDMSA-N 1 3 348.494 3.725 20 0 EHADHO CCN(CCOc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000345190389 1020011776 /nfs/dbraw/zinc/01/17/76/1020011776.db2.gz PBSUPSBKDGMSEE-AWEZNQCLSA-N 1 3 330.394 3.548 20 0 EHADHO CC(C)n1nccc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000280222919 1020206251 /nfs/dbraw/zinc/20/62/51/1020206251.db2.gz JAYCCEJOZUJTHU-ROUUACIJSA-N 1 3 340.515 3.710 20 0 EHADHO CN(CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CC[NH2+]C1 ZINC000647884004 1020388079 /nfs/dbraw/zinc/38/80/79/1020388079.db2.gz UENCFWMOFGYZAM-KRWDZBQOSA-N 1 3 327.472 3.596 20 0 EHADHO CC[N@@H+](Cc1ccc(COC)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818721 1032911845 /nfs/dbraw/zinc/91/18/45/1032911845.db2.gz HOOUCGHTLIALDY-LJQANCHMSA-N 1 3 342.483 3.770 20 0 EHADHO CC[N@H+](Cc1ccc(COC)o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818721 1032911861 /nfs/dbraw/zinc/91/18/61/1032911861.db2.gz HOOUCGHTLIALDY-LJQANCHMSA-N 1 3 342.483 3.770 20 0 EHADHO Cc1ccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1C ZINC000501134201 1020726830 /nfs/dbraw/zinc/72/68/30/1020726830.db2.gz YDBGSJRSIKIXCR-JOCHJYFZSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1ccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1C ZINC000501134201 1020726836 /nfs/dbraw/zinc/72/68/36/1020726836.db2.gz YDBGSJRSIKIXCR-JOCHJYFZSA-N 1 3 343.559 3.856 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000581518610 1021038091 /nfs/dbraw/zinc/03/80/91/1021038091.db2.gz KVUJQHOTJHMNMI-MHORFTMASA-N 1 3 340.433 3.870 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000581518610 1021038095 /nfs/dbraw/zinc/03/80/95/1021038095.db2.gz KVUJQHOTJHMNMI-MHORFTMASA-N 1 3 340.433 3.870 20 0 EHADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507498157 1021296219 /nfs/dbraw/zinc/29/62/19/1021296219.db2.gz UNSXVJDQEFCUSN-YSFYHYPLSA-N 1 3 344.543 3.674 20 0 EHADHO CCCN1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000607141777 1033008303 /nfs/dbraw/zinc/00/83/03/1033008303.db2.gz PCJYFPLTUXQDHQ-UHFFFAOYSA-N 1 3 335.398 3.677 20 0 EHADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415007956 1021901081 /nfs/dbraw/zinc/90/10/81/1021901081.db2.gz SAOFAQZYQRBAAE-MOXGXCLJSA-N 1 3 344.449 3.879 20 0 EHADHO CCCOc1c(CN2CCC([C@H]3CC[NH2+]C3)CC2)cccc1OCC ZINC000579230287 1022104578 /nfs/dbraw/zinc/10/45/78/1022104578.db2.gz GSICVNSTTSYISQ-SFHVURJKSA-N 1 3 346.515 3.696 20 0 EHADHO C[C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)CN(C)C ZINC000425917673 1022189486 /nfs/dbraw/zinc/18/94/86/1022189486.db2.gz DEOMAQHYWRTESB-IINYFYTJSA-N 1 3 331.323 3.749 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919692 1022203485 /nfs/dbraw/zinc/20/34/85/1022203485.db2.gz GNYQCMKYBCZZBU-YLJYHZDGSA-N 1 3 343.902 3.950 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc(Br)c3)C2)CC1 ZINC000550200893 1022721538 /nfs/dbraw/zinc/72/15/38/1022721538.db2.gz ZDEWNDQVPCHMNL-MRXNPFEDSA-N 1 3 337.305 3.613 20 0 EHADHO CN(CCCOc1ccc2ccccc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358141 1033103596 /nfs/dbraw/zinc/10/35/96/1033103596.db2.gz FDLWGWVIEKRBTQ-GOSISDBHSA-N 1 3 326.484 3.882 20 0 EHADHO CN(CCCOc1ccc2ccccc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358141 1033103600 /nfs/dbraw/zinc/10/36/00/1033103600.db2.gz FDLWGWVIEKRBTQ-GOSISDBHSA-N 1 3 326.484 3.882 20 0 EHADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092559962 1023450328 /nfs/dbraw/zinc/45/03/28/1023450328.db2.gz LTONBXMAPDHVDS-AOCRQIFASA-N 1 3 338.536 3.741 20 0 EHADHO COc1ccc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168002944 1024092114 /nfs/dbraw/zinc/09/21/14/1024092114.db2.gz FSSPFGSPNDABIU-CBQMWWCCSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168002944 1024092132 /nfs/dbraw/zinc/09/21/32/1024092132.db2.gz FSSPFGSPNDABIU-CBQMWWCCSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002944 1024092149 /nfs/dbraw/zinc/09/21/49/1024092149.db2.gz FSSPFGSPNDABIU-CBQMWWCCSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002944 1024092164 /nfs/dbraw/zinc/09/21/64/1024092164.db2.gz FSSPFGSPNDABIU-CBQMWWCCSA-N 1 3 340.511 3.890 20 0 EHADHO Cc1ccc(CC[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000895347492 1024338930 /nfs/dbraw/zinc/33/89/30/1024338930.db2.gz ZFDRTZOKNIEMIZ-UHFFFAOYSA-N 1 3 337.511 3.743 20 0 EHADHO CCN1CCC[C@H]1C[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168005893 1024376245 /nfs/dbraw/zinc/37/62/45/1024376245.db2.gz KTMIFNRMNNCBHQ-OPYAIIAOSA-N 1 3 329.532 3.502 20 0 EHADHO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000588489669 1024556710 /nfs/dbraw/zinc/55/67/10/1024556710.db2.gz MSINNZHCVWFRMV-UUSRSUCLSA-N 1 3 346.515 3.659 20 0 EHADHO C[C@@H]1CC([NH2+]Cc2cnc3ccccn23)C[C@@H](C)N1Cc1ccccc1 ZINC001168008788 1024622967 /nfs/dbraw/zinc/62/29/67/1024622967.db2.gz YAYUSEMAPFJSCT-QZTJIDSGSA-N 1 3 348.494 3.866 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nccn3c2)C[C@H](C)N1Cc1ccccc1 ZINC001168031842 1024701708 /nfs/dbraw/zinc/70/17/08/1024701708.db2.gz CQVOVMZVLCRBLF-RMFSNUHRSA-N 1 3 348.494 3.866 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000342298391 1024754772 /nfs/dbraw/zinc/75/47/72/1024754772.db2.gz KQSUDEXYVAYGCC-UHFFFAOYSA-N 1 3 348.494 3.600 20 0 EHADHO CC[N@H+](CCC1CCN([C@H](C)c2cnc(C)cn2)CC1)CC1CC1 ZINC000428300747 1025388958 /nfs/dbraw/zinc/38/89/58/1025388958.db2.gz BEXLHFLNFXMLTD-QGZVFWFLSA-N 1 3 330.520 3.680 20 0 EHADHO CC[N@@H+](CCC1CCN([C@H](C)c2cnc(C)cn2)CC1)CC1CC1 ZINC000428300747 1025388973 /nfs/dbraw/zinc/38/89/73/1025388973.db2.gz BEXLHFLNFXMLTD-QGZVFWFLSA-N 1 3 330.520 3.680 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436246182 1025494780 /nfs/dbraw/zinc/49/47/80/1025494780.db2.gz YAKKMCBCPNBTSM-YUVXSKOASA-N 1 3 344.543 3.877 20 0 EHADHO CN1CCN(CC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1(C)C ZINC000442873404 1025547450 /nfs/dbraw/zinc/54/74/50/1025547450.db2.gz KPMSZPLQTIVQSC-OAQYLSRUSA-N 1 3 343.559 3.924 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000347229240 1025696903 /nfs/dbraw/zinc/69/69/03/1025696903.db2.gz KPMRKFRJCQTKTH-ULQDDVLXSA-N 1 3 331.504 3.728 20 0 EHADHO COc1ccc2cc(CNCCC[NH2+]Cc3cccnc3)ccc2c1 ZINC000414884118 1025703393 /nfs/dbraw/zinc/70/33/93/1025703393.db2.gz UQISLBXDPFOMKY-UHFFFAOYSA-N 1 3 335.451 3.513 20 0 EHADHO COCc1cccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000158525733 1026086997 /nfs/dbraw/zinc/08/69/97/1026086997.db2.gz SJVCWHIBZGPESD-KRWDZBQOSA-N 1 3 342.483 3.624 20 0 EHADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000349718019 1026150380 /nfs/dbraw/zinc/15/03/80/1026150380.db2.gz FASLRRPENKHQQS-KRWDZBQOSA-N 1 3 340.895 3.502 20 0 EHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000530701279 1026229451 /nfs/dbraw/zinc/22/94/51/1026229451.db2.gz CECNZFWJODJABK-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000530701279 1026229459 /nfs/dbraw/zinc/22/94/59/1026229459.db2.gz CECNZFWJODJABK-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]C2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000123073292 1026948003 /nfs/dbraw/zinc/94/80/03/1026948003.db2.gz IUFWHIJEPPQPCP-FXQLRMTLSA-N 1 3 336.442 3.587 20 0 EHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000126667537 1027226992 /nfs/dbraw/zinc/22/69/92/1027226992.db2.gz LMQVQBSYHKYAIC-QFIPXVFZSA-N 1 3 337.511 3.675 20 0 EHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc(-c2ccccc2)nn1C ZINC000453073959 1027291135 /nfs/dbraw/zinc/29/11/35/1027291135.db2.gz NYNDXQRQEYTKPE-KRWDZBQOSA-N 1 3 348.494 4.000 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cc(-c2ccccc2)nn1C ZINC000453096502 1027358705 /nfs/dbraw/zinc/35/87/05/1027358705.db2.gz TVGQGBFWJUYIMU-QGZVFWFLSA-N 1 3 348.494 4.000 20 0 EHADHO CC[NH+]1CCC(CCN[C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453114614 1027386304 /nfs/dbraw/zinc/38/63/04/1027386304.db2.gz GPJNQNBNZWSMNQ-KRWDZBQOSA-N 1 3 340.515 3.860 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccncn1 ZINC000453127630 1027427806 /nfs/dbraw/zinc/42/78/06/1027427806.db2.gz PUQZGWZMKJBKSV-MRXNPFEDSA-N 1 3 336.439 3.552 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncn1 ZINC000453127630 1027427816 /nfs/dbraw/zinc/42/78/16/1027427816.db2.gz PUQZGWZMKJBKSV-MRXNPFEDSA-N 1 3 336.439 3.552 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2sccc21 ZINC000453171966 1027492978 /nfs/dbraw/zinc/49/29/78/1027492978.db2.gz XZLOHBSPGANZAG-RNJTYBCJSA-N 1 3 334.529 3.654 20 0 EHADHO Cn1c2ccccc2nc1[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420410172 1027527554 /nfs/dbraw/zinc/52/75/54/1027527554.db2.gz RDUSYNBDMGVGOW-UTKZUKDTSA-N 1 3 348.494 3.642 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607472 1027791545 /nfs/dbraw/zinc/79/15/45/1027791545.db2.gz GTCBJVHUXQOZIE-HZPDHXFCSA-N 1 3 329.513 3.960 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607472 1027791563 /nfs/dbraw/zinc/79/15/63/1027791563.db2.gz GTCBJVHUXQOZIE-HZPDHXFCSA-N 1 3 329.513 3.960 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000422835435 1027978790 /nfs/dbraw/zinc/97/87/90/1027978790.db2.gz IWIAGZQSIFNCBC-TUXXCZFBSA-N 1 3 327.447 3.962 20 0 EHADHO Cc1ccccc1C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422878971 1028012726 /nfs/dbraw/zinc/01/27/26/1028012726.db2.gz LPDAGVOPEVTABZ-LEWJYISDSA-N 1 3 336.479 3.778 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H](N[C@H](C)C[C@H](C)[NH3+])CCC3)cc1 ZINC000422909717 1028042639 /nfs/dbraw/zinc/04/26/39/1028042639.db2.gz OVWQGMUEARLMRP-WOSRLPQWSA-N 1 3 345.512 3.912 20 0 EHADHO C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422925104 1028054483 /nfs/dbraw/zinc/05/44/83/1028054483.db2.gz VCCSOALJUFJECU-PXSKOOJESA-N 1 3 348.918 3.784 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967715 1028080521 /nfs/dbraw/zinc/08/05/21/1028080521.db2.gz CGXCZTRMNNMVHU-INDMIFKZSA-N 1 3 333.520 3.563 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000422990538 1028100378 /nfs/dbraw/zinc/10/03/78/1028100378.db2.gz NPBGRAKZFHFLFA-ORYQWCPZSA-N 1 3 339.483 3.637 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC000423009315 1028122004 /nfs/dbraw/zinc/12/20/04/1028122004.db2.gz CONJPAMWBZBCCB-KFKAGJAMSA-N 1 3 334.454 3.897 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000423020699 1028130750 /nfs/dbraw/zinc/13/07/50/1028130750.db2.gz CRFQSUNJELNZBB-DPMMWBKBSA-N 1 3 345.849 3.792 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000423026029 1028136277 /nfs/dbraw/zinc/13/62/77/1028136277.db2.gz MTUQCOQVZZNBKR-KYNGSXCRSA-N 1 3 327.859 3.653 20 0 EHADHO FC(F)c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423055144 1028165785 /nfs/dbraw/zinc/16/57/85/1028165785.db2.gz VRPIVPQFAIGEQW-FXAWDEMLSA-N 1 3 344.405 3.970 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccnc(Oc2ccccc2F)c1 ZINC000423089310 1028177244 /nfs/dbraw/zinc/17/72/44/1028177244.db2.gz SAMWHLLZRYABKQ-DOTOQJQBSA-N 1 3 329.419 3.620 20 0 EHADHO Cc1cc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000502421339 1028207310 /nfs/dbraw/zinc/20/73/10/1028207310.db2.gz XVEVZQMDZJHGBB-WSTZPKSXSA-N 1 3 340.515 3.680 20 0 EHADHO Cc1cc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421339 1028207328 /nfs/dbraw/zinc/20/73/28/1028207328.db2.gz XVEVZQMDZJHGBB-WSTZPKSXSA-N 1 3 340.515 3.680 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000246337589 1028253964 /nfs/dbraw/zinc/25/39/64/1028253964.db2.gz GOUXJIPJKZIVIA-PWRODBHTSA-N 1 3 330.516 3.885 20 0 EHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCCC[NH2+]C)nc1 ZINC000423200078 1028270482 /nfs/dbraw/zinc/27/04/82/1028270482.db2.gz LPSLFMVMDIBJLY-HXUWFJFHSA-N 1 3 345.918 3.650 20 0 EHADHO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2cccc(-n3ccnn3)c2)cc1 ZINC000423252894 1028315465 /nfs/dbraw/zinc/31/54/65/1028315465.db2.gz YAVQZSYIXXEQNI-KKSFZXQISA-N 1 3 349.482 3.741 20 0 EHADHO NC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C2CC3CC(C2)CC1C3 ZINC000423528606 1028485271 /nfs/dbraw/zinc/48/52/71/1028485271.db2.gz ORVKRUJWDISPLD-FEDQQCEGSA-N 1 3 330.903 3.550 20 0 EHADHO [NH3+]C1(CN[C@H]2Cc3ccc(Cl)cc3C2)C2CC3CC(C2)CC1C3 ZINC000423528606 1028485282 /nfs/dbraw/zinc/48/52/82/1028485282.db2.gz ORVKRUJWDISPLD-FEDQQCEGSA-N 1 3 330.903 3.550 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)CC(F)(F)F)CC1 ZINC000414524433 1028486955 /nfs/dbraw/zinc/48/69/55/1028486955.db2.gz GUKJDIDVCIBZAI-HNNXBMFYSA-N 1 3 343.437 3.507 20 0 EHADHO CCCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000583025138 1028567978 /nfs/dbraw/zinc/56/79/78/1028567978.db2.gz QOEPMFQQQOXQIY-IBGZPJMESA-N 1 3 346.515 3.696 20 0 EHADHO CCN1CC[C@H]([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000248172022 1028857119 /nfs/dbraw/zinc/85/71/19/1028857119.db2.gz UYBVQXMIHZDDCZ-OPYAIIAOSA-N 1 3 329.532 3.532 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248442215 1028904365 /nfs/dbraw/zinc/90/43/65/1028904365.db2.gz KRHRYEMUEDAYBY-FOIQADDNSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248442215 1028904380 /nfs/dbraw/zinc/90/43/80/1028904380.db2.gz KRHRYEMUEDAYBY-FOIQADDNSA-N 1 3 344.886 3.757 20 0 EHADHO COC[C@@H](NC1CCC([NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000421873207 1028905163 /nfs/dbraw/zinc/90/51/63/1028905163.db2.gz HNVZBGWSMCDCCW-SEEARECTSA-N 1 3 328.859 3.629 20 0 EHADHO Cc1cc(C[NH3+])cc(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000424249413 1028911472 /nfs/dbraw/zinc/91/14/72/1028911472.db2.gz WFOPEBXKCALJOZ-UHFFFAOYSA-N 1 3 337.423 3.514 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248461603 1028915207 /nfs/dbraw/zinc/91/52/07/1028915207.db2.gz XPYFMKODGGIAFY-IERDGZPVSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248461603 1028915227 /nfs/dbraw/zinc/91/52/27/1028915227.db2.gz XPYFMKODGGIAFY-IERDGZPVSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000249125274 1028990842 /nfs/dbraw/zinc/99/08/42/1028990842.db2.gz UBUGZQXTSMDJLF-GFOJFJKKSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000249125274 1028990854 /nfs/dbraw/zinc/99/08/54/1028990854.db2.gz UBUGZQXTSMDJLF-GFOJFJKKSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@H]1CC2(CN1Cc1ccc(F)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368516 1029032434 /nfs/dbraw/zinc/03/24/34/1029032434.db2.gz AFJPEPIXZUCASS-LBPRGKRZSA-N 1 3 330.369 3.809 20 0 EHADHO CC[C@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936727 1029090338 /nfs/dbraw/zinc/09/03/38/1029090338.db2.gz KILFXNOPNAAYNC-XJKSGUPXSA-N 1 3 330.394 3.534 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271803113 1029178651 /nfs/dbraw/zinc/17/86/51/1029178651.db2.gz SHARGJPGSJOTHE-KXBFYZLASA-N 1 3 329.488 3.560 20 0 EHADHO C[C@H](NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000124641267 1029289591 /nfs/dbraw/zinc/28/95/91/1029289591.db2.gz ZEEPSAGHXMAWPY-ULQDDVLXSA-N 1 3 328.456 3.740 20 0 EHADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000124641267 1029289607 /nfs/dbraw/zinc/28/96/07/1029289607.db2.gz ZEEPSAGHXMAWPY-ULQDDVLXSA-N 1 3 328.456 3.740 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000193159600 1029546093 /nfs/dbraw/zinc/54/60/93/1029546093.db2.gz IZJGUQXFGXWEHL-QGZVFWFLSA-N 1 3 335.289 3.653 20 0 EHADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716227 1029797597 /nfs/dbraw/zinc/79/75/97/1029797597.db2.gz KJUGZDBCOUBZET-SFHLNBCPSA-N 1 3 338.495 3.954 20 0 EHADHO CN(Cc1ccc2[nH]cnc2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628421 1029939769 /nfs/dbraw/zinc/93/97/69/1029939769.db2.gz GWXPOIARVXRDCN-LJQANCHMSA-N 1 3 334.467 3.517 20 0 EHADHO CN(Cc1ccc2[nH]cnc2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628421 1029939784 /nfs/dbraw/zinc/93/97/84/1029939784.db2.gz GWXPOIARVXRDCN-LJQANCHMSA-N 1 3 334.467 3.517 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000120368039 1029972337 /nfs/dbraw/zinc/97/23/37/1029972337.db2.gz KDDNPIODPQZJCB-GOSISDBHSA-N 1 3 327.472 3.690 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000120368039 1029972355 /nfs/dbraw/zinc/97/23/55/1029972355.db2.gz KDDNPIODPQZJCB-GOSISDBHSA-N 1 3 327.472 3.690 20 0 EHADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525625914 1029995993 /nfs/dbraw/zinc/99/59/93/1029995993.db2.gz SEHWRPWIKRTACY-XVAXZDLZSA-N 1 3 349.607 3.941 20 0 EHADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525625914 1029996005 /nfs/dbraw/zinc/99/60/05/1029996005.db2.gz SEHWRPWIKRTACY-XVAXZDLZSA-N 1 3 349.607 3.941 20 0 EHADHO COc1ccc(-c2ccncc2)cc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712149 1030068052 /nfs/dbraw/zinc/06/80/52/1030068052.db2.gz SJUHPCCLYCDJBT-OXQOHEQNSA-N 1 3 339.483 3.707 20 0 EHADHO COCC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335023 1030115672 /nfs/dbraw/zinc/11/56/72/1030115672.db2.gz FFPAWBBZBOERLN-COXVUDFISA-N 1 3 344.421 3.855 20 0 EHADHO COCC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335023 1030115676 /nfs/dbraw/zinc/11/56/76/1030115676.db2.gz FFPAWBBZBOERLN-COXVUDFISA-N 1 3 344.421 3.855 20 0 EHADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937308 1030197360 /nfs/dbraw/zinc/19/73/60/1030197360.db2.gz KXTMFXSQPMWZGJ-LPHOPBHVSA-N 1 3 339.483 3.669 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(Br)cc1 ZINC000531995236 1030248034 /nfs/dbraw/zinc/24/80/34/1030248034.db2.gz JCBPPEWSUJUFJA-APHBMKBZSA-N 1 3 325.294 3.973 20 0 EHADHO COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000482236634 1030278412 /nfs/dbraw/zinc/27/84/12/1030278412.db2.gz AWVXBAXDQPDSAA-UHFFFAOYSA-N 1 3 334.479 3.764 20 0 EHADHO CN(Cc1cc(Cl)ccc1OCC1CC1)CC1CC[NH+](C)CC1 ZINC000482686010 1030638272 /nfs/dbraw/zinc/63/82/72/1030638272.db2.gz ZRJABRVOYQQLPU-UHFFFAOYSA-N 1 3 336.907 3.902 20 0 EHADHO C[C@@H]1C[C@@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094148 1030984381 /nfs/dbraw/zinc/98/43/81/1030984381.db2.gz SCAIERHJYPMIHY-KGLIPLIRSA-N 1 3 342.405 3.523 20 0 EHADHO c1ccc(CN2CCC([NH2+]C[C@@H]3CCN3C3CCCCC3)CC2)cc1 ZINC000527751076 1031205606 /nfs/dbraw/zinc/20/56/06/1031205606.db2.gz GOQVRBMVUJCQQV-QFIPXVFZSA-N 1 3 341.543 3.648 20 0 EHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(F)cc2)CC1 ZINC000151289424 1031315931 /nfs/dbraw/zinc/31/59/31/1031315931.db2.gz ILPGGPBRCGVHKJ-UHFFFAOYSA-N 1 3 341.474 3.648 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995543 1031443762 /nfs/dbraw/zinc/44/37/62/1031443762.db2.gz QVXDDFCZNDHISY-VQIMIIECSA-N 1 3 343.515 3.791 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(Br)c1 ZINC000666996790 1031449465 /nfs/dbraw/zinc/44/94/65/1031449465.db2.gz FYJZWZJHBXHTLB-CJNGLKHVSA-N 1 3 337.305 3.817 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960665 1031525359 /nfs/dbraw/zinc/52/53/59/1031525359.db2.gz CWLWKHDRRIIUJG-UWJYYQICSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960665 1031525367 /nfs/dbraw/zinc/52/53/67/1031525367.db2.gz CWLWKHDRRIIUJG-UWJYYQICSA-N 1 3 348.494 3.574 20 0 EHADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CCCO2 ZINC000178037748 1031611528 /nfs/dbraw/zinc/61/15/28/1031611528.db2.gz OJNGEZRJLLLKMJ-GGPKGHCWSA-N 1 3 346.515 3.688 20 0 EHADHO CC(C)(C)CC[C@H]([NH3+])CNCCCc1nc(-c2ccncc2)cs1 ZINC000904364613 1031999810 /nfs/dbraw/zinc/99/98/10/1031999810.db2.gz NIRVALXQVAEPQL-INIZCTEOSA-N 1 3 346.544 3.881 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC ZINC000181416876 1032023248 /nfs/dbraw/zinc/02/32/48/1032023248.db2.gz MSDSFSNGUXRXRC-ZCNNSNEGSA-N 1 3 346.515 3.504 20 0 EHADHO COc1cc2c(c(CN3CCC(C[N@H+](C)C(C)C)CC3)c1)O[C@H](C)C2 ZINC000536652565 1032034718 /nfs/dbraw/zinc/03/47/18/1032034718.db2.gz XSUQIQVGQXEJFP-MRXNPFEDSA-N 1 3 346.515 3.571 20 0 EHADHO COc1cc2c(c(CN3CCC(C[N@@H+](C)C(C)C)CC3)c1)O[C@H](C)C2 ZINC000536652565 1032034731 /nfs/dbraw/zinc/03/47/31/1032034731.db2.gz XSUQIQVGQXEJFP-MRXNPFEDSA-N 1 3 346.515 3.571 20 0 EHADHO CN1CCN(CC[NH2+]CC2CCC(c3ccccc3)CC2)CC1(C)C ZINC000685431142 1033320044 /nfs/dbraw/zinc/32/00/44/1033320044.db2.gz CDWYKTFYDIZECF-UHFFFAOYSA-N 1 3 343.559 3.576 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccc(N(C)C)nc2)CC1)CC(C)C ZINC000685462631 1033357073 /nfs/dbraw/zinc/35/70/73/1033357073.db2.gz LBMQCMWUCIAZME-UHFFFAOYSA-N 1 3 346.563 3.728 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccc(N(C)C)nc2)CC1)CC(C)C ZINC000685462631 1033357087 /nfs/dbraw/zinc/35/70/87/1033357087.db2.gz LBMQCMWUCIAZME-UHFFFAOYSA-N 1 3 346.563 3.728 20 0 EHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC(C)C)CC1)CCC2 ZINC000594491098 1033394601 /nfs/dbraw/zinc/39/46/01/1033394601.db2.gz VWWCPRNQKXTMDU-FQEVSTJZSA-N 1 3 344.499 3.561 20 0 EHADHO C[N@@H+]1CCC[C@@H](CNCc2n[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000608059988 1033453113 /nfs/dbraw/zinc/45/31/13/1033453113.db2.gz UHTLKYYYMXFJTF-LIRRHRJNSA-N 1 3 340.496 3.797 20 0 EHADHO C[N@H+]1CCC[C@@H](CNCc2n[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000608059988 1033453121 /nfs/dbraw/zinc/45/31/21/1033453121.db2.gz UHTLKYYYMXFJTF-LIRRHRJNSA-N 1 3 340.496 3.797 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414055 1033565223 /nfs/dbraw/zinc/56/52/23/1033565223.db2.gz BYMISBOARUQTLT-HRAATJIYSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414055 1033565241 /nfs/dbraw/zinc/56/52/41/1033565241.db2.gz BYMISBOARUQTLT-HRAATJIYSA-N 1 3 326.459 3.780 20 0 EHADHO CCC[NH+]1CCC(Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000131733694 1033659704 /nfs/dbraw/zinc/65/97/04/1033659704.db2.gz JKGZAJPPVOORPK-UHFFFAOYSA-N 1 3 333.545 3.522 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@H](C3CC3)C3CCCC3)CC2)ccn1 ZINC000658161857 1034023576 /nfs/dbraw/zinc/02/35/76/1034023576.db2.gz AYEUHOYSVYFMOA-NRFANRHFSA-N 1 3 327.516 3.852 20 0 EHADHO COC1([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000658164351 1034029840 /nfs/dbraw/zinc/02/98/40/1034029840.db2.gz NLXTVTYSXVSWTF-GOSISDBHSA-N 1 3 345.531 3.621 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCC(F)(F)CC2)CC1 ZINC000658323733 1034198755 /nfs/dbraw/zinc/19/87/55/1034198755.db2.gz UMQVGBCTARFJFK-NVXWUHKLSA-N 1 3 344.490 3.560 20 0 EHADHO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N1CCCCC1 ZINC000456273683 1034272172 /nfs/dbraw/zinc/27/21/72/1034272172.db2.gz MFJSZDWGPUVHLY-UXHICEINSA-N 1 3 343.515 3.685 20 0 EHADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186171263 1035594790 /nfs/dbraw/zinc/59/47/90/1035594790.db2.gz WFOXQLSWTZGLNL-NQIIRXRSSA-N 1 3 342.527 3.771 20 0 EHADHO C[C@H]1C[C@H]([NH3+])CCN1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696892 1035595625 /nfs/dbraw/zinc/59/56/25/1035595625.db2.gz YQDHBNXIVCBBGX-DZGCQCFKSA-N 1 3 330.394 3.676 20 0 EHADHO C[C@@H]([NH2+]CCOc1ccccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492372018 1035718804 /nfs/dbraw/zinc/71/88/04/1035718804.db2.gz FKFZKJCHICWUBT-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492372018 1035718817 /nfs/dbraw/zinc/71/88/17/1035718817.db2.gz FKFZKJCHICWUBT-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372018 1035718832 /nfs/dbraw/zinc/71/88/32/1035718832.db2.gz FKFZKJCHICWUBT-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1F ZINC000668817847 1035862099 /nfs/dbraw/zinc/86/20/99/1035862099.db2.gz AWBAVPKUYWCROT-APWZRJJASA-N 1 3 348.506 3.725 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Br ZINC000414171280 1035874009 /nfs/dbraw/zinc/87/40/09/1035874009.db2.gz DBXMHRUHRNVYLF-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171280 1035874018 /nfs/dbraw/zinc/87/40/18/1035874018.db2.gz DBXMHRUHRNVYLF-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723345 1036265251 /nfs/dbraw/zinc/26/52/51/1036265251.db2.gz UBUGZQXTSMDJLF-FYZZASKESA-N 1 3 328.500 3.540 20 0 EHADHO C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723345 1036265267 /nfs/dbraw/zinc/26/52/67/1036265267.db2.gz UBUGZQXTSMDJLF-FYZZASKESA-N 1 3 328.500 3.540 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CC1(F)F ZINC000666229569 1036522171 /nfs/dbraw/zinc/52/21/71/1036522171.db2.gz RLULLAXBQKLBHS-AIHBUXEESA-N 1 3 334.454 3.920 20 0 EHADHO Fc1ccccc1CC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168392663 1036561795 /nfs/dbraw/zinc/56/17/95/1036561795.db2.gz RUINPKGTUMMRLX-UHFFFAOYSA-N 1 3 330.491 3.955 20 0 EHADHO C[C@@H](NCc1cc(F)cc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177718638 1036920523 /nfs/dbraw/zinc/92/05/23/1036920523.db2.gz KMXNHUJXRXQFEB-CQSZACIVSA-N 1 3 334.410 3.756 20 0 EHADHO OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000347420878 1037016393 /nfs/dbraw/zinc/01/63/93/1037016393.db2.gz URGCRQHYNBNVLN-KBRMVUAJSA-N 1 3 336.479 3.505 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000105461444 1037188806 /nfs/dbraw/zinc/18/88/06/1037188806.db2.gz CJULCCPGNICFQX-QGZVFWFLSA-N 1 3 340.467 3.718 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000105461440 1037189629 /nfs/dbraw/zinc/18/96/29/1037189629.db2.gz CJULCCPGNICFQX-KRWDZBQOSA-N 1 3 340.467 3.718 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461385 1037349093 /nfs/dbraw/zinc/34/90/93/1037349093.db2.gz MTQNVQQRCQVSBN-XNFNUYLZSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461385 1037349113 /nfs/dbraw/zinc/34/91/13/1037349113.db2.gz MTQNVQQRCQVSBN-XNFNUYLZSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461385 1037349135 /nfs/dbraw/zinc/34/91/35/1037349135.db2.gz MTQNVQQRCQVSBN-XNFNUYLZSA-N 1 3 349.950 3.795 20 0 EHADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000311118925 1037409949 /nfs/dbraw/zinc/40/99/49/1037409949.db2.gz GQRZDMQGWVFREB-IFMALSPDSA-N 1 3 338.495 3.612 20 0 EHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000532504332 1037530071 /nfs/dbraw/zinc/53/00/71/1037530071.db2.gz FOBMPWQPUQSITA-HNAYVOBHSA-N 1 3 334.504 3.865 20 0 EHADHO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccs1 ZINC000124680943 1038221845 /nfs/dbraw/zinc/22/18/45/1038221845.db2.gz PPHBMEPDQQNVFB-QGZVFWFLSA-N 1 3 335.561 3.739 20 0 EHADHO Cn1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000125202048 1038293000 /nfs/dbraw/zinc/29/30/00/1038293000.db2.gz MEJJELNWBLVBIK-UHFFFAOYSA-N 1 3 331.891 3.680 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCOCC2)ccc1OC ZINC000183348043 1038700560 /nfs/dbraw/zinc/70/05/60/1038700560.db2.gz NSNGFBVZKHKKBW-VQIMIIECSA-N 1 3 334.504 3.757 20 0 EHADHO CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000539215775 1038734854 /nfs/dbraw/zinc/73/48/54/1038734854.db2.gz RTZAIZXEDNBTEM-DLBZAZTESA-N 1 3 341.499 3.996 20 0 EHADHO CN(C)CC[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccnc1 ZINC000905553296 1038961912 /nfs/dbraw/zinc/96/19/12/1038961912.db2.gz VDFVQSOHLUSIRR-VXKWHMMOSA-N 1 3 349.478 3.551 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552283900 1039136740 /nfs/dbraw/zinc/13/67/40/1039136740.db2.gz MCYNKCAPQAEIFL-MBDNFAEBSA-N 1 3 342.527 3.693 20 0 EHADHO COCc1csc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000667620931 1039174875 /nfs/dbraw/zinc/17/48/75/1039174875.db2.gz VBGLFFFYKRSCLW-GOSISDBHSA-N 1 3 344.524 3.848 20 0 EHADHO COCc1csc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000667620931 1039174891 /nfs/dbraw/zinc/17/48/91/1039174891.db2.gz VBGLFFFYKRSCLW-GOSISDBHSA-N 1 3 344.524 3.848 20 0 EHADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488433317 1039177271 /nfs/dbraw/zinc/17/72/71/1039177271.db2.gz HXDGICFFVLEFDA-AABGKKOBSA-N 1 3 332.557 3.671 20 0 EHADHO CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565608 1039704772 /nfs/dbraw/zinc/70/47/72/1039704772.db2.gz WDXWCYOIWVSPNE-NJDAHSKKSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565608 1039704776 /nfs/dbraw/zinc/70/47/76/1039704776.db2.gz WDXWCYOIWVSPNE-NJDAHSKKSA-N 1 3 342.527 3.931 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCc1ccc(C(C)(C)C)cc1 ZINC000555092580 1040135258 /nfs/dbraw/zinc/13/52/58/1040135258.db2.gz JPJNPNCSSWEMPC-NJYVYQBISA-N 1 3 344.543 3.710 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667843887 1040533261 /nfs/dbraw/zinc/53/32/61/1040533261.db2.gz RCRAEFDKPSGURB-ICSRJNTNSA-N 1 3 348.918 3.709 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000481309009 1040654103 /nfs/dbraw/zinc/65/41/03/1040654103.db2.gz RAANLKOENWHDJA-BZNIZROVSA-N 1 3 341.268 3.507 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000555563447 1040835834 /nfs/dbraw/zinc/83/58/34/1040835834.db2.gz BSXUBYQHGZRUPF-FGZHOGPDSA-N 1 3 342.527 3.812 20 0 EHADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000120575215 1040850953 /nfs/dbraw/zinc/85/09/53/1040850953.db2.gz RYHBEIBSBARFRY-SFHVURJKSA-N 1 3 326.488 3.645 20 0 EHADHO CC[NH+](CC)CC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759842905 1041092587 /nfs/dbraw/zinc/09/25/87/1041092587.db2.gz FCMCZXJXXGNAHO-GOSISDBHSA-N 1 3 342.886 3.566 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147866 1041093401 /nfs/dbraw/zinc/09/34/01/1041093401.db2.gz ONSBHULYXWJWEB-PXNSSMCTSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000571294256 1041259519 /nfs/dbraw/zinc/25/95/19/1041259519.db2.gz ICAFVNHJDSYTJO-GUDVDZBRSA-N 1 3 330.516 3.611 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)C1 ZINC000513031056 1041401024 /nfs/dbraw/zinc/40/10/24/1041401024.db2.gz WFBGKAJVRSNJNH-JUSBFGHESA-N 1 3 334.548 3.823 20 0 EHADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000651699967 1041941359 /nfs/dbraw/zinc/94/13/59/1041941359.db2.gz NUKRMUWCOUVDQI-UXHICEINSA-N 1 3 332.532 3.592 20 0 EHADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786345 1042032623 /nfs/dbraw/zinc/03/26/23/1042032623.db2.gz SZGMTJWFCQMKPN-CJNGLKHVSA-N 1 3 340.870 3.557 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246327448 1042513137 /nfs/dbraw/zinc/51/31/37/1042513137.db2.gz FWWDVOHJDICCOT-ZLGUVYLKSA-N 1 3 346.515 3.504 20 0 EHADHO CC1CC[NH+](Cc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)CC1 ZINC000662675973 1042825550 /nfs/dbraw/zinc/82/55/50/1042825550.db2.gz RWSRSGGPULWVIP-UHFFFAOYSA-N 1 3 341.499 3.519 20 0 EHADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)C1(NC2CC2)CCC1 ZINC000662698914 1042834916 /nfs/dbraw/zinc/83/49/16/1042834916.db2.gz TZCREQAIXNYQNN-UHFFFAOYSA-N 1 3 341.499 3.676 20 0 EHADHO c1ccc([C@H](C[C@H]2CCOC2)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469523 1042899953 /nfs/dbraw/zinc/89/99/53/1042899953.db2.gz QARBGGOVPNLVHC-URVUXULASA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@H]2CCOC2)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469523 1042899958 /nfs/dbraw/zinc/89/99/58/1042899958.db2.gz QARBGGOVPNLVHC-URVUXULASA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663469523 1042899962 /nfs/dbraw/zinc/89/99/62/1042899962.db2.gz QARBGGOVPNLVHC-URVUXULASA-N 1 3 342.527 3.866 20 0 EHADHO CC(C)COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408889 1043106491 /nfs/dbraw/zinc/10/64/91/1043106491.db2.gz WIUODYYPZYWZIM-RBUKOAKNSA-N 1 3 348.531 3.873 20 0 EHADHO CC(C)COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432408889 1043106500 /nfs/dbraw/zinc/10/65/00/1043106500.db2.gz WIUODYYPZYWZIM-RBUKOAKNSA-N 1 3 348.531 3.873 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN(C/C=C/c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000512176678 1043648945 /nfs/dbraw/zinc/64/89/45/1043648945.db2.gz DJYSTOOWZGRXID-GVKUHWBJSA-N 1 3 346.490 3.660 20 0 EHADHO CCn1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000307968371 1125676772 /nfs/dbraw/zinc/67/67/72/1125676772.db2.gz VTPDVWRAMVKBRA-OXQOHEQNSA-N 1 3 340.515 3.520 20 0 EHADHO CCC[NH+]1CCC(NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000620863629 1125784597 /nfs/dbraw/zinc/78/45/97/1125784597.db2.gz QMJYYKKZGKTHDW-HXUWFJFHSA-N 1 3 349.950 3.941 20 0 EHADHO C[N@@H+]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)CC1(C)C ZINC000623342812 1126923077 /nfs/dbraw/zinc/92/30/77/1126923077.db2.gz POMJODAJXYGITH-MRXNPFEDSA-N 1 3 329.513 3.815 20 0 EHADHO C[N@H+]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)CC1(C)C ZINC000623342812 1126923079 /nfs/dbraw/zinc/92/30/79/1126923079.db2.gz POMJODAJXYGITH-MRXNPFEDSA-N 1 3 329.513 3.815 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1(C)C ZINC000623470625 1126962706 /nfs/dbraw/zinc/96/27/06/1126962706.db2.gz TXSJZHWFUVPOCC-INIZCTEOSA-N 1 3 344.421 3.728 20 0 EHADHO Cc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)ccc1Br ZINC000623546908 1126978609 /nfs/dbraw/zinc/97/86/09/1126978609.db2.gz ZMTWSLILMWKLDW-AWEZNQCLSA-N 1 3 325.294 3.720 20 0 EHADHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(C)sc1C ZINC000623862163 1127200940 /nfs/dbraw/zinc/20/09/40/1127200940.db2.gz NVYPEUYJKBKYFE-IBGZPJMESA-N 1 3 337.577 3.823 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123538 1127256656 /nfs/dbraw/zinc/25/66/56/1127256656.db2.gz NTPZFLAYBCJYQJ-HUUCEWRRSA-N 1 3 328.422 3.958 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624124219 1127257468 /nfs/dbraw/zinc/25/74/68/1127257468.db2.gz ZYUGVVNMAAHMAR-ZBFHGGJFSA-N 1 3 339.321 3.702 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120753 1127255360 /nfs/dbraw/zinc/25/53/60/1127255360.db2.gz GHVUKKNWNWQQSH-GOEBONIOSA-N 1 3 328.422 3.958 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000180978221 1127262459 /nfs/dbraw/zinc/26/24/59/1127262459.db2.gz UCGGTQGAOIZSMW-ZFWWWQNUSA-N 1 3 330.394 3.763 20 0 EHADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c2ccccc21 ZINC000765066369 1127571650 /nfs/dbraw/zinc/57/16/50/1127571650.db2.gz FSUJNCGVODLRPT-CABCVRRESA-N 1 3 332.875 3.601 20 0 EHADHO c1cc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000921619780 1127851540 /nfs/dbraw/zinc/85/15/40/1127851540.db2.gz PDXWQPMGZZHWQM-LJQANCHMSA-N 1 3 338.499 3.610 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000061070197 1128119141 /nfs/dbraw/zinc/11/91/41/1128119141.db2.gz KXZFYSBSZBLQPA-UHFFFAOYSA-N 1 3 329.532 3.637 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671746642 1128186442 /nfs/dbraw/zinc/18/64/42/1128186442.db2.gz ORJMVPNJGNFVTG-CQSZACIVSA-N 1 3 339.439 3.836 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671746642 1128186443 /nfs/dbraw/zinc/18/64/43/1128186443.db2.gz ORJMVPNJGNFVTG-CQSZACIVSA-N 1 3 339.439 3.836 20 0 EHADHO C[C@H](NCc1cc(F)c(F)cc1Br)C1CC[NH+](C)CC1 ZINC000671769479 1128267891 /nfs/dbraw/zinc/26/78/91/1128267891.db2.gz YBNITJJHEXXZFW-JTQLQIEISA-N 1 3 347.247 3.547 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428840022 1128705557 /nfs/dbraw/zinc/70/55/57/1128705557.db2.gz NFMHVHYRZHDWJG-HXUWFJFHSA-N 1 3 331.548 3.874 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428840022 1128705561 /nfs/dbraw/zinc/70/55/61/1128705561.db2.gz NFMHVHYRZHDWJG-HXUWFJFHSA-N 1 3 331.548 3.874 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000062253021 1128811322 /nfs/dbraw/zinc/81/13/22/1128811322.db2.gz COOXIYNFJKSASS-KBPBESRZSA-N 1 3 345.314 3.972 20 0 EHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccnn1-c1ccccc1 ZINC000467358336 1120551901 /nfs/dbraw/zinc/55/19/01/1120551901.db2.gz JHXLISINBJABHC-KRWDZBQOSA-N 1 3 326.488 3.645 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCCS4)[C@@H]3C2)cc1 ZINC000542484393 1120572529 /nfs/dbraw/zinc/57/25/29/1120572529.db2.gz YPFSXSRWMNUEEG-NMLBUPMWSA-N 1 3 330.541 3.772 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCCS4)[C@@H]3C2)cc1 ZINC000542484391 1120572554 /nfs/dbraw/zinc/57/25/54/1120572554.db2.gz YPFSXSRWMNUEEG-HAGHYFMRSA-N 1 3 330.541 3.772 20 0 EHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116322 1120664855 /nfs/dbraw/zinc/66/48/55/1120664855.db2.gz MHAPPKNREAZMQB-RCBQFDQVSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116322 1120664857 /nfs/dbraw/zinc/66/48/57/1120664857.db2.gz MHAPPKNREAZMQB-RCBQFDQVSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](CN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000494879905 1120891265 /nfs/dbraw/zinc/89/12/65/1120891265.db2.gz BSOHSIJHUYCCTA-PWIZWCRZSA-N 1 3 334.479 3.757 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)ccc1OC ZINC000762647911 1121396715 /nfs/dbraw/zinc/39/67/15/1121396715.db2.gz GRGAVZWJMURPRQ-GJYPPUQNSA-N 1 3 334.504 3.613 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623374 1129028245 /nfs/dbraw/zinc/02/82/45/1129028245.db2.gz SLDVHHHKULVNSS-FKBYEOEOSA-N 1 3 343.559 3.704 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623374 1129028248 /nfs/dbraw/zinc/02/82/48/1129028248.db2.gz SLDVHHHKULVNSS-FKBYEOEOSA-N 1 3 343.559 3.704 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125183287 1122307974 /nfs/dbraw/zinc/30/79/74/1122307974.db2.gz DADBBDSIEWBAKB-XLIONFOSSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125183287 1122307979 /nfs/dbraw/zinc/30/79/79/1122307979.db2.gz DADBBDSIEWBAKB-XLIONFOSSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN(C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000255368963 1129082698 /nfs/dbraw/zinc/08/26/98/1129082698.db2.gz QFNAYPVGAPUETC-KJQSLDHJSA-N 1 3 328.500 3.521 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN(C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000255368963 1129082701 /nfs/dbraw/zinc/08/27/01/1129082701.db2.gz QFNAYPVGAPUETC-KJQSLDHJSA-N 1 3 328.500 3.521 20 0 EHADHO FC(F)(F)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000556922688 1123210199 /nfs/dbraw/zinc/21/01/99/1123210199.db2.gz FTPLRWWSOBJIDR-IXDOHACOSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000556922688 1123210204 /nfs/dbraw/zinc/21/02/04/1123210204.db2.gz FTPLRWWSOBJIDR-IXDOHACOSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000556922688 1123210208 /nfs/dbraw/zinc/21/02/08/1123210208.db2.gz FTPLRWWSOBJIDR-IXDOHACOSA-N 1 3 338.417 3.829 20 0 EHADHO Cc1cccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134210036 1123501431 /nfs/dbraw/zinc/50/14/31/1123501431.db2.gz KEQXPAMVEGAAFP-UHFFFAOYSA-N 1 3 338.499 3.693 20 0 EHADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247168808 1124592003 /nfs/dbraw/zinc/59/20/03/1124592003.db2.gz YIFJXODWBVCNAP-SQNIBIBYSA-N 1 3 336.495 3.626 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)N1CCC(C)CC1 ZINC000520552088 1124653884 /nfs/dbraw/zinc/65/38/84/1124653884.db2.gz SHMLQMZNHKQJNI-HMXCVIKNSA-N 1 3 329.532 3.532 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NCc1ccc(C[NH+](C)C)cc1)CC2 ZINC000358925435 1129428381 /nfs/dbraw/zinc/42/83/81/1129428381.db2.gz FBYUISNMYSEUNF-LJQANCHMSA-N 1 3 340.467 3.543 20 0 EHADHO CN1CC[C@@]2(CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999191 1129683450 /nfs/dbraw/zinc/68/34/50/1129683450.db2.gz DZDULGMITXKUMM-JOCHJYFZSA-N 1 3 346.478 3.529 20 0 EHADHO CN1CC[C@@]2(CC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000428999191 1129683452 /nfs/dbraw/zinc/68/34/52/1129683452.db2.gz DZDULGMITXKUMM-JOCHJYFZSA-N 1 3 346.478 3.529 20 0 EHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172351242 1130126225 /nfs/dbraw/zinc/12/62/25/1130126225.db2.gz BTUDGAVORZOMIG-ZIAGYGMSSA-N 1 3 330.394 3.920 20 0 EHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172351242 1130126229 /nfs/dbraw/zinc/12/62/29/1130126229.db2.gz BTUDGAVORZOMIG-ZIAGYGMSSA-N 1 3 330.394 3.920 20 0 EHADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccn1 ZINC000658164499 1130221679 /nfs/dbraw/zinc/22/16/79/1130221679.db2.gz DYWTXZVYMCRBRL-HXUWFJFHSA-N 1 3 338.499 3.820 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@H](C)C1 ZINC000675743806 1130469190 /nfs/dbraw/zinc/46/91/90/1130469190.db2.gz VMGAQOJMPFYFSZ-VQIMIIECSA-N 1 3 325.456 3.694 20 0 EHADHO CC[N@H+](C)C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211674 /nfs/dbraw/zinc/21/16/74/1131211674.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 1 3 328.422 3.912 20 0 EHADHO CC[N@@H+](C)C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211680 /nfs/dbraw/zinc/21/16/80/1131211680.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 1 3 328.422 3.912 20 0 EHADHO CCN(C)C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211684 /nfs/dbraw/zinc/21/16/84/1131211684.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 1 3 328.422 3.912 20 0 EHADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000177832690 1131211686 /nfs/dbraw/zinc/21/16/86/1131211686.db2.gz ZRMYLZLHCJLTBO-MRXNPFEDSA-N 1 3 328.422 3.912 20 0 EHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCCN1CCCC1 ZINC001173072139 1131955718 /nfs/dbraw/zinc/95/57/18/1131955718.db2.gz JWSFSVZLTIFSPX-AWEZNQCLSA-N 1 3 330.394 3.592 20 0 EHADHO CN(c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1)c1ccccc1F ZINC001206201257 1132084473 /nfs/dbraw/zinc/08/44/73/1132084473.db2.gz WMPQDENDNWWHBT-HKUYNNGSSA-N 1 3 345.437 3.855 20 0 EHADHO Cc1cnn(CCCCC[N@H+]2CCC[C@@H]2CCN2CCC(C)CC2)c1 ZINC001175351443 1132645499 /nfs/dbraw/zinc/64/54/99/1132645499.db2.gz MCKHEWUXJWFEKJ-OAQYLSRUSA-N 1 3 346.563 3.948 20 0 EHADHO Cc1cnn(CCCCC[N@@H+]2CCC[C@@H]2CCN2CCC(C)CC2)c1 ZINC001175351443 1132645502 /nfs/dbraw/zinc/64/55/02/1132645502.db2.gz MCKHEWUXJWFEKJ-OAQYLSRUSA-N 1 3 346.563 3.948 20 0 EHADHO Cc1cnn(CCCCC[N@H+]2CCC[C@H]2CCN2CCC(C)CC2)c1 ZINC001175351441 1132646208 /nfs/dbraw/zinc/64/62/08/1132646208.db2.gz MCKHEWUXJWFEKJ-NRFANRHFSA-N 1 3 346.563 3.948 20 0 EHADHO Cc1cnn(CCCCC[N@@H+]2CCC[C@H]2CCN2CCC(C)CC2)c1 ZINC001175351441 1132646214 /nfs/dbraw/zinc/64/62/14/1132646214.db2.gz MCKHEWUXJWFEKJ-NRFANRHFSA-N 1 3 346.563 3.948 20 0 EHADHO CCN1CCC([N@@H+]2CCC[C@@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001169258387 1132711345 /nfs/dbraw/zinc/71/13/45/1132711345.db2.gz KGLNJTMUVKJNAQ-QGZVFWFLSA-N 1 3 336.907 3.976 20 0 EHADHO CCN1CCC([N@H+]2CCC[C@@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001169258387 1132711350 /nfs/dbraw/zinc/71/13/50/1132711350.db2.gz KGLNJTMUVKJNAQ-QGZVFWFLSA-N 1 3 336.907 3.976 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCC(C)(C)C3)cc2)CC1 ZINC001177294094 1133046993 /nfs/dbraw/zinc/04/69/93/1133046993.db2.gz DPVFDHLGJUJNKG-NRFANRHFSA-N 1 3 343.559 3.883 20 0 EHADHO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)c(OCCC)c1 ZINC001177794807 1133103289 /nfs/dbraw/zinc/10/32/89/1133103289.db2.gz HTKHRZBCYZVXDV-QGZVFWFLSA-N 1 3 334.504 3.696 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccn3C)C[C@@H]21 ZINC001203260652 1133355124 /nfs/dbraw/zinc/35/51/24/1133355124.db2.gz ZPPXREJJFBQPIK-FFZOFVMBSA-N 1 3 343.540 3.819 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccn3C)C[C@@H]21 ZINC001203260652 1133355129 /nfs/dbraw/zinc/35/51/29/1133355129.db2.gz ZPPXREJJFBQPIK-FFZOFVMBSA-N 1 3 343.540 3.819 20 0 EHADHO C[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001181505425 1133495116 /nfs/dbraw/zinc/49/51/16/1133495116.db2.gz GRIARWNCUKFVIJ-SYYKKAFVSA-N 1 3 344.543 3.628 20 0 EHADHO C[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001181505425 1133495118 /nfs/dbraw/zinc/49/51/18/1133495118.db2.gz GRIARWNCUKFVIJ-SYYKKAFVSA-N 1 3 344.543 3.628 20 0 EHADHO Clc1ccc2c(n1)[C@@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000788801070 1134171297 /nfs/dbraw/zinc/17/12/97/1134171297.db2.gz YCVXCMQRJSULED-AEFFLSMTSA-N 1 3 341.886 3.834 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001170423044 1134829368 /nfs/dbraw/zinc/82/93/68/1134829368.db2.gz AZBZIORERDASPC-GOSISDBHSA-N 1 3 344.499 3.720 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600265 1134894977 /nfs/dbraw/zinc/89/49/77/1134894977.db2.gz DMHAEPOPJUQWII-PBHICJAKSA-N 1 3 339.321 3.654 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600265 1134894983 /nfs/dbraw/zinc/89/49/83/1134894983.db2.gz DMHAEPOPJUQWII-PBHICJAKSA-N 1 3 339.321 3.654 20 0 EHADHO Cc1ccccc1SC[C@H](C)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001192234892 1134988880 /nfs/dbraw/zinc/98/88/80/1134988880.db2.gz VZRVISXKBCRHOU-QGZVFWFLSA-N 1 3 341.524 3.940 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc[nH+]c(N2CCCCC2)c1 ZINC001170680998 1136221587 /nfs/dbraw/zinc/22/15/87/1136221587.db2.gz AZJFBQCUSMDICW-INIZCTEOSA-N 1 3 347.466 3.944 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850414070 1136254159 /nfs/dbraw/zinc/25/41/59/1136254159.db2.gz UKCZAXGVRGJVMY-YDZRNGNQSA-N 1 3 336.907 3.614 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850414070 1136254160 /nfs/dbraw/zinc/25/41/60/1136254160.db2.gz UKCZAXGVRGJVMY-YDZRNGNQSA-N 1 3 336.907 3.614 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2cccc3ccccc32)CC1 ZINC000850517447 1136275861 /nfs/dbraw/zinc/27/58/61/1136275861.db2.gz ULTKTXJJXWZFRD-HXUWFJFHSA-N 1 3 326.484 3.726 20 0 EHADHO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850528701 1136279533 /nfs/dbraw/zinc/27/95/33/1136279533.db2.gz MNFCKVIDGDFTIA-PZKPASOESA-N 1 3 336.479 3.665 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC2SCCS2)CC1 ZINC000850571185 1136289138 /nfs/dbraw/zinc/28/91/38/1136289138.db2.gz RXDWOCSQGZGBJH-GOEBONIOSA-N 1 3 328.591 3.815 20 0 EHADHO C[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2F)cc1)CN(C)C ZINC000813784432 1136361678 /nfs/dbraw/zinc/36/16/78/1136361678.db2.gz CHOICFJEAZTXPK-INIZCTEOSA-N 1 3 330.447 3.692 20 0 EHADHO C[C@@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)[C@@H]1CCC[NH3+] ZINC000852758680 1136483521 /nfs/dbraw/zinc/48/35/21/1136483521.db2.gz DCXPSUNAUUBLGV-OXQOHEQNSA-N 1 3 339.483 3.618 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000815071813 1136546525 /nfs/dbraw/zinc/54/65/25/1136546525.db2.gz WIVKBQZHPZEQIX-CZAAIQMYSA-N 1 3 326.484 3.535 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000815071813 1136546527 /nfs/dbraw/zinc/54/65/27/1136546527.db2.gz WIVKBQZHPZEQIX-CZAAIQMYSA-N 1 3 326.484 3.535 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc2ccccc21 ZINC000854221191 1136598999 /nfs/dbraw/zinc/59/89/99/1136598999.db2.gz IKBHGTIURDFXSR-GXRSIYKFSA-N 1 3 338.495 3.774 20 0 EHADHO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)(C)O ZINC000815652065 1136626873 /nfs/dbraw/zinc/62/68/73/1136626873.db2.gz NTBOQGIOIDNCMJ-JXFKEZNVSA-N 1 3 348.531 3.881 20 0 EHADHO [NH3+][C@H]1C[C@H](NCCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000817889990 1136843246 /nfs/dbraw/zinc/84/32/46/1136843246.db2.gz RMTBDHNNALADQI-VXKWHMMOSA-N 1 3 335.495 3.954 20 0 EHADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000817949929 1136850229 /nfs/dbraw/zinc/85/02/29/1136850229.db2.gz UKXPSSXUOXPBLY-SFHVURJKSA-N 1 3 330.859 3.845 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000818964532 1136892033 /nfs/dbraw/zinc/89/20/33/1136892033.db2.gz YZXAABKOSZCSEL-IBGZPJMESA-N 1 3 348.437 3.630 20 0 EHADHO C[NH+](C)CC[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000819081290 1136906680 /nfs/dbraw/zinc/90/66/80/1136906680.db2.gz LDVPJIGLGOLNLX-CVEARBPZSA-N 1 3 346.437 3.695 20 0 EHADHO C[NH+]1CCC2(CN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)CC1 ZINC001171089415 1137177973 /nfs/dbraw/zinc/17/79/73/1137177973.db2.gz ZXMPFAUZGSVJGC-HNNXBMFYSA-N 1 3 339.310 3.878 20 0 EHADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000339069676 1137234169 /nfs/dbraw/zinc/23/41/69/1137234169.db2.gz KKRIEPRIQCCWLW-UEXGIBASSA-N 1 3 330.516 3.851 20 0 EHADHO Fc1cnccc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718058 1137306396 /nfs/dbraw/zinc/30/63/96/1137306396.db2.gz TWULACOQHWZCKT-UHFFFAOYSA-N 1 3 327.447 3.613 20 0 EHADHO CC[N@H+](CCC1CCN(CC2(Br)CC2)CC1)CC1CC1 ZINC000846842109 1137371332 /nfs/dbraw/zinc/37/13/32/1137371332.db2.gz RBPIJUKUPORYQE-UHFFFAOYSA-N 1 3 343.353 3.748 20 0 EHADHO CC[N@@H+](CCC1CCN(CC2(Br)CC2)CC1)CC1CC1 ZINC000846842109 1137371334 /nfs/dbraw/zinc/37/13/34/1137371334.db2.gz RBPIJUKUPORYQE-UHFFFAOYSA-N 1 3 343.353 3.748 20 0 EHADHO Fc1cc(F)c2c(c1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001171349285 1137455972 /nfs/dbraw/zinc/45/59/72/1137455972.db2.gz HSCCBSRBULHCKW-QGZVFWFLSA-N 1 3 334.454 3.819 20 0 EHADHO CC1CCN(CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171507166 1137494940 /nfs/dbraw/zinc/49/49/40/1137494940.db2.gz KQAIIQRZUPZTEQ-OAHLLOKOSA-N 1 3 340.433 3.673 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCN(CCc3cccs3)CC2)CC1(C)C ZINC001171637837 1137504359 /nfs/dbraw/zinc/50/43/59/1137504359.db2.gz PCKPSVKYKJQQDD-UHFFFAOYSA-N 1 3 349.588 3.560 20 0 EHADHO Cc1cccc(OC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)n1 ZINC001171641076 1137504900 /nfs/dbraw/zinc/50/49/00/1137504900.db2.gz MQYPJGIJYBUCAA-UHFFFAOYSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccc(OC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171641076 1137504901 /nfs/dbraw/zinc/50/49/01/1137504901.db2.gz MQYPJGIJYBUCAA-UHFFFAOYSA-N 1 3 345.531 3.885 20 0 EHADHO C[C@@H](CN1CCCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962183 1137519680 /nfs/dbraw/zinc/51/96/80/1137519680.db2.gz BUHZPGLDYBMPIC-AZUAARDMSA-N 1 3 329.532 3.504 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112965 1137537499 /nfs/dbraw/zinc/53/74/99/1137537499.db2.gz HEHLHXKRDUXSJP-HIUFNZKISA-N 1 3 335.495 3.908 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112965 1137537501 /nfs/dbraw/zinc/53/75/01/1137537501.db2.gz HEHLHXKRDUXSJP-HIUFNZKISA-N 1 3 335.495 3.908 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(OCC4CC4)C3)CC1)C2 ZINC001172123331 1137538935 /nfs/dbraw/zinc/53/89/35/1137538935.db2.gz ZWZWGRQCPHIAIB-REPLKXPHSA-N 1 3 332.532 3.673 20 0 EHADHO CCOc1ccc([C@@H]2CCCN2C2CC[NH+](CCCOC)CC2)cc1 ZINC001172255700 1137544952 /nfs/dbraw/zinc/54/49/52/1137544952.db2.gz KWFMLWPJMXUNDM-NRFANRHFSA-N 1 3 346.515 3.723 20 0 EHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172333651 1137551381 /nfs/dbraw/zinc/55/13/81/1137551381.db2.gz KFJQDWAJHIZFMF-SJORKVTESA-N 1 3 336.495 3.755 20 0 EHADHO Cc1cccc(NC2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC000873206100 1137594018 /nfs/dbraw/zinc/59/40/18/1137594018.db2.gz VTRAYSUHXDMCFG-UHFFFAOYSA-N 1 3 341.524 3.779 20 0 EHADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(-c2ccccc2)o1 ZINC000873291327 1137596629 /nfs/dbraw/zinc/59/66/29/1137596629.db2.gz JTWDZLJMUIPJOZ-AEFFLSMTSA-N 1 3 340.467 3.756 20 0 EHADHO COCc1cc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1OC ZINC000125956591 1137652134 /nfs/dbraw/zinc/65/21/34/1137652134.db2.gz CBPCNYNQUGOGKM-KXBFYZLASA-N 1 3 336.520 3.859 20 0 EHADHO Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000877487327 1137678018 /nfs/dbraw/zinc/67/80/18/1137678018.db2.gz SSTQWTPSAMVCPK-MRXNPFEDSA-N 1 3 329.875 3.534 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3cc4c(ccnc4Cl)o3)C2)CC1 ZINC000877528758 1137679746 /nfs/dbraw/zinc/67/97/46/1137679746.db2.gz JTLQIFAJGBIEKO-AWEZNQCLSA-N 1 3 333.863 3.645 20 0 EHADHO Cc1csc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c1 ZINC001137156280 1137780384 /nfs/dbraw/zinc/78/03/84/1137780384.db2.gz ZTWRPUQPWGOLCK-UHFFFAOYSA-N 1 3 341.524 3.940 20 0 EHADHO Oc1ccccc1CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886521258 1138089468 /nfs/dbraw/zinc/08/94/68/1138089468.db2.gz XLYSOKAOQYLRBJ-TYPHKJRUSA-N 1 3 336.479 3.577 20 0 EHADHO Oc1ccccc1CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886521258 1138089471 /nfs/dbraw/zinc/08/94/71/1138089471.db2.gz XLYSOKAOQYLRBJ-TYPHKJRUSA-N 1 3 336.479 3.577 20 0 EHADHO Oc1ccccc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886521258 1138089473 /nfs/dbraw/zinc/08/94/73/1138089473.db2.gz XLYSOKAOQYLRBJ-TYPHKJRUSA-N 1 3 336.479 3.577 20 0 EHADHO CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534133 1138091554 /nfs/dbraw/zinc/09/15/54/1138091554.db2.gz BJFDGBGYJFBYAY-KJJMTIBFSA-N 1 3 344.543 3.674 20 0 EHADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886542942 1138094095 /nfs/dbraw/zinc/09/40/95/1138094095.db2.gz IHFFVGMBESPXTJ-MNVIUDHYSA-N 1 3 342.527 3.833 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886587898 1138099931 /nfs/dbraw/zinc/09/99/31/1138099931.db2.gz IALSKOJWVRFCGC-BJKUESEOSA-N 1 3 342.527 3.834 20 0 EHADHO Clc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000089551954 1138201378 /nfs/dbraw/zinc/20/13/78/1138201378.db2.gz DJUDZVQCDSBOJK-DLBZAZTESA-N 1 3 348.918 3.605 20 0 EHADHO Clc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000089551954 1138201379 /nfs/dbraw/zinc/20/13/79/1138201379.db2.gz DJUDZVQCDSBOJK-DLBZAZTESA-N 1 3 348.918 3.605 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(n2ccnc2)CC1 ZINC000092648756 1138230278 /nfs/dbraw/zinc/23/02/78/1138230278.db2.gz RXZZSRAVGPISGN-UHFFFAOYSA-N 1 3 340.515 3.678 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(n2ccnc2)CC1 ZINC000092648756 1138230280 /nfs/dbraw/zinc/23/02/80/1138230280.db2.gz RXZZSRAVGPISGN-UHFFFAOYSA-N 1 3 340.515 3.678 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000092739558 1138231406 /nfs/dbraw/zinc/23/14/06/1138231406.db2.gz VMDDOLYMLQXVAJ-KRWDZBQOSA-N 1 3 327.472 3.653 20 0 EHADHO CCc1nc2c(s1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCC2 ZINC000123658430 1138272974 /nfs/dbraw/zinc/27/29/74/1138272974.db2.gz JDMSOYNXCBEKTI-INIZCTEOSA-N 1 3 329.513 3.934 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000124001376 1138277392 /nfs/dbraw/zinc/27/73/92/1138277392.db2.gz NMXSYNPZHAFWAR-HNNXBMFYSA-N 1 3 326.440 3.718 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000124001376 1138277395 /nfs/dbraw/zinc/27/73/95/1138277395.db2.gz NMXSYNPZHAFWAR-HNNXBMFYSA-N 1 3 326.440 3.718 20 0 EHADHO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126695452 1138336152 /nfs/dbraw/zinc/33/61/52/1138336152.db2.gz CZCLQBASZRYKFP-KRWDZBQOSA-N 1 3 343.540 3.655 20 0 EHADHO Cc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc(C)c1O ZINC000263834019 1138377093 /nfs/dbraw/zinc/37/70/93/1138377093.db2.gz AKFKZYPKHMLAMC-UHFFFAOYSA-N 1 3 342.483 3.629 20 0 EHADHO CCOc1cc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)ccc1OC(F)F ZINC000174628341 1139431587 /nfs/dbraw/zinc/43/15/87/1139431587.db2.gz PCZRXNUUQCXVQT-HIFRSBDPSA-N 1 3 342.430 3.507 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715675 1140165597 /nfs/dbraw/zinc/16/55/97/1140165597.db2.gz QEGMBZVHYNFPFI-ROUUACIJSA-N 1 3 343.515 3.566 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715675 1140165600 /nfs/dbraw/zinc/16/56/00/1140165600.db2.gz QEGMBZVHYNFPFI-ROUUACIJSA-N 1 3 343.515 3.566 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268774524 1140989652 /nfs/dbraw/zinc/98/96/52/1140989652.db2.gz GISHMDZYDCBAHI-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268774524 1140989656 /nfs/dbraw/zinc/98/96/56/1140989656.db2.gz GISHMDZYDCBAHI-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cc(C)c([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C ZINC000271528938 1141388794 /nfs/dbraw/zinc/38/87/94/1141388794.db2.gz QPTFKXAOEPMIOV-IOMROCGXSA-N 1 3 330.516 3.640 20 0 EHADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn2ccccc2n1 ZINC000550886578 370699903 /nfs/dbraw/zinc/69/99/03/370699903.db2.gz IBZRVLSGJJRDBS-KURKYZTESA-N 1 3 328.504 3.743 20 0 EHADHO Brc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000042521675 518210253 /nfs/dbraw/zinc/21/02/53/518210253.db2.gz KTCFKMZJCJSSGS-UHFFFAOYSA-N 1 3 346.272 3.603 20 0 EHADHO c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(CN2CCCC2)c1 ZINC001165048755 721978479 /nfs/dbraw/zinc/97/84/79/721978479.db2.gz GNJVOASYOFXVQR-HXUWFJFHSA-N 1 3 342.531 3.522 20 0 EHADHO C[N@@H+](Cc1cc2cccnc2o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449028076 1032061482 /nfs/dbraw/zinc/06/14/82/1032061482.db2.gz NQYHUUWMVBMCAT-SFHVURJKSA-N 1 3 335.451 3.782 20 0 EHADHO C[N@H+](Cc1cc2cccnc2o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449028076 1032061500 /nfs/dbraw/zinc/06/15/00/1032061500.db2.gz NQYHUUWMVBMCAT-SFHVURJKSA-N 1 3 335.451 3.782 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc(C2CC2)c1 ZINC000904472154 1032068879 /nfs/dbraw/zinc/06/88/79/1032068879.db2.gz LXJMSTIZOXEGKR-RBBKRZOGSA-N 1 3 334.463 3.910 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000154247132 1015296413 /nfs/dbraw/zinc/29/64/13/1015296413.db2.gz BEGIEQNTZNCRBA-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)ccc1OC ZINC000182975571 1032154630 /nfs/dbraw/zinc/15/46/30/1032154630.db2.gz NFDNXDBBWYYCHA-ZESCBINXSA-N 1 3 332.488 3.508 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2csc3ccccc23)CC1 ZINC000924657544 1032228009 /nfs/dbraw/zinc/22/80/09/1032228009.db2.gz HEUTTXDRELAIQU-MRXNPFEDSA-N 1 3 331.529 3.580 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccnc3c(Br)cccc23)CC[N@@H+]1C ZINC000449175137 1032269838 /nfs/dbraw/zinc/26/98/38/1032269838.db2.gz QJMVUOXFDOJVMF-JSGCOSHPSA-N 1 3 348.288 3.570 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175137 1032269846 /nfs/dbraw/zinc/26/98/46/1032269846.db2.gz QJMVUOXFDOJVMF-JSGCOSHPSA-N 1 3 348.288 3.570 20 0 EHADHO Brc1ccc(/C=C/CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459582402 1032281109 /nfs/dbraw/zinc/28/11/09/1032281109.db2.gz RCEBTMVKLLFUJW-OWOJBTEDSA-N 1 3 335.289 3.679 20 0 EHADHO Cc1cc(NC2CCN(Cc3ccncc3)CC2)ccc1C[NH+](C)C ZINC000459739968 1032454933 /nfs/dbraw/zinc/45/49/33/1032454933.db2.gz BCUZDFPCHCEZTO-UHFFFAOYSA-N 1 3 338.499 3.528 20 0 EHADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000091286477 1032682392 /nfs/dbraw/zinc/68/23/92/1032682392.db2.gz AKZAFRARYMHYRB-IRXDYDNUSA-N 1 3 328.504 3.879 20 0 EHADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000091286477 1032682403 /nfs/dbraw/zinc/68/24/03/1032682403.db2.gz AKZAFRARYMHYRB-IRXDYDNUSA-N 1 3 328.504 3.879 20 0 EHADHO CC(C)[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccnc1 ZINC000091319335 1032683974 /nfs/dbraw/zinc/68/39/74/1032683974.db2.gz RVZLASGANOEIBR-NRFANRHFSA-N 1 3 341.499 3.899 20 0 EHADHO C[C@H](CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000377186980 1017395601 /nfs/dbraw/zinc/39/56/01/1017395601.db2.gz CSDXRNOFFWNUNG-HXUWFJFHSA-N 1 3 343.559 3.530 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@H](C)C[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000415088771 1017536314 /nfs/dbraw/zinc/53/63/14/1017536314.db2.gz MLFYIDDTXAGWHG-OCCSQVGLSA-N 1 3 335.542 3.843 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCc4cc(O)ccc4C3)CC2)C1 ZINC000683722513 1018171700 /nfs/dbraw/zinc/17/17/00/1018171700.db2.gz GIQYSYKHTJGLNO-CZAAIQMYSA-N 1 3 342.527 3.882 20 0 EHADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000340516982 1018202542 /nfs/dbraw/zinc/20/25/42/1018202542.db2.gz YAQRFARWQSZGTR-ZWOKBUDYSA-N 1 3 339.483 3.651 20 0 EHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933177 1019164110 /nfs/dbraw/zinc/16/41/10/1019164110.db2.gz BOBWWEIZNNBGMY-MHORFTMASA-N 1 3 346.540 3.602 20 0 EHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)C[C@H](C)[NH3+])o1 ZINC000580431123 1019354349 /nfs/dbraw/zinc/35/43/49/1019354349.db2.gz DQDXGIWKNUPTJX-LSDHHAIUSA-N 1 3 338.455 3.656 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035649 1020672086 /nfs/dbraw/zinc/67/20/86/1020672086.db2.gz ILCZUXZTTIQHMI-WMLDXEAASA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035649 1020672095 /nfs/dbraw/zinc/67/20/95/1020672095.db2.gz ILCZUXZTTIQHMI-WMLDXEAASA-N 1 3 339.321 3.920 20 0 EHADHO CN(CCC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)C[NH3+] ZINC000430565334 1020733655 /nfs/dbraw/zinc/73/36/55/1020733655.db2.gz FJXUTWRXGQEWHE-UHFFFAOYSA-N 1 3 339.483 3.599 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289690792 1021801066 /nfs/dbraw/zinc/80/10/66/1021801066.db2.gz JXPQWBQRVDXFHH-ZDUSSCGKSA-N 1 3 340.309 3.759 20 0 EHADHO COc1cccc(COc2cccc(Cl)c2CNCCCC[NH3+])c1 ZINC000414905836 1021843431 /nfs/dbraw/zinc/84/34/31/1021843431.db2.gz OMIAXHVWVRHGOP-UHFFFAOYSA-N 1 3 348.874 3.756 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919689 1022202695 /nfs/dbraw/zinc/20/26/95/1022202695.db2.gz GNYQCMKYBCZZBU-XLIONFOSSA-N 1 3 343.902 3.950 20 0 EHADHO FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000425918422 1022203204 /nfs/dbraw/zinc/20/32/04/1022203204.db2.gz FAZHKFKSPAFMPO-IPMKNSEASA-N 1 3 334.454 3.922 20 0 EHADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000471795856 1022246832 /nfs/dbraw/zinc/24/68/32/1022246832.db2.gz BKNSTDXEUBPBMG-PCCBWWKXSA-N 1 3 344.543 3.818 20 0 EHADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976686 1022408044 /nfs/dbraw/zinc/40/80/44/1022408044.db2.gz SAEHGRVILLDCRZ-NJAFHUGGSA-N 1 3 340.471 3.509 20 0 EHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000517567639 1022464123 /nfs/dbraw/zinc/46/41/23/1022464123.db2.gz WFECTBRTBHEQDV-LJQANCHMSA-N 1 3 328.500 3.636 20 0 EHADHO Cc1cccnc1C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167979159 1022743499 /nfs/dbraw/zinc/74/34/99/1022743499.db2.gz XBOFWSVGHAQGLE-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO Cc1cccnc1C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979159 1022743510 /nfs/dbraw/zinc/74/35/10/1022743510.db2.gz XBOFWSVGHAQGLE-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389069 1022758519 /nfs/dbraw/zinc/75/85/19/1022758519.db2.gz BGOWYUYACZSIOA-UHFFFAOYSA-N 1 3 331.504 3.650 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389069 1022758535 /nfs/dbraw/zinc/75/85/35/1022758535.db2.gz BGOWYUYACZSIOA-UHFFFAOYSA-N 1 3 331.504 3.650 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414940880 1022913195 /nfs/dbraw/zinc/91/31/95/1022913195.db2.gz KVINJLYUDWAPHO-VZEFYGNVSA-N 1 3 326.406 3.929 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158194555 1022917710 /nfs/dbraw/zinc/91/77/10/1022917710.db2.gz FSZOBCRZAFADJN-DZGCQCFKSA-N 1 3 330.501 3.506 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158194555 1022917720 /nfs/dbraw/zinc/91/77/20/1022917720.db2.gz FSZOBCRZAFADJN-DZGCQCFKSA-N 1 3 330.501 3.506 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3NCCc4ccccc43)CC2)C1 ZINC000414954346 1023011278 /nfs/dbraw/zinc/01/12/78/1023011278.db2.gz LFBIKDDDZMOUOI-PIPMEXSNSA-N 1 3 341.543 3.506 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000506925309 1023011655 /nfs/dbraw/zinc/01/16/55/1023011655.db2.gz DZTJHVZWRMLUAQ-INIZCTEOSA-N 1 3 346.515 3.572 20 0 EHADHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(Br)ccc(Cl)c2F)C1 ZINC000895206251 1023970260 /nfs/dbraw/zinc/97/02/60/1023970260.db2.gz XAUBETKBELDZMG-AOOOYVTPSA-N 1 3 349.675 3.671 20 0 EHADHO C[C@H]1CC([NH2+]C2CCN(C3CC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168019216 1023987499 /nfs/dbraw/zinc/98/74/99/1023987499.db2.gz HMWXINQTQIGDOA-ROUUACIJSA-N 1 3 341.543 3.644 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c1C ZINC000414854527 1024431453 /nfs/dbraw/zinc/43/14/53/1024431453.db2.gz VDENIPADOVJKIV-DNVCBOLYSA-N 1 3 331.504 3.518 20 0 EHADHO Fc1ccc(CC2CCN([C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000469811085 1024782456 /nfs/dbraw/zinc/78/24/56/1024782456.db2.gz UEWIKTJXWAZUSD-ROUUACIJSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(CC2CCN([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1F ZINC000469811085 1024782472 /nfs/dbraw/zinc/78/24/72/1024782472.db2.gz UEWIKTJXWAZUSD-ROUUACIJSA-N 1 3 334.454 3.846 20 0 EHADHO Cc1nc(CNCC2(c3ccccc3)CC[NH+](C)CC2)sc1C ZINC000895830167 1024893833 /nfs/dbraw/zinc/89/38/33/1024893833.db2.gz VULUWDCUVKHKJP-UHFFFAOYSA-N 1 3 329.513 3.513 20 0 EHADHO CC(=O)c1c(C)cc(C)c(CN2CCC(CC[NH+](C)C)CC2)c1C ZINC000056524789 1025219626 /nfs/dbraw/zinc/21/96/26/1025219626.db2.gz CXGBBNFRKQMJSC-UHFFFAOYSA-N 1 3 330.516 3.978 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)C2 ZINC001168284888 1033270101 /nfs/dbraw/zinc/27/01/01/1033270101.db2.gz WZSWNIKSHXEPGB-ZCNNSNEGSA-N 1 3 328.500 3.501 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)C2 ZINC001168284888 1033270111 /nfs/dbraw/zinc/27/01/11/1033270111.db2.gz WZSWNIKSHXEPGB-ZCNNSNEGSA-N 1 3 328.500 3.501 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000522779139 1025285116 /nfs/dbraw/zinc/28/51/16/1025285116.db2.gz NTOPVRDGTXCLCI-LJQANCHMSA-N 1 3 338.536 3.698 20 0 EHADHO COCc1csc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000657354999 1025425066 /nfs/dbraw/zinc/42/50/66/1025425066.db2.gz YIXREGGOECRJGA-SFHVURJKSA-N 1 3 344.524 3.549 20 0 EHADHO C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CCCN(C2CCC2)C1 ZINC000192637828 1025481121 /nfs/dbraw/zinc/48/11/21/1025481121.db2.gz OZXPSLYPYZQSPD-PXNSSMCTSA-N 1 3 342.527 3.797 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1(C)C ZINC000442875710 1025547371 /nfs/dbraw/zinc/54/73/71/1025547371.db2.gz WOSFTWUHJDLDFA-IEBWSBKVSA-N 1 3 349.950 3.592 20 0 EHADHO Cc1cccc2c1CC(C)(C)[N@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000451262449 1025718144 /nfs/dbraw/zinc/71/81/44/1025718144.db2.gz OJGBESRNUHZXBG-UHFFFAOYSA-N 1 3 343.559 3.548 20 0 EHADHO Cc1cccc2c1CC(C)(C)[N@@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000451262449 1025718162 /nfs/dbraw/zinc/71/81/62/1025718162.db2.gz OJGBESRNUHZXBG-UHFFFAOYSA-N 1 3 343.559 3.548 20 0 EHADHO CCCn1nccc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000657398050 1025924910 /nfs/dbraw/zinc/92/49/10/1025924910.db2.gz HWUVCWQPJRUQEH-ROUUACIJSA-N 1 3 340.515 3.539 20 0 EHADHO C[C@H]1CC(N2CC(N3CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063960 1026589420 /nfs/dbraw/zinc/58/94/20/1026589420.db2.gz ORXBFLHLKXZULR-OALUTQOASA-N 1 3 341.543 3.598 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000342682437 1026707240 /nfs/dbraw/zinc/70/72/40/1026707240.db2.gz YXVPLGZWCLSJNA-UHFFFAOYSA-N 1 3 346.544 3.702 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000513713298 1027253604 /nfs/dbraw/zinc/25/36/04/1027253604.db2.gz NGCDJNMBBKILGB-IXDOHACOSA-N 1 3 342.405 3.547 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000513714175 1027260928 /nfs/dbraw/zinc/26/09/28/1027260928.db2.gz ZPZGAJONTOZMCF-IXDOHACOSA-N 1 3 342.405 3.547 20 0 EHADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453060466 1027309296 /nfs/dbraw/zinc/30/92/96/1027309296.db2.gz MHBJNEJYYUUWAQ-INIZCTEOSA-N 1 3 338.499 3.612 20 0 EHADHO Fc1cccc(F)c1-c1csc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420346364 1027476863 /nfs/dbraw/zinc/47/68/63/1027476863.db2.gz WPAPZXSELHCWDC-BETUJISGSA-N 1 3 349.450 3.520 20 0 EHADHO c1ccc(C2CC2)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612626 1027629725 /nfs/dbraw/zinc/62/97/25/1027629725.db2.gz BOFQLWZJCULQDF-UHFFFAOYSA-N 1 3 335.495 3.961 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000459329964 1027643196 /nfs/dbraw/zinc/64/31/96/1027643196.db2.gz RZNTZIZXCHVOEQ-UBBRYJJRSA-N 1 3 342.527 3.611 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000503435037 1027788686 /nfs/dbraw/zinc/78/86/86/1027788686.db2.gz SMXXPPFGUYVGGP-FXAWDEMLSA-N 1 3 349.950 3.581 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000503435040 1027790251 /nfs/dbraw/zinc/79/02/51/1027790251.db2.gz SMXXPPFGUYVGGP-YLJYHZDGSA-N 1 3 349.950 3.581 20 0 EHADHO Fc1cccc2c1CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422773371 1027930622 /nfs/dbraw/zinc/93/06/22/1027930622.db2.gz YNUJNYCRPMIVKW-IRFCIJBXSA-N 1 3 338.426 3.659 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c2ccccc21 ZINC000422766074 1027944608 /nfs/dbraw/zinc/94/46/08/1027944608.db2.gz RKYUATVTJSIADC-CWFSZBLJSA-N 1 3 325.431 3.529 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c2ccccc21 ZINC000422766073 1027945063 /nfs/dbraw/zinc/94/50/63/1027945063.db2.gz RKYUATVTJSIADC-CDHQVMDDSA-N 1 3 325.431 3.529 20 0 EHADHO c1ccc([C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422803572 1027954895 /nfs/dbraw/zinc/95/48/95/1027954895.db2.gz JFVAEJJZGWFTFG-BVSLBCMMSA-N 1 3 334.463 3.983 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422808129 1027957314 /nfs/dbraw/zinc/95/73/14/1027957314.db2.gz AKGBLSVZBXKERN-MEDUHNTESA-N 1 3 325.294 3.544 20 0 EHADHO COc1ccc(C(C)(C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422856254 1027989702 /nfs/dbraw/zinc/98/97/02/1027989702.db2.gz DZZUAGAOIQABTH-ZWKOTPCHSA-N 1 3 340.467 3.716 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421031377 1027992000 /nfs/dbraw/zinc/99/20/00/1027992000.db2.gz ZXFCHODGQDNQIA-NRFANRHFSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421031377 1027992006 /nfs/dbraw/zinc/99/20/06/1027992006.db2.gz ZXFCHODGQDNQIA-NRFANRHFSA-N 1 3 343.559 3.671 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883943 1028017228 /nfs/dbraw/zinc/01/72/28/1028017228.db2.gz VZAKANHQFJPTCP-HAGHYFMRSA-N 1 3 345.531 3.625 20 0 EHADHO [NH3+]CC1CCC(N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000422884950 1028019355 /nfs/dbraw/zinc/01/93/55/1028019355.db2.gz GCVWOKKWQFTMOJ-YVNUBYTISA-N 1 3 329.875 3.932 20 0 EHADHO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422899081 1028034244 /nfs/dbraw/zinc/03/42/44/1028034244.db2.gz NPXTWBZUSGVCID-JKSUJKDBSA-N 1 3 327.472 3.584 20 0 EHADHO COc1ccccc1Oc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422905106 1028040554 /nfs/dbraw/zinc/04/05/54/1028040554.db2.gz HSCLFZAQDOTFIR-WMZOPIPTSA-N 1 3 326.440 3.705 20 0 EHADHO CCCCOc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422893227 1028049326 /nfs/dbraw/zinc/04/93/26/1028049326.db2.gz PMXVJANXLRENPN-HNNXBMFYSA-N 1 3 327.472 3.878 20 0 EHADHO CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422929860 1028057805 /nfs/dbraw/zinc/05/78/05/1028057805.db2.gz AHCYVIJQMVHEMN-YDZRNGNQSA-N 1 3 344.499 3.809 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937438 1028065580 /nfs/dbraw/zinc/06/55/80/1028065580.db2.gz GMVFNRRQHYDDKT-DOTOQJQBSA-N 1 3 338.904 3.834 20 0 EHADHO Cn1cc(-c2cccc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)cn1 ZINC000422968597 1028081895 /nfs/dbraw/zinc/08/18/95/1028081895.db2.gz XGJPEGUWOUYZIC-YADHBBJMSA-N 1 3 346.478 3.670 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Sc1ccc(Br)cc1 ZINC000422959694 1028097388 /nfs/dbraw/zinc/09/73/88/1028097388.db2.gz TYQKXTONSWPWMU-XUJVJEKNSA-N 1 3 343.334 3.647 20 0 EHADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000422959694 1028097404 /nfs/dbraw/zinc/09/74/04/1028097404.db2.gz TYQKXTONSWPWMU-XUJVJEKNSA-N 1 3 343.334 3.647 20 0 EHADHO COc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccc2OC)cc1 ZINC000423003357 1028116247 /nfs/dbraw/zinc/11/62/47/1028116247.db2.gz LTECZNHYVHBSQR-FOIQADDNSA-N 1 3 328.456 3.510 20 0 EHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423009424 1028121409 /nfs/dbraw/zinc/12/14/09/1028121409.db2.gz VPCQTMILHVQUHA-LEWJYISDSA-N 1 3 341.499 3.661 20 0 EHADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011474 1028123911 /nfs/dbraw/zinc/12/39/11/1028123911.db2.gz IUDDJZROTULAAI-BBRMVZONSA-N 1 3 335.904 3.723 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011474 1028123918 /nfs/dbraw/zinc/12/39/18/1028123918.db2.gz IUDDJZROTULAAI-BBRMVZONSA-N 1 3 335.904 3.723 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)c2ccccc21 ZINC000423012567 1028124664 /nfs/dbraw/zinc/12/46/64/1028124664.db2.gz KZMAJMYQIOBLSP-GDIGMMSISA-N 1 3 325.431 3.529 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1csc(C(C)(C)C)n1 ZINC000423027219 1028135132 /nfs/dbraw/zinc/13/51/32/1028135132.db2.gz QXSPWMCPLCFBNM-PBHICJAKSA-N 1 3 331.529 3.531 20 0 EHADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(F)c1F ZINC000423035546 1028144110 /nfs/dbraw/zinc/14/41/10/1028144110.db2.gz RTRHQGFAHWKKJF-CWRNSKLLSA-N 1 3 326.406 3.547 20 0 EHADHO COc1cc(Cl)c(CNCC2(C)CC[NH+](C)CC2)cc1Cl ZINC000503902791 1028193828 /nfs/dbraw/zinc/19/38/28/1028193828.db2.gz QBWUTBQWBDOEHO-UHFFFAOYSA-N 1 3 331.287 3.824 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423108352 1028201580 /nfs/dbraw/zinc/20/15/80/1028201580.db2.gz RAXPKSRFBVTAOB-NIKGAXFTSA-N 1 3 336.907 3.785 20 0 EHADHO Cc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1Br ZINC000423161273 1028233627 /nfs/dbraw/zinc/23/36/27/1028233627.db2.gz IOINKRXYSXZERI-LBPRGKRZSA-N 1 3 348.288 3.770 20 0 EHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423285193 1028321754 /nfs/dbraw/zinc/32/17/54/1028321754.db2.gz XYIZVUOAJVKFGY-PVXIVEMSSA-N 1 3 343.284 3.626 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cc(-c3ccccc3)nn2C)cc1 ZINC000423293428 1028328598 /nfs/dbraw/zinc/32/85/98/1028328598.db2.gz RIDJOTJLGKNILU-CVEARBPZSA-N 1 3 334.467 3.958 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCN1 ZINC000423390107 1028404087 /nfs/dbraw/zinc/40/40/87/1028404087.db2.gz VSSGYCBHJCJRKR-VMGRFDJRSA-N 1 3 337.305 3.500 20 0 EHADHO COc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(OC)c1 ZINC000423515985 1028490708 /nfs/dbraw/zinc/49/07/08/1028490708.db2.gz XUYQASDBKDQAQD-HNAYVOBHSA-N 1 3 328.456 3.835 20 0 EHADHO COc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(OC)c1 ZINC000423515986 1028490740 /nfs/dbraw/zinc/49/07/40/1028490740.db2.gz XUYQASDBKDQAQD-KXBFYZLASA-N 1 3 328.456 3.835 20 0 EHADHO CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647771 1028529182 /nfs/dbraw/zinc/52/91/82/1028529182.db2.gz OWZCLXRIOIPMCW-HKBOAZHASA-N 1 3 342.527 3.788 20 0 EHADHO CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647771 1028529191 /nfs/dbraw/zinc/52/91/91/1028529191.db2.gz OWZCLXRIOIPMCW-HKBOAZHASA-N 1 3 342.527 3.788 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000162573989 1029003120 /nfs/dbraw/zinc/00/31/20/1029003120.db2.gz JOZCYUSPUSUXOL-HXUWFJFHSA-N 1 3 340.467 3.631 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000154277645 1029080640 /nfs/dbraw/zinc/08/06/40/1029080640.db2.gz SEXNNQHJMYXQTP-HXUWFJFHSA-N 1 3 349.950 3.725 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1cccc(Br)c1 ZINC000414800464 1029158823 /nfs/dbraw/zinc/15/88/23/1029158823.db2.gz KVFARGHUZQEPCX-XNRPHZJLSA-N 1 3 325.294 3.660 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000414805575 1029206954 /nfs/dbraw/zinc/20/69/54/1029206954.db2.gz GPOFDDUPZISLBS-JTQLQIEISA-N 1 3 325.275 3.820 20 0 EHADHO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272479742 1029477169 /nfs/dbraw/zinc/47/71/69/1029477169.db2.gz MCKGEHPOJZNKSI-KAGYGMCKSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272479742 1029477175 /nfs/dbraw/zinc/47/71/75/1029477175.db2.gz MCKGEHPOJZNKSI-KAGYGMCKSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479742 1029477181 /nfs/dbraw/zinc/47/71/81/1029477181.db2.gz MCKGEHPOJZNKSI-KAGYGMCKSA-N 1 3 338.495 3.529 20 0 EHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501144 1029487054 /nfs/dbraw/zinc/48/70/54/1029487054.db2.gz LKCXNRPDWBZKQG-VXKWHMMOSA-N 1 3 348.490 3.724 20 0 EHADHO FC(F)(F)c1ccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262000906 1029547902 /nfs/dbraw/zinc/54/79/02/1029547902.db2.gz UBZAVEOYEUXRNU-CQSZACIVSA-N 1 3 326.406 3.884 20 0 EHADHO Fc1ccc(C(CN2CC[C@]3(CC[NH2+]C3)C2)c2ccc(F)cc2)cc1 ZINC000262041166 1029556084 /nfs/dbraw/zinc/55/60/84/1029556084.db2.gz PEOSQJGVHNZUDS-NRFANRHFSA-N 1 3 342.433 3.782 20 0 EHADHO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508713031 1029787050 /nfs/dbraw/zinc/78/70/50/1029787050.db2.gz FEIMQWHOPKXXGN-NEWSRXKRSA-N 1 3 344.524 3.590 20 0 EHADHO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000583511533 1029986861 /nfs/dbraw/zinc/98/68/61/1029986861.db2.gz KJCIATPIAXJSQD-IBGZPJMESA-N 1 3 347.547 3.541 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667966493 1030022263 /nfs/dbraw/zinc/02/22/63/1030022263.db2.gz KXTCZKCDYWGEKE-UHFFFAOYSA-N 1 3 332.536 3.632 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H](C)c3ccccc3)CC2)CC1 ZINC000278299832 1030047383 /nfs/dbraw/zinc/04/73/83/1030047383.db2.gz VVPPQEOAIKRKCM-FQEVSTJZSA-N 1 3 343.559 3.671 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481920944 1030121214 /nfs/dbraw/zinc/12/12/14/1030121214.db2.gz WGMCGJVUVNRFKC-KBRIMQKVSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000481920944 1030121236 /nfs/dbraw/zinc/12/12/36/1030121236.db2.gz WGMCGJVUVNRFKC-KBRIMQKVSA-N 1 3 326.406 3.853 20 0 EHADHO Cc1ncsc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771998 1030190010 /nfs/dbraw/zinc/19/00/10/1030190010.db2.gz IMJXLETVFZIWGO-SFHVURJKSA-N 1 3 341.524 3.843 20 0 EHADHO CN(C)Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000567920089 1030315701 /nfs/dbraw/zinc/31/57/01/1030315701.db2.gz DNNFSBKADPRSDV-UHFFFAOYSA-N 1 3 337.467 3.596 20 0 EHADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598346 1030336414 /nfs/dbraw/zinc/33/64/14/1030336414.db2.gz HSOXCXORRROGFV-MXASKKJJSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598346 1030336429 /nfs/dbraw/zinc/33/64/29/1030336429.db2.gz HSOXCXORRROGFV-MXASKKJJSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447600872 1030354763 /nfs/dbraw/zinc/35/47/63/1030354763.db2.gz NIPIYKUKJKROGL-COPCDDAFSA-N 1 3 341.543 3.504 20 0 EHADHO Fc1ccc2c(c1)C[C@@H]1[C@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000657790317 1030649002 /nfs/dbraw/zinc/64/90/02/1030649002.db2.gz WXIUYIXIXSQIGQ-HBMCJLEFSA-N 1 3 328.475 3.851 20 0 EHADHO C[C@@H](Cc1ccsc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527240604 1030731567 /nfs/dbraw/zinc/73/15/67/1030731567.db2.gz JOPVPNYGYWHXNE-FFZOFVMBSA-N 1 3 326.509 3.743 20 0 EHADHO C[C@@H](Cc1ccsc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527240604 1030731582 /nfs/dbraw/zinc/73/15/82/1030731582.db2.gz JOPVPNYGYWHXNE-FFZOFVMBSA-N 1 3 326.509 3.743 20 0 EHADHO Cc1ccc([C@@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000278457214 1030938873 /nfs/dbraw/zinc/93/88/73/1030938873.db2.gz MFDSYRJABNTQES-COPCDDAFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000278457214 1030938881 /nfs/dbraw/zinc/93/88/81/1030938881.db2.gz MFDSYRJABNTQES-COPCDDAFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457214 1030938894 /nfs/dbraw/zinc/93/88/94/1030938894.db2.gz MFDSYRJABNTQES-COPCDDAFSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168094864 1030986069 /nfs/dbraw/zinc/98/60/69/1030986069.db2.gz XNLLVFNHCSIOIV-KXBFYZLASA-N 1 3 336.907 3.709 20 0 EHADHO COc1cncc(/C=C/CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000583931813 1031157763 /nfs/dbraw/zinc/15/77/63/1031157763.db2.gz GYKYIHFTIBYDPG-GHAAFOEMSA-N 1 3 343.515 3.736 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993770 1031403319 /nfs/dbraw/zinc/40/33/19/1031403319.db2.gz IDMXBCUDWMHIGY-CZUORRHYSA-N 1 3 337.305 3.644 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976255 1031412827 /nfs/dbraw/zinc/41/28/27/1031412827.db2.gz ONSGDEJNGMNYEA-UONOGXRCSA-N 1 3 328.859 3.663 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000483976255 1031412839 /nfs/dbraw/zinc/41/28/39/1031412839.db2.gz ONSGDEJNGMNYEA-UONOGXRCSA-N 1 3 328.859 3.663 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(Br)c1 ZINC000666996792 1031449166 /nfs/dbraw/zinc/44/91/66/1031449166.db2.gz FYJZWZJHBXHTLB-XJKSGUPXSA-N 1 3 337.305 3.817 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000194872445 1031578415 /nfs/dbraw/zinc/57/84/15/1031578415.db2.gz BJWXQCDEUNYCNX-ULQDDVLXSA-N 1 3 336.545 3.949 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000178040217 1031611392 /nfs/dbraw/zinc/61/13/92/1031611392.db2.gz CREUDSBTHGVDHZ-SCTDSRPQSA-N 1 3 334.504 3.625 20 0 EHADHO CC1(C)[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC000551781149 1031652596 /nfs/dbraw/zinc/65/25/96/1031652596.db2.gz ODLWRESJUVSUQJ-WXDAQCLHSA-N 1 3 328.500 3.839 20 0 EHADHO CC(C)(C[NH3+])C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000904443430 1032050674 /nfs/dbraw/zinc/05/06/74/1032050674.db2.gz JKEQIVLSEJSWQJ-UHFFFAOYSA-N 1 3 348.441 3.552 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414061 1033566011 /nfs/dbraw/zinc/56/60/11/1033566011.db2.gz BYMISBOARUQTLT-IIBYNOLFSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168414061 1033566015 /nfs/dbraw/zinc/56/60/15/1033566015.db2.gz BYMISBOARUQTLT-IIBYNOLFSA-N 1 3 326.459 3.780 20 0 EHADHO Clc1ccc2c(ccn2CCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000685566798 1033573882 /nfs/dbraw/zinc/57/38/82/1033573882.db2.gz WCMPTXXXKOMDQP-UHFFFAOYSA-N 1 3 340.858 3.512 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658236626 1034105348 /nfs/dbraw/zinc/10/53/48/1034105348.db2.gz KCOPZFHPWHSBGE-DKZVUGQWSA-N 1 3 336.479 3.880 20 0 EHADHO C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000658240879 1034111908 /nfs/dbraw/zinc/11/19/08/1034111908.db2.gz SMYORTQEJIQNNN-YCRPNKLZSA-N 1 3 340.467 3.671 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000509453413 1034522219 /nfs/dbraw/zinc/52/22/19/1034522219.db2.gz MBHMASSGDDUPJX-OAQYLSRUSA-N 1 3 348.494 3.953 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c[nH]nc2c1 ZINC000509453413 1034522231 /nfs/dbraw/zinc/52/22/31/1034522231.db2.gz MBHMASSGDDUPJX-OAQYLSRUSA-N 1 3 348.494 3.953 20 0 EHADHO CC[C@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1[NH3+] ZINC000647498211 1035349294 /nfs/dbraw/zinc/34/92/94/1035349294.db2.gz CUPUBZJMABEYRG-HKUYNNGSSA-N 1 3 334.467 3.585 20 0 EHADHO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(C)C ZINC000892517217 1035373911 /nfs/dbraw/zinc/37/39/11/1035373911.db2.gz DQUBGZWSTVDAGP-MIGBEJBISA-N 1 3 332.488 3.758 20 0 EHADHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OCC(C)C ZINC000511484587 1035617480 /nfs/dbraw/zinc/61/74/80/1035617480.db2.gz ZWPWQQDMMCELCH-UHFFFAOYSA-N 1 3 348.531 3.894 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164665105 1035730619 /nfs/dbraw/zinc/73/06/19/1035730619.db2.gz CPBYKLYKOLZNDO-WBVHZDCISA-N 1 3 327.497 3.744 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164665105 1035730636 /nfs/dbraw/zinc/73/06/36/1035730636.db2.gz CPBYKLYKOLZNDO-WBVHZDCISA-N 1 3 327.497 3.744 20 0 EHADHO COc1ccc(CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173974841 1035740700 /nfs/dbraw/zinc/74/07/00/1035740700.db2.gz XDKSOQGPHWUVQO-NRFANRHFSA-N 1 3 338.495 3.692 20 0 EHADHO COc1ccc(CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173974841 1035740714 /nfs/dbraw/zinc/74/07/14/1035740714.db2.gz XDKSOQGPHWUVQO-NRFANRHFSA-N 1 3 338.495 3.692 20 0 EHADHO COc1cc(OC)c([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000414202843 1036040374 /nfs/dbraw/zinc/04/03/74/1036040374.db2.gz ZIMMQWYSIRRSNZ-ZIAGYGMSSA-N 1 3 340.895 3.740 20 0 EHADHO COc1cc(OC)c([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414202843 1036040394 /nfs/dbraw/zinc/04/03/94/1036040394.db2.gz ZIMMQWYSIRRSNZ-ZIAGYGMSSA-N 1 3 340.895 3.740 20 0 EHADHO CCN(C)c1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000190889583 1036289116 /nfs/dbraw/zinc/28/91/16/1036289116.db2.gz GVNJXTWINBJTST-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO CCN(C)c1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000190889583 1036289132 /nfs/dbraw/zinc/28/91/32/1036289132.db2.gz GVNJXTWINBJTST-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(Br)o1 ZINC000190772246 1036292813 /nfs/dbraw/zinc/29/28/13/1036292813.db2.gz YQJXOUSTJRTMNU-ZDUSSCGKSA-N 1 3 329.282 3.786 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(Br)o1 ZINC000190772246 1036292835 /nfs/dbraw/zinc/29/28/35/1036292835.db2.gz YQJXOUSTJRTMNU-ZDUSSCGKSA-N 1 3 329.282 3.786 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000414303824 1036545962 /nfs/dbraw/zinc/54/59/62/1036545962.db2.gz DSCHBPDCTNGFQB-PLMTUMEDSA-N 1 3 348.506 3.534 20 0 EHADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC1CCCC1 ZINC000192817886 1036556112 /nfs/dbraw/zinc/55/61/12/1036556112.db2.gz AFXZIHDEQBRPQP-AYHJJNSGSA-N 1 3 344.499 3.731 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000310269934 1036798366 /nfs/dbraw/zinc/79/83/66/1036798366.db2.gz NCOIEAFSYOUODN-HKBOAZHASA-N 1 3 330.516 3.693 20 0 EHADHO CC[C@H](C)CN(C)c1ccc(F)cc1CNCC1=CC[N@H+](C)CC1 ZINC000539544523 1036896826 /nfs/dbraw/zinc/89/68/26/1036896826.db2.gz HNKBBWPRNKHGQX-INIZCTEOSA-N 1 3 333.495 3.660 20 0 EHADHO CC[C@H](C)CN(C)c1ccc(F)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000539544523 1036896848 /nfs/dbraw/zinc/89/68/48/1036896848.db2.gz HNKBBWPRNKHGQX-INIZCTEOSA-N 1 3 333.495 3.660 20 0 EHADHO CCOC1(C)CCN([C@@H](C)CC[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428741756 1037054641 /nfs/dbraw/zinc/05/46/41/1037054641.db2.gz ASUHTGVJXYIDPL-SFHVURJKSA-N 1 3 340.552 3.547 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838566 1037245772 /nfs/dbraw/zinc/24/57/72/1037245772.db2.gz XDKOJONHRVNXJB-WMLDXEAASA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838566 1037245788 /nfs/dbraw/zinc/24/57/88/1037245788.db2.gz XDKOJONHRVNXJB-WMLDXEAASA-N 1 3 339.321 3.920 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000171133104 1037478695 /nfs/dbraw/zinc/47/86/95/1037478695.db2.gz JHAFHBWQBQAMBJ-KRWDZBQOSA-N 1 3 342.483 3.877 20 0 EHADHO COC1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000377331799 1037562905 /nfs/dbraw/zinc/56/29/05/1037562905.db2.gz VNCIUBLHIQUASL-MWXLCCTBSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000377330463 1037564351 /nfs/dbraw/zinc/56/43/51/1037564351.db2.gz NLELRHCYVNGTBH-KOUHRCEDSA-N 1 3 330.516 3.834 20 0 EHADHO CC(C)(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532538688 1037570848 /nfs/dbraw/zinc/57/08/48/1037570848.db2.gz VMGOLUHDJXVZTK-PMACEKPBSA-N 1 3 330.516 3.788 20 0 EHADHO CC(C)(C)OCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532538688 1037570862 /nfs/dbraw/zinc/57/08/62/1037570862.db2.gz VMGOLUHDJXVZTK-PMACEKPBSA-N 1 3 330.516 3.788 20 0 EHADHO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1(C)C ZINC000463024875 1037655361 /nfs/dbraw/zinc/65/53/61/1037655361.db2.gz QWPAXLHWJKNWNH-QHAWAJNXSA-N 1 3 344.543 3.733 20 0 EHADHO c1cc2c(c(CN3CCC(CCC[NH+]4CCCC4)CC3)c1)OCO2 ZINC000538753158 1038518466 /nfs/dbraw/zinc/51/84/66/1038518466.db2.gz RLWNWNCSOTYXKU-UHFFFAOYSA-N 1 3 330.472 3.503 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1CN1CCCCC1 ZINC000182198137 1038558630 /nfs/dbraw/zinc/55/86/30/1038558630.db2.gz QCQXQGXVIQRXIE-LPHOPBHVSA-N 1 3 332.488 3.511 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1F ZINC000539075006 1038671618 /nfs/dbraw/zinc/67/16/18/1038671618.db2.gz NYJFYZCYFOVDPF-PXNSSMCTSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1F ZINC000539075006 1038671623 /nfs/dbraw/zinc/67/16/23/1038671623.db2.gz NYJFYZCYFOVDPF-PXNSSMCTSA-N 1 3 342.458 3.705 20 0 EHADHO CN(C)CC[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccnc1 ZINC000905553297 1038962743 /nfs/dbraw/zinc/96/27/43/1038962743.db2.gz VDFVQSOHLUSIRR-YADHBBJMSA-N 1 3 349.478 3.551 20 0 EHADHO Cc1ccc(-c2ncc(CN(C)CC3CC[NH+](C)CC3)s2)cc1 ZINC000093089383 1039013463 /nfs/dbraw/zinc/01/34/63/1039013463.db2.gz VHLOKWPNRYWANP-UHFFFAOYSA-N 1 3 329.513 3.892 20 0 EHADHO Cc1c[nH+]ccc1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480019628 1039041004 /nfs/dbraw/zinc/04/10/04/1039041004.db2.gz SSUJIHULDSGQQH-INIZCTEOSA-N 1 3 335.373 3.517 20 0 EHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Br)c(F)c1 ZINC000489600884 1040101033 /nfs/dbraw/zinc/10/10/33/1040101033.db2.gz BWHHPJZFRSVMBR-LLVKDONJSA-N 1 3 331.273 3.827 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667786525 1040191696 /nfs/dbraw/zinc/19/16/96/1040191696.db2.gz SYZYSJGPZRXQFC-MAODMQOUSA-N 1 3 328.500 3.718 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667786525 1040191706 /nfs/dbraw/zinc/19/17/06/1040191706.db2.gz SYZYSJGPZRXQFC-MAODMQOUSA-N 1 3 328.500 3.718 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512614577 1040276168 /nfs/dbraw/zinc/27/61/68/1040276168.db2.gz WMQSQOATJHCDHG-BRWVUGGUSA-N 1 3 326.406 3.829 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512614577 1040276181 /nfs/dbraw/zinc/27/61/81/1040276181.db2.gz WMQSQOATJHCDHG-BRWVUGGUSA-N 1 3 326.406 3.829 20 0 EHADHO CC(C)[C@H](COCc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000479515281 1040332953 /nfs/dbraw/zinc/33/29/53/1040332953.db2.gz IGEWQISCTKRCJK-CBNMVNINSA-N 1 3 330.516 3.834 20 0 EHADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@H](C)C2 ZINC000490121129 1040362025 /nfs/dbraw/zinc/36/20/25/1040362025.db2.gz ZAZMSIIAHZNZGH-HTAPYJJXSA-N 1 3 338.495 3.959 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(OC(C)C)cc1 ZINC000567642495 1040476337 /nfs/dbraw/zinc/47/63/37/1040476337.db2.gz LINSNUOFISGFPN-HNNXBMFYSA-N 1 3 327.472 3.529 20 0 EHADHO C(=C/c1ccncc1)\CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988614 1040625912 /nfs/dbraw/zinc/62/59/12/1040625912.db2.gz QECGLOAECNSUKM-YDZHWAMISA-N 1 3 327.497 3.658 20 0 EHADHO C(=C/c1ccncc1)\CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988614 1040625921 /nfs/dbraw/zinc/62/59/21/1040625921.db2.gz QECGLOAECNSUKM-YDZHWAMISA-N 1 3 327.497 3.658 20 0 EHADHO OCc1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000311172199 1040774793 /nfs/dbraw/zinc/77/47/93/1040774793.db2.gz UEOYANLBQUGTLU-QFIPXVFZSA-N 1 3 338.495 3.571 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000481711137 1041289697 /nfs/dbraw/zinc/28/96/97/1041289697.db2.gz DPCBQLQGLGKXSV-CKEIUWERSA-N 1 3 339.321 3.884 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000481711137 1041289709 /nfs/dbraw/zinc/28/97/09/1041289709.db2.gz DPCBQLQGLGKXSV-CKEIUWERSA-N 1 3 339.321 3.884 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000481731726 1041306078 /nfs/dbraw/zinc/30/60/78/1041306078.db2.gz DADBBDSIEWBAKB-YLJYHZDGSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000481731726 1041306089 /nfs/dbraw/zinc/30/60/89/1041306089.db2.gz DADBBDSIEWBAKB-YLJYHZDGSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786346 1042031797 /nfs/dbraw/zinc/03/17/97/1042031797.db2.gz SZGMTJWFCQMKPN-CZUORRHYSA-N 1 3 340.870 3.557 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C2CC2)c1 ZINC000663470656 1042900936 /nfs/dbraw/zinc/90/09/36/1042900936.db2.gz WBALJLKKFRWUIO-DENIHFKCSA-N 1 3 342.527 3.728 20 0 EHADHO COc1cccc(OC)c1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000512004862 1042973558 /nfs/dbraw/zinc/97/35/58/1042973558.db2.gz CAYPHAFIHLHGFE-UHFFFAOYSA-N 1 3 334.504 3.552 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430476 1044068288 /nfs/dbraw/zinc/06/82/88/1044068288.db2.gz GOIBPEDRJMFRFF-RVKKMQEKSA-N 1 3 343.446 3.831 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000163229752 1125709022 /nfs/dbraw/zinc/70/90/22/1125709022.db2.gz RAANLKOENWHDJA-BDJLRTHQSA-N 1 3 341.268 3.507 20 0 EHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623343848 1126923096 /nfs/dbraw/zinc/92/30/96/1126923096.db2.gz KZHIBCDVMMUTRB-IBGZPJMESA-N 1 3 340.515 3.511 20 0 EHADHO C[N@@H+]1CC[C@@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356561 1126929127 /nfs/dbraw/zinc/92/91/27/1126929127.db2.gz XAUNNABTDZBSBV-RTBURBONSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356561 1126929129 /nfs/dbraw/zinc/92/91/29/1126929129.db2.gz XAUNNABTDZBSBV-RTBURBONSA-N 1 3 349.950 3.939 20 0 EHADHO C[C@@H]1C[C@@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@@H+]1C ZINC000180440922 1127155856 /nfs/dbraw/zinc/15/58/56/1127155856.db2.gz TWYBYVSHSBAGCS-CJNGLKHVSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H]1C[C@@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@H+]1C ZINC000180440922 1127155857 /nfs/dbraw/zinc/15/58/57/1127155857.db2.gz TWYBYVSHSBAGCS-CJNGLKHVSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624124218 1127257579 /nfs/dbraw/zinc/25/75/79/1127257579.db2.gz ZYUGVVNMAAHMAR-HOCLYGCPSA-N 1 3 339.321 3.702 20 0 EHADHO C[C@H](CC1CCCCC1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183331662 1127372987 /nfs/dbraw/zinc/37/29/87/1127372987.db2.gz DIRNQWIEKIQOMB-CTNGQTDRSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@H](CC1CCCCC1)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183331662 1127372990 /nfs/dbraw/zinc/37/29/90/1127372990.db2.gz DIRNQWIEKIQOMB-CTNGQTDRSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@H]([NH2+]CCCOCCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185737042 1127430806 /nfs/dbraw/zinc/43/08/06/1127430806.db2.gz HWGCIUSKWVFQGC-FPOVZHCZSA-N 1 3 344.543 3.878 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921619242 1127834526 /nfs/dbraw/zinc/83/45/26/1127834526.db2.gz NSJUJPCXFWQHGW-QKNQBKEWSA-N 1 3 334.548 3.826 20 0 EHADHO COc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166269165 1128102382 /nfs/dbraw/zinc/10/23/82/1128102382.db2.gz SHSMLUYWAGUDLE-QZTJIDSGSA-N 1 3 328.500 3.723 20 0 EHADHO COc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166269165 1128102386 /nfs/dbraw/zinc/10/23/86/1128102386.db2.gz SHSMLUYWAGUDLE-QZTJIDSGSA-N 1 3 328.500 3.723 20 0 EHADHO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282235383 1128121615 /nfs/dbraw/zinc/12/16/15/1128121615.db2.gz ZRLIEPQRKTXECI-IRLDBZIGSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282235383 1128121618 /nfs/dbraw/zinc/12/16/18/1128121618.db2.gz ZRLIEPQRKTXECI-IRLDBZIGSA-N 1 3 343.559 3.589 20 0 EHADHO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000655835333 1128492153 /nfs/dbraw/zinc/49/21/53/1128492153.db2.gz NQHYGTVVLFCWRR-KPUOSGPGSA-N 1 3 349.522 3.903 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000191441049 1120673874 /nfs/dbraw/zinc/67/38/74/1120673874.db2.gz BBYJEEYKOJHLGB-FQEVSTJZSA-N 1 3 343.559 3.703 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000191441049 1120673876 /nfs/dbraw/zinc/67/38/76/1120673876.db2.gz BBYJEEYKOJHLGB-FQEVSTJZSA-N 1 3 343.559 3.703 20 0 EHADHO Cc1nc(CCN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000125472928 1122317609 /nfs/dbraw/zinc/31/76/09/1122317609.db2.gz ZELGYWRSIBPFPX-MRXNPFEDSA-N 1 3 335.561 3.971 20 0 EHADHO Cc1nc(CCN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000125472928 1122317617 /nfs/dbraw/zinc/31/76/17/1122317617.db2.gz ZELGYWRSIBPFPX-MRXNPFEDSA-N 1 3 335.561 3.971 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000129540317 1122797767 /nfs/dbraw/zinc/79/77/67/1122797767.db2.gz NSOXBGGKEXVOMY-LVQVYYBASA-N 1 3 336.442 3.587 20 0 EHADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868638 1123159107 /nfs/dbraw/zinc/15/91/07/1123159107.db2.gz URCMZBZAVUCUBA-CZUORRHYSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868638 1123159109 /nfs/dbraw/zinc/15/91/09/1123159109.db2.gz URCMZBZAVUCUBA-CZUORRHYSA-N 1 3 330.394 3.968 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132345862 1123220280 /nfs/dbraw/zinc/22/02/80/1123220280.db2.gz JRAWTUFMMKAZBS-OAHLLOKOSA-N 1 3 329.410 3.655 20 0 EHADHO C[C@H](c1cccc(Br)c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133427395 1123393220 /nfs/dbraw/zinc/39/32/20/1123393220.db2.gz HYGMICORLZXQQQ-ZIAGYGMSSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@H](c1cccc(Br)c1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133427395 1123393224 /nfs/dbraw/zinc/39/32/24/1123393224.db2.gz HYGMICORLZXQQQ-ZIAGYGMSSA-N 1 3 325.294 3.784 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245755963 1123946451 /nfs/dbraw/zinc/94/64/51/1123946451.db2.gz UVPWOEUUWADQFP-MZADTFQBSA-N 1 3 336.479 3.980 20 0 EHADHO COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245768014 1123948543 /nfs/dbraw/zinc/94/85/43/1123948543.db2.gz WTYOAVXHDAAJTG-MZADTFQBSA-N 1 3 336.479 3.980 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000245952029 1123989478 /nfs/dbraw/zinc/98/94/78/1123989478.db2.gz LIBZLKDQRHBIFF-IRXDYDNUSA-N 1 3 325.500 3.655 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H](C)c3c2cccc3Br)C1 ZINC000246987958 1124574900 /nfs/dbraw/zinc/57/49/00/1124574900.db2.gz KAFGOUYVVOJJRW-ZENOOKHLSA-N 1 3 337.305 3.929 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H]2C[C@H](C)c3c2cccc3Br)C1 ZINC000246987958 1124574905 /nfs/dbraw/zinc/57/49/05/1124574905.db2.gz KAFGOUYVVOJJRW-ZENOOKHLSA-N 1 3 337.305 3.929 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)C1 ZINC000246987958 1124574914 /nfs/dbraw/zinc/57/49/14/1124574914.db2.gz KAFGOUYVVOJJRW-ZENOOKHLSA-N 1 3 337.305 3.929 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC1CCCC1 ZINC000247112158 1124588813 /nfs/dbraw/zinc/58/88/13/1124588813.db2.gz TWVFEZNTPYRHCE-FRQCXROJSA-N 1 3 346.515 3.835 20 0 EHADHO CCOCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248391999 1124655221 /nfs/dbraw/zinc/65/52/21/1124655221.db2.gz CQDHYSPZQYOSQZ-PWRODBHTSA-N 1 3 330.516 3.693 20 0 EHADHO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248411043 1124659503 /nfs/dbraw/zinc/65/95/03/1124659503.db2.gz HVPAIMYUZUGIKR-OJAHFUOMSA-N 1 3 330.516 3.690 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000249587619 1124767055 /nfs/dbraw/zinc/76/70/55/1124767055.db2.gz OPQBUUHONUGWHP-KFKAGJAMSA-N 1 3 348.556 3.827 20 0 EHADHO c1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210704 1125412592 /nfs/dbraw/zinc/41/25/92/1125412592.db2.gz LPKGEQXZBFUBBW-KJJMTIBFSA-N 1 3 341.543 3.724 20 0 EHADHO c1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210712 1125413153 /nfs/dbraw/zinc/41/31/53/1125413153.db2.gz LPKGEQXZBFUBBW-YSFYHYPLSA-N 1 3 341.543 3.724 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000479071212 1129339973 /nfs/dbraw/zinc/33/99/73/1129339973.db2.gz RCGLJYCXEJBUHS-VQIMIIECSA-N 1 3 334.504 3.647 20 0 EHADHO CS[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000922244913 1129394151 /nfs/dbraw/zinc/39/41/51/1129394151.db2.gz ZEHQVICDUPUOCL-MOPGFXCFSA-N 1 3 333.545 3.557 20 0 EHADHO CCc1noc([C@H]2CC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC000922870717 1129701813 /nfs/dbraw/zinc/70/18/13/1129701813.db2.gz UHAPNNPHVMVGKK-DOTOQJQBSA-N 1 3 346.519 3.655 20 0 EHADHO CCc1noc([C@H]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)n1 ZINC000922870717 1129701816 /nfs/dbraw/zinc/70/18/16/1129701816.db2.gz UHAPNNPHVMVGKK-DOTOQJQBSA-N 1 3 346.519 3.655 20 0 EHADHO Fc1cccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000530225288 1130074827 /nfs/dbraw/zinc/07/48/27/1130074827.db2.gz VHDXHSVNIVVMDM-UHFFFAOYSA-N 1 3 340.442 3.515 20 0 EHADHO c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCN(CC4CCOCC4)CC3)C2)cc1 ZINC001172555032 1131768115 /nfs/dbraw/zinc/76/81/15/1131768115.db2.gz CQDDZGSWRBYNGN-IFMALSPDSA-N 1 3 342.527 3.803 20 0 EHADHO C(C1CCOCC1)N1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172725636 1131825475 /nfs/dbraw/zinc/82/54/75/1131825475.db2.gz ARAFDVJQMUSGCJ-UHFFFAOYSA-N 1 3 334.548 3.970 20 0 EHADHO CO[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001172925882 1131908178 /nfs/dbraw/zinc/90/81/78/1131908178.db2.gz LFLDALWPNPSHNJ-MOPGFXCFSA-N 1 3 334.479 3.585 20 0 EHADHO CCN(CC)C[C@@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743388608 1131908477 /nfs/dbraw/zinc/90/84/77/1131908477.db2.gz UNDWWLKVKCQOBA-INIZCTEOSA-N 1 3 329.513 3.992 20 0 EHADHO CCN(CC)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743388608 1131908481 /nfs/dbraw/zinc/90/84/81/1131908481.db2.gz UNDWWLKVKCQOBA-INIZCTEOSA-N 1 3 329.513 3.992 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2c(F)cc(OC)cc2F)CC1 ZINC001173103986 1131967995 /nfs/dbraw/zinc/96/79/95/1131967995.db2.gz YTLNKWNUIGMDBO-UHFFFAOYSA-N 1 3 326.431 3.716 20 0 EHADHO CCCN1C[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@H]2C1 ZINC001173206145 1132011564 /nfs/dbraw/zinc/01/15/64/1132011564.db2.gz NXWYOGVMGMGAAR-NQAMIAIDSA-N 1 3 328.500 3.650 20 0 EHADHO CCc1ccc(C[C@@H](C)[NH2+]C2CCN(CC3CCOCC3)CC2)cc1 ZINC001173241994 1132029052 /nfs/dbraw/zinc/02/90/52/1132029052.db2.gz RRVZMIVUMDSULB-GOSISDBHSA-N 1 3 344.543 3.661 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099570 1132656333 /nfs/dbraw/zinc/65/63/33/1132656333.db2.gz BTAGQBYMFCLHJP-AXVVYFOYSA-N 1 3 332.463 3.508 20 0 EHADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)c(Br)c1 ZINC001169116936 1132661838 /nfs/dbraw/zinc/66/18/38/1132661838.db2.gz UGFXAUKYEVMQKI-DOERSZECSA-N 1 3 341.268 3.864 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162982 1132684814 /nfs/dbraw/zinc/68/48/14/1132684814.db2.gz WAZHXMHJGZIBDA-MXTNKPTQSA-N 1 3 328.475 3.731 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(CCc4c3cccc4F)C1)C2 ZINC001169162982 1132684817 /nfs/dbraw/zinc/68/48/17/1132684817.db2.gz WAZHXMHJGZIBDA-MXTNKPTQSA-N 1 3 328.475 3.731 20 0 EHADHO C[NH+](C)CCC(C)(C)Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC001169718670 1132834699 /nfs/dbraw/zinc/83/46/99/1132834699.db2.gz QTHYLQOWVPVBKF-UHFFFAOYSA-N 1 3 325.378 3.818 20 0 EHADHO CCCC[NH+](CCCC)CCCN[C@H]1CCCC2(C1)OCCO2 ZINC001169909718 1132897337 /nfs/dbraw/zinc/89/73/37/1132897337.db2.gz LWMPMKBQRKXXNN-SFHVURJKSA-N 1 3 326.525 3.554 20 0 EHADHO CCC[C@@](C)(NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891246 1133007564 /nfs/dbraw/zinc/00/75/64/1133007564.db2.gz CIABDTMUOXFJMM-FGZHOGPDSA-N 1 3 340.511 3.784 20 0 EHADHO CCC[C@@](C)(NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891246 1133007571 /nfs/dbraw/zinc/00/75/71/1133007571.db2.gz CIABDTMUOXFJMM-FGZHOGPDSA-N 1 3 340.511 3.784 20 0 EHADHO C[C@]1(C[NH3+])CCCN(C/C(Br)=C/c2ccccc2)CC1 ZINC001206295151 1133037058 /nfs/dbraw/zinc/03/70/58/1133037058.db2.gz LSRIFZWVSXQNLT-WBILKINKSA-N 1 3 337.305 3.873 20 0 EHADHO CC1(C)CC(N2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC(C)(C)N1O ZINC001169994618 1133172476 /nfs/dbraw/zinc/17/24/76/1133172476.db2.gz GCWCLGDZCKJCRB-UHFFFAOYSA-N 1 3 349.563 3.738 20 0 EHADHO CC1(C)CC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC(C)(C)N1O ZINC001169994618 1133172479 /nfs/dbraw/zinc/17/24/79/1133172479.db2.gz GCWCLGDZCKJCRB-UHFFFAOYSA-N 1 3 349.563 3.738 20 0 EHADHO C[N@@H+](Cc1ccc2c(c1)COC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769402177 1133277339 /nfs/dbraw/zinc/27/73/39/1133277339.db2.gz CSXSPNKPLQAAQK-HXUWFJFHSA-N 1 3 336.479 3.671 20 0 EHADHO C[N@H+](Cc1ccc2c(c1)COC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769402177 1133277342 /nfs/dbraw/zinc/27/73/42/1133277342.db2.gz CSXSPNKPLQAAQK-HXUWFJFHSA-N 1 3 336.479 3.671 20 0 EHADHO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001181222071 1133471714 /nfs/dbraw/zinc/47/17/14/1133471714.db2.gz DNNHTBSDQOHMNU-BQJUDKOJSA-N 1 3 344.543 3.816 20 0 EHADHO COc1cccc(COc2ccc(C[N@H+](C)CCCN(C)C)cc2)c1 ZINC001181555268 1133500153 /nfs/dbraw/zinc/50/01/53/1133500153.db2.gz KIJMCYULUTZQSQ-UHFFFAOYSA-N 1 3 342.483 3.658 20 0 EHADHO COc1cccc(COc2ccc(C[N@@H+](C)CCCN(C)C)cc2)c1 ZINC001181555268 1133500156 /nfs/dbraw/zinc/50/01/56/1133500156.db2.gz KIJMCYULUTZQSQ-UHFFFAOYSA-N 1 3 342.483 3.658 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482874 1133688128 /nfs/dbraw/zinc/68/81/28/1133688128.db2.gz FIHLTWSQMQWHSJ-BWAGFHJFSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482874 1133688130 /nfs/dbraw/zinc/68/81/30/1133688130.db2.gz FIHLTWSQMQWHSJ-BWAGFHJFSA-N 1 3 338.495 3.671 20 0 EHADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788244592 1134099038 /nfs/dbraw/zinc/09/90/38/1134099038.db2.gz NTKYXVSBJSOVJC-IAGOWNOFSA-N 1 3 341.540 3.532 20 0 EHADHO CC(C)[N@H+](C)CCCN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788244592 1134099031 /nfs/dbraw/zinc/09/90/31/1134099031.db2.gz NTKYXVSBJSOVJC-IAGOWNOFSA-N 1 3 341.540 3.532 20 0 EHADHO C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001170134430 1134408574 /nfs/dbraw/zinc/40/85/74/1134408574.db2.gz BYUMYGYXWMWAKB-SQNIBIBYSA-N 1 3 348.556 3.992 20 0 EHADHO CC1CCN(C[C@@H]2CCC[N@H+](C[Si](C)(C)c3ccccc3)C2)CC1 ZINC001190650411 1134731418 /nfs/dbraw/zinc/73/14/18/1134731418.db2.gz CSVRGLUMELLFFR-FQEVSTJZSA-N 1 3 344.619 3.585 20 0 EHADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[Si](C)(C)c3ccccc3)C2)CC1 ZINC001190650411 1134731422 /nfs/dbraw/zinc/73/14/22/1134731422.db2.gz CSVRGLUMELLFFR-FQEVSTJZSA-N 1 3 344.619 3.585 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCCN1CCCC[C@@H]1C ZINC001170407963 1134770703 /nfs/dbraw/zinc/77/07/03/1134770703.db2.gz PVXAVPNLIIIRKU-FUHWJXTLSA-N 1 3 332.488 3.591 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1CN1CCCCC1 ZINC000810256517 1135949520 /nfs/dbraw/zinc/94/95/20/1135949520.db2.gz BGFKZTMRETYWPE-IXDOHACOSA-N 1 3 334.504 3.755 20 0 EHADHO CCC(CC)C[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201525856 1136037952 /nfs/dbraw/zinc/03/79/52/1136037952.db2.gz MGWKCXMESBSDFT-YADHBBJMSA-N 1 3 348.575 3.883 20 0 EHADHO CCC(CC)C[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001201525856 1136037955 /nfs/dbraw/zinc/03/79/55/1136037955.db2.gz MGWKCXMESBSDFT-YADHBBJMSA-N 1 3 348.575 3.883 20 0 EHADHO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OC)c(CN(CC)CC)c2)C1 ZINC000850514722 1136275188 /nfs/dbraw/zinc/27/51/88/1136275188.db2.gz PNWGQKLLKQJAKE-SNRMKQJTSA-N 1 3 334.504 3.755 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](SC)C2)CC1 ZINC000776702328 1136578759 /nfs/dbraw/zinc/57/87/59/1136578759.db2.gz YJNFDKOFQXTUIR-MOPGFXCFSA-N 1 3 347.572 3.592 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000815560512 1136610852 /nfs/dbraw/zinc/61/08/52/1136610852.db2.gz JGOHSQROMJMKGX-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1)C(C)(C)O ZINC000815652296 1136626937 /nfs/dbraw/zinc/62/69/37/1136626937.db2.gz WPQCODINUZEHMT-HNAYVOBHSA-N 1 3 336.520 3.737 20 0 EHADHO C[C@@H](NCCCN1c2ccccc2Sc2ccccc21)C1C[NH2+]C1 ZINC000817911084 1136845783 /nfs/dbraw/zinc/84/57/83/1136845783.db2.gz GMXIPJWXBWIKNK-OAHLLOKOSA-N 1 3 339.508 3.877 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCN2CC(C)C)c1 ZINC001136174252 1136901050 /nfs/dbraw/zinc/90/10/50/1136901050.db2.gz GZDXIEYBCUCRJF-LJQANCHMSA-N 1 3 331.504 3.587 20 0 EHADHO C[C@H](Cc1ccccc1Br)NCC[C@@H]1CCCC[NH2+]1 ZINC001246238913 1137095833 /nfs/dbraw/zinc/09/58/33/1137095833.db2.gz AWSYZGSQVNFFNP-HIFRSBDPSA-N 1 3 325.294 3.502 20 0 EHADHO CCOc1ccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000844220208 1137203302 /nfs/dbraw/zinc/20/33/02/1137203302.db2.gz AXZZSLSXDNHNSE-UHFFFAOYSA-N 1 3 345.512 3.911 20 0 EHADHO Cc1cc(CN[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000119903295 1137218345 /nfs/dbraw/zinc/21/83/45/1137218345.db2.gz MSPDCBULLOLTNC-HNNXBMFYSA-N 1 3 345.462 3.638 20 0 EHADHO c1cc2ccc(C[NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)nc2[nH]1 ZINC001144185331 1137251045 /nfs/dbraw/zinc/25/10/45/1137251045.db2.gz CFAYNEPHUBDIBZ-UHFFFAOYSA-N 1 3 346.478 3.661 20 0 EHADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000773029512 1137460427 /nfs/dbraw/zinc/46/04/27/1137460427.db2.gz JUEITHJHFYDLCF-SJLPKXTDSA-N 1 3 340.458 3.629 20 0 EHADHO C[C@@H](CC(F)(F)F)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624480 1137487840 /nfs/dbraw/zinc/48/78/40/1137487840.db2.gz HJBBQQYASPQFJH-LLLHUVSDSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CC(F)(F)F)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624480 1137487841 /nfs/dbraw/zinc/48/78/41/1137487841.db2.gz HJBBQQYASPQFJH-LLLHUVSDSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624480 1137487842 /nfs/dbraw/zinc/48/78/42/1137487842.db2.gz HJBBQQYASPQFJH-LLLHUVSDSA-N 1 3 326.406 3.970 20 0 EHADHO FC(F)(F)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716626746 1137487897 /nfs/dbraw/zinc/48/78/97/1137487897.db2.gz QJMQNEKXBUJDHA-ULQDDVLXSA-N 1 3 326.406 3.972 20 0 EHADHO Cc1cccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000716708577 1137488537 /nfs/dbraw/zinc/48/85/37/1137488537.db2.gz RCHROVLMKOJLDY-BVSLBCMMSA-N 1 3 335.495 3.575 20 0 EHADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1nccs1 ZINC000716701608 1137488627 /nfs/dbraw/zinc/48/86/27/1137488627.db2.gz SCALWDOGDDXUMJ-WNHJNPCNSA-N 1 3 341.524 3.889 20 0 EHADHO Cc1cccc2c1CC[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)C2 ZINC001171560588 1137498202 /nfs/dbraw/zinc/49/82/02/1137498202.db2.gz TVOCFQNBOQQPQK-QFIPXVFZSA-N 1 3 349.522 3.749 20 0 EHADHO C[C@H](CC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171624765 1137501234 /nfs/dbraw/zinc/50/12/34/1137501234.db2.gz WQIWOYFPDOSQIP-CQSZACIVSA-N 1 3 341.540 3.531 20 0 EHADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678863 1137503471 /nfs/dbraw/zinc/50/34/71/1137503471.db2.gz HYWMDGSJHCODDC-KNQAVFIVSA-N 1 3 344.543 3.891 20 0 EHADHO CC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171965756 1137520516 /nfs/dbraw/zinc/52/05/16/1137520516.db2.gz RHQXKLNIXBCVGW-FVQBIDKESA-N 1 3 326.406 3.520 20 0 EHADHO CCN1CCC([N@H+](C)[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985724 1137526984 /nfs/dbraw/zinc/52/69/84/1137526984.db2.gz ZFEAWFKRBKNDOB-NRFANRHFSA-N 1 3 343.559 3.846 20 0 EHADHO CCN1CCC([N@@H+](C)[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985724 1137526986 /nfs/dbraw/zinc/52/69/86/1137526986.db2.gz ZFEAWFKRBKNDOB-NRFANRHFSA-N 1 3 343.559 3.846 20 0 EHADHO CCN1CCC([N@H+](C)[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985725 1137527076 /nfs/dbraw/zinc/52/70/76/1137527076.db2.gz ZFEAWFKRBKNDOB-OAQYLSRUSA-N 1 3 343.559 3.846 20 0 EHADHO CCN1CCC([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985725 1137527078 /nfs/dbraw/zinc/52/70/78/1137527078.db2.gz ZFEAWFKRBKNDOB-OAQYLSRUSA-N 1 3 343.559 3.846 20 0 EHADHO CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086820 1137532260 /nfs/dbraw/zinc/53/22/60/1137532260.db2.gz JDEVFQOCLBLQSW-YJMBLLCNSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC001172086820 1137532261 /nfs/dbraw/zinc/53/22/61/1137532261.db2.gz JDEVFQOCLBLQSW-YJMBLLCNSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090353 1137532266 /nfs/dbraw/zinc/53/22/66/1137532266.db2.gz UKTCLDWLUGQESU-YJMBLLCNSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090353 1137532267 /nfs/dbraw/zinc/53/22/67/1137532267.db2.gz UKTCLDWLUGQESU-YJMBLLCNSA-N 1 3 341.543 3.598 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001172098425 1137532353 /nfs/dbraw/zinc/53/23/53/1137532353.db2.gz DVVJTMCTNLOKCS-REPLKXPHSA-N 1 3 344.499 3.747 20 0 EHADHO COc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1C(F)(F)F ZINC001172106147 1137536320 /nfs/dbraw/zinc/53/63/20/1137536320.db2.gz MVSYTZBIQZZHMT-QKDCVEJESA-N 1 3 342.405 3.819 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172113809 1137537926 /nfs/dbraw/zinc/53/79/26/1137537926.db2.gz MODLEHXTNQPETP-OHLDOZIISA-N 1 3 341.543 3.502 20 0 EHADHO Clc1ccc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001172222942 1137542104 /nfs/dbraw/zinc/54/21/04/1137542104.db2.gz LDYBKMLNIMWELT-IHWFROFDSA-N 1 3 348.918 3.852 20 0 EHADHO COc1ccccc1CC1(N)CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172371481 1137555259 /nfs/dbraw/zinc/55/52/59/1137555259.db2.gz UNAJNFGYEUEQIZ-YQVWRLOYSA-N 1 3 330.516 3.856 20 0 EHADHO COc1ccc(CN(Cc2cc3c(s2)CC[NH2+]C3)C2CC2)cc1 ZINC000873200648 1137593840 /nfs/dbraw/zinc/59/38/40/1137593840.db2.gz KBILGZODEAZOOH-UHFFFAOYSA-N 1 3 328.481 3.567 20 0 EHADHO COCCN(Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)c1ccccc1 ZINC000873202905 1137593965 /nfs/dbraw/zinc/59/39/65/1137593965.db2.gz HUIKZCRHPNOMQC-OAHLLOKOSA-N 1 3 330.497 3.603 20 0 EHADHO FC(F)(F)c1cnc(CN[C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232922 1137594634 /nfs/dbraw/zinc/59/46/34/1137594634.db2.gz RPNOLRSQZRNWDZ-NSHDSACASA-N 1 3 333.423 3.564 20 0 EHADHO C[C@H](N[C@@H](c1cc2ccccc2o1)c1cccnc1)C1CC[NH2+]CC1 ZINC000873272507 1137596055 /nfs/dbraw/zinc/59/60/55/1137596055.db2.gz UIOMHSQKQRWTAM-YCRPNKLZSA-N 1 3 335.451 3.895 20 0 EHADHO COCc1cc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1OC ZINC000125956822 1137652220 /nfs/dbraw/zinc/65/22/20/1137652220.db2.gz CBPCNYNQUGOGKM-BEFAXECRSA-N 1 3 336.520 3.859 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706717 /nfs/dbraw/zinc/70/67/17/1137706717.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 1 3 328.500 3.713 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706718 /nfs/dbraw/zinc/70/67/18/1137706718.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706719 /nfs/dbraw/zinc/70/67/19/1137706719.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@@H]21 ZINC000878196970 1137706720 /nfs/dbraw/zinc/70/67/20/1137706720.db2.gz KIOQHUXRFLUWTL-ANULTFPQSA-N 1 3 328.500 3.713 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706784 /nfs/dbraw/zinc/70/67/84/1137706784.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 1 3 328.500 3.713 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706785 /nfs/dbraw/zinc/70/67/85/1137706785.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706786 /nfs/dbraw/zinc/70/67/86/1137706786.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196972 1137706787 /nfs/dbraw/zinc/70/67/87/1137706787.db2.gz KIOQHUXRFLUWTL-MHTWAQMVSA-N 1 3 328.500 3.713 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)O2)cc1 ZINC000878286897 1137709918 /nfs/dbraw/zinc/70/99/18/1137709918.db2.gz UXKYDZRDDJGJAY-YJMBLLCNSA-N 1 3 340.511 3.855 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)O2)cc1 ZINC000878286897 1137709919 /nfs/dbraw/zinc/70/99/19/1137709919.db2.gz UXKYDZRDDJGJAY-YJMBLLCNSA-N 1 3 340.511 3.855 20 0 EHADHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880471403 1137779579 /nfs/dbraw/zinc/77/95/79/1137779579.db2.gz VEEHGBGBYVCHHG-UHFFFAOYSA-N 1 3 343.515 3.582 20 0 EHADHO c1ccc([C@@H]2CCC[C@H](CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)O2)cc1 ZINC000883430624 1137860537 /nfs/dbraw/zinc/86/05/37/1137860537.db2.gz YXLZSFSVWDFKBG-BQJUDKOJSA-N 1 3 328.500 3.761 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258975 1137886122 /nfs/dbraw/zinc/88/61/22/1137886122.db2.gz ZEDWIFKJQFVHOB-KRWDZBQOSA-N 1 3 327.447 3.880 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000348258975 1137886123 /nfs/dbraw/zinc/88/61/23/1137886123.db2.gz ZEDWIFKJQFVHOB-KRWDZBQOSA-N 1 3 327.447 3.880 20 0 EHADHO CSC1(CNCc2nc3ccccc3n2C(C)C)CC[NH+](C)CC1 ZINC001202627888 1137896301 /nfs/dbraw/zinc/89/63/01/1137896301.db2.gz BBJCHCPNMVZCBZ-UHFFFAOYSA-N 1 3 346.544 3.534 20 0 EHADHO CC1(C)C[C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331713869 1137918027 /nfs/dbraw/zinc/91/80/27/1137918027.db2.gz MJBGEOGELDMDEM-CRAIPNDOSA-N 1 3 329.488 3.636 20 0 EHADHO CC1(C)C[C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331713869 1137918028 /nfs/dbraw/zinc/91/80/28/1137918028.db2.gz MJBGEOGELDMDEM-CRAIPNDOSA-N 1 3 329.488 3.636 20 0 EHADHO CC[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000121034240 1137954578 /nfs/dbraw/zinc/95/45/78/1137954578.db2.gz GLJSICPOGNANGC-NRFANRHFSA-N 1 3 340.515 3.893 20 0 EHADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)c(F)c1OC ZINC000885923335 1138024626 /nfs/dbraw/zinc/02/46/26/1138024626.db2.gz XCKUAUSIPVPLDO-OAHLLOKOSA-N 1 3 338.467 3.587 20 0 EHADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)c(F)c1OC ZINC000885923335 1138024628 /nfs/dbraw/zinc/02/46/28/1138024628.db2.gz XCKUAUSIPVPLDO-OAHLLOKOSA-N 1 3 338.467 3.587 20 0 EHADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccncc1 ZINC000886536688 1138092471 /nfs/dbraw/zinc/09/24/71/1138092471.db2.gz NBKOJYHAQYFQEK-HQMSXXKGSA-N 1 3 335.495 3.828 20 0 EHADHO CC(C)[C@@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000091399208 1138218889 /nfs/dbraw/zinc/21/88/89/1138218889.db2.gz ORUXZXGVPVIMHT-PCCBWWKXSA-N 1 3 330.516 3.741 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000125828829 1138317485 /nfs/dbraw/zinc/31/74/85/1138317485.db2.gz UBBAWDNEQQTCKN-DLBZAZTESA-N 1 3 332.488 3.619 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000152164126 1139077635 /nfs/dbraw/zinc/07/76/35/1139077635.db2.gz WEFXZJZOWPCFBW-MELADBBJSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152164126 1139077643 /nfs/dbraw/zinc/07/76/43/1139077643.db2.gz WEFXZJZOWPCFBW-MELADBBJSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000178035347 1139664519 /nfs/dbraw/zinc/66/45/19/1139664519.db2.gz QHKGBUOXGVGJPR-SOLBZPMBSA-N 1 3 334.529 3.703 20 0 EHADHO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000178620172 1139708118 /nfs/dbraw/zinc/70/81/18/1139708118.db2.gz GFMVWYRJQYZISW-KXBFYZLASA-N 1 3 343.540 3.975 20 0 EHADHO Cc1ccsc1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268306470 1140917787 /nfs/dbraw/zinc/91/77/87/1140917787.db2.gz AGLPDRJNIKYPQN-UHFFFAOYSA-N 1 3 343.540 3.877 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000268947628 1141033479 /nfs/dbraw/zinc/03/34/79/1141033479.db2.gz BOLWBDPLUNYMFT-KRWDZBQOSA-N 1 3 340.467 3.586 20 0 EHADHO C/C(=C\c1ccccc1)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000271242112 1141331777 /nfs/dbraw/zinc/33/17/77/1141331777.db2.gz YWWYMQQBRJCYFX-LVZFUZTISA-N 1 3 341.543 3.580 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000283401732 1141618175 /nfs/dbraw/zinc/61/81/75/1141618175.db2.gz QJZSLURBYPDSKF-UXHICEINSA-N 1 3 344.499 3.631 20 0 EHADHO C[NH+](C)CCCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000299321491 524052751 /nfs/dbraw/zinc/05/27/51/524052751.db2.gz IHSGSICXPRGJDD-UHFFFAOYSA-N 1 3 329.469 3.988 20 0 EHADHO C[NH+](C)[C@H]1CCCN(c2nccc3c2ccn3Cc2ccccc2)C1 ZINC001165040436 721892621 /nfs/dbraw/zinc/89/26/21/721892621.db2.gz VZSUSNAYPIEEBJ-SFHVURJKSA-N 1 3 334.467 3.615 20 0 EHADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547580 1014512369 /nfs/dbraw/zinc/51/23/69/1014512369.db2.gz HILWXWRFZHDXFE-DZGCQCFKSA-N 1 3 326.406 3.901 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)c(F)c1 ZINC000624122368 1016923599 /nfs/dbraw/zinc/92/35/99/1016923599.db2.gz PIZQDRISQFANPM-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO Cn1cc(CCCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000449112053 1032235051 /nfs/dbraw/zinc/23/50/51/1032235051.db2.gz PFXKIYDPWRODMX-UHFFFAOYSA-N 1 3 334.552 3.622 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449218504 1032334706 /nfs/dbraw/zinc/33/47/06/1032334706.db2.gz IXBHVRGTBNIEBX-UYAOXDASSA-N 1 3 349.950 3.593 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCSCC(F)(F)F)CC1 ZINC000536854898 1032352043 /nfs/dbraw/zinc/35/20/43/1032352043.db2.gz XCWSPTYXLPHORK-UKRRQHHQSA-N 1 3 338.483 3.915 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305338 1032424158 /nfs/dbraw/zinc/42/41/58/1032424158.db2.gz RZOXLJGGFALSIJ-IEBWSBKVSA-N 1 3 349.950 3.592 20 0 EHADHO Cc1cc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc(C)c1F ZINC000090937040 1032580496 /nfs/dbraw/zinc/58/04/96/1032580496.db2.gz YZNGZAXFJWHPEO-INIZCTEOSA-N 1 3 345.462 3.629 20 0 EHADHO CC(C)N1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000449462504 1032611175 /nfs/dbraw/zinc/61/11/75/1032611175.db2.gz VJIAJJIYIPJAHT-ARJAWSKDSA-N 1 3 337.305 3.925 20 0 EHADHO Cc1cccnc1CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449503617 1032684652 /nfs/dbraw/zinc/68/46/52/1032684652.db2.gz XUYCYEAGQFROEQ-LJQANCHMSA-N 1 3 337.511 3.618 20 0 EHADHO CCN(CC)c1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415059127 1017471252 /nfs/dbraw/zinc/47/12/52/1017471252.db2.gz ULLCAJBWOTZIQX-QGZVFWFLSA-N 1 3 332.517 3.559 20 0 EHADHO CC[C@@H](CN[C@H]1CCC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000415127213 1017578795 /nfs/dbraw/zinc/57/87/95/1017578795.db2.gz VNVAQRKFHCWTQP-KBPBESRZSA-N 1 3 330.394 3.595 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415128190 1017591925 /nfs/dbraw/zinc/59/19/25/1017591925.db2.gz RUSRKYHYXJVCEG-TZIWHRDSSA-N 1 3 346.515 3.584 20 0 EHADHO Cc1nnc([C@@H](C)NC2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC000340494341 1018147186 /nfs/dbraw/zinc/14/71/86/1018147186.db2.gz UCYPBVIGKXTXMH-RWBZWWBESA-N 1 3 344.528 3.940 20 0 EHADHO Cc1nnc([C@@H](C)NC2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000340494341 1018147195 /nfs/dbraw/zinc/14/71/95/1018147195.db2.gz UCYPBVIGKXTXMH-RWBZWWBESA-N 1 3 344.528 3.940 20 0 EHADHO c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)c2c(c1)CCCN2 ZINC000894154458 1018720170 /nfs/dbraw/zinc/72/01/70/1018720170.db2.gz YVCGPIFXZDWNJZ-UHFFFAOYSA-N 1 3 335.495 3.930 20 0 EHADHO c1ccc(N2CC[C@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000152494925 1018792359 /nfs/dbraw/zinc/79/23/59/1018792359.db2.gz NVXYXCZMECTZIT-LJQANCHMSA-N 1 3 341.543 3.900 20 0 EHADHO c1nc2cc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2[nH]1 ZINC000580363864 1019187457 /nfs/dbraw/zinc/18/74/57/1019187457.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1nc2cc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2[nH]1 ZINC000580363864 1019187461 /nfs/dbraw/zinc/18/74/61/1019187461.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1nc2ccc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363864 1019187463 /nfs/dbraw/zinc/18/74/63/1019187463.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1nc2ccc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363864 1019187466 /nfs/dbraw/zinc/18/74/66/1019187466.db2.gz RBBPTSBMONHXAC-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO COC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000580361678 1019188723 /nfs/dbraw/zinc/18/87/23/1019188723.db2.gz GKIDYCLKZCVJQK-OAADDMNDSA-N 1 3 342.527 3.834 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398199844 1019945365 /nfs/dbraw/zinc/94/53/65/1019945365.db2.gz PFBJRNMDBOTMDN-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398199844 1019945371 /nfs/dbraw/zinc/94/53/71/1019945371.db2.gz PFBJRNMDBOTMDN-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000232656313 1020959241 /nfs/dbraw/zinc/95/92/41/1020959241.db2.gz XGJTUOPPQMFLMU-AWEZNQCLSA-N 1 3 327.310 3.700 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000581515885 1021035858 /nfs/dbraw/zinc/03/58/58/1021035858.db2.gz NDHWQTBDDSDWNR-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000581515885 1021035862 /nfs/dbraw/zinc/03/58/62/1021035862.db2.gz NDHWQTBDDSDWNR-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO CC[NH+]1CCC(N[C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000341199983 1021085225 /nfs/dbraw/zinc/08/52/25/1021085225.db2.gz ZFBJGEFVDMGKJP-QGZVFWFLSA-N 1 3 337.305 3.900 20 0 EHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000507356307 1021207274 /nfs/dbraw/zinc/20/72/74/1021207274.db2.gz FCFXXQLJKYZBJZ-UHFFFAOYSA-N 1 3 343.284 3.893 20 0 EHADHO CC(C)N1CCC([N@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000507356307 1021207260 /nfs/dbraw/zinc/20/72/60/1021207260.db2.gz FCFXXQLJKYZBJZ-UHFFFAOYSA-N 1 3 343.284 3.893 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558279 1032969824 /nfs/dbraw/zinc/96/98/24/1032969824.db2.gz KMAJYJBGFQVJIX-IEBWSBKVSA-N 1 3 344.499 3.676 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558279 1032969835 /nfs/dbraw/zinc/96/98/35/1032969835.db2.gz KMAJYJBGFQVJIX-IEBWSBKVSA-N 1 3 344.499 3.676 20 0 EHADHO Brc1ccsc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782011 1021321174 /nfs/dbraw/zinc/32/11/74/1021321174.db2.gz CNJYNYRGTKNJPP-CYBMUJFWSA-N 1 3 343.334 3.722 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899040 1021595019 /nfs/dbraw/zinc/59/50/19/1021595019.db2.gz CBHCOTKJZRFVPB-RDTXWAMCSA-N 1 3 326.431 3.588 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414901904 1021738808 /nfs/dbraw/zinc/73/88/08/1021738808.db2.gz GQIINMADUSTOEK-OXJNMPFZSA-N 1 3 331.504 3.506 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1(C)C ZINC000441341945 1022180466 /nfs/dbraw/zinc/18/04/66/1022180466.db2.gz QBULWKSAAPKBDC-SFTDATJTSA-N 1 3 343.559 3.719 20 0 EHADHO CCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995468 1022441721 /nfs/dbraw/zinc/44/17/21/1022441721.db2.gz GNWVBFXQHGTRJV-WCRBZPEASA-N 1 3 333.564 3.590 20 0 EHADHO CCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995468 1022441727 /nfs/dbraw/zinc/44/17/27/1022441727.db2.gz GNWVBFXQHGTRJV-WCRBZPEASA-N 1 3 333.564 3.590 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@@H](C)O1 ZINC000438180148 1022444966 /nfs/dbraw/zinc/44/49/66/1022444966.db2.gz SQHMXRNZFVAKKY-UGESXGAOSA-N 1 3 344.543 3.976 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535685370 1023563988 /nfs/dbraw/zinc/56/39/88/1023563988.db2.gz HXRYSXCLUPILGH-LJQANCHMSA-N 1 3 336.907 3.808 20 0 EHADHO Clc1sc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Br ZINC000191693463 1024149658 /nfs/dbraw/zinc/14/96/58/1024149658.db2.gz WROKPBYNNMELFI-SECBINFHSA-N 1 3 349.725 3.738 20 0 EHADHO COc1cc2c(cc1F)CC[C@@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000281369310 1024354296 /nfs/dbraw/zinc/35/42/96/1024354296.db2.gz WMRWJOFUCMHCKS-IBGZPJMESA-N 1 3 328.431 3.673 20 0 EHADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430113827 1024383752 /nfs/dbraw/zinc/38/37/52/1024383752.db2.gz OEHBNPBCFAKFAW-QFIPXVFZSA-N 1 3 336.479 3.890 20 0 EHADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430113827 1024383768 /nfs/dbraw/zinc/38/37/68/1024383768.db2.gz OEHBNPBCFAKFAW-QFIPXVFZSA-N 1 3 336.479 3.890 20 0 EHADHO COc1cccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425889 1024911906 /nfs/dbraw/zinc/91/19/06/1024911906.db2.gz FFTTZONLAKFSNS-IBGZPJMESA-N 1 3 342.508 3.901 20 0 EHADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000414877734 1025373076 /nfs/dbraw/zinc/37/30/76/1025373076.db2.gz NDSYCCXXOLPJRF-AWEZNQCLSA-N 1 3 348.874 3.612 20 0 EHADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012369 1025408675 /nfs/dbraw/zinc/40/86/75/1025408675.db2.gz HLYVQWOKBAQXDE-FUHWJXTLSA-N 1 3 334.467 3.585 20 0 EHADHO C[N@H+](CCCN[C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442648789 1025409931 /nfs/dbraw/zinc/40/99/31/1025409931.db2.gz LXUUWZKNSUBMRZ-MRXNPFEDSA-N 1 3 325.500 3.879 20 0 EHADHO C[N@@H+](CCCN[C@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442648789 1025409938 /nfs/dbraw/zinc/40/99/38/1025409938.db2.gz LXUUWZKNSUBMRZ-MRXNPFEDSA-N 1 3 325.500 3.879 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760750 1025457405 /nfs/dbraw/zinc/45/74/05/1025457405.db2.gz AKSFHQUXYJDWHV-SJORKVTESA-N 1 3 326.440 3.527 20 0 EHADHO Cc1ccc([C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CCCC2)cc1 ZINC000442878045 1025558386 /nfs/dbraw/zinc/55/83/86/1025558386.db2.gz SDCMMKJJMHNPCM-OAQYLSRUSA-N 1 3 343.559 3.842 20 0 EHADHO CN1CCN(CC[NH2+][C@H](c2cccs2)C2CCCC2)CC1(C)C ZINC000442893293 1025574202 /nfs/dbraw/zinc/57/42/02/1025574202.db2.gz XQORFPPQOQXMFA-SFHVURJKSA-N 1 3 335.561 3.595 20 0 EHADHO Fc1ccc(C(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301341 1025785511 /nfs/dbraw/zinc/78/55/11/1025785511.db2.gz BXDCVRFLSLFCDM-QZTJIDSGSA-N 1 3 342.433 3.638 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)C[C@H](C)N1Cc1ccccc1 ZINC001168015822 1025887110 /nfs/dbraw/zinc/88/71/10/1025887110.db2.gz SLFWZEUDCATXME-OPMZPASUSA-N 1 3 338.495 3.710 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000530939608 1026421690 /nfs/dbraw/zinc/42/16/90/1026421690.db2.gz DUXGKIRBOVJMCJ-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000530939608 1026421697 /nfs/dbraw/zinc/42/16/97/1026421697.db2.gz DUXGKIRBOVJMCJ-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000530939608 1026421705 /nfs/dbraw/zinc/42/17/05/1026421705.db2.gz DUXGKIRBOVJMCJ-CALCHBBNSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCN1Cc1ccccc1 ZINC000530953021 1026441176 /nfs/dbraw/zinc/44/11/76/1026441176.db2.gz UQUZIHYDCZTVSU-VQIMIIECSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3nc[nH]c3c2)CCN1Cc1ccccc1 ZINC000530953021 1026441184 /nfs/dbraw/zinc/44/11/84/1026441184.db2.gz UQUZIHYDCZTVSU-VQIMIIECSA-N 1 3 334.467 3.706 20 0 EHADHO CN(C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000132837705 1026551717 /nfs/dbraw/zinc/55/17/17/1026551717.db2.gz DJLXTGBQTFIUED-JOCHJYFZSA-N 1 3 343.559 3.546 20 0 EHADHO CN(C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000132837501 1026552040 /nfs/dbraw/zinc/55/20/40/1026552040.db2.gz DJLXTGBQTFIUED-QFIPXVFZSA-N 1 3 343.559 3.546 20 0 EHADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000563425608 1026869763 /nfs/dbraw/zinc/86/97/63/1026869763.db2.gz OVPLOZXAGWQHMK-MRVWCRGKSA-N 1 3 343.334 3.789 20 0 EHADHO Brc1ccc([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)s1 ZINC000420363177 1027490996 /nfs/dbraw/zinc/49/09/96/1027490996.db2.gz BIJJTTTUQCKLHB-NWDGAFQWSA-N 1 3 329.307 3.647 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3ccsc3)CC2)cc1 ZINC000420360701 1027487855 /nfs/dbraw/zinc/48/78/55/1027487855.db2.gz MBFBWWWTVRJISN-GOSISDBHSA-N 1 3 330.497 3.679 20 0 EHADHO c1cc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc2o1 ZINC000657613525 1027629315 /nfs/dbraw/zinc/62/93/15/1027629315.db2.gz MLUAKYXWYPNCFY-UHFFFAOYSA-N 1 3 335.451 3.830 20 0 EHADHO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657612998 1027631640 /nfs/dbraw/zinc/63/16/40/1027631640.db2.gz TVYKYWCWBHEWEI-OXJNMPFZSA-N 1 3 339.483 3.800 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000501968223 1027671404 /nfs/dbraw/zinc/67/14/04/1027671404.db2.gz UWRLDAVIMUVJKX-VXKWHMMOSA-N 1 3 343.559 3.719 20 0 EHADHO C[NH+](C)CCC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000130554953 1027678837 /nfs/dbraw/zinc/67/88/37/1027678837.db2.gz UBPKDBXHERLQKD-UHFFFAOYSA-N 1 3 346.906 3.689 20 0 EHADHO CC(C)OC1CC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000582790771 1027719492 /nfs/dbraw/zinc/71/94/92/1027719492.db2.gz FCRGEHHJJJOAOF-QNGMFEMESA-N 1 3 330.516 3.834 20 0 EHADHO FC(F)(F)[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC12CCC2 ZINC000582127027 1027890223 /nfs/dbraw/zinc/89/02/23/1027890223.db2.gz DIOSUGSNEKTBDE-KRWDZBQOSA-N 1 3 338.417 3.887 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCSc1ccc(Cl)cc1 ZINC000422761867 1027910577 /nfs/dbraw/zinc/91/05/77/1027910577.db2.gz HTZQLYFMQWABPS-LBPRGKRZSA-N 1 3 335.904 3.945 20 0 EHADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422766062 1027946695 /nfs/dbraw/zinc/94/66/95/1027946695.db2.gz RKIYYDKAEYQHND-FYZZASKESA-N 1 3 345.506 3.695 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422835938 1027977709 /nfs/dbraw/zinc/97/77/09/1027977709.db2.gz ZKTBXFWNEIRHDZ-LPHOPBHVSA-N 1 3 334.467 3.503 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422868467 1028028372 /nfs/dbraw/zinc/02/83/72/1028028372.db2.gz VBYVPNLMCYSATO-GCJKJVERSA-N 1 3 338.495 3.881 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422941684 1028069860 /nfs/dbraw/zinc/06/98/60/1028069860.db2.gz VJTILRUNSBYGLR-RTBURBONSA-N 1 3 332.875 3.773 20 0 EHADHO N[C@@H]1C[C@H]([NH2+]CCNc2cccc(Br)c2)c2ccccc21 ZINC000422962123 1028075431 /nfs/dbraw/zinc/07/54/31/1028075431.db2.gz DWLMDQFXHRRIKQ-SJORKVTESA-N 1 3 346.272 3.595 20 0 EHADHO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCC1 ZINC000423032596 1028140723 /nfs/dbraw/zinc/14/07/23/1028140723.db2.gz FRZSISCRZMDQEN-HNNXBMFYSA-N 1 3 339.483 3.630 20 0 EHADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(F)c1F ZINC000423035549 1028143220 /nfs/dbraw/zinc/14/32/20/1028143220.db2.gz RTRHQGFAHWKKJF-VNQPRFMTSA-N 1 3 326.406 3.547 20 0 EHADHO Brc1cccc(C[C@@H](CC2CC2)[NH2+]C2CCNCC2)c1 ZINC000423055332 1028167178 /nfs/dbraw/zinc/16/71/78/1028167178.db2.gz VXIGGFIQRMDIKQ-QGZVFWFLSA-N 1 3 337.305 3.502 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1OC ZINC000502472029 1028231789 /nfs/dbraw/zinc/23/17/89/1028231789.db2.gz LGKKYOHPXUXKAO-ROUUACIJSA-N 1 3 348.531 3.797 20 0 EHADHO C[NH+]1CCC(C)(CNCc2c(Cl)cccc2N2CCCC2)CC1 ZINC000503931300 1028237092 /nfs/dbraw/zinc/23/70/92/1028237092.db2.gz QSCIZFBTGJJIIX-UHFFFAOYSA-N 1 3 335.923 3.762 20 0 EHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000421368842 1028321502 /nfs/dbraw/zinc/32/15/02/1028321502.db2.gz GQZZNRMIJVRHQJ-UHFFFAOYSA-N 1 3 341.543 3.556 20 0 EHADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000421368842 1028321517 /nfs/dbraw/zinc/32/15/17/1028321517.db2.gz GQZZNRMIJVRHQJ-UHFFFAOYSA-N 1 3 341.543 3.556 20 0 EHADHO COc1ccc(C[C@@H]([NH2+]C[C@@H](N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270674 1028335708 /nfs/dbraw/zinc/33/57/08/1028335708.db2.gz IJMLUTJTZQWUJS-NHCUHLMSSA-N 1 3 342.483 3.561 20 0 EHADHO CC(C)[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272589 1028336218 /nfs/dbraw/zinc/33/62/18/1028336218.db2.gz JWFRVDMFXGTHKD-CABCVRRESA-N 1 3 333.476 3.900 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2(N)CCC2)CCC3)cc1 ZINC000423321015 1028352569 /nfs/dbraw/zinc/35/25/69/1028352569.db2.gz HAIQAVQYMFCAQY-OAHLLOKOSA-N 1 3 343.496 3.667 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)OCCCO2 ZINC000423296786 1028355204 /nfs/dbraw/zinc/35/52/04/1028355204.db2.gz ZVPNWCJXBCKDEC-LSDHHAIUSA-N 1 3 326.440 3.718 20 0 EHADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423299333 1028356818 /nfs/dbraw/zinc/35/68/18/1028356818.db2.gz PTSIQGLBLNSUGX-IUCAKERBSA-N 1 3 328.300 3.970 20 0 EHADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423343839 1028358519 /nfs/dbraw/zinc/35/85/19/1028358519.db2.gz XIOYEDAKEURVQO-CYBMUJFWSA-N 1 3 333.476 3.990 20 0 EHADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423444908 1028431463 /nfs/dbraw/zinc/43/14/63/1028431463.db2.gz ROLVTYUPUBVION-FUEDEBDSSA-N 1 3 341.268 3.627 20 0 EHADHO COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195136074 1028583034 /nfs/dbraw/zinc/58/30/34/1028583034.db2.gz XOVBXAJVWRXETL-NVXWUHKLSA-N 1 3 330.497 3.929 20 0 EHADHO CN(C)Cc1cccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000424135685 1028825475 /nfs/dbraw/zinc/82/54/75/1028825475.db2.gz PHNLNCMRFSDBKH-GOSISDBHSA-N 1 3 331.504 3.765 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(OC)cc2)[C@H](C)C1 ZINC000247971824 1028836463 /nfs/dbraw/zinc/83/64/63/1028836463.db2.gz JMWROZLYCJWGFP-QMMLZNLJSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(OC)cc2)[C@H](C)C1 ZINC000247971824 1028836474 /nfs/dbraw/zinc/83/64/74/1028836474.db2.gz JMWROZLYCJWGFP-QMMLZNLJSA-N 1 3 348.531 3.873 20 0 EHADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809533 1029260289 /nfs/dbraw/zinc/26/02/89/1029260289.db2.gz GVBQYTWADHAYOD-QWHCGFSZSA-N 1 3 345.409 3.530 20 0 EHADHO C[C@@H](N[C@@H](C)c1cccc(CO)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279732 1029396230 /nfs/dbraw/zinc/39/62/30/1029396230.db2.gz CRLTZWQWIKAZMT-SVMVAKDDSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H](N[C@@H](C)c1cccc(CO)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279732 1029396238 /nfs/dbraw/zinc/39/62/38/1029396238.db2.gz CRLTZWQWIKAZMT-SVMVAKDDSA-N 1 3 338.495 3.740 20 0 EHADHO CC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155108129 1029424214 /nfs/dbraw/zinc/42/42/14/1029424214.db2.gz DSPWVEUVVKAJLC-APWZRJJASA-N 1 3 327.472 3.512 20 0 EHADHO CC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155108129 1029424222 /nfs/dbraw/zinc/42/42/22/1029424222.db2.gz DSPWVEUVVKAJLC-APWZRJJASA-N 1 3 327.472 3.512 20 0 EHADHO Nc1cccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000261710768 1029487378 /nfs/dbraw/zinc/48/73/78/1029487378.db2.gz PPJBXYZNAAHPTC-JOCHJYFZSA-N 1 3 335.495 3.757 20 0 EHADHO Nc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000261710768 1029487384 /nfs/dbraw/zinc/48/73/84/1029487384.db2.gz PPJBXYZNAAHPTC-JOCHJYFZSA-N 1 3 335.495 3.757 20 0 EHADHO COc1ccc(CN2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1 ZINC001279151322 1029588809 /nfs/dbraw/zinc/58/88/09/1029588809.db2.gz GWVMRTLOBYVPMR-UHFFFAOYSA-N 1 3 336.479 3.674 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446921542 1029854981 /nfs/dbraw/zinc/85/49/81/1029854981.db2.gz SKFHIDUWZSSIAI-ABSDTBQOSA-N 1 3 338.499 3.736 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921542 1029854986 /nfs/dbraw/zinc/85/49/86/1029854986.db2.gz SKFHIDUWZSSIAI-ABSDTBQOSA-N 1 3 338.499 3.736 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948488 1030115602 /nfs/dbraw/zinc/11/56/02/1030115602.db2.gz UTTBMWYVBIYMDL-GPMSIDNRSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948488 1030115607 /nfs/dbraw/zinc/11/56/07/1030115607.db2.gz UTTBMWYVBIYMDL-GPMSIDNRSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CCN1C ZINC000531948488 1030115619 /nfs/dbraw/zinc/11/56/19/1030115619.db2.gz UTTBMWYVBIYMDL-GPMSIDNRSA-N 1 3 335.923 3.549 20 0 EHADHO CCCN1CCC([NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000447518809 1030241890 /nfs/dbraw/zinc/24/18/90/1030241890.db2.gz WYFUUCQFLZDGHD-INIZCTEOSA-N 1 3 348.487 3.606 20 0 EHADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161793186 1030277022 /nfs/dbraw/zinc/27/70/22/1030277022.db2.gz RVBICYYZKMFNNN-SFHVURJKSA-N 1 3 343.515 3.586 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CNc3ccccc3C2)CC1 ZINC000650747825 1030566516 /nfs/dbraw/zinc/56/65/16/1030566516.db2.gz IKNRXCARIFFLGD-GCJKJVERSA-N 1 3 349.522 3.708 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000447934879 1030611773 /nfs/dbraw/zinc/61/17/73/1030611773.db2.gz BTLOTOHCXSAVRS-JOCHJYFZSA-N 1 3 349.522 3.996 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](N[C@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681849 1030744836 /nfs/dbraw/zinc/74/48/36/1030744836.db2.gz JMWROZLYCJWGFP-IOMROCGXSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](N[C@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681849 1030744845 /nfs/dbraw/zinc/74/48/45/1030744845.db2.gz JMWROZLYCJWGFP-IOMROCGXSA-N 1 3 348.531 3.873 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000650757466 1030789796 /nfs/dbraw/zinc/78/97/96/1030789796.db2.gz XVCMEHAHQSWSKC-NRFANRHFSA-N 1 3 346.478 3.759 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172202 1030847040 /nfs/dbraw/zinc/84/70/40/1030847040.db2.gz HQHCUGDTPGGZJO-KDOFPFPSSA-N 1 3 329.513 3.891 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172202 1030847068 /nfs/dbraw/zinc/84/70/68/1030847068.db2.gz HQHCUGDTPGGZJO-KDOFPFPSSA-N 1 3 329.513 3.891 20 0 EHADHO CCc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272554 1030885115 /nfs/dbraw/zinc/88/51/15/1030885115.db2.gz AMXVIXCONXOAGV-SFTDATJTSA-N 1 3 335.495 3.598 20 0 EHADHO CCc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272554 1030885132 /nfs/dbraw/zinc/88/51/32/1030885132.db2.gz AMXVIXCONXOAGV-SFTDATJTSA-N 1 3 335.495 3.598 20 0 EHADHO COc1cncc(/C=C/CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000583931816 1031158557 /nfs/dbraw/zinc/15/85/57/1031158557.db2.gz GYKYIHFTIBYDPG-XBOJITRKSA-N 1 3 343.515 3.736 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(Br)c1 ZINC000666996791 1031448636 /nfs/dbraw/zinc/44/86/36/1031448636.db2.gz FYJZWZJHBXHTLB-CZUORRHYSA-N 1 3 337.305 3.817 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000537954594 1032041592 /nfs/dbraw/zinc/04/15/92/1032041592.db2.gz NUOHYGJONLDBTL-YFXJRYMSSA-N 1 3 349.522 3.673 20 0 EHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000044276731 1033483241 /nfs/dbraw/zinc/48/32/41/1033483241.db2.gz UQNHVUVRJZSIMB-UHFFFAOYSA-N 1 3 348.535 3.580 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4COC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000657970075 1033770708 /nfs/dbraw/zinc/77/07/08/1033770708.db2.gz ANIKYCIFMRIEGU-BQJUDKOJSA-N 1 3 340.511 3.588 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000669692021 1033847980 /nfs/dbraw/zinc/84/79/80/1033847980.db2.gz UVWPXKBXMZOMJN-OAQYLSRUSA-N 1 3 329.532 3.534 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145218 1033992987 /nfs/dbraw/zinc/99/29/87/1033992987.db2.gz QGFWEJCNVPHLAW-YWZLYKJASA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145218 1033993004 /nfs/dbraw/zinc/99/30/04/1033993004.db2.gz QGFWEJCNVPHLAW-YWZLYKJASA-N 1 3 344.886 3.757 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614781 1034154309 /nfs/dbraw/zinc/15/43/09/1034154309.db2.gz IMVYAKPIKFQJCQ-TZMCWYRMSA-N 1 3 330.394 3.732 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614781 1034154320 /nfs/dbraw/zinc/15/43/20/1034154320.db2.gz IMVYAKPIKFQJCQ-TZMCWYRMSA-N 1 3 330.394 3.732 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000340171779 1034367719 /nfs/dbraw/zinc/36/77/19/1034367719.db2.gz WLBYCIRFLCREJV-SLFFLAALSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000340171779 1034367726 /nfs/dbraw/zinc/36/77/26/1034367726.db2.gz WLBYCIRFLCREJV-SLFFLAALSA-N 1 3 343.540 3.776 20 0 EHADHO Cc1nc(F)ccc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278794051 1034861739 /nfs/dbraw/zinc/86/17/39/1034861739.db2.gz QTXGVNMCAREQDO-HNAYVOBHSA-N 1 3 327.447 3.529 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178035724 1035571671 /nfs/dbraw/zinc/57/16/71/1035571671.db2.gz VDRWWRJJYGMTRV-HLIPFELVSA-N 1 3 346.515 3.552 20 0 EHADHO Cc1c(Br)cccc1CN1CCC(C[NH+](C)C)CC1 ZINC000534870295 1035700612 /nfs/dbraw/zinc/70/06/12/1035700612.db2.gz UXXYDHWBISIQSM-UHFFFAOYSA-N 1 3 325.294 3.531 20 0 EHADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000541086973 1035969237 /nfs/dbraw/zinc/96/92/37/1035969237.db2.gz SSNOCGOZULMNOY-KRWDZBQOSA-N 1 3 339.568 3.514 20 0 EHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000588770578 1036015792 /nfs/dbraw/zinc/01/57/92/1036015792.db2.gz QIHQSHGPVWKSNF-IBGZPJMESA-N 1 3 346.519 3.524 20 0 EHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000588770578 1036015813 /nfs/dbraw/zinc/01/58/13/1036015813.db2.gz QIHQSHGPVWKSNF-IBGZPJMESA-N 1 3 346.519 3.524 20 0 EHADHO C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723310 1036264726 /nfs/dbraw/zinc/26/47/26/1036264726.db2.gz UBUGZQXTSMDJLF-OYNPSCLESA-N 1 3 328.500 3.540 20 0 EHADHO C[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723310 1036264741 /nfs/dbraw/zinc/26/47/41/1036264741.db2.gz UBUGZQXTSMDJLF-OYNPSCLESA-N 1 3 328.500 3.540 20 0 EHADHO C[NH+](C)CC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000539408648 1036730027 /nfs/dbraw/zinc/73/00/27/1036730027.db2.gz OKSFNMUNCVTJER-UHFFFAOYSA-N 1 3 335.923 3.714 20 0 EHADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1sccc1Br ZINC000227497625 1037350532 /nfs/dbraw/zinc/35/05/32/1037350532.db2.gz MTNKLQKMHNMFHB-NSHDSACASA-N 1 3 331.323 3.893 20 0 EHADHO Clc1cccc(-c2cnc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328382 1037469848 /nfs/dbraw/zinc/46/98/48/1037469848.db2.gz KNWQDQRNHBQNCF-HOTGVXAUSA-N 1 3 345.874 3.817 20 0 EHADHO CC[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505369 1037533198 /nfs/dbraw/zinc/53/31/98/1037533198.db2.gz HAEDRWSLPJXDFU-KBPBESRZSA-N 1 3 330.925 3.535 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532498857 1037544591 /nfs/dbraw/zinc/54/45/91/1037544591.db2.gz RYBYXILRSUPZNO-PZJWPPBQSA-N 1 3 332.532 3.838 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532498857 1037544609 /nfs/dbraw/zinc/54/46/09/1037544609.db2.gz RYBYXILRSUPZNO-PZJWPPBQSA-N 1 3 332.532 3.838 20 0 EHADHO Cc1ccc([C@H]2OCCC[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000532524822 1037551066 /nfs/dbraw/zinc/55/10/66/1037551066.db2.gz ZXQGANNOOKFKLD-NHCUHLMSSA-N 1 3 328.500 3.679 20 0 EHADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OCc1ccccc1 ZINC000491600115 1037578191 /nfs/dbraw/zinc/57/81/91/1037578191.db2.gz YVFBUCGTXOESMV-KRWDZBQOSA-N 1 3 342.483 3.562 20 0 EHADHO CC(C)CCN1CCC([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)CC1 ZINC000925273229 1037671179 /nfs/dbraw/zinc/67/11/79/1037671179.db2.gz XHNYXXOBVJOYFA-ICSRJNTNSA-N 1 3 332.532 3.641 20 0 EHADHO CC(C)[C@@H]1C[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653898 1037673423 /nfs/dbraw/zinc/67/34/23/1037673423.db2.gz BJWZLYHWPZOXEH-QMMLZNLJSA-N 1 3 330.516 3.962 20 0 EHADHO CC(C)[C@@H]1C[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653898 1037673433 /nfs/dbraw/zinc/67/34/33/1037673433.db2.gz BJWZLYHWPZOXEH-QMMLZNLJSA-N 1 3 330.516 3.962 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000540262722 1037752737 /nfs/dbraw/zinc/75/27/37/1037752737.db2.gz GYPJQUSUCGIXEC-LJQANCHMSA-N 1 3 337.939 3.654 20 0 EHADHO COc1cccc([C@H](C)[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000173209642 1037977994 /nfs/dbraw/zinc/97/79/94/1037977994.db2.gz IDNWHPDGAZTZFW-KSZLIROESA-N 1 3 346.515 3.577 20 0 EHADHO Cc1ccc(-c2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000261796590 1038061257 /nfs/dbraw/zinc/06/12/57/1038061257.db2.gz ZNBCYUSIRVVMOR-LJQANCHMSA-N 1 3 325.456 3.614 20 0 EHADHO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552251356 1039130220 /nfs/dbraw/zinc/13/02/20/1039130220.db2.gz SYUVJONSQSXROF-QHAWAJNXSA-N 1 3 344.543 3.675 20 0 EHADHO CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356160 1039207543 /nfs/dbraw/zinc/20/75/43/1039207543.db2.gz GCOMEFMZXNAPJT-OAQYLSRUSA-N 1 3 328.500 3.926 20 0 EHADHO CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356160 1039207557 /nfs/dbraw/zinc/20/75/57/1039207557.db2.gz GCOMEFMZXNAPJT-OAQYLSRUSA-N 1 3 328.500 3.926 20 0 EHADHO C[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)Cc1ccccc1 ZINC000668513885 1039247169 /nfs/dbraw/zinc/24/71/69/1039247169.db2.gz YYRDSNLUCISCJQ-IBGZPJMESA-N 1 3 337.511 3.762 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000480453808 1039558056 /nfs/dbraw/zinc/55/80/56/1039558056.db2.gz MHDYDTCSAQDNOJ-UHFFFAOYSA-N 1 3 349.522 3.996 20 0 EHADHO CO[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)CC(C)C ZINC000417369652 1039740018 /nfs/dbraw/zinc/74/00/18/1039740018.db2.gz PQGUPKKXNHTJBU-RXVVDRJESA-N 1 3 332.532 3.733 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667709013 1039764465 /nfs/dbraw/zinc/76/44/65/1039764465.db2.gz RADKRSDYXVMZRI-YJBOKZPZSA-N 1 3 327.497 3.745 20 0 EHADHO c1c2ccncc2sc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667709013 1039764486 /nfs/dbraw/zinc/76/44/86/1039764486.db2.gz RADKRSDYXVMZRI-YJBOKZPZSA-N 1 3 327.497 3.745 20 0 EHADHO CCCCc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000480769124 1039989278 /nfs/dbraw/zinc/98/92/78/1039989278.db2.gz LLYBIHGKOZTGOO-IBGZPJMESA-N 1 3 331.548 3.707 20 0 EHADHO CCn1cncc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000417918691 1040324266 /nfs/dbraw/zinc/32/42/66/1040324266.db2.gz XIGKCUDXPOEOJN-UHFFFAOYSA-N 1 3 346.906 3.558 20 0 EHADHO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000479519909 1040339557 /nfs/dbraw/zinc/33/95/57/1040339557.db2.gz XGUZZMYUDQEQAU-JSXRDJHFSA-N 1 3 344.543 3.674 20 0 EHADHO CC1CC[NH+](Cc2cccc(CN[C@H]3CO[C@@H](C4CC4)C3)c2)CC1 ZINC000667853838 1040574895 /nfs/dbraw/zinc/57/48/95/1040574895.db2.gz QIGMPXSBXWXHPB-NHCUHLMSSA-N 1 3 328.500 3.576 20 0 EHADHO c1ccc(CN2C[C@@H](C[NH2+]C3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000549881779 1040895193 /nfs/dbraw/zinc/89/51/93/1040895193.db2.gz AGZJSGWNEMZLHD-HXUWFJFHSA-N 1 3 342.527 3.838 20 0 EHADHO Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000893411546 1041901526 /nfs/dbraw/zinc/90/15/26/1041901526.db2.gz HDUFFTXRGZQEHF-WMZOPIPTSA-N 1 3 327.447 3.529 20 0 EHADHO Cc1cc(F)ncc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000893411544 1041901691 /nfs/dbraw/zinc/90/16/91/1041901691.db2.gz HDUFFTXRGZQEHF-FUHWJXTLSA-N 1 3 327.447 3.529 20 0 EHADHO C[C@@H](COCC1CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652287105 1042310009 /nfs/dbraw/zinc/31/00/09/1042310009.db2.gz NPLBCLPFGRCYTE-LRGNLBRXSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@@H](COCC1CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287105 1042310013 /nfs/dbraw/zinc/31/00/13/1042310013.db2.gz NPLBCLPFGRCYTE-LRGNLBRXSA-N 1 3 328.500 3.587 20 0 EHADHO CCc1nc(C)c([C@@H](C)N(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662261975 1042640122 /nfs/dbraw/zinc/64/01/22/1042640122.db2.gz CPTQYPIRIOSNSG-CQSZACIVSA-N 1 3 329.513 3.853 20 0 EHADHO c1c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)onc1-c1ccccc1 ZINC000662290453 1042662484 /nfs/dbraw/zinc/66/24/84/1042662484.db2.gz DATSJLLUFRALKM-SFHVURJKSA-N 1 3 325.456 3.553 20 0 EHADHO CCc1ccc(-c2noc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1 ZINC000662312384 1042681697 /nfs/dbraw/zinc/68/16/97/1042681697.db2.gz BNRBRLBZZYLXPK-CRAIPNDOSA-N 1 3 342.487 3.638 20 0 EHADHO O=C(C[C@H]1NCc2ccccc21)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662381860 1042698014 /nfs/dbraw/zinc/69/80/14/1042698014.db2.gz IAPZFQIDCJZBSM-OAQYLSRUSA-N 1 3 349.478 3.846 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663465281 1042884635 /nfs/dbraw/zinc/88/46/35/1042884635.db2.gz JAIQNPBTCSSREH-LVOPCWDJSA-N 1 3 342.527 3.899 20 0 EHADHO C[C@H]1CN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432343760 1042978161 /nfs/dbraw/zinc/97/81/61/1042978161.db2.gz ADIVVCXSEQYYBU-ZDUSSCGKSA-N 1 3 331.287 3.584 20 0 EHADHO CCC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000432421557 1043156473 /nfs/dbraw/zinc/15/64/73/1043156473.db2.gz PTALCWNTEXFCHP-XLIONFOSSA-N 1 3 334.504 3.627 20 0 EHADHO CCC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000432421557 1043156480 /nfs/dbraw/zinc/15/64/80/1043156480.db2.gz PTALCWNTEXFCHP-XLIONFOSSA-N 1 3 334.504 3.627 20 0 EHADHO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000310513339 1043620745 /nfs/dbraw/zinc/62/07/45/1043620745.db2.gz KMERIUGAJZLVRI-UXHICEINSA-N 1 3 330.516 3.836 20 0 EHADHO c1ccc(C[N@H+]2CC[C@H](CNCc3cccc4cccnc43)C2)cc1 ZINC000336792831 1126810235 /nfs/dbraw/zinc/81/02/35/1126810235.db2.gz UIIYIJOFMKELMV-LJQANCHMSA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@H](CNCc3cccc4cccnc43)C2)cc1 ZINC000336792831 1126810239 /nfs/dbraw/zinc/81/02/39/1126810239.db2.gz UIIYIJOFMKELMV-LJQANCHMSA-N 1 3 331.463 3.847 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528600 1126976593 /nfs/dbraw/zinc/97/65/93/1126976593.db2.gz VLRFSHYLXTZGJB-IEBWSBKVSA-N 1 3 328.500 3.543 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528600 1126976594 /nfs/dbraw/zinc/97/65/94/1126976594.db2.gz VLRFSHYLXTZGJB-IEBWSBKVSA-N 1 3 328.500 3.543 20 0 EHADHO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000623896178 1127208853 /nfs/dbraw/zinc/20/88/53/1127208853.db2.gz LDRSCLXTBODUAP-NQIIRXRSSA-N 1 3 330.516 3.845 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624120814 1127255509 /nfs/dbraw/zinc/25/55/09/1127255509.db2.gz HLNOQDMQTSHRHB-KGLIPLIRSA-N 1 3 330.394 3.968 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000182487736 1127332710 /nfs/dbraw/zinc/33/27/10/1127332710.db2.gz QPHFRNIGJBFHNV-OAQYLSRUSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000184498895 1127406698 /nfs/dbraw/zinc/40/66/98/1127406698.db2.gz ZBMSTGRKQWSCNH-ZWKOTPCHSA-N 1 3 326.488 3.787 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCc3cc(C)ccc32)[C@H](C)C1 ZINC000765428685 1127612132 /nfs/dbraw/zinc/61/21/32/1127612132.db2.gz UJVLCKWTASMVAR-QMMLZNLJSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3cc(C)ccc32)[C@H](C)C1 ZINC000765428685 1127612135 /nfs/dbraw/zinc/61/21/35/1127612135.db2.gz UJVLCKWTASMVAR-QMMLZNLJSA-N 1 3 330.516 3.709 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000765498119 1127622388 /nfs/dbraw/zinc/62/23/88/1127622388.db2.gz AEHQTSJYZJJVDU-INIZCTEOSA-N 1 3 325.456 3.698 20 0 EHADHO COc1ccc([C@@H]2C[C@@H](N3CCC([NH3+])(CC4CC4)CC3)CCO2)cc1 ZINC001168616473 1128437893 /nfs/dbraw/zinc/43/78/93/1128437893.db2.gz NIJBGENIQVNYBQ-ICSRJNTNSA-N 1 3 344.499 3.509 20 0 EHADHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000623657810 1128452653 /nfs/dbraw/zinc/45/26/53/1128452653.db2.gz ZNCSPPPMGWWNNA-KRWDZBQOSA-N 1 3 349.950 3.626 20 0 EHADHO CC(C)C[C@H]([NH2+]C[C@H](O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC001168622257 1128474980 /nfs/dbraw/zinc/47/49/80/1128474980.db2.gz IPAOJTUVFQBXNE-ROUUACIJSA-N 1 3 326.912 3.718 20 0 EHADHO CC(C)C[C@H]([NH2+]C[C@@H](O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC001168622255 1128475059 /nfs/dbraw/zinc/47/50/59/1128475059.db2.gz IPAOJTUVFQBXNE-MSOLQXFVSA-N 1 3 326.912 3.718 20 0 EHADHO Cc1nn(C)c(CNCCCCCCC[NH+]2CCCC2)c1Cl ZINC000921686961 1128520663 /nfs/dbraw/zinc/52/06/63/1128520663.db2.gz SIQREESMGYGZSM-UHFFFAOYSA-N 1 3 326.916 3.518 20 0 EHADHO Cc1ccc(C)c(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110427329 1128785826 /nfs/dbraw/zinc/78/58/26/1128785826.db2.gz YEZVJSXWXITRIC-KDURUIRLSA-N 1 3 330.516 3.625 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116223 1120664499 /nfs/dbraw/zinc/66/44/99/1120664499.db2.gz MHAPPKNREAZMQB-MAZHCROVSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000224116223 1120664502 /nfs/dbraw/zinc/66/45/02/1120664502.db2.gz MHAPPKNREAZMQB-MAZHCROVSA-N 1 3 325.294 3.973 20 0 EHADHO C[C@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001168467131 1120693098 /nfs/dbraw/zinc/69/30/98/1120693098.db2.gz GFCYGSDXMGFWMP-QGZVFWFLSA-N 1 3 341.474 3.654 20 0 EHADHO CCSc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192787740 1120748632 /nfs/dbraw/zinc/74/86/32/1120748632.db2.gz DIJUMCWGLUPDLI-GOSISDBHSA-N 1 3 349.588 3.865 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H]1CCCN(C2CCC2)C1 ZINC000494736371 1120753111 /nfs/dbraw/zinc/75/31/11/1120753111.db2.gz CMIFCOXGOIQYED-YTQUADARSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@@H]1CCc2ccccc2OC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000494736371 1120753116 /nfs/dbraw/zinc/75/31/16/1120753116.db2.gz CMIFCOXGOIQYED-YTQUADARSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@@H]1CCc2ccccc2OC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736371 1120753122 /nfs/dbraw/zinc/75/31/22/1120753122.db2.gz CMIFCOXGOIQYED-YTQUADARSA-N 1 3 328.500 3.623 20 0 EHADHO c1nc([C@H](NCCCCC[NH+]2CCCCC2)C2CCCCC2)n[nH]1 ZINC000495066527 1120942935 /nfs/dbraw/zinc/94/29/35/1120942935.db2.gz HCIQSHCSHNCATQ-GOSISDBHSA-N 1 3 333.524 3.672 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398022637 1121960906 /nfs/dbraw/zinc/96/09/06/1121960906.db2.gz AUWCZZPQLCMDEH-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398022637 1121960913 /nfs/dbraw/zinc/96/09/13/1121960913.db2.gz AUWCZZPQLCMDEH-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542594056 1122233874 /nfs/dbraw/zinc/23/38/74/1122233874.db2.gz DWQQPICQDTXQLO-KRWDZBQOSA-N 1 3 349.950 3.751 20 0 EHADHO CCc1ccc(CNCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)o1 ZINC000130346112 1122940332 /nfs/dbraw/zinc/94/03/32/1122940332.db2.gz KPDACISRXUWCII-IRXDYDNUSA-N 1 3 342.483 3.741 20 0 EHADHO CCc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)o1 ZINC000130346112 1122940336 /nfs/dbraw/zinc/94/03/36/1122940336.db2.gz KPDACISRXUWCII-IRXDYDNUSA-N 1 3 342.483 3.741 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245775928 1123949477 /nfs/dbraw/zinc/94/94/77/1123949477.db2.gz YAZKPAPVRGQGPF-YUMYIRISSA-N 1 3 341.543 3.646 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@@H](C)C1 ZINC000246845229 1124557671 /nfs/dbraw/zinc/55/76/71/1124557671.db2.gz BDBBQUOYTUTNLH-LPHOPBHVSA-N 1 3 325.456 3.694 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000246913333 1124565422 /nfs/dbraw/zinc/56/54/22/1124565422.db2.gz FYJYATXWQPAQSA-MGPQQGTHSA-N 1 3 344.421 3.644 20 0 EHADHO C[C@H](CCc1cccc(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247098913 1124586888 /nfs/dbraw/zinc/58/68/88/1124586888.db2.gz SFBSUULTTTZEGR-KZNAEPCWSA-N 1 3 336.495 3.626 20 0 EHADHO CCc1ccc([C@@H]([NH2+]CCCN2CCN(CC)CC2)C(C)C)cc1 ZINC000091285056 1124973088 /nfs/dbraw/zinc/97/30/88/1124973088.db2.gz WCLITBFTCPGKAB-NRFANRHFSA-N 1 3 331.548 3.563 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCOC(C)C)cc1CN1CCCCC1 ZINC000186638949 1129727197 /nfs/dbraw/zinc/72/71/97/1129727197.db2.gz ICDHPRSUCQKTGH-QGZVFWFLSA-N 1 3 334.504 3.757 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000658041960 1130082609 /nfs/dbraw/zinc/08/26/09/1130082609.db2.gz MWIWOZFXISKKGG-LZQZEXGQSA-N 1 3 335.451 3.824 20 0 EHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246100957 1130343589 /nfs/dbraw/zinc/34/35/89/1130343589.db2.gz BTUDGAVORZOMIG-KBPBESRZSA-N 1 3 330.394 3.920 20 0 EHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246100957 1130343596 /nfs/dbraw/zinc/34/35/96/1130343596.db2.gz BTUDGAVORZOMIG-KBPBESRZSA-N 1 3 330.394 3.920 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000675752039 1130465089 /nfs/dbraw/zinc/46/50/89/1130465089.db2.gz IQYRXUXTEZZRBY-XHSDSOJGSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000675752039 1130465094 /nfs/dbraw/zinc/46/50/94/1130465094.db2.gz IQYRXUXTEZZRBY-XHSDSOJGSA-N 1 3 349.906 3.582 20 0 EHADHO Cn1ccnc1C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000675920782 1130502841 /nfs/dbraw/zinc/50/28/41/1130502841.db2.gz KZKUBUPGVVSARC-LJQANCHMSA-N 1 3 340.515 3.556 20 0 EHADHO CC1(C)CCc2cc(C[NH2+]C3CCN(C4CCC4)CC3)ccc2O1 ZINC000731679136 1130832222 /nfs/dbraw/zinc/83/22/22/1130832222.db2.gz XSZVICNSURRYMT-UHFFFAOYSA-N 1 3 328.500 3.897 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883328 1131552496 /nfs/dbraw/zinc/55/24/96/1131552496.db2.gz NLWKZWQYTAUFQQ-WMZOPIPTSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883328 1131552502 /nfs/dbraw/zinc/55/25/02/1131552502.db2.gz NLWKZWQYTAUFQQ-WMZOPIPTSA-N 1 3 342.483 3.714 20 0 EHADHO COC1CC[NH+](C2CCN([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172567034 1131775584 /nfs/dbraw/zinc/77/55/84/1131775584.db2.gz BMCRMIXHUYHHGT-CTNGQTDRSA-N 1 3 342.527 3.898 20 0 EHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001172786328 1131846095 /nfs/dbraw/zinc/84/60/95/1131846095.db2.gz QTNVLNSUBFLWBI-QRVBRYPASA-N 1 3 348.531 3.519 20 0 EHADHO Cc1ccc2c(c1)C[C@@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)CC2 ZINC001172827919 1131854461 /nfs/dbraw/zinc/85/44/61/1131854461.db2.gz GFQHMXMJOCJYBS-NRFANRHFSA-N 1 3 338.470 3.941 20 0 EHADHO CO[C@H]1CCC[C@@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)C1 ZINC001172933208 1131910645 /nfs/dbraw/zinc/91/06/45/1131910645.db2.gz XIUHMRJJARVBTB-MSOLQXFVSA-N 1 3 339.483 3.623 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206185486 1131937043 /nfs/dbraw/zinc/93/70/43/1131937043.db2.gz NYYYWCJCCISNBK-VQTJNVASSA-N 1 3 342.458 3.835 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206185486 1131937050 /nfs/dbraw/zinc/93/70/50/1131937050.db2.gz NYYYWCJCCISNBK-VQTJNVASSA-N 1 3 342.458 3.835 20 0 EHADHO CCCOC1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001173094344 1131951615 /nfs/dbraw/zinc/95/16/15/1131951615.db2.gz VQDGYSJPVIJYBE-UHFFFAOYSA-N 1 3 345.531 3.621 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC001173112067 1131970608 /nfs/dbraw/zinc/97/06/08/1131970608.db2.gz PMXVMBAIRBMAKD-UHFFFAOYSA-N 1 3 333.495 3.601 20 0 EHADHO COC(=O)CCCC[C@H](C)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001173456097 1132082745 /nfs/dbraw/zinc/08/27/45/1132082745.db2.gz ZGLKQKGFEMFQIC-SFHVURJKSA-N 1 3 346.515 3.705 20 0 EHADHO COC(=O)CCCC[C@H](C)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001173456097 1132082752 /nfs/dbraw/zinc/08/27/52/1132082752.db2.gz ZGLKQKGFEMFQIC-SFHVURJKSA-N 1 3 346.515 3.705 20 0 EHADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC001173651961 1132122223 /nfs/dbraw/zinc/12/22/23/1132122223.db2.gz POTDGVQIGDXNEM-GGPKGHCWSA-N 1 3 348.531 3.519 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC001169096458 1132653734 /nfs/dbraw/zinc/65/37/34/1132653734.db2.gz WZHAOTDLFYBFHZ-BCDXTJNWSA-N 1 3 345.487 3.748 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122616 1132663730 /nfs/dbraw/zinc/66/37/30/1132663730.db2.gz BTZWNWBWGDQJRM-HGTKMLMNSA-N 1 3 339.405 3.766 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3noc4ccc(F)cc43)CC1)C2 ZINC001169147105 1132676780 /nfs/dbraw/zinc/67/67/80/1132676780.db2.gz SROJFMOCAFZXQG-FVQHAEBGSA-N 1 3 343.446 3.772 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3noc4ccc(F)cc43)CC1)C2 ZINC001169147105 1132676785 /nfs/dbraw/zinc/67/67/85/1132676785.db2.gz SROJFMOCAFZXQG-FVQHAEBGSA-N 1 3 343.446 3.772 20 0 EHADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001177267761 1133050344 /nfs/dbraw/zinc/05/03/44/1133050344.db2.gz NRRMODNJOYRFKI-SIKLNZKXSA-N 1 3 341.543 3.516 20 0 EHADHO CC1(C)CC([NH2+]C2CCN(C3CCCCC3)CC2)CC(C)(C)N1O ZINC001169982056 1133093387 /nfs/dbraw/zinc/09/33/87/1133093387.db2.gz GYDJQXUOHYKRBB-UHFFFAOYSA-N 1 3 337.552 3.784 20 0 EHADHO COc1ccc2c(NCCCCN3C[C@H](C)O[C@@H](C)C3)cc[nH+]c2c1 ZINC000768536121 1133152401 /nfs/dbraw/zinc/15/24/01/1133152401.db2.gz SJMGGMRJFJRYQK-HOTGVXAUSA-N 1 3 343.471 3.545 20 0 EHADHO CCCCN(CC)[C@@H](C(=O)NCCCCC[NH+](C)C)c1ccccc1 ZINC001182234458 1133595311 /nfs/dbraw/zinc/59/53/11/1133595311.db2.gz JXNNKSTZBSUAIO-HXUWFJFHSA-N 1 3 347.547 3.698 20 0 EHADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134821 1134410395 /nfs/dbraw/zinc/41/03/95/1134410395.db2.gz DUSQKDHKQYTTAA-XYEHWOGUSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134821 1134410401 /nfs/dbraw/zinc/41/04/01/1134410401.db2.gz DUSQKDHKQYTTAA-XYEHWOGUSA-N 1 3 346.559 3.636 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)ccc1OC ZINC000775391195 1134704400 /nfs/dbraw/zinc/70/44/00/1134704400.db2.gz CDOLOJFCZLFLMB-JZXOWHBKSA-N 1 3 334.504 3.613 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCC[C@H](C)CO)cc1CN1CCCCC1 ZINC000775421789 1134766003 /nfs/dbraw/zinc/76/60/03/1134766003.db2.gz JKMQDKNDLUDEIC-ROUUACIJSA-N 1 3 348.531 3.740 20 0 EHADHO CCc1sc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205638010 1135153133 /nfs/dbraw/zinc/15/31/33/1135153133.db2.gz KILBICYGZLQWRW-NWDGAFQWSA-N 1 3 345.350 3.880 20 0 EHADHO COCc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)ccc1OC ZINC000121589651 1136037321 /nfs/dbraw/zinc/03/73/21/1136037321.db2.gz VIWVFFWAQBPJGA-SJORKVTESA-N 1 3 334.504 3.614 20 0 EHADHO CC(C)c1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000850361757 1136241553 /nfs/dbraw/zinc/24/15/53/1136241553.db2.gz CWKYTOHWLHWXRL-UHFFFAOYSA-N 1 3 344.528 3.663 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)ccc1OC ZINC000850525449 1136278114 /nfs/dbraw/zinc/27/81/14/1136278114.db2.gz NMVAFOHTOKEAII-APWZRJJASA-N 1 3 346.515 3.899 20 0 EHADHO Cc1nc2ccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)cc2[nH]1 ZINC001170753021 1136476496 /nfs/dbraw/zinc/47/64/96/1136476496.db2.gz XYARXPUWHFXBFV-IBGZPJMESA-N 1 3 334.467 3.990 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc2ccccc21 ZINC000854221189 1136599142 /nfs/dbraw/zinc/59/91/42/1136599142.db2.gz IKBHGTIURDFXSR-DXBBTUNJSA-N 1 3 338.495 3.774 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000815561120 1136610639 /nfs/dbraw/zinc/61/06/39/1136610639.db2.gz YXUGVADILUZIFX-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)(C)O ZINC000815652067 1136626766 /nfs/dbraw/zinc/62/67/66/1136626766.db2.gz NTBOQGIOIDNCMJ-OXQOHEQNSA-N 1 3 348.531 3.881 20 0 EHADHO N[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2F)c2ccccc21 ZINC000817901675 1136844864 /nfs/dbraw/zinc/84/48/64/1136844864.db2.gz DWBNKURUFJAZBO-SJORKVTESA-N 1 3 349.247 3.865 20 0 EHADHO CC(C)COc1ccc(-c2ccc(N[C@H](N)CCC[NH3+])cc2)cc1 ZINC001170902504 1136877423 /nfs/dbraw/zinc/87/74/23/1136877423.db2.gz DXJRSXIZQDEWFY-FQEVSTJZSA-N 1 3 327.472 3.824 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@H](O)c2ccccc2)C1 ZINC000818959786 1136895651 /nfs/dbraw/zinc/89/56/51/1136895651.db2.gz SZXCBPQBRJBWFV-AVRDEDQJSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@H](O)c2ccccc2)C1 ZINC000818959786 1136895655 /nfs/dbraw/zinc/89/56/55/1136895655.db2.gz SZXCBPQBRJBWFV-AVRDEDQJSA-N 1 3 338.495 3.742 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000818982448 1136896388 /nfs/dbraw/zinc/89/63/88/1136896388.db2.gz MLMAQIXZABZNKC-UNMCSNQZSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982448 1136896393 /nfs/dbraw/zinc/89/63/93/1136896393.db2.gz MLMAQIXZABZNKC-UNMCSNQZSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819283025 1136927760 /nfs/dbraw/zinc/92/77/60/1136927760.db2.gz FRDWUOXPCSBILS-FCHUYYIVSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283025 1136927763 /nfs/dbraw/zinc/92/77/63/1136927763.db2.gz FRDWUOXPCSBILS-FCHUYYIVSA-N 1 3 338.495 3.530 20 0 EHADHO OCc1cc(NCC2CCN(Cc3ccccc3Cl)CC2)cc[nH+]1 ZINC000858399422 1136964572 /nfs/dbraw/zinc/96/45/72/1136964572.db2.gz DQDBIMZEQVQBHK-UHFFFAOYSA-N 1 3 345.874 3.551 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ccnc(CN)c3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC001171028475 1137111809 /nfs/dbraw/zinc/11/18/09/1137111809.db2.gz GJSRTXSGGGVXAA-HVFKHUKCSA-N 1 3 344.547 3.911 20 0 EHADHO Nc1ccnc2cc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)ccc12 ZINC001171097877 1137194627 /nfs/dbraw/zinc/19/46/27/1137194627.db2.gz DRZUBXLIZLEGIN-CYBMUJFWSA-N 1 3 328.419 3.577 20 0 EHADHO C[NH+](C)C1(C)CCC(NCc2csc(-c3ccccn3)n2)CC1 ZINC000865765930 1137310052 /nfs/dbraw/zinc/31/00/52/1137310052.db2.gz SNCOUBAJDBMCLU-UHFFFAOYSA-N 1 3 330.501 3.558 20 0 EHADHO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866563558 1137364974 /nfs/dbraw/zinc/36/49/74/1137364974.db2.gz NHXXIXAOGWLPPH-NOXFTYBFSA-N 1 3 349.522 3.673 20 0 EHADHO COC1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716637272 1137487946 /nfs/dbraw/zinc/48/79/46/1137487946.db2.gz LZJMEGVDFFYMON-LTAWYNSDSA-N 1 3 328.500 3.587 20 0 EHADHO Cc1cccc2c1CC[C@@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)C2 ZINC001171561395 1137498090 /nfs/dbraw/zinc/49/80/90/1137498090.db2.gz YUFNTZVKONRWIV-OAQYLSRUSA-N 1 3 349.522 3.749 20 0 EHADHO COc1cccc(C(C)(C)CNC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171627508 1137501590 /nfs/dbraw/zinc/50/15/90/1137501590.db2.gz SWJIQXAWOIISFC-UHFFFAOYSA-N 1 3 333.520 3.609 20 0 EHADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001171667043 1137502876 /nfs/dbraw/zinc/50/28/76/1137502876.db2.gz SWTUYVUOGYKWFL-JBACZVJFSA-N 1 3 330.516 3.549 20 0 EHADHO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171973379 1137523914 /nfs/dbraw/zinc/52/39/14/1137523914.db2.gz XZRWQIUSBIKGPR-ACRUOGEOSA-N 1 3 343.559 3.892 20 0 EHADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)nc2)CCN1Cc1ccccc1 ZINC001171975576 1137524649 /nfs/dbraw/zinc/52/46/49/1137524649.db2.gz MDKKDVLLELWYCI-SFHVURJKSA-N 1 3 327.447 3.754 20 0 EHADHO CC1(C)C[C@@H]([NH2+]C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC001171981250 1137526131 /nfs/dbraw/zinc/52/61/31/1137526131.db2.gz BTYYDESVNQWANK-FQEVSTJZSA-N 1 3 341.543 3.646 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104913 1137536658 /nfs/dbraw/zinc/53/66/58/1137536658.db2.gz FARJPUUTWGWHFR-NYUBLWNDSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104913 1137536660 /nfs/dbraw/zinc/53/66/60/1137536660.db2.gz FARJPUUTWGWHFR-NYUBLWNDSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109724 1137536937 /nfs/dbraw/zinc/53/69/37/1137536937.db2.gz KJGPGQIDBXSSKU-NFFDBFGFSA-N 1 3 343.298 3.632 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109724 1137536939 /nfs/dbraw/zinc/53/69/39/1137536939.db2.gz KJGPGQIDBXSSKU-NFFDBFGFSA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109724 1137536941 /nfs/dbraw/zinc/53/69/41/1137536941.db2.gz KJGPGQIDBXSSKU-NFFDBFGFSA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111475 1137537648 /nfs/dbraw/zinc/53/76/48/1137537648.db2.gz RPSXDRTVMCGVFZ-NXOAAHMSSA-N 1 3 343.298 3.632 20 0 EHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc(C(F)(F)F)nc1 ZINC000872155270 1137573938 /nfs/dbraw/zinc/57/39/38/1137573938.db2.gz PUKJHSQTLDHWKI-GFCCVEGCSA-N 1 3 335.373 3.597 20 0 EHADHO c1c(CN2CCC(OCC3CCCCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873205980 1137593928 /nfs/dbraw/zinc/59/39/28/1137593928.db2.gz URXFOPSPWVLPDO-UHFFFAOYSA-N 1 3 348.556 3.955 20 0 EHADHO COc1ccc([C@@H](NC[C@H]2C[C@H]([NH3+])C2)c2ccccc2Cl)cc1 ZINC000873255470 1137595412 /nfs/dbraw/zinc/59/54/12/1137595412.db2.gz FXERGUPPMNODDU-ZXYWRSMDSA-N 1 3 330.859 3.765 20 0 EHADHO CC[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000873294073 1137596796 /nfs/dbraw/zinc/59/67/96/1137596796.db2.gz SLNMZSZNOPLHPB-CJNGLKHVSA-N 1 3 340.870 3.679 20 0 EHADHO C=C/C=C/CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018729 1137735334 /nfs/dbraw/zinc/73/53/34/1137735334.db2.gz IAGSTNXEBDSWSU-ROUKRRSUSA-N 1 3 329.488 3.507 20 0 EHADHO C=C/C=C/CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018729 1137735335 /nfs/dbraw/zinc/73/53/35/1137735335.db2.gz IAGSTNXEBDSWSU-ROUKRRSUSA-N 1 3 329.488 3.507 20 0 EHADHO CC(C)CN(Cc1nc(-c2ccccc2)no1)CC1CC[NH+](C)CC1 ZINC000879702700 1137755888 /nfs/dbraw/zinc/75/58/88/1137755888.db2.gz VRVSEHFQNZNNIC-UHFFFAOYSA-N 1 3 342.487 3.536 20 0 EHADHO CC1(C)C[C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000331713874 1137918062 /nfs/dbraw/zinc/91/80/62/1137918062.db2.gz MJBGEOGELDMDEM-MAUKXSAKSA-N 1 3 329.488 3.636 20 0 EHADHO CC1(C)C[C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000331713874 1137918063 /nfs/dbraw/zinc/91/80/63/1137918063.db2.gz MJBGEOGELDMDEM-MAUKXSAKSA-N 1 3 329.488 3.636 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2noc3cc(F)ccc32)CC1 ZINC000886647753 1138106370 /nfs/dbraw/zinc/10/63/70/1138106370.db2.gz AYAIOSFJIJWWCD-UHFFFAOYSA-N 1 3 331.435 3.854 20 0 EHADHO CC(C)n1ncc2cc(CN3CCC(CCC[NH+](C)C)CC3)cnc21 ZINC000123423141 1138270080 /nfs/dbraw/zinc/27/00/80/1138270080.db2.gz RSQOREUMBCNWIT-UHFFFAOYSA-N 1 3 343.519 3.566 20 0 EHADHO CC[NH2+]Cc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000123917071 1138276007 /nfs/dbraw/zinc/27/60/07/1138276007.db2.gz HNALZYFNDCGYHQ-UHFFFAOYSA-N 1 3 337.467 3.644 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838478 1138605906 /nfs/dbraw/zinc/60/59/06/1138605906.db2.gz DBJFYCBOSOEZAB-OLZOCXBDSA-N 1 3 328.909 3.553 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000179697437 1139776244 /nfs/dbraw/zinc/77/62/44/1139776244.db2.gz KSVSZYPVJFFTCR-PXNSSMCTSA-N 1 3 339.483 3.796 20 0 EHADHO Cc1ccccc1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191455954 1140465496 /nfs/dbraw/zinc/46/54/96/1140465496.db2.gz DILIPCUHPQUMCS-OAQYLSRUSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191455954 1140465499 /nfs/dbraw/zinc/46/54/99/1140465499.db2.gz DILIPCUHPQUMCS-OAQYLSRUSA-N 1 3 329.532 3.548 20 0 EHADHO C[C@H](NCc1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268819185 1140999716 /nfs/dbraw/zinc/99/97/16/1140999716.db2.gz RGAXVUPCZCCUDK-AWEZNQCLSA-N 1 3 334.410 3.756 20 0 EHADHO Cc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000269038668 1141052157 /nfs/dbraw/zinc/05/21/57/1141052157.db2.gz FYCSPRPRLSYKJO-INIZCTEOSA-N 1 3 344.524 3.864 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)s1 ZINC000269038668 1141052164 /nfs/dbraw/zinc/05/21/64/1141052164.db2.gz FYCSPRPRLSYKJO-INIZCTEOSA-N 1 3 344.524 3.864 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432393 1141365368 /nfs/dbraw/zinc/36/53/68/1141365368.db2.gz CFCKWWABXOVORF-MBNYWOFBSA-N 1 3 337.920 3.811 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432393 1141365376 /nfs/dbraw/zinc/36/53/76/1141365376.db2.gz CFCKWWABXOVORF-MBNYWOFBSA-N 1 3 337.920 3.811 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Br)cc1 ZINC000049856230 214033634 /nfs/dbraw/zinc/03/36/34/214033634.db2.gz GWGSOGFGHKLCLT-CJNGLKHVSA-N 1 3 325.294 3.974 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(Br)cc1 ZINC000037643714 213161711 /nfs/dbraw/zinc/16/17/11/213161711.db2.gz VHFKCYBQLDTKLS-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643714 213161714 /nfs/dbraw/zinc/16/17/14/213161714.db2.gz VHFKCYBQLDTKLS-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643714 213161716 /nfs/dbraw/zinc/16/17/16/213161716.db2.gz VHFKCYBQLDTKLS-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO Cc1c(Br)ccc(CN2CCC3(CC[C@H]3[NH3+])CC2)c1C ZINC001237360406 1125458146 /nfs/dbraw/zinc/45/81/46/1125458146.db2.gz YVJTWEUXPUFVIG-MRXNPFEDSA-N 1 3 337.305 3.769 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc(C2CC2)c1 ZINC000904472151 1032068214 /nfs/dbraw/zinc/06/82/14/1032068214.db2.gz LXJMSTIZOXEGKR-IFMALSPDSA-N 1 3 334.463 3.910 20 0 EHADHO C[C@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153840915 1014161830 /nfs/dbraw/zinc/16/18/30/1014161830.db2.gz ZOQBYCUBSGGCOU-IRXDYDNUSA-N 1 3 326.488 3.734 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274862587 1015515813 /nfs/dbraw/zinc/51/58/13/1015515813.db2.gz DCFJNZVUUNVZMQ-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274862587 1015515822 /nfs/dbraw/zinc/51/58/22/1015515822.db2.gz DCFJNZVUUNVZMQ-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000274862587 1015515831 /nfs/dbraw/zinc/51/58/31/1015515831.db2.gz DCFJNZVUUNVZMQ-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659286283 1016441737 /nfs/dbraw/zinc/44/17/37/1016441737.db2.gz XACYISYKNUDMDU-INIZCTEOSA-N 1 3 341.499 3.661 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659286283 1016441743 /nfs/dbraw/zinc/44/17/43/1016441743.db2.gz XACYISYKNUDMDU-INIZCTEOSA-N 1 3 341.499 3.661 20 0 EHADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000340335283 1016960252 /nfs/dbraw/zinc/96/02/52/1016960252.db2.gz ZEGGBGUWBHVDDX-IBGZPJMESA-N 1 3 331.504 3.506 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657838856 1032180830 /nfs/dbraw/zinc/18/08/30/1032180830.db2.gz ZOOMGBKQGSWUSF-FXAWDEMLSA-N 1 3 328.500 3.862 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657838856 1032180840 /nfs/dbraw/zinc/18/08/40/1032180840.db2.gz ZOOMGBKQGSWUSF-FXAWDEMLSA-N 1 3 328.500 3.862 20 0 EHADHO Cc1ncc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)s1 ZINC000449131875 1032225885 /nfs/dbraw/zinc/22/58/85/1032225885.db2.gz QAXJJTXYKHSJIO-OAHLLOKOSA-N 1 3 329.513 3.637 20 0 EHADHO CCCN(C)[C@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459546531 1032263699 /nfs/dbraw/zinc/26/36/99/1032263699.db2.gz SVXVKBXMJQKUAB-HXUWFJFHSA-N 1 3 349.950 3.939 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000449342127 1032457462 /nfs/dbraw/zinc/45/74/62/1032457462.db2.gz ZEOHGTNERLDNEG-IAGOWNOFSA-N 1 3 339.483 3.533 20 0 EHADHO COc1cc2ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc2cc1OC ZINC000657859585 1032511182 /nfs/dbraw/zinc/51/11/82/1032511182.db2.gz WGLDTKOXKSOMLE-HUUCEWRRSA-N 1 3 330.472 3.848 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000090522900 1032582538 /nfs/dbraw/zinc/58/25/38/1032582538.db2.gz LMMGGGVQONCNHJ-KYNGSXCRSA-N 1 3 336.907 3.759 20 0 EHADHO CC(C)[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000091287588 1032680530 /nfs/dbraw/zinc/68/05/30/1032680530.db2.gz DALLBMUVVYFWLZ-HXUWFJFHSA-N 1 3 327.472 3.509 20 0 EHADHO Cc1ccc([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000091343541 1032686378 /nfs/dbraw/zinc/68/63/78/1032686378.db2.gz ZMVLQZDJJIWJJM-LAUBAEHRSA-N 1 3 328.500 3.537 20 0 EHADHO COc1cc(CN[C@H](CCC[NH3+])c2ccccc2)cc(Cl)c1OC ZINC000415044233 1017452517 /nfs/dbraw/zinc/45/25/17/1017452517.db2.gz BMUQEEDSVWYADH-QGZVFWFLSA-N 1 3 348.874 3.927 20 0 EHADHO c1cnn(Cc2ccc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)c1 ZINC000415120200 1017581213 /nfs/dbraw/zinc/58/12/13/1017581213.db2.gz KXOYJSUNPIVAKZ-FCHUYYIVSA-N 1 3 346.478 3.514 20 0 EHADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000655804890 1017643384 /nfs/dbraw/zinc/64/33/84/1017643384.db2.gz FFBWXNDDKHHUKQ-FYINFDKHSA-N 1 3 335.451 3.847 20 0 EHADHO CCc1ccc(C[N@H+](CCCN2CCN(C(C)C)CC2)C2CC2)cc1 ZINC000472762450 1017770648 /nfs/dbraw/zinc/77/06/48/1017770648.db2.gz CFSDODGKXIQIIT-UHFFFAOYSA-N 1 3 343.559 3.630 20 0 EHADHO CCc1ccc(C[N@@H+](CCCN2CCN(C(C)C)CC2)C2CC2)cc1 ZINC000472762450 1017770662 /nfs/dbraw/zinc/77/06/62/1017770662.db2.gz CFSDODGKXIQIIT-UHFFFAOYSA-N 1 3 343.559 3.630 20 0 EHADHO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123277619 1018235076 /nfs/dbraw/zinc/23/50/76/1018235076.db2.gz ODYWZVDTICEATR-CZUORRHYSA-N 1 3 333.863 3.910 20 0 EHADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123277619 1018235089 /nfs/dbraw/zinc/23/50/89/1018235089.db2.gz ODYWZVDTICEATR-CZUORRHYSA-N 1 3 333.863 3.910 20 0 EHADHO Cc1cscc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683776264 1018502766 /nfs/dbraw/zinc/50/27/66/1018502766.db2.gz FXVOHTFWHOMKIG-UHFFFAOYSA-N 1 3 330.497 3.821 20 0 EHADHO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224748 1019440971 /nfs/dbraw/zinc/44/09/71/1019440971.db2.gz VQDJKHNRSPDQOZ-MBOZVWFJSA-N 1 3 330.516 3.956 20 0 EHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513224748 1019440984 /nfs/dbraw/zinc/44/09/84/1019440984.db2.gz VQDJKHNRSPDQOZ-MBOZVWFJSA-N 1 3 330.516 3.956 20 0 EHADHO CC[NH+]1CCC(CN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000580600555 1019722612 /nfs/dbraw/zinc/72/26/12/1019722612.db2.gz OUCGRLRXGOEKAP-FQEVSTJZSA-N 1 3 327.447 3.632 20 0 EHADHO Cc1noc(C)c1CNCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544028 1019809662 /nfs/dbraw/zinc/80/96/62/1019809662.db2.gz CBEQFWGGKICVKF-KXBFYZLASA-N 1 3 327.472 3.682 20 0 EHADHO Cc1noc(C)c1CNCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544028 1019809677 /nfs/dbraw/zinc/80/96/77/1019809677.db2.gz CBEQFWGGKICVKF-KXBFYZLASA-N 1 3 327.472 3.682 20 0 EHADHO CCn1nc(C)c(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1C ZINC000307964506 1020436366 /nfs/dbraw/zinc/43/63/66/1020436366.db2.gz JPHHZDRCGKRLEM-NRFANRHFSA-N 1 3 340.515 3.522 20 0 EHADHO C[N@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647146811 1020559817 /nfs/dbraw/zinc/55/98/17/1020559817.db2.gz CJKNUBPMMFMDOM-IBGZPJMESA-N 1 3 348.450 3.793 20 0 EHADHO C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647146811 1020559826 /nfs/dbraw/zinc/55/98/26/1020559826.db2.gz CJKNUBPMMFMDOM-IBGZPJMESA-N 1 3 348.450 3.793 20 0 EHADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000581564060 1021092253 /nfs/dbraw/zinc/09/22/53/1021092253.db2.gz FPQNVLAQQDIZPU-RTOMLYRKSA-N 1 3 342.527 3.570 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCCN ZINC000111456951 1032978408 /nfs/dbraw/zinc/97/84/08/1032978408.db2.gz ZIKAQUBYTJAACW-SYAJIYQZSA-N 1 3 328.500 3.555 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000519841207 1021718223 /nfs/dbraw/zinc/71/82/23/1021718223.db2.gz KWPNCBCTVWOLME-JBACZVJFSA-N 1 3 330.516 3.836 20 0 EHADHO CCN1CCN(c2ccccc2C[N@H+](CC)Cc2cccs2)CC1 ZINC000506041359 1021768790 /nfs/dbraw/zinc/76/87/90/1021768790.db2.gz UHAYWZJDNPPAGY-UHFFFAOYSA-N 1 3 343.540 3.912 20 0 EHADHO CCN1CCN(c2ccccc2C[N@@H+](CC)Cc2cccs2)CC1 ZINC000506041359 1021768801 /nfs/dbraw/zinc/76/88/01/1021768801.db2.gz UHAYWZJDNPPAGY-UHFFFAOYSA-N 1 3 343.540 3.912 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCc1ccc2ccccc2c1 ZINC000441261167 1022107612 /nfs/dbraw/zinc/10/76/12/1022107612.db2.gz HINQOONIZSZRDY-FSSWDIPSSA-N 1 3 338.495 3.566 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000425922345 1022209387 /nfs/dbraw/zinc/20/93/87/1022209387.db2.gz JYAWQOGCMLLLEZ-NMLBUPMWSA-N 1 3 330.541 3.772 20 0 EHADHO COc1ccc(C(F)(F)F)c(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742397 1022219349 /nfs/dbraw/zinc/21/93/49/1022219349.db2.gz MQRQGLGVDPZFAY-UHFFFAOYSA-N 1 3 342.405 3.680 20 0 EHADHO COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000131006085 1022537105 /nfs/dbraw/zinc/53/71/05/1022537105.db2.gz RZZAEBDKPPXFNO-UHFFFAOYSA-N 1 3 346.515 3.633 20 0 EHADHO COc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000131006085 1022537114 /nfs/dbraw/zinc/53/71/14/1022537114.db2.gz RZZAEBDKPPXFNO-UHFFFAOYSA-N 1 3 346.515 3.633 20 0 EHADHO CCc1noc(C)c1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471863122 1022690572 /nfs/dbraw/zinc/69/05/72/1022690572.db2.gz UUDGOJPRCVXOHA-NQIIRXRSSA-N 1 3 341.499 3.718 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3cccc(Br)c3)C2)CC1 ZINC000550200892 1022720123 /nfs/dbraw/zinc/72/01/23/1022720123.db2.gz ZDEWNDQVPCHMNL-INIZCTEOSA-N 1 3 337.305 3.613 20 0 EHADHO CCC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000187911416 1022799644 /nfs/dbraw/zinc/79/96/44/1022799644.db2.gz XRTKAXZFSMVNRX-PMACEKPBSA-N 1 3 344.524 3.946 20 0 EHADHO CCC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000187911416 1022799656 /nfs/dbraw/zinc/79/96/56/1022799656.db2.gz XRTKAXZFSMVNRX-PMACEKPBSA-N 1 3 344.524 3.946 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000536219776 1033147318 /nfs/dbraw/zinc/14/73/18/1033147318.db2.gz KBLAIBFUNMACQF-GOSISDBHSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000536219776 1033147329 /nfs/dbraw/zinc/14/73/29/1033147329.db2.gz KBLAIBFUNMACQF-GOSISDBHSA-N 1 3 343.515 3.650 20 0 EHADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2cccs2)cc1 ZINC000151357667 1024104521 /nfs/dbraw/zinc/10/45/21/1024104521.db2.gz GZRZECYBMDBDKA-INIZCTEOSA-N 1 3 344.524 3.913 20 0 EHADHO Brc1ccc2oc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2c1 ZINC000582014199 1024366372 /nfs/dbraw/zinc/36/63/72/1024366372.db2.gz KGSSJVZNWCBVRU-LBPRGKRZSA-N 1 3 349.272 3.769 20 0 EHADHO COC[C@H]1C[C@@H]([NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000895623965 1024669659 /nfs/dbraw/zinc/66/96/59/1024669659.db2.gz ZQDMZZWRDCPTCV-RZUBCFFCSA-N 1 3 344.543 3.939 20 0 EHADHO [NH3+]CC1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000435399095 1024897633 /nfs/dbraw/zinc/89/76/33/1024897633.db2.gz VEASKYORMLFVDE-UHFFFAOYSA-N 1 3 327.453 3.727 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1OC ZINC000474598373 1025196227 /nfs/dbraw/zinc/19/62/27/1025196227.db2.gz OZNZPAMNKRTTOE-BRWVUGGUSA-N 1 3 334.504 3.517 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000530230594 1025503433 /nfs/dbraw/zinc/50/34/33/1025503433.db2.gz HXJLTVJBWPAMFU-JSRJAPPDSA-N 1 3 344.543 3.785 20 0 EHADHO [NH3+]CC[C@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000443075920 1025704173 /nfs/dbraw/zinc/70/41/73/1025704173.db2.gz RVWSRNLVHDBHQW-CYBMUJFWSA-N 1 3 348.288 3.558 20 0 EHADHO COc1cccc(F)c1[C@H](C)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000436471438 1025764428 /nfs/dbraw/zinc/76/44/28/1025764428.db2.gz SBFQFWWQECABPY-AWEZNQCLSA-N 1 3 329.419 3.549 20 0 EHADHO C[NH+](C)Cc1cccc(C(=O)Nc2ccccc2Nc2ccncc2)c1 ZINC000684849382 1026095254 /nfs/dbraw/zinc/09/52/54/1026095254.db2.gz CRIRSDRAWAWZMY-UHFFFAOYSA-N 1 3 346.434 3.561 20 0 EHADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000349720041 1026218560 /nfs/dbraw/zinc/21/85/60/1026218560.db2.gz IGABGMCEDVYKCL-QGZVFWFLSA-N 1 3 340.895 3.502 20 0 EHADHO COc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000192917397 1026640299 /nfs/dbraw/zinc/64/02/99/1026640299.db2.gz OTWCPNMKPMTDOJ-SFHVURJKSA-N 1 3 344.886 3.960 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000513713297 1027252364 /nfs/dbraw/zinc/25/23/64/1027252364.db2.gz NGCDJNMBBKILGB-IKGGRYGDSA-N 1 3 342.405 3.547 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCCOC(F)(F)F)CC1 ZINC001307527856 1027320193 /nfs/dbraw/zinc/32/01/93/1027320193.db2.gz AFMJCIRGENUNBA-OAHLLOKOSA-N 1 3 336.442 3.889 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCOC(F)(F)F)CC1 ZINC001307527856 1027320206 /nfs/dbraw/zinc/32/02/06/1027320206.db2.gz AFMJCIRGENUNBA-OAHLLOKOSA-N 1 3 336.442 3.889 20 0 EHADHO Cc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453172609 1027491480 /nfs/dbraw/zinc/49/14/80/1027491480.db2.gz HYRZOKCJJIBHRE-BHDDXSALSA-N 1 3 335.495 3.923 20 0 EHADHO CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422705960 1027865472 /nfs/dbraw/zinc/86/54/72/1027865472.db2.gz SKGMVKACMZIUDQ-NHCUHLMSSA-N 1 3 335.495 3.558 20 0 EHADHO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000359900265 1027870041 /nfs/dbraw/zinc/87/00/41/1027870041.db2.gz PXYUGVQYYCMJQY-STZQEDGTSA-N 1 3 338.495 3.610 20 0 EHADHO FC(F)(F)[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC12CCC2 ZINC000582127028 1027889396 /nfs/dbraw/zinc/88/93/96/1027889396.db2.gz DIOSUGSNEKTBDE-QGZVFWFLSA-N 1 3 338.417 3.887 20 0 EHADHO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(CN2CCCCC2)ccn1 ZINC001167624746 1027915870 /nfs/dbraw/zinc/91/58/70/1027915870.db2.gz AHVALUGRPJNWJQ-UHFFFAOYSA-N 1 3 330.520 3.552 20 0 EHADHO FC(F)(F)c1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000422779762 1027936547 /nfs/dbraw/zinc/93/65/47/1027936547.db2.gz GMWQRYZYLXGZRP-SJPCQFCGSA-N 1 3 338.417 4.000 20 0 EHADHO CCc1nc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])ccc2n1C1CC1 ZINC000582839341 1027967516 /nfs/dbraw/zinc/96/75/16/1027967516.db2.gz XFXAWZJJYYKSRO-WBVHZDCISA-N 1 3 326.488 3.541 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000422835437 1027976602 /nfs/dbraw/zinc/97/66/02/1027976602.db2.gz IWIAGZQSIFNCBC-VQZRKKFQSA-N 1 3 327.447 3.962 20 0 EHADHO COc1cc(CN[C@H](C)c2c[nH+]ccc2N)ccc1OCCC(C)C ZINC000422883712 1028019264 /nfs/dbraw/zinc/01/92/64/1028019264.db2.gz QXOKRAINEMGHIR-OAHLLOKOSA-N 1 3 343.471 3.778 20 0 EHADHO Cc1ccc(COc2ccc(C[C@H](C)N[C@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000422950750 1028087105 /nfs/dbraw/zinc/08/71/05/1028087105.db2.gz YTDXGUQROBNQBQ-ZWKOTPCHSA-N 1 3 338.495 3.703 20 0 EHADHO Cc1cc(Br)ccc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422954159 1028091773 /nfs/dbraw/zinc/09/17/73/1028091773.db2.gz GZPNMKJPUJQXIE-LBPRGKRZSA-N 1 3 348.288 3.770 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000422999164 1028114256 /nfs/dbraw/zinc/11/42/56/1028114256.db2.gz DTVFPDVRCBVTLX-UYAOXDASSA-N 1 3 337.467 3.546 20 0 EHADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(F)c1F ZINC000423035548 1028143766 /nfs/dbraw/zinc/14/37/66/1028143766.db2.gz RTRHQGFAHWKKJF-NUEKZKHPSA-N 1 3 326.406 3.547 20 0 EHADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(F)c1F ZINC000423035547 1028144054 /nfs/dbraw/zinc/14/40/54/1028144054.db2.gz RTRHQGFAHWKKJF-FVQBIDKESA-N 1 3 326.406 3.547 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1N(C)C(C)C ZINC000423054968 1028150698 /nfs/dbraw/zinc/15/06/98/1028150698.db2.gz CKHRXVDCAHJFEC-HNNXBMFYSA-N 1 3 326.488 3.544 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2ncccc2c1 ZINC000423091442 1028177553 /nfs/dbraw/zinc/17/75/53/1028177553.db2.gz ZXUOBZSBOXUFHU-UNMCSNQZSA-N 1 3 345.446 3.580 20 0 EHADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1Cl ZINC000423133959 1028221174 /nfs/dbraw/zinc/22/11/74/1028221174.db2.gz LPVCMXQWCHONQE-KGLIPLIRSA-N 1 3 345.712 3.850 20 0 EHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423146218 1028207283 /nfs/dbraw/zinc/20/72/83/1028207283.db2.gz OQAPGOWKSOKFSD-NMLBUPMWSA-N 1 3 347.572 3.522 20 0 EHADHO CCN(Cc1ccc(Br)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000414720212 1028212338 /nfs/dbraw/zinc/21/23/38/1028212338.db2.gz XPJSHTRNVHSHEA-INIZCTEOSA-N 1 3 325.294 3.722 20 0 EHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C(F)(F)F)n1 ZINC000423134519 1028222143 /nfs/dbraw/zinc/22/21/43/1028222143.db2.gz MIWHPUGOSKVKMR-ZFWWWQNUSA-N 1 3 329.410 3.543 20 0 EHADHO CC(C)[C@H]([NH2+]CC1(N)CCCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423202875 1028272194 /nfs/dbraw/zinc/27/21/94/1028272194.db2.gz ROWGTVRYIBRBBJ-KRWDZBQOSA-N 1 3 331.460 3.872 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCC[C@H](C)[NH3+])nc1 ZINC000423227324 1028294154 /nfs/dbraw/zinc/29/41/54/1028294154.db2.gz VHNDTGCVBQIGKH-YWZLYKJASA-N 1 3 345.918 3.778 20 0 EHADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423284766 1028321902 /nfs/dbraw/zinc/32/19/02/1028321902.db2.gz YIZSQWYOSPEHNA-GJZGRUSLSA-N 1 3 333.476 3.900 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000423291442 1028330381 /nfs/dbraw/zinc/33/03/81/1028330381.db2.gz IICLEOWLDYYDNC-KGLIPLIRSA-N 1 3 337.467 3.787 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000423359997 1028386817 /nfs/dbraw/zinc/38/68/17/1028386817.db2.gz DYZSXBQIDLGIFH-IIAWOOMASA-N 1 3 328.378 3.896 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423362055 1028389407 /nfs/dbraw/zinc/38/94/07/1028389407.db2.gz ASZNGOUXZGPEON-QCPWZWHMSA-N 1 3 326.406 3.929 20 0 EHADHO Brc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423402904 1028420765 /nfs/dbraw/zinc/42/07/65/1028420765.db2.gz WTXUSUBOHDBBNF-GOSISDBHSA-N 1 3 343.268 3.829 20 0 EHADHO C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423409603 1028425681 /nfs/dbraw/zinc/42/56/81/1028425681.db2.gz YWNQXYNLMWVFKD-FJJYHAOUSA-N 1 3 331.287 3.737 20 0 EHADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423464966 1028452156 /nfs/dbraw/zinc/45/21/56/1028452156.db2.gz WERJWVVYKLCSOR-BLLLJJGKSA-N 1 3 337.261 3.849 20 0 EHADHO C[C@H](CCC[NH3+])N[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423464968 1028452842 /nfs/dbraw/zinc/45/28/42/1028452842.db2.gz WERJWVVYKLCSOR-MLGOLLRUSA-N 1 3 337.261 3.849 20 0 EHADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423505814 1028469964 /nfs/dbraw/zinc/46/99/64/1028469964.db2.gz HIUVRTAANGQAAX-IVAOSVALSA-N 1 3 335.495 3.761 20 0 EHADHO COCCc1nc(C)c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423496193 1028483131 /nfs/dbraw/zinc/48/31/31/1028483131.db2.gz DOUKVVHSROLIII-WMLDXEAASA-N 1 3 347.528 3.771 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000236643765 1028559414 /nfs/dbraw/zinc/55/94/14/1028559414.db2.gz SFIIFHQLWKZVCX-UHFFFAOYSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000247159296 1028753634 /nfs/dbraw/zinc/75/36/34/1028753634.db2.gz XTHMXQYXLVJDRR-RBSFLKMASA-N 1 3 326.431 3.505 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000245608140 1028917805 /nfs/dbraw/zinc/91/78/05/1028917805.db2.gz RVDWYTOKWJNPOP-CZAAIQMYSA-N 1 3 348.506 3.930 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000245608140 1028917818 /nfs/dbraw/zinc/91/78/18/1028917818.db2.gz RVDWYTOKWJNPOP-CZAAIQMYSA-N 1 3 348.506 3.930 20 0 EHADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OCc1cccs1 ZINC000424366459 1029029508 /nfs/dbraw/zinc/02/95/08/1029029508.db2.gz IXRIJQDOJHMSPO-IAGOWNOFSA-N 1 3 346.496 3.695 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414836250 1029507801 /nfs/dbraw/zinc/50/78/01/1029507801.db2.gz FNONCLGWKKQLRS-MRXNPFEDSA-N 1 3 331.504 3.778 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)cc1Cl ZINC000414836641 1029512174 /nfs/dbraw/zinc/51/21/74/1029512174.db2.gz FXKJBTPMVAZHHV-AWEZNQCLSA-N 1 3 337.895 3.617 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851034 1029550244 /nfs/dbraw/zinc/55/02/44/1029550244.db2.gz OIMQSXODAWWEJL-VQIMIIECSA-N 1 3 331.504 3.518 20 0 EHADHO Cc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508694335 1029740325 /nfs/dbraw/zinc/74/03/25/1029740325.db2.gz FXSQSAVUXMVRHN-FPOVZHCZSA-N 1 3 338.495 3.874 20 0 EHADHO CCc1nc2c(s1)[C@@H](NCc1cccc3c1CC[NH2+]C3)CCC2 ZINC000635011928 1029958053 /nfs/dbraw/zinc/95/80/53/1029958053.db2.gz RICMTWSXNVIGRW-INIZCTEOSA-N 1 3 327.497 3.518 20 0 EHADHO C[C@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)[C@@H]1CC[NH3+] ZINC000650711105 1030056938 /nfs/dbraw/zinc/05/69/38/1030056938.db2.gz ITIPXTRSMKOMBW-LAUBAEHRSA-N 1 3 339.483 3.610 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481920952 1030122336 /nfs/dbraw/zinc/12/23/36/1030122336.db2.gz WGMCGJVUVNRFKC-XYPHTWIQSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000481920952 1030122347 /nfs/dbraw/zinc/12/23/47/1030122347.db2.gz WGMCGJVUVNRFKC-XYPHTWIQSA-N 1 3 326.406 3.853 20 0 EHADHO CCOc1cc(CNCc2ccccc2C[NH2+]C)cc(Cl)c1OC ZINC000650718276 1030144776 /nfs/dbraw/zinc/14/47/76/1030144776.db2.gz FPIVXGXMZYBYLB-UHFFFAOYSA-N 1 3 348.874 3.757 20 0 EHADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771272 1030154597 /nfs/dbraw/zinc/15/45/97/1030154597.db2.gz ADPDSXZOVGEWDD-RBUKOAKNSA-N 1 3 330.541 3.631 20 0 EHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531969138 1030175685 /nfs/dbraw/zinc/17/56/85/1030175685.db2.gz IFMBVULSKVDTLL-KDOFPFPSSA-N 1 3 331.504 3.588 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(C3CCCC3)s2)C1 ZINC000650723975 1030216493 /nfs/dbraw/zinc/21/64/93/1030216493.db2.gz WKZGROXHIURDNA-BPQIPLTHSA-N 1 3 349.544 3.662 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000121706972 1030349049 /nfs/dbraw/zinc/34/90/49/1030349049.db2.gz QPXMGBGQUSGGFZ-MBOZVWFJSA-N 1 3 340.515 3.814 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@@H](C)C1 ZINC000532246516 1030497376 /nfs/dbraw/zinc/49/73/76/1030497376.db2.gz NOGOROSUIRDNBY-PXNSSMCTSA-N 1 3 340.515 3.816 20 0 EHADHO Cc1cc(Br)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000532348177 1030574908 /nfs/dbraw/zinc/57/49/08/1030574908.db2.gz NOBUSAGPJCQPFG-UHFFFAOYSA-N 1 3 337.305 3.864 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881976 1030758375 /nfs/dbraw/zinc/75/83/75/1030758375.db2.gz GAJBLMNFSLYYBN-NHCUHLMSSA-N 1 3 344.543 3.939 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458764 1030801146 /nfs/dbraw/zinc/80/11/46/1030801146.db2.gz YUFWXHMUDAGIFN-GMOBBJLQSA-N 1 3 332.332 3.613 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527639560 1031067129 /nfs/dbraw/zinc/06/71/29/1031067129.db2.gz GRXYYMJOGDRGDH-YADHBBJMSA-N 1 3 343.559 3.720 20 0 EHADHO CCOC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000551258913 1031164203 /nfs/dbraw/zinc/16/42/03/1031164203.db2.gz LUOHIUNWERXMOF-NJDAHSKKSA-N 1 3 342.527 3.836 20 0 EHADHO COc1c(C)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698683 1031183972 /nfs/dbraw/zinc/18/39/72/1031183972.db2.gz WEDPADWDNIXKHT-AZUAARDMSA-N 1 3 328.500 3.761 20 0 EHADHO COc1c(C)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698683 1031183978 /nfs/dbraw/zinc/18/39/78/1031183978.db2.gz WEDPADWDNIXKHT-AZUAARDMSA-N 1 3 328.500 3.761 20 0 EHADHO C[C@H]1C[C@H](NCc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762608 1031185669 /nfs/dbraw/zinc/18/56/69/1031185669.db2.gz KUNRVOQYYCAAIK-LAUBAEHRSA-N 1 3 348.494 3.716 20 0 EHADHO C[C@H]1C[C@H](NCc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762608 1031185678 /nfs/dbraw/zinc/18/56/78/1031185678.db2.gz KUNRVOQYYCAAIK-LAUBAEHRSA-N 1 3 348.494 3.716 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000151330381 1031353747 /nfs/dbraw/zinc/35/37/47/1031353747.db2.gz GRBLICLRYSAJOJ-JRGCBEDISA-N 1 3 330.516 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000151330381 1031353757 /nfs/dbraw/zinc/35/37/57/1031353757.db2.gz GRBLICLRYSAJOJ-JRGCBEDISA-N 1 3 330.516 3.791 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666995532 1031443262 /nfs/dbraw/zinc/44/32/62/1031443262.db2.gz QJUKEOJRCXFNPZ-GJZGRUSLSA-N 1 3 349.906 3.630 20 0 EHADHO C[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(Br)c1 ZINC000666996789 1031448043 /nfs/dbraw/zinc/44/80/43/1031448043.db2.gz FYJZWZJHBXHTLB-BBRMVZONSA-N 1 3 337.305 3.817 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000484146906 1031469596 /nfs/dbraw/zinc/46/95/96/1031469596.db2.gz RIGPAUOFDPIHRE-AWEZNQCLSA-N 1 3 348.487 3.662 20 0 EHADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000195138317 1032050531 /nfs/dbraw/zinc/05/05/31/1032050531.db2.gz NZQICJLRRKOLQI-AVRDEDQJSA-N 1 3 336.479 3.794 20 0 EHADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138317 1032050543 /nfs/dbraw/zinc/05/05/43/1032050543.db2.gz NZQICJLRRKOLQI-AVRDEDQJSA-N 1 3 336.479 3.794 20 0 EHADHO Cc1cc(Cl)cc(C)c1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685458059 1033346633 /nfs/dbraw/zinc/34/66/33/1033346633.db2.gz ZPPDTLGCDNMYGF-IBGZPJMESA-N 1 3 349.950 3.557 20 0 EHADHO Cc1cc(Cl)cc(C)c1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685458059 1033346647 /nfs/dbraw/zinc/34/66/47/1033346647.db2.gz ZPPDTLGCDNMYGF-IBGZPJMESA-N 1 3 349.950 3.557 20 0 EHADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658140625 1034004913 /nfs/dbraw/zinc/00/49/13/1034004913.db2.gz VOKKLYINXXYCDO-MOPGFXCFSA-N 1 3 330.497 3.556 20 0 EHADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658140625 1034004925 /nfs/dbraw/zinc/00/49/25/1034004925.db2.gz VOKKLYINXXYCDO-MOPGFXCFSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000658236825 1034102985 /nfs/dbraw/zinc/10/29/85/1034102985.db2.gz BTPSTRDOMXBIFH-YCRPNKLZSA-N 1 3 340.467 3.671 20 0 EHADHO CCOc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000643493869 1034121957 /nfs/dbraw/zinc/12/19/57/1034121957.db2.gz XPRZLXZXOHCPBA-HZPDHXFCSA-N 1 3 341.499 3.777 20 0 EHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181903 1034410780 /nfs/dbraw/zinc/41/07/80/1034410780.db2.gz JXDMBEGIRDBLNO-RTWAWAEBSA-N 1 3 337.467 3.570 20 0 EHADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000340181903 1034410790 /nfs/dbraw/zinc/41/07/90/1034410790.db2.gz JXDMBEGIRDBLNO-RTWAWAEBSA-N 1 3 337.467 3.570 20 0 EHADHO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413837076 1035096492 /nfs/dbraw/zinc/09/64/92/1035096492.db2.gz RIJYOBLMEZSXTK-UHFFFAOYSA-N 1 3 345.531 3.523 20 0 EHADHO FC(F)(F)c1cccc(CCNC2CC[NH+](C3CCCC3)CC2)n1 ZINC000570416708 1035251387 /nfs/dbraw/zinc/25/13/87/1035251387.db2.gz OIRSTBXJPQCJMM-UHFFFAOYSA-N 1 3 341.421 3.640 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c(C)c1 ZINC000414077277 1035449525 /nfs/dbraw/zinc/44/95/25/1035449525.db2.gz PSNKMTKBEZMZNH-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000658354637 1036028711 /nfs/dbraw/zinc/02/87/11/1036028711.db2.gz DYNXSOPVXZKUOH-AWEZNQCLSA-N 1 3 333.545 3.795 20 0 EHADHO CCN(C)c1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cn1 ZINC000190760817 1036291030 /nfs/dbraw/zinc/29/10/30/1036291030.db2.gz LLDBIDYJNDQEEV-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO CCN(C)c1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000190760817 1036291049 /nfs/dbraw/zinc/29/10/49/1036291049.db2.gz LLDBIDYJNDQEEV-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO CCN(C)c1ccc(CNCc2cccc(C[NH+](CC)CC)c2)cn1 ZINC000190789594 1036294750 /nfs/dbraw/zinc/29/47/50/1036294750.db2.gz NNEXFHJBPIQTKO-UHFFFAOYSA-N 1 3 340.515 3.669 20 0 EHADHO Cc1ccccc1O[C@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168393182 1036584417 /nfs/dbraw/zinc/58/44/17/1036584417.db2.gz YXKROMLEJBCFFK-FQEVSTJZSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccccc1O[C@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168393182 1036584426 /nfs/dbraw/zinc/58/44/26/1036584426.db2.gz YXKROMLEJBCFFK-FQEVSTJZSA-N 1 3 328.500 3.713 20 0 EHADHO CC(C)Cc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000892610335 1036628520 /nfs/dbraw/zinc/62/85/20/1036628520.db2.gz IDQJXNGJUHXWSZ-UHFFFAOYSA-N 1 3 341.499 3.510 20 0 EHADHO CC(C)Cc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000892611687 1036641404 /nfs/dbraw/zinc/64/14/04/1036641404.db2.gz ZJJJPMFJANJOLV-UHFFFAOYSA-N 1 3 341.499 3.510 20 0 EHADHO CCCOc1ccc(CNCC2=CC[N@H+](C)CC2)c(OCCC)c1 ZINC000539546746 1036902825 /nfs/dbraw/zinc/90/28/25/1036902825.db2.gz HPEIURQWGABNNU-UHFFFAOYSA-N 1 3 332.488 3.616 20 0 EHADHO CCCOc1ccc(CNCC2=CC[N@@H+](C)CC2)c(OCCC)c1 ZINC000539546746 1036902836 /nfs/dbraw/zinc/90/28/36/1036902836.db2.gz HPEIURQWGABNNU-UHFFFAOYSA-N 1 3 332.488 3.616 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464866105 1036924304 /nfs/dbraw/zinc/92/43/04/1036924304.db2.gz OMZCEROYJCWRRS-MXEMCNAFSA-N 1 3 335.580 3.693 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464866105 1036924321 /nfs/dbraw/zinc/92/43/21/1036924321.db2.gz OMZCEROYJCWRRS-MXEMCNAFSA-N 1 3 335.580 3.693 20 0 EHADHO COC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310994649 1036937361 /nfs/dbraw/zinc/93/73/61/1036937361.db2.gz TXTJEYPFISFATE-COPCDDAFSA-N 1 3 338.495 3.874 20 0 EHADHO c1oc(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542824 1037066950 /nfs/dbraw/zinc/06/69/50/1037066950.db2.gz CLBAWULNRLZJQP-ZWKOTPCHSA-N 1 3 325.456 3.553 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046203 1037170320 /nfs/dbraw/zinc/17/03/20/1037170320.db2.gz VAQNJNFWYMZZLR-GJZGRUSLSA-N 1 3 328.422 3.956 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928617 1037725744 /nfs/dbraw/zinc/72/57/44/1037725744.db2.gz VCIATHOVPGOMNL-CJNGLKHVSA-N 1 3 337.305 3.676 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928617 1037725754 /nfs/dbraw/zinc/72/57/54/1037725754.db2.gz VCIATHOVPGOMNL-CJNGLKHVSA-N 1 3 337.305 3.676 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928617 1037725769 /nfs/dbraw/zinc/72/57/69/1037725769.db2.gz VCIATHOVPGOMNL-CJNGLKHVSA-N 1 3 337.305 3.676 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000463146749 1037815959 /nfs/dbraw/zinc/81/59/59/1037815959.db2.gz PLFRRDCSTITSPY-DYQZNNLLSA-N 1 3 343.559 3.750 20 0 EHADHO COC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000540405880 1037901016 /nfs/dbraw/zinc/90/10/16/1037901016.db2.gz DVGUGUSIHKIJPY-HNAYVOBHSA-N 1 3 340.458 3.897 20 0 EHADHO COC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000540405880 1037901040 /nfs/dbraw/zinc/90/10/40/1037901040.db2.gz DVGUGUSIHKIJPY-HNAYVOBHSA-N 1 3 340.458 3.897 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001168258599 1038314643 /nfs/dbraw/zinc/31/46/43/1038314643.db2.gz AVJSTFWUANZEHM-UTKZUKDTSA-N 1 3 340.511 3.573 20 0 EHADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001168258599 1038314656 /nfs/dbraw/zinc/31/46/56/1038314656.db2.gz AVJSTFWUANZEHM-UTKZUKDTSA-N 1 3 340.511 3.573 20 0 EHADHO CC1(C)C[C@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CO1 ZINC000659980711 1038599086 /nfs/dbraw/zinc/59/90/86/1038599086.db2.gz YLUJEGJPVGZVJG-PZJWPPBQSA-N 1 3 328.500 3.542 20 0 EHADHO CC1(C)C[C@H](N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CO1 ZINC000659980711 1038599096 /nfs/dbraw/zinc/59/90/96/1038599096.db2.gz YLUJEGJPVGZVJG-PZJWPPBQSA-N 1 3 328.500 3.542 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000539070966 1038669267 /nfs/dbraw/zinc/66/92/67/1038669267.db2.gz ATARXNJDTMKMMK-KHYOSLBOSA-N 1 3 336.907 3.806 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[C@@H](C)O1 ZINC000539071453 1038670516 /nfs/dbraw/zinc/67/05/16/1038670516.db2.gz IIJOBEVJGLQCJY-DEPWHIHDSA-N 1 3 348.506 3.941 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552048040 1038917097 /nfs/dbraw/zinc/91/70/97/1038917097.db2.gz FLJBKJBOVOXOFA-BAGYTPMASA-N 1 3 337.511 3.806 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552048040 1038917108 /nfs/dbraw/zinc/91/71/08/1038917108.db2.gz FLJBKJBOVOXOFA-BAGYTPMASA-N 1 3 337.511 3.806 20 0 EHADHO CC(C)Cc1ccc([C@@H](CNC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000554141203 1038965430 /nfs/dbraw/zinc/96/54/30/1038965430.db2.gz ZUEQSZWJDQUPAE-JOCHJYFZSA-N 1 3 345.575 3.950 20 0 EHADHO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000108450518 1039050520 /nfs/dbraw/zinc/05/05/20/1039050520.db2.gz QKJFKYXAYGMUGH-KURKYZTESA-N 1 3 343.515 3.525 20 0 EHADHO COc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898517777 1039185748 /nfs/dbraw/zinc/18/57/48/1039185748.db2.gz SQLWSGLKCRYNTQ-CEXWTWQISA-N 1 3 340.467 3.679 20 0 EHADHO COc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898517777 1039185755 /nfs/dbraw/zinc/18/57/55/1039185755.db2.gz SQLWSGLKCRYNTQ-CEXWTWQISA-N 1 3 340.467 3.679 20 0 EHADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000552336380 1039208185 /nfs/dbraw/zinc/20/81/85/1039208185.db2.gz BDIHIQJXKCETPB-TYPHKJRUSA-N 1 3 329.532 3.504 20 0 EHADHO COc1cc(CN2CCC23CCC3)cc(C[N@@H+]2CCC23CCC3)c1 ZINC000432836247 1039512543 /nfs/dbraw/zinc/51/25/43/1039512543.db2.gz SZABGNVRLAVLGL-UHFFFAOYSA-N 1 3 326.484 3.952 20 0 EHADHO COc1cc(CN2CCC23CCC3)cc(C[N@H+]2CCC23CCC3)c1 ZINC000432836247 1039512551 /nfs/dbraw/zinc/51/25/51/1039512551.db2.gz SZABGNVRLAVLGL-UHFFFAOYSA-N 1 3 326.484 3.952 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417303272 1039643056 /nfs/dbraw/zinc/64/30/56/1039643056.db2.gz ADCOCHDUCLYNSI-FLXSYLCISA-N 1 3 336.545 3.719 20 0 EHADHO Cc1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc(C)c1O ZINC000554866879 1039854029 /nfs/dbraw/zinc/85/40/29/1039854029.db2.gz GFENORMWSRQNAL-OYRHEFFESA-N 1 3 336.479 3.573 20 0 EHADHO Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc(C)c1O ZINC000554866879 1039854058 /nfs/dbraw/zinc/85/40/58/1039854058.db2.gz GFENORMWSRQNAL-OYRHEFFESA-N 1 3 336.479 3.573 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581648 1040057076 /nfs/dbraw/zinc/05/70/76/1040057076.db2.gz MHAPPKNREAZMQB-WQVCFCJDSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581648 1040057094 /nfs/dbraw/zinc/05/70/94/1040057094.db2.gz MHAPPKNREAZMQB-WQVCFCJDSA-N 1 3 325.294 3.973 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000479252040 1040073335 /nfs/dbraw/zinc/07/33/35/1040073335.db2.gz SKAOAXVADAQUSL-KHYOSLBOSA-N 1 3 336.907 3.806 20 0 EHADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512627099 1040325114 /nfs/dbraw/zinc/32/51/14/1040325114.db2.gz ZYVMMTRDFADDPE-PVIWCNJMSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549867956 1040455867 /nfs/dbraw/zinc/45/58/67/1040455867.db2.gz KJZCXMIMPJDZTN-GIVPXCGWSA-N 1 3 342.527 3.693 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000487562901 1040959899 /nfs/dbraw/zinc/95/98/99/1040959899.db2.gz TVFKFQXZCRCSMC-HAGHYFMRSA-N 1 3 330.541 3.630 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433330364 1041291833 /nfs/dbraw/zinc/29/18/33/1041291833.db2.gz BQESNAJCLBUEHO-HOTGVXAUSA-N 1 3 330.476 3.517 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCC(=O)OC(C)(C)C)CC1 ZINC000512964591 1041307605 /nfs/dbraw/zinc/30/76/05/1041307605.db2.gz SCPWRQOYSHMEKU-FUHWJXTLSA-N 1 3 338.536 3.741 20 0 EHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657832 1041756792 /nfs/dbraw/zinc/75/67/92/1041756792.db2.gz ANLCSKXBXAZHMV-QGZVFWFLSA-N 1 3 342.405 3.502 20 0 EHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657832 1041756800 /nfs/dbraw/zinc/75/68/00/1041756800.db2.gz ANLCSKXBXAZHMV-QGZVFWFLSA-N 1 3 342.405 3.502 20 0 EHADHO COc1cccc(-c2csc(CNCC3(C)CC[NH+](C)CC3)n2)c1 ZINC000893471143 1042212857 /nfs/dbraw/zinc/21/28/57/1042212857.db2.gz PHEUXZSYOYIREL-UHFFFAOYSA-N 1 3 345.512 3.640 20 0 EHADHO CC1(C)CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000652341386 1042397641 /nfs/dbraw/zinc/39/76/41/1042397641.db2.gz LRLOVJAXRXOVSF-INIZCTEOSA-N 1 3 326.406 3.743 20 0 EHADHO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662150792 1042546440 /nfs/dbraw/zinc/54/64/40/1042546440.db2.gz BBZLSCOQUSOREG-OXQOHEQNSA-N 1 3 330.516 3.576 20 0 EHADHO c1c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)noc1-c1ccccc1 ZINC000662291917 1042662143 /nfs/dbraw/zinc/66/21/43/1042662143.db2.gz ARMWRBACDKHCSY-SFHVURJKSA-N 1 3 325.456 3.553 20 0 EHADHO C[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)[C@@H]1CCC[NH3+] ZINC000662316726 1042685508 /nfs/dbraw/zinc/68/55/08/1042685508.db2.gz MPKMILLHSSHFNS-FZKQIMNGSA-N 1 3 349.425 3.959 20 0 EHADHO COc1cccc(C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C2CC2)c1 ZINC000663470657 1042900286 /nfs/dbraw/zinc/90/02/86/1042900286.db2.gz WBALJLKKFRWUIO-KNQAVFIVSA-N 1 3 342.527 3.728 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925777260 1042901577 /nfs/dbraw/zinc/90/15/77/1042901577.db2.gz CWVYWAAFGOAWGL-TZMCWYRMSA-N 1 3 334.357 3.574 20 0 EHADHO CC(C)[C@@H](NCc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000343986804 1043062007 /nfs/dbraw/zinc/06/20/07/1043062007.db2.gz NQYVXRHXNJLVIA-HXUWFJFHSA-N 1 3 327.472 3.509 20 0 EHADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412087 1043117747 /nfs/dbraw/zinc/11/77/47/1043117747.db2.gz ACZDCKMCNRRFSX-BEFAXECRSA-N 1 3 336.907 3.808 20 0 EHADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412087 1043117749 /nfs/dbraw/zinc/11/77/49/1043117749.db2.gz ACZDCKMCNRRFSX-BEFAXECRSA-N 1 3 336.907 3.808 20 0 EHADHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(Cl)s1 ZINC000925806879 1043136601 /nfs/dbraw/zinc/13/66/01/1043136601.db2.gz CDFMEVSARFQGCV-CQSZACIVSA-N 1 3 349.931 3.658 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000344066682 1043192279 /nfs/dbraw/zinc/19/22/79/1043192279.db2.gz QQBKNAUSIOSHDM-QINHECLXSA-N 1 3 334.479 3.682 20 0 EHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344303266 1043616145 /nfs/dbraw/zinc/61/61/45/1043616145.db2.gz SPLDAMYXZANATI-YPAWHYETSA-N 1 3 342.527 3.885 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3ccccc32)C[C@H](C)O1 ZINC000062253044 1043829865 /nfs/dbraw/zinc/82/98/65/1043829865.db2.gz LFJNRMDVRULNQZ-ROUUACIJSA-N 1 3 326.484 3.819 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@@H](C)C1 ZINC000279524182 1044180772 /nfs/dbraw/zinc/18/07/72/1044180772.db2.gz OPOOYRKSWLKIMO-MAUKXSAKSA-N 1 3 343.446 3.833 20 0 EHADHO O[C@@H](CC1CCCC1)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243281 1044362029 /nfs/dbraw/zinc/36/20/29/1044362029.db2.gz KDXXDTDOAMIAAR-FCHUYYIVSA-N 1 3 342.527 3.526 20 0 EHADHO O[C@@H](CC1CCCC1)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512243281 1044362041 /nfs/dbraw/zinc/36/20/41/1044362041.db2.gz KDXXDTDOAMIAAR-FCHUYYIVSA-N 1 3 342.527 3.526 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)c1ccccc1Cl ZINC000153603968 1125636546 /nfs/dbraw/zinc/63/65/46/1125636546.db2.gz OUVDHPLBHVVYSW-ZYSHUDEJSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000153603968 1125636549 /nfs/dbraw/zinc/63/65/49/1125636549.db2.gz OUVDHPLBHVVYSW-ZYSHUDEJSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000153603968 1125636553 /nfs/dbraw/zinc/63/65/53/1125636553.db2.gz OUVDHPLBHVVYSW-ZYSHUDEJSA-N 1 3 337.939 3.653 20 0 EHADHO C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173974314 1126844272 /nfs/dbraw/zinc/84/42/72/1126844272.db2.gz CNRCCYGOOBMIBU-FQEVSTJZSA-N 1 3 336.479 3.575 20 0 EHADHO C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173974314 1126844275 /nfs/dbraw/zinc/84/42/75/1126844275.db2.gz CNRCCYGOOBMIBU-FQEVSTJZSA-N 1 3 336.479 3.575 20 0 EHADHO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623369826 1126932441 /nfs/dbraw/zinc/93/24/41/1126932441.db2.gz SNEFUDKWWPRMLC-CRAIPNDOSA-N 1 3 331.504 3.634 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1OC1CCCC1 ZINC000623400466 1126945582 /nfs/dbraw/zinc/94/55/82/1126945582.db2.gz VJVGTHRBQGBYEQ-QGZVFWFLSA-N 1 3 346.515 3.979 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000178035195 1127005292 /nfs/dbraw/zinc/00/52/92/1127005292.db2.gz IQAXIOHVEUTGLK-MJBXVCDLSA-N 1 3 330.925 3.942 20 0 EHADHO C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000623655761 1127005542 /nfs/dbraw/zinc/00/55/42/1127005542.db2.gz DXPDVIKUCKBFLP-CABCVRRESA-N 1 3 339.321 3.874 20 0 EHADHO CC[NH+]1CCC(N[C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623853394 1127202361 /nfs/dbraw/zinc/20/23/61/1127202361.db2.gz XGAOQWXMPKSHGX-CYBMUJFWSA-N 1 3 325.294 3.892 20 0 EHADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124107 1127256591 /nfs/dbraw/zinc/25/65/91/1127256591.db2.gz XJJYZESAFYQKRJ-BBRMVZONSA-N 1 3 341.421 3.799 20 0 EHADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381792229 1127492983 /nfs/dbraw/zinc/49/29/83/1127492983.db2.gz BBZGOIGWDRRGGK-AKHDSKFASA-N 1 3 334.454 3.922 20 0 EHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980827 1127618027 /nfs/dbraw/zinc/61/80/27/1127618027.db2.gz RAVKJVASNARCHG-NHCUHLMSSA-N 1 3 342.527 3.980 20 0 EHADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc2c(c1)CNC2 ZINC000347553917 1128076734 /nfs/dbraw/zinc/07/67/34/1128076734.db2.gz MESAVDAKQFBHCN-UHFFFAOYSA-N 1 3 349.478 3.571 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000062253197 1128133917 /nfs/dbraw/zinc/13/39/17/1128133917.db2.gz YXHVSYBJLQHERU-ROUUACIJSA-N 1 3 332.532 3.963 20 0 EHADHO Cc1sc(C[NH2+]CCCN2CCCCC2)cc1Br ZINC000227774405 1120181807 /nfs/dbraw/zinc/18/18/07/1120181807.db2.gz HVTLCODVBAEPHZ-UHFFFAOYSA-N 1 3 331.323 3.785 20 0 EHADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000192759050 1120747735 /nfs/dbraw/zinc/74/77/35/1120747735.db2.gz MCLSFUUADGYCCK-JOCHJYFZSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000192759050 1120747738 /nfs/dbraw/zinc/74/77/38/1120747738.db2.gz MCLSFUUADGYCCK-JOCHJYFZSA-N 1 3 343.559 3.856 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237092456 1121473077 /nfs/dbraw/zinc/47/30/77/1121473077.db2.gz MMXBGEJGBMJQMU-UHFFFAOYSA-N 1 3 343.298 3.947 20 0 EHADHO C[C@@H]1CCC[C@](C[NH2+]C2CCN(Cc3ccccc3)CC2)(N(C)C)C1 ZINC000237527048 1121487699 /nfs/dbraw/zinc/48/76/99/1121487699.db2.gz IFQUHNUUASCCBF-KNQAVFIVSA-N 1 3 343.559 3.751 20 0 EHADHO C[C@H](C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1)CN1CCCC1 ZINC000237607682 1121489495 /nfs/dbraw/zinc/48/94/95/1121489495.db2.gz FCQYODGNTCJACE-HZPDHXFCSA-N 1 3 340.458 3.931 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1Br ZINC000037197142 1122173667 /nfs/dbraw/zinc/17/36/67/1122173667.db2.gz LZTHPJSHMUAPHG-GFCCVEGCSA-N 1 3 343.309 3.696 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1Br ZINC000127849931 1122510688 /nfs/dbraw/zinc/51/06/88/1122510688.db2.gz AZCSRTFNNCCFKF-UHFFFAOYSA-N 1 3 325.294 3.720 20 0 EHADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000128768240 1122665067 /nfs/dbraw/zinc/66/50/67/1122665067.db2.gz RVZQZBMAXHKLKO-SFHVURJKSA-N 1 3 343.515 3.794 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000134158902 1123496452 /nfs/dbraw/zinc/49/64/52/1123496452.db2.gz QIPUAWAJUKXEDU-UHFFFAOYSA-N 1 3 344.547 3.626 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000134158902 1123496454 /nfs/dbraw/zinc/49/64/54/1123496454.db2.gz QIPUAWAJUKXEDU-UHFFFAOYSA-N 1 3 344.547 3.626 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245775909 1123950204 /nfs/dbraw/zinc/95/02/04/1123950204.db2.gz YAZKPAPVRGQGPF-CIAFKFPVSA-N 1 3 341.543 3.646 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115707 1124025639 /nfs/dbraw/zinc/02/56/39/1124025639.db2.gz QDSXJNHCMCRCHI-GUYCJALGSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115707 1124025644 /nfs/dbraw/zinc/02/56/44/1124025644.db2.gz QDSXJNHCMCRCHI-GUYCJALGSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115707 1124025648 /nfs/dbraw/zinc/02/56/48/1124025648.db2.gz QDSXJNHCMCRCHI-GUYCJALGSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1)C(C)C ZINC000617014827 1124077929 /nfs/dbraw/zinc/07/79/29/1124077929.db2.gz QJGQEFRLBXNQAP-IBGZPJMESA-N 1 3 345.531 3.520 20 0 EHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1)C(C)C ZINC000617014827 1124077934 /nfs/dbraw/zinc/07/79/34/1124077934.db2.gz QJGQEFRLBXNQAP-IBGZPJMESA-N 1 3 345.531 3.520 20 0 EHADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000248135410 1124642043 /nfs/dbraw/zinc/64/20/43/1124642043.db2.gz OZXMQLNSCHKGIA-WBMJQRKESA-N 1 3 328.378 3.504 20 0 EHADHO C[N@H+]1CCC[C@H](CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000248135410 1124642048 /nfs/dbraw/zinc/64/20/48/1124642048.db2.gz OZXMQLNSCHKGIA-WBMJQRKESA-N 1 3 328.378 3.504 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163557 1124644054 /nfs/dbraw/zinc/64/40/54/1124644054.db2.gz SNNMQXORANUXJW-NJDAHSKKSA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163557 1124644059 /nfs/dbraw/zinc/64/40/59/1124644059.db2.gz SNNMQXORANUXJW-NJDAHSKKSA-N 1 3 328.500 3.542 20 0 EHADHO CCOCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248391996 1124655148 /nfs/dbraw/zinc/65/51/48/1124655148.db2.gz CQDHYSPZQYOSQZ-NJDAHSKKSA-N 1 3 330.516 3.693 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C3CCC3)C1)C2 ZINC000248967495 1124722825 /nfs/dbraw/zinc/72/28/25/1124722825.db2.gz CSPWIBMKOPMRNT-QRQLOZEOSA-N 1 3 342.527 3.795 20 0 EHADHO COc1cc(F)cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000090972277 1124947383 /nfs/dbraw/zinc/94/73/83/1124947383.db2.gz WWPMQZROZSEOJG-OAHLLOKOSA-N 1 3 346.446 3.626 20 0 EHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285533 1124973623 /nfs/dbraw/zinc/97/36/23/1124973623.db2.gz FAQZQKZJWONWNG-UWJYYQICSA-N 1 3 347.522 3.673 20 0 EHADHO CCC[NH+]1CCC(CN[C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091333027 1124976151 /nfs/dbraw/zinc/97/61/51/1124976151.db2.gz IWIRTPKLADLZIZ-AWEZNQCLSA-N 1 3 348.922 3.999 20 0 EHADHO Cn1c2ccc(Cl)cc2nc1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC000922847586 1129690244 /nfs/dbraw/zinc/69/02/44/1129690244.db2.gz URIHWARLEGYKGJ-UHFFFAOYSA-N 1 3 346.906 3.723 20 0 EHADHO CCCCCC[C@@H](CCC)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001172387486 1131728504 /nfs/dbraw/zinc/72/85/04/1131728504.db2.gz KFFWZVNPAKEASI-QGZVFWFLSA-N 1 3 326.525 3.872 20 0 EHADHO CC(C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001172436998 1131741004 /nfs/dbraw/zinc/74/10/04/1131741004.db2.gz LJUZBSZMVQQCIR-INIZCTEOSA-N 1 3 338.923 3.879 20 0 EHADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565425 1131774387 /nfs/dbraw/zinc/77/43/87/1131774387.db2.gz YEGYTIHYYFTHFJ-BAGYTPMASA-N 1 3 342.527 3.898 20 0 EHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(N(C)C)CC1 ZINC001173080635 1131960548 /nfs/dbraw/zinc/96/05/48/1131960548.db2.gz ZUTNDFXPHADKRS-ZDUSSCGKSA-N 1 3 330.394 3.542 20 0 EHADHO COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001173716819 1132134717 /nfs/dbraw/zinc/13/47/17/1132134717.db2.gz HQNWTIWSNMGYEZ-OAHLLOKOSA-N 1 3 346.515 3.645 20 0 EHADHO C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386332206 1132504970 /nfs/dbraw/zinc/50/49/70/1132504970.db2.gz MNMLMRRQLKLNSW-WMQCIHAUSA-N 1 3 335.495 3.959 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(C)(C)C)cc3)CC1)C2 ZINC001169153254 1132680724 /nfs/dbraw/zinc/68/07/24/1132680724.db2.gz IIOBKNFHEJJADJ-WKCHPHFGSA-N 1 3 341.543 3.731 20 0 EHADHO Cc1c(F)cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206004494 1132691508 /nfs/dbraw/zinc/69/15/08/1132691508.db2.gz SQMGWJQVXJLYKH-FZMZJTMJSA-N 1 3 343.284 3.703 20 0 EHADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(N)c(C(F)(F)F)cn1 ZINC001169686566 1132820766 /nfs/dbraw/zinc/82/07/66/1132820766.db2.gz XTRFGIJKMOAQOK-ZDUSSCGKSA-N 1 3 336.361 3.923 20 0 EHADHO Fc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC000067978649 1133100065 /nfs/dbraw/zinc/10/00/65/1133100065.db2.gz PIMNHZFRTQFDOJ-UHFFFAOYSA-N 1 3 346.421 3.729 20 0 EHADHO CC(C)Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC001178169754 1133143952 /nfs/dbraw/zinc/14/39/52/1133143952.db2.gz ARGCWWPJSWLLEP-FCHUYYIVSA-N 1 3 344.543 3.743 20 0 EHADHO CC[C@]1(O)CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073187 1133453431 /nfs/dbraw/zinc/45/34/31/1133453431.db2.gz NMYXYQUVNDFRTK-VXKWHMMOSA-N 1 3 344.543 3.772 20 0 EHADHO CC[C@]1(O)CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073187 1133453435 /nfs/dbraw/zinc/45/34/35/1133453435.db2.gz NMYXYQUVNDFRTK-VXKWHMMOSA-N 1 3 344.543 3.772 20 0 EHADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001181324445 1133479937 /nfs/dbraw/zinc/47/99/37/1133479937.db2.gz QPZPCZUGESZFRP-CALCHBBNSA-N 1 3 326.415 3.611 20 0 EHADHO CN1C[C@@H]2C[N@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]2C1 ZINC001181324445 1133479940 /nfs/dbraw/zinc/47/99/40/1133479940.db2.gz QPZPCZUGESZFRP-CALCHBBNSA-N 1 3 326.415 3.611 20 0 EHADHO CCCCN(CC)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001182235068 1133596024 /nfs/dbraw/zinc/59/60/24/1133596024.db2.gz MPNXPFZKEWDTMD-LJQANCHMSA-N 1 3 347.547 3.554 20 0 EHADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@H]2C1 ZINC001184387518 1133933715 /nfs/dbraw/zinc/93/37/15/1133933715.db2.gz LSZOGURFPGHQLJ-VTBJDEEOSA-N 1 3 349.316 3.625 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)N(C)C)cc1CN1CCCCC1 ZINC000775365005 1134668068 /nfs/dbraw/zinc/66/80/68/1134668068.db2.gz NYOCCHSYOZZLFU-KRWDZBQOSA-N 1 3 347.547 3.672 20 0 EHADHO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775385903 1134696665 /nfs/dbraw/zinc/69/66/65/1134696665.db2.gz BMQKOPVKFDZVGG-UWJYYQICSA-N 1 3 348.531 3.883 20 0 EHADHO Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cnc1C ZINC001170527779 1135554826 /nfs/dbraw/zinc/55/48/26/1135554826.db2.gz BUPRSDGDIJFSBE-UHFFFAOYSA-N 1 3 348.494 3.608 20 0 EHADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027665 1135767767 /nfs/dbraw/zinc/76/77/67/1135767767.db2.gz RWMHHUFSWQSFEQ-MSOLQXFVSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027665 1135767771 /nfs/dbraw/zinc/76/77/71/1135767771.db2.gz RWMHHUFSWQSFEQ-MSOLQXFVSA-N 1 3 338.923 3.609 20 0 EHADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(Br)nc1 ZINC000810219859 1135939506 /nfs/dbraw/zinc/93/95/06/1135939506.db2.gz WUHZWQQMDQHZGR-GXTWGEPZSA-N 1 3 342.325 3.861 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)ccc1OC ZINC000850525452 1136278191 /nfs/dbraw/zinc/27/81/91/1136278191.db2.gz NMVAFOHTOKEAII-VQIMIIECSA-N 1 3 346.515 3.899 20 0 EHADHO CN(Cc1oc2ccccc2c1Br)C1CCC([NH3+])CC1 ZINC000852741477 1136482107 /nfs/dbraw/zinc/48/21/07/1136482107.db2.gz UHHBJBMRMHPRNM-UHFFFAOYSA-N 1 3 337.261 3.897 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](SC)C2)CC1 ZINC000776702331 1136578766 /nfs/dbraw/zinc/57/87/66/1136578766.db2.gz YJNFDKOFQXTUIR-RTBURBONSA-N 1 3 347.572 3.592 20 0 EHADHO Cc1cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000817896639 1136844255 /nfs/dbraw/zinc/84/42/55/1136844255.db2.gz MSPUTBUXHHWNQM-MJGOQNOKSA-N 1 3 328.481 3.710 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000817905161 1136845397 /nfs/dbraw/zinc/84/53/97/1136845397.db2.gz JXJIUWLDOJNUMH-GXRSIYKFSA-N 1 3 338.495 3.774 20 0 EHADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000818942699 1136893781 /nfs/dbraw/zinc/89/37/81/1136893781.db2.gz IIKICWUIWRKPOT-HXUWFJFHSA-N 1 3 344.886 3.759 20 0 EHADHO CCCCN1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819042522 1136901573 /nfs/dbraw/zinc/90/15/73/1136901573.db2.gz JJGNZAANROQUSW-KRWDZBQOSA-N 1 3 344.421 3.593 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ccnc(CN)c3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171028474 1137111759 /nfs/dbraw/zinc/11/17/59/1137111759.db2.gz GJSRTXSGGGVXAA-CHYNRVTJSA-N 1 3 344.547 3.911 20 0 EHADHO Fc1cccc(Br)c1CN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246464740 1137179175 /nfs/dbraw/zinc/17/91/75/1137179175.db2.gz SHTULXJBNPUWOR-LBPRGKRZSA-N 1 3 341.268 3.600 20 0 EHADHO CCc1nocc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717504 1137306431 /nfs/dbraw/zinc/30/64/31/1137306431.db2.gz COUSSSPPXNBORE-UHFFFAOYSA-N 1 3 327.472 3.629 20 0 EHADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000845941466 1137321771 /nfs/dbraw/zinc/32/17/71/1137321771.db2.gz FIPLNCSWAOKPBK-GVDBMIGSSA-N 1 3 326.525 3.597 20 0 EHADHO CC[C@@H](NCCC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000866468793 1137357313 /nfs/dbraw/zinc/35/73/13/1137357313.db2.gz COOLLNFULOLYNQ-HXUWFJFHSA-N 1 3 340.515 3.763 20 0 EHADHO c1cn2c(n1)[C@@H](NCCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000866470041 1137357631 /nfs/dbraw/zinc/35/76/31/1137357631.db2.gz NWTNNNLDIGTCPQ-FQEVSTJZSA-N 1 3 338.499 3.610 20 0 EHADHO BrC1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000846834603 1137370511 /nfs/dbraw/zinc/37/05/11/1137370511.db2.gz QANGYHIJPQWGJH-UHFFFAOYSA-N 1 3 329.326 3.502 20 0 EHADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000867987538 1137392533 /nfs/dbraw/zinc/39/25/33/1137392533.db2.gz NCXRZCCRJVLJOU-JXFKEZNVSA-N 1 3 349.478 3.504 20 0 EHADHO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CC2 ZINC001171302606 1137405593 /nfs/dbraw/zinc/40/55/93/1137405593.db2.gz WMUYIKYGQLRQPX-KFWWJZLASA-N 1 3 336.907 3.668 20 0 EHADHO CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716680086 1137488397 /nfs/dbraw/zinc/48/83/97/1137488397.db2.gz FRJKPILWMMPEFL-HAGHYFMRSA-N 1 3 328.500 3.587 20 0 EHADHO Cc1cccc2c1CC[C@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001171558367 1137497752 /nfs/dbraw/zinc/49/77/52/1137497752.db2.gz HLESRJQGBKFTHS-FQEVSTJZSA-N 1 3 338.470 3.941 20 0 EHADHO COc1ccccc1O[C@H]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171638144 1137504837 /nfs/dbraw/zinc/50/48/37/1137504837.db2.gz UFPDIVVYWOWHDI-KRWDZBQOSA-N 1 3 346.515 3.800 20 0 EHADHO COc1ccccc1O[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638144 1137504838 /nfs/dbraw/zinc/50/48/38/1137504838.db2.gz UFPDIVVYWOWHDI-KRWDZBQOSA-N 1 3 346.515 3.800 20 0 EHADHO COc1ccccc1O[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638144 1137504840 /nfs/dbraw/zinc/50/48/40/1137504840.db2.gz UFPDIVVYWOWHDI-KRWDZBQOSA-N 1 3 346.515 3.800 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001171693935 1137507767 /nfs/dbraw/zinc/50/77/67/1137507767.db2.gz PUWXRCLIFLQKLY-FHWLQOOXSA-N 1 3 340.515 3.565 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001171693935 1137507768 /nfs/dbraw/zinc/50/77/68/1137507768.db2.gz PUWXRCLIFLQKLY-FHWLQOOXSA-N 1 3 340.515 3.565 20 0 EHADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001171784001 1137512306 /nfs/dbraw/zinc/51/23/06/1137512306.db2.gz CKXDGNRXNSOBNQ-IBGZPJMESA-N 1 3 330.491 3.927 20 0 EHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001171784001 1137512308 /nfs/dbraw/zinc/51/23/08/1137512308.db2.gz CKXDGNRXNSOBNQ-IBGZPJMESA-N 1 3 330.491 3.927 20 0 EHADHO CCN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962453 1137519703 /nfs/dbraw/zinc/51/97/03/1137519703.db2.gz DBXNVPSSCMGYCN-UXHICEINSA-N 1 3 329.532 3.504 20 0 EHADHO CN(CCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986270 1137527400 /nfs/dbraw/zinc/52/74/00/1137527400.db2.gz GMUQFDIDVKKLCA-NRFANRHFSA-N 1 3 337.511 3.999 20 0 EHADHO CN(CCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986270 1137527401 /nfs/dbraw/zinc/52/74/01/1137527401.db2.gz GMUQFDIDVKKLCA-NRFANRHFSA-N 1 3 337.511 3.999 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069730 1137535187 /nfs/dbraw/zinc/53/51/87/1137535187.db2.gz UCWCWPAHGOOGPF-ZQONDGBOSA-N 1 3 341.543 3.597 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069730 1137535188 /nfs/dbraw/zinc/53/51/88/1137535188.db2.gz UCWCWPAHGOOGPF-ZQONDGBOSA-N 1 3 341.543 3.597 20 0 EHADHO c1csc(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172069825 1137535227 /nfs/dbraw/zinc/53/52/27/1137535227.db2.gz XWJMQQTYBQCRKS-LDLYASANSA-N 1 3 341.524 3.861 20 0 EHADHO c1csc(CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172069825 1137535229 /nfs/dbraw/zinc/53/52/29/1137535229.db2.gz XWJMQQTYBQCRKS-LDLYASANSA-N 1 3 341.524 3.861 20 0 EHADHO C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172134057 1137536043 /nfs/dbraw/zinc/53/60/43/1137536043.db2.gz WQIOQXJVLZGNQX-DBOLQNLKSA-N 1 3 345.506 3.520 20 0 EHADHO N[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001206156976 1137536890 /nfs/dbraw/zinc/53/68/90/1137536890.db2.gz UXWKVGJRRVWUFB-UXHICEINSA-N 1 3 328.431 3.527 20 0 EHADHO N[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001206156976 1137536891 /nfs/dbraw/zinc/53/68/91/1137536891.db2.gz UXWKVGJRRVWUFB-UXHICEINSA-N 1 3 328.431 3.527 20 0 EHADHO Cc1cc(C)n(-c2ccc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)n1 ZINC001172108105 1137537041 /nfs/dbraw/zinc/53/70/41/1137537041.db2.gz PROBUIHRZWOFKD-NUZGMZIFSA-N 1 3 338.499 3.594 20 0 EHADHO Cc1cc(C)n(-c2ccc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001172108105 1137537043 /nfs/dbraw/zinc/53/70/43/1137537043.db2.gz PROBUIHRZWOFKD-NUZGMZIFSA-N 1 3 338.499 3.594 20 0 EHADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Br)cn1 ZINC001172112412 1137537547 /nfs/dbraw/zinc/53/75/47/1137537547.db2.gz VXFOAHWGMXYUES-NGFQHRJXSA-N 1 3 338.293 3.510 20 0 EHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172333649 1137551442 /nfs/dbraw/zinc/55/14/42/1137551442.db2.gz KFJQDWAJHIZFMF-IAGOWNOFSA-N 1 3 336.495 3.755 20 0 EHADHO COc1ccc(CC2(N)CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC001172371003 1137555364 /nfs/dbraw/zinc/55/53/64/1137555364.db2.gz SJHRZUSMGAQAJE-ZHALLVOQSA-N 1 3 330.516 3.856 20 0 EHADHO Brc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000872107387 1137571509 /nfs/dbraw/zinc/57/15/09/1137571509.db2.gz QBXLTCNGEHEUNK-DLBZAZTESA-N 1 3 349.316 3.697 20 0 EHADHO Brc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000872107387 1137571510 /nfs/dbraw/zinc/57/15/10/1137571510.db2.gz QBXLTCNGEHEUNK-DLBZAZTESA-N 1 3 349.316 3.697 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000873224268 1137594268 /nfs/dbraw/zinc/59/42/68/1137594268.db2.gz ZBQVVKVZBHSARM-NRFANRHFSA-N 1 3 340.515 3.592 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000873224268 1137594269 /nfs/dbraw/zinc/59/42/69/1137594269.db2.gz ZBQVVKVZBHSARM-NRFANRHFSA-N 1 3 340.515 3.592 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)c(-c2ccnn2C)c1 ZINC000873223327 1137594348 /nfs/dbraw/zinc/59/43/48/1137594348.db2.gz KNWLKFIGBYMMBG-OAQYLSRUSA-N 1 3 340.515 3.592 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)c(-c2ccnn2C)c1 ZINC000873223327 1137594349 /nfs/dbraw/zinc/59/43/49/1137594349.db2.gz KNWLKFIGBYMMBG-OAQYLSRUSA-N 1 3 340.515 3.592 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000873289488 1137596657 /nfs/dbraw/zinc/59/66/57/1137596657.db2.gz IMKDCJYGVJFGDX-JSGCOSHPSA-N 1 3 343.298 3.803 20 0 EHADHO CC[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000873294075 1137596722 /nfs/dbraw/zinc/59/67/22/1137596722.db2.gz SLNMZSZNOPLHPB-XJKSGUPXSA-N 1 3 340.870 3.679 20 0 EHADHO c1ccc(C(NC[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc2)cc1 ZINC000873292907 1137596776 /nfs/dbraw/zinc/59/67/76/1137596776.db2.gz WKSBMZDXWLALGK-HXUWFJFHSA-N 1 3 336.479 3.524 20 0 EHADHO C[NH+]1CCC2(CCCN(Cc3ccc4ccc(F)c(F)c4n3)C2)CC1 ZINC000877497079 1137678505 /nfs/dbraw/zinc/67/85/05/1137678505.db2.gz DSGOKEZCWHWLLL-UHFFFAOYSA-N 1 3 345.437 3.821 20 0 EHADHO CC(C)c1c[nH]c(CNCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000882944353 1137839210 /nfs/dbraw/zinc/83/92/10/1137839210.db2.gz DLWCNRONXHYBAZ-UHFFFAOYSA-N 1 3 332.517 3.596 20 0 EHADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195131 1137848142 /nfs/dbraw/zinc/84/81/42/1137848142.db2.gz LMLVNLVMJHKRCX-VAMGGRTRSA-N 1 3 334.479 3.756 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195131 1137848143 /nfs/dbraw/zinc/84/81/43/1137848143.db2.gz LMLVNLVMJHKRCX-VAMGGRTRSA-N 1 3 334.479 3.756 20 0 EHADHO Fc1cccc(/C=C\C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000886159985 1138054007 /nfs/dbraw/zinc/05/40/07/1138054007.db2.gz HNXIQERQSAZLIX-RQOWECAXSA-N 1 3 339.458 3.736 20 0 EHADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnn(C)c1 ZINC000886494967 1138083342 /nfs/dbraw/zinc/08/33/42/1138083342.db2.gz BOEMXBNIVNUCLB-OAQYLSRUSA-N 1 3 340.515 3.893 20 0 EHADHO COCC1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886627281 1138103778 /nfs/dbraw/zinc/10/37/78/1138103778.db2.gz XTRDXKXBGGMSBF-GBOYVHCVSA-N 1 3 342.527 3.834 20 0 EHADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C)cc1 ZINC000090937261 1138214236 /nfs/dbraw/zinc/21/42/36/1138214236.db2.gz WYBFYJXAIMSZMK-LJQANCHMSA-N 1 3 327.472 3.571 20 0 EHADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000123629468 1138272602 /nfs/dbraw/zinc/27/26/02/1138272602.db2.gz LVJDFIPHMKJANI-LJQANCHMSA-N 1 3 340.467 3.760 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(Cl)ccc1Cl ZINC000128642748 1138394914 /nfs/dbraw/zinc/39/49/14/1138394914.db2.gz JMUWNACXDDHHKC-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(Cl)ccc1Cl ZINC000128642748 1138394916 /nfs/dbraw/zinc/39/49/16/1138394916.db2.gz JMUWNACXDDHHKC-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@@H](C)O1 ZINC000337346122 1138539853 /nfs/dbraw/zinc/53/98/53/1138539853.db2.gz VVKONEWJUOTBCM-ANTGDGSKSA-N 1 3 345.531 3.587 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000177212605 1139604862 /nfs/dbraw/zinc/60/48/62/1139604862.db2.gz JCDGEDCRBVZGDP-GOSISDBHSA-N 1 3 325.500 3.518 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155551 1140017028 /nfs/dbraw/zinc/01/70/28/1140017028.db2.gz XGWPKTBSLCFYLG-WOZUAGRISA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268742264 1140980314 /nfs/dbraw/zinc/98/03/14/1140980314.db2.gz GMAIVJNXJQIARQ-ZDUSSCGKSA-N 1 3 342.405 3.905 20 0 EHADHO C[C@H](NCc1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268808285 1140996834 /nfs/dbraw/zinc/99/68/34/1140996834.db2.gz MZNRQYLZPHXAIG-AWEZNQCLSA-N 1 3 334.410 3.756 20 0 EHADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000268872289 1141015083 /nfs/dbraw/zinc/01/50/83/1141015083.db2.gz VRRCXKWOWCXHFL-QGZVFWFLSA-N 1 3 345.314 3.881 20 0 EHADHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268891080 1141018733 /nfs/dbraw/zinc/01/87/33/1141018733.db2.gz MRYQDOZDTHSGRT-WIYYLYMNSA-N 1 3 340.515 3.614 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000268981152 1141038113 /nfs/dbraw/zinc/03/81/13/1141038113.db2.gz HTEPYPQFZOZSOO-INIZCTEOSA-N 1 3 343.515 3.573 20 0 EHADHO c1ccc(N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)cc1 ZINC000269039791 1141053149 /nfs/dbraw/zinc/05/31/49/1141053149.db2.gz SZCVVQCSVJUJIZ-UHFFFAOYSA-N 1 3 341.543 3.900 20 0 EHADHO C[NH+](C)C1CCC(NCc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001168295243 1033547421 /nfs/dbraw/zinc/54/74/21/1033547421.db2.gz YHUXWAXKYHUFOU-UHFFFAOYSA-N 1 3 335.801 3.716 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424368 1014400404 /nfs/dbraw/zinc/40/04/04/1014400404.db2.gz YPQMQEFAGRXTTI-WBVHZDCISA-N 1 3 330.451 3.536 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000643545881 1014468350 /nfs/dbraw/zinc/46/83/50/1014468350.db2.gz DWFNVHYGICYRHW-IAGOWNOFSA-N 1 3 349.316 3.571 20 0 EHADHO CN(Cc1cnc(CCc2ccccc2)s1)CC1CC[NH+](C)CC1 ZINC000449023396 1032096252 /nfs/dbraw/zinc/09/62/52/1032096252.db2.gz QIBSCXPYXXETOA-UHFFFAOYSA-N 1 3 343.540 3.702 20 0 EHADHO COc1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449060054 1032101989 /nfs/dbraw/zinc/10/19/89/1032101989.db2.gz CIQYUQDBJJKSDA-GOSISDBHSA-N 1 3 338.495 3.880 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093268 1014989074 /nfs/dbraw/zinc/98/90/74/1014989074.db2.gz QEFCOJPUWURGBF-KCQAQPDRSA-N 1 3 330.394 3.761 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093268 1014989086 /nfs/dbraw/zinc/98/90/86/1014989086.db2.gz QEFCOJPUWURGBF-KCQAQPDRSA-N 1 3 330.394 3.761 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000375595798 1015172680 /nfs/dbraw/zinc/17/26/80/1015172680.db2.gz GDLCIBJDYAMKGP-VDZCTEQFSA-N 1 3 341.543 3.580 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000375595798 1015172686 /nfs/dbraw/zinc/17/26/86/1015172686.db2.gz GDLCIBJDYAMKGP-VDZCTEQFSA-N 1 3 341.543 3.580 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCN1C ZINC000155200259 1016298047 /nfs/dbraw/zinc/29/80/47/1016298047.db2.gz WVICIJAORVAGAR-QFBILLFUSA-N 1 3 349.950 3.624 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449072682 1032159849 /nfs/dbraw/zinc/15/98/49/1032159849.db2.gz GFZQRYKLZCAQCZ-CHWSQXEVSA-N 1 3 343.298 3.835 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000449072682 1032159864 /nfs/dbraw/zinc/15/98/64/1032159864.db2.gz GFZQRYKLZCAQCZ-CHWSQXEVSA-N 1 3 343.298 3.835 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2csc3ccccc23)CC1 ZINC000924657543 1032228443 /nfs/dbraw/zinc/22/84/43/1032228443.db2.gz HEUTTXDRELAIQU-INIZCTEOSA-N 1 3 331.529 3.580 20 0 EHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000183955162 1032246460 /nfs/dbraw/zinc/24/64/60/1032246460.db2.gz SWRUHWGWTGAZPP-KRWDZBQOSA-N 1 3 343.515 3.586 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000449239928 1032376317 /nfs/dbraw/zinc/37/63/17/1032376317.db2.gz LWVOVPSNIADTFM-ZSYZGHEHSA-N 1 3 342.527 3.834 20 0 EHADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000655721545 1017457935 /nfs/dbraw/zinc/45/79/35/1017457935.db2.gz PDAJDTYSVKZRJH-KRWDZBQOSA-N 1 3 328.504 3.743 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@@H]2CCCn3ccnc32)C[N@@H+]1Cc1ccccc1 ZINC000655738183 1017500082 /nfs/dbraw/zinc/50/00/82/1017500082.db2.gz SQVKHFMENASMDR-YZGWKJHDSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738183 1017500093 /nfs/dbraw/zinc/50/00/93/1017500093.db2.gz SQVKHFMENASMDR-YZGWKJHDSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000415075345 1017506778 /nfs/dbraw/zinc/50/67/78/1017506778.db2.gz BLKKMNPHUCNWIJ-KBPBESRZSA-N 1 3 337.305 3.601 20 0 EHADHO Brc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000415080030 1017521771 /nfs/dbraw/zinc/52/17/71/1017521771.db2.gz JABXQXMLYLDTRR-SUMWQHHRSA-N 1 3 337.305 3.880 20 0 EHADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000415087341 1017532253 /nfs/dbraw/zinc/53/22/53/1017532253.db2.gz STVBFNSORPDYBB-OKZBNKHCSA-N 1 3 335.561 3.641 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@H](C)C[C@H]3CCC[NH2+]3)s2)cs1 ZINC000415088773 1017536439 /nfs/dbraw/zinc/53/64/39/1017536439.db2.gz MLFYIDDTXAGWHG-TZMCWYRMSA-N 1 3 335.542 3.843 20 0 EHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CC1 ZINC000415099728 1017551305 /nfs/dbraw/zinc/55/13/05/1017551305.db2.gz HHHYETPGEIZELU-CJNGLKHVSA-N 1 3 337.305 3.601 20 0 EHADHO C[NH+](C)C1(CNCCC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000580029699 1018224290 /nfs/dbraw/zinc/22/42/90/1018224290.db2.gz RNMZMACENANELL-UHFFFAOYSA-N 1 3 337.895 3.523 20 0 EHADHO CC1(C)Cc2cc(CN3CCC(C[NH+]4CCCC4)CC3)ccc2O1 ZINC000513305403 1019513506 /nfs/dbraw/zinc/51/35/06/1019513506.db2.gz TTWAYAWWVMOFMP-UHFFFAOYSA-N 1 3 328.500 3.708 20 0 EHADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507498155 1021296287 /nfs/dbraw/zinc/29/62/87/1021296287.db2.gz UNSXVJDQEFCUSN-KJJMTIBFSA-N 1 3 344.543 3.674 20 0 EHADHO CCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000507483227 1021301419 /nfs/dbraw/zinc/30/14/19/1021301419.db2.gz GXXBKAGWTVAYKP-PCCBWWKXSA-N 1 3 342.527 3.693 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1O ZINC000426366716 1021391768 /nfs/dbraw/zinc/39/17/68/1021391768.db2.gz QSUAYCRLGXTFOF-DLBZAZTESA-N 1 3 334.504 3.576 20 0 EHADHO c1ccc(CN2CC[C@H](C[NH2+]Cc3nccc4ccccc43)C2)cc1 ZINC000684410275 1021659911 /nfs/dbraw/zinc/65/99/11/1021659911.db2.gz DAXLWJQKLPLMDR-LJQANCHMSA-N 1 3 331.463 3.847 20 0 EHADHO CC(C)OC(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000441150465 1022026823 /nfs/dbraw/zinc/02/68/23/1022026823.db2.gz YPHARJIDDWDZEW-UHFFFAOYSA-N 1 3 344.499 3.560 20 0 EHADHO C[NH2+]C[C@@H]1CCCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430668900 1022101442 /nfs/dbraw/zinc/10/14/42/1022101442.db2.gz SGZNOHAXTYBQFY-HNNXBMFYSA-N 1 3 344.421 3.796 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCc1ccc2ccccc2c1 ZINC000441261168 1022107586 /nfs/dbraw/zinc/10/75/86/1022107586.db2.gz HINQOONIZSZRDY-VSKRKVRLSA-N 1 3 338.495 3.566 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)CN(C)C ZINC000425946845 1022377243 /nfs/dbraw/zinc/37/72/43/1022377243.db2.gz QFRFPSQXEPIXNR-SMDDNHRTSA-N 1 3 343.334 3.773 20 0 EHADHO Cc1nc(C)c(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000471832921 1022473300 /nfs/dbraw/zinc/47/33/00/1022473300.db2.gz PLQLEQSSZDESPM-RBUKOAKNSA-N 1 3 343.540 3.932 20 0 EHADHO Oc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)C2 ZINC000894562726 1022553445 /nfs/dbraw/zinc/55/34/45/1022553445.db2.gz YDKITRUJSZKQSU-NRDMVMEKSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@@H](N[C@@H]1C[C@H]3C[C@@H](C1)[N@H+](Cc1ccccc1)C3)C2 ZINC000894562726 1022553450 /nfs/dbraw/zinc/55/34/50/1022553450.db2.gz YDKITRUJSZKQSU-NRDMVMEKSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@@H](N[C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562726 1022553461 /nfs/dbraw/zinc/55/34/61/1022553461.db2.gz YDKITRUJSZKQSU-NRDMVMEKSA-N 1 3 348.490 3.502 20 0 EHADHO Cc1cccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167975103 1022569395 /nfs/dbraw/zinc/56/93/95/1022569395.db2.gz HEVDNTQFOJNHQZ-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO Cc1cccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167975103 1022569400 /nfs/dbraw/zinc/56/94/00/1022569400.db2.gz HEVDNTQFOJNHQZ-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO CC[NH2+]CC1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000131509082 1022592491 /nfs/dbraw/zinc/59/24/91/1022592491.db2.gz NEMIEPUJQMMSHZ-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO COc1ccc(F)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000550174126 1022647766 /nfs/dbraw/zinc/64/77/66/1022647766.db2.gz CAPJPHBIKIYSDD-VQIMIIECSA-N 1 3 342.458 3.977 20 0 EHADHO Cc1ccc2c(CC[NH2+]C3CCN(C(C)(C)C)CC3)cn(C)c2c1 ZINC000188696578 1022864568 /nfs/dbraw/zinc/86/45/68/1022864568.db2.gz NAMMNBOBKPNNDD-UHFFFAOYSA-N 1 3 327.516 3.882 20 0 EHADHO C[C@H]1CNCC[C@@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000414941233 1022916090 /nfs/dbraw/zinc/91/60/90/1022916090.db2.gz LEHLVTMJPCHINJ-BTYIYWSLSA-N 1 3 344.449 3.706 20 0 EHADHO C[C@H]1C[NH2+]CC[C@@H]1NC(Cc1ccccc1F)Cc1ccccc1F ZINC000414941233 1022916100 /nfs/dbraw/zinc/91/61/00/1022916100.db2.gz LEHLVTMJPCHINJ-BTYIYWSLSA-N 1 3 344.449 3.706 20 0 EHADHO Fc1cccc(N2CCCC2)c1CNCCCCC[NH+]1CCCC1 ZINC000550263056 1022917064 /nfs/dbraw/zinc/91/70/64/1022917064.db2.gz UOKHOKZMSIMSQO-UHFFFAOYSA-N 1 3 333.495 3.782 20 0 EHADHO Clc1ccc(OCC2CC2)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430948085 1022935009 /nfs/dbraw/zinc/93/50/09/1022935009.db2.gz DLTSYUITIUIVFG-UHFFFAOYSA-N 1 3 334.891 3.704 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCc3cc(F)ccc32)C[C@@H](C)O1 ZINC000341679050 1022968118 /nfs/dbraw/zinc/96/81/18/1022968118.db2.gz AAVDLMGTRYVKLH-QINHECLXSA-N 1 3 334.479 3.682 20 0 EHADHO c1ccc([C@@H]2C[C@H](NCCOCC3CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639052323 1023171029 /nfs/dbraw/zinc/17/10/29/1023171029.db2.gz WPXVLLHPXCQGSO-CTNGQTDRSA-N 1 3 328.500 3.761 20 0 EHADHO c1ccc([C@@H]2C[C@H](NCCOCC3CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639052323 1023171033 /nfs/dbraw/zinc/17/10/33/1023171033.db2.gz WPXVLLHPXCQGSO-CTNGQTDRSA-N 1 3 328.500 3.761 20 0 EHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000438987695 1023194186 /nfs/dbraw/zinc/19/41/86/1023194186.db2.gz UUSAVYTVQJBTOC-AUUYWEPGSA-N 1 3 349.519 3.671 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000443656913 1024361074 /nfs/dbraw/zinc/36/10/74/1024361074.db2.gz LXPSVIJMIGUHOM-NVXWUHKLSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000443656913 1024361093 /nfs/dbraw/zinc/36/10/93/1024361093.db2.gz LXPSVIJMIGUHOM-NVXWUHKLSA-N 1 3 326.406 3.930 20 0 EHADHO C[C@@H]1C[C@@H](NCCc2nccs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006313 1024398230 /nfs/dbraw/zinc/39/82/30/1024398230.db2.gz NBXYDFZMHVTQKB-ALXJQNPVSA-N 1 3 329.513 3.717 20 0 EHADHO C[C@@H]1C[C@@H](NCCc2nccs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006313 1024398251 /nfs/dbraw/zinc/39/82/51/1024398251.db2.gz NBXYDFZMHVTQKB-ALXJQNPVSA-N 1 3 329.513 3.717 20 0 EHADHO Cc1ccc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)o1 ZINC000648419054 1024438962 /nfs/dbraw/zinc/43/89/62/1024438962.db2.gz HAAHDTXJSNHRNF-QGZVFWFLSA-N 1 3 326.484 3.816 20 0 EHADHO Cc1ccccc1-n1nccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000474259005 1024656630 /nfs/dbraw/zinc/65/66/30/1024656630.db2.gz NJMHNXIUORTSQE-UHFFFAOYSA-N 1 3 340.515 3.735 20 0 EHADHO CCN(Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435388373 1024872472 /nfs/dbraw/zinc/87/24/72/1024872472.db2.gz FSEFLZMBTFEPCN-HXUWFJFHSA-N 1 3 339.483 3.625 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2SC)[C@H](C)C1 ZINC000346605835 1024945094 /nfs/dbraw/zinc/94/50/94/1024945094.db2.gz JAYCFYGEATUPJO-AEFFLSMTSA-N 1 3 336.545 3.635 20 0 EHADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000414872862 1025099869 /nfs/dbraw/zinc/09/98/69/1025099869.db2.gz GJZOUGXUWYLMBY-MGOVIWOVSA-N 1 3 342.527 3.801 20 0 EHADHO C[C@H](Cc1cccnc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000897964327 1033260552 /nfs/dbraw/zinc/26/05/52/1033260552.db2.gz CDKJPYFKUBKAAE-YCZSINBZSA-N 1 3 335.495 3.655 20 0 EHADHO CC(C)[NH+]1CCC(NCCc2cnc(SC3CCCC3)nc2)CC1 ZINC000645503465 1025420367 /nfs/dbraw/zinc/42/03/67/1025420367.db2.gz YDVZHUGQUGZQFV-UHFFFAOYSA-N 1 3 348.560 3.516 20 0 EHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767388 1025480025 /nfs/dbraw/zinc/48/00/25/1025480025.db2.gz YMSBLRMJCVKPMC-QZTJIDSGSA-N 1 3 346.478 3.708 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC(N2CCCCC2)C1 ZINC000373519742 1025503156 /nfs/dbraw/zinc/50/31/56/1025503156.db2.gz GKJHPWMFBRUHEU-FTWXPCQCSA-N 1 3 341.543 3.504 20 0 EHADHO CC(C)[N@H+](C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)C(C)(C)CN ZINC001168041992 1025534188 /nfs/dbraw/zinc/53/41/88/1025534188.db2.gz XJWWZDRQNXGKIQ-ROUUACIJSA-N 1 3 331.548 3.876 20 0 EHADHO CC(C)[N@@H+](C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)C(C)(C)CN ZINC001168041992 1025534205 /nfs/dbraw/zinc/53/42/05/1025534205.db2.gz XJWWZDRQNXGKIQ-ROUUACIJSA-N 1 3 331.548 3.876 20 0 EHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCN1Cc1ccccc1 ZINC000530953020 1026441702 /nfs/dbraw/zinc/44/17/02/1026441702.db2.gz UQUZIHYDCZTVSU-QFBILLFUSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc3nc[nH]c3c2)CCN1Cc1ccccc1 ZINC000530953020 1026441709 /nfs/dbraw/zinc/44/17/09/1026441709.db2.gz UQUZIHYDCZTVSU-QFBILLFUSA-N 1 3 334.467 3.706 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140074 1026620978 /nfs/dbraw/zinc/62/09/78/1026620978.db2.gz HOPNEPUYLCIBPU-TZMCWYRMSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140074 1026620986 /nfs/dbraw/zinc/62/09/86/1026620986.db2.gz HOPNEPUYLCIBPU-TZMCWYRMSA-N 1 3 343.284 3.893 20 0 EHADHO CCOC(CCC[NH2+]C1CCN(C2CCCCC2)CC1)OCC ZINC000840876899 1026915755 /nfs/dbraw/zinc/91/57/55/1026915755.db2.gz QRRCBKNUFIQOMQ-UHFFFAOYSA-N 1 3 326.525 3.552 20 0 EHADHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000305768514 1026965746 /nfs/dbraw/zinc/96/57/46/1026965746.db2.gz KWTWPBAMFPKTGQ-GUDVDZBRSA-N 1 3 346.515 3.651 20 0 EHADHO c1ccc2c(CCNC3CC[NH+](C4CCCCC4)CC3)noc2c1 ZINC000657532664 1027009578 /nfs/dbraw/zinc/00/95/78/1027009578.db2.gz DVRHPINJGYVANY-UHFFFAOYSA-N 1 3 327.472 3.757 20 0 EHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000126667771 1027225597 /nfs/dbraw/zinc/22/55/97/1027225597.db2.gz LMQVQBSYHKYAIC-JOCHJYFZSA-N 1 3 337.511 3.675 20 0 EHADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453116693 1027391492 /nfs/dbraw/zinc/39/14/92/1027391492.db2.gz YIPPNCWGILRLJP-VAMGGRTRSA-N 1 3 341.524 3.984 20 0 EHADHO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(-n2ccnc2)cc1 ZINC000342820813 1027423060 /nfs/dbraw/zinc/42/30/60/1027423060.db2.gz ACTBWUDFRHURLH-OAHLLOKOSA-N 1 3 331.423 3.642 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000420325669 1027479874 /nfs/dbraw/zinc/47/98/74/1027479874.db2.gz WNPRFIRNPPUJPG-XLIONFOSSA-N 1 3 328.431 3.714 20 0 EHADHO CC[C@@H](C[N@H+](CC)CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000501960444 1027667239 /nfs/dbraw/zinc/66/72/39/1027667239.db2.gz YYFMVSPHJJLAMU-NRFANRHFSA-N 1 3 345.575 3.918 20 0 EHADHO CC[C@@H](C[N@@H+](CC)CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000501960444 1027667248 /nfs/dbraw/zinc/66/72/48/1027667248.db2.gz YYFMVSPHJJLAMU-NRFANRHFSA-N 1 3 345.575 3.918 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422702242 1027861334 /nfs/dbraw/zinc/86/13/34/1027861334.db2.gz KIIHUJSBJMZOCA-CVEARBPZSA-N 1 3 326.406 3.987 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422707451 1027865134 /nfs/dbraw/zinc/86/51/34/1027865134.db2.gz ABNQARSAEYXKGG-MDOVXXIYSA-N 1 3 330.447 3.834 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)c1ccccc1 ZINC000422731333 1027878543 /nfs/dbraw/zinc/87/85/43/1027878543.db2.gz LIBCGQPJHSWPCM-BVYCBKJFSA-N 1 3 339.527 3.618 20 0 EHADHO C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cnccc1N ZINC000422747466 1027915829 /nfs/dbraw/zinc/91/58/29/1027915829.db2.gz YTXYKWMFIMUXEN-QGZVFWFLSA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H]([NH2+]CCCCSc1ccccc1Br)C1CNC1 ZINC000422749919 1027917069 /nfs/dbraw/zinc/91/70/69/1027917069.db2.gz BLRSAQNUQKDADG-LBPRGKRZSA-N 1 3 343.334 3.519 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c2ccccc21 ZINC000422766072 1027944434 /nfs/dbraw/zinc/94/44/34/1027944434.db2.gz RKYUATVTJSIADC-BEVDRBHNSA-N 1 3 325.431 3.529 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000422799569 1027950968 /nfs/dbraw/zinc/95/09/68/1027950968.db2.gz XJRXDLUMMWSKML-STQMWFEESA-N 1 3 333.863 3.620 20 0 EHADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132903351 1027975956 /nfs/dbraw/zinc/97/59/56/1027975956.db2.gz ITPWBNKNKZYBDY-IRXDYDNUSA-N 1 3 348.556 3.950 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422838047 1027978417 /nfs/dbraw/zinc/97/84/17/1027978417.db2.gz NUDCDIYEIFXYFB-DJJJIMSYSA-N 1 3 327.497 3.530 20 0 EHADHO CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422929857 1028059018 /nfs/dbraw/zinc/05/90/18/1028059018.db2.gz AHCYVIJQMVHEMN-INDMIFKZSA-N 1 3 344.499 3.809 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422964026 1028079881 /nfs/dbraw/zinc/07/98/81/1028079881.db2.gz KFYTVPCUIZKMBV-FGZHOGPDSA-N 1 3 346.478 3.848 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(c2ccc(F)cc2F)CC1 ZINC000423012989 1028123960 /nfs/dbraw/zinc/12/39/60/1028123960.db2.gz LTBNRAMYIVSORT-LIRRHRJNSA-N 1 3 330.422 3.545 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000423026028 1028135302 /nfs/dbraw/zinc/13/53/02/1028135302.db2.gz MTUQCOQVZZNBKR-GDIGMMSISA-N 1 3 327.859 3.653 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102407 1028185678 /nfs/dbraw/zinc/18/56/78/1028185678.db2.gz KFIDCPGHVUNSCY-RYUDHWBXSA-N 1 3 343.334 3.649 20 0 EHADHO FC(F)(F)c1ccnc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423136501 1028220824 /nfs/dbraw/zinc/22/08/24/1028220824.db2.gz PGXHXTZERMNNDC-BRWVUGGUSA-N 1 3 341.421 3.543 20 0 EHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cc(C(F)(F)F)ccn1 ZINC000423137436 1028224031 /nfs/dbraw/zinc/22/40/31/1028224031.db2.gz QWHFBSZIQMMSRN-DZGCQCFKSA-N 1 3 329.410 3.543 20 0 EHADHO COc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1C ZINC000161783784 1028302561 /nfs/dbraw/zinc/30/25/61/1028302561.db2.gz HANBZAKTUXSGTL-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(N)CCC3)s2)cc1 ZINC000423323454 1028360269 /nfs/dbraw/zinc/36/02/69/1028360269.db2.gz JLVQNMOTGOSGMA-GFCCVEGCSA-N 1 3 331.485 3.659 20 0 EHADHO [NH3+]CCCCN[C@H](c1ccccc1)c1ccccc1Br ZINC000423326446 1028364358 /nfs/dbraw/zinc/36/43/58/1028364358.db2.gz MGQKWXQFLSKAPD-QGZVFWFLSA-N 1 3 333.273 3.867 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCSc3ccc(Br)cc32)C1 ZINC000423365978 1028392998 /nfs/dbraw/zinc/39/29/98/1028392998.db2.gz BITUASBVKCAHLE-BZPMIXESSA-N 1 3 341.318 3.846 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@H](C)N)CCC3)cc1 ZINC000423436037 1028444296 /nfs/dbraw/zinc/44/42/96/1028444296.db2.gz FERLZVTVDOTSGT-YWPYICTPSA-N 1 3 331.485 3.521 20 0 EHADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423466236 1028452100 /nfs/dbraw/zinc/45/21/00/1028452100.db2.gz NDFLVGFWCNSUBO-YHAQOWFVSA-N 1 3 336.277 3.633 20 0 EHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479458 1028462205 /nfs/dbraw/zinc/46/22/05/1028462205.db2.gz VHRCIEVOVRPASM-NHYWBVRUSA-N 1 3 336.277 3.635 20 0 EHADHO COc1ccc(OC)c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423506803 1028471821 /nfs/dbraw/zinc/47/18/21/1028471821.db2.gz PMNXQPDQJHMMDS-BEFAXECRSA-N 1 3 328.456 3.835 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1OC ZINC000246414788 1028480261 /nfs/dbraw/zinc/48/02/61/1028480261.db2.gz MSDSFSNGUXRXRC-XUVXKRRUSA-N 1 3 346.515 3.504 20 0 EHADHO CC(=O)Nc1cccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423510072 1028488389 /nfs/dbraw/zinc/48/83/89/1028488389.db2.gz RYZBMVWJDKOAQR-YWZLYKJASA-N 1 3 325.456 3.776 20 0 EHADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000236698021 1028565291 /nfs/dbraw/zinc/56/52/91/1028565291.db2.gz UBASNPLKGSCEQA-OAQYLSRUSA-N 1 3 341.543 3.530 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414776379 1028828719 /nfs/dbraw/zinc/82/87/19/1028828719.db2.gz HFJNDUJUKDBWRY-QWHCGFSZSA-N 1 3 343.334 3.641 20 0 EHADHO Cc1ccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424292876 1028934653 /nfs/dbraw/zinc/93/46/53/1028934653.db2.gz ONJYONTXZDQQSY-INIZCTEOSA-N 1 3 325.456 3.614 20 0 EHADHO C[C@@H]1CC2(CN1Cc1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424298062 1028939627 /nfs/dbraw/zinc/93/96/27/1028939627.db2.gz TVRJLILQZJQWKO-GFCCVEGCSA-N 1 3 341.268 3.552 20 0 EHADHO CCCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414810834 1029298571 /nfs/dbraw/zinc/29/85/71/1029298571.db2.gz OPISNEJPDBTWHS-OAHLLOKOSA-N 1 3 328.456 3.794 20 0 EHADHO FC(F)(F)c1cccc([C@H]2CSCCN2CC2CC[NH2+]CC2)c1 ZINC000262040405 1029555817 /nfs/dbraw/zinc/55/58/17/1029555817.db2.gz YFYZWHXOIIOTNE-MRXNPFEDSA-N 1 3 344.446 3.795 20 0 EHADHO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453240285 1029966910 /nfs/dbraw/zinc/96/69/10/1029966910.db2.gz VQOSKAFMFNNTAW-WSWWRLHASA-N 1 3 344.543 3.675 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCC(C)CC1 ZINC000481975450 1030142932 /nfs/dbraw/zinc/14/29/32/1030142932.db2.gz SFJCLAAGSIIZKL-TUNNFDKTSA-N 1 3 343.559 3.607 20 0 EHADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ncc(-c2ccccc2)n1C ZINC000453409427 1030219681 /nfs/dbraw/zinc/21/96/81/1030219681.db2.gz UDGNVHMZTYBOKM-INIZCTEOSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ncc(-c2ccccc2)n1C ZINC000453409427 1030219701 /nfs/dbraw/zinc/21/97/01/1030219701.db2.gz UDGNVHMZTYBOKM-INIZCTEOSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(OCC[NH+](C)C)cc1 ZINC000130243695 1030692147 /nfs/dbraw/zinc/69/21/47/1030692147.db2.gz RVXBSIFQCFAJDL-FOIQADDNSA-N 1 3 340.467 3.671 20 0 EHADHO C[NH+]1CCC(C)(CNCc2ccc(Br)c(F)c2F)CC1 ZINC000527692468 1031124800 /nfs/dbraw/zinc/12/48/00/1031124800.db2.gz SDFKTKXDWOGEHK-UHFFFAOYSA-N 1 3 347.247 3.549 20 0 EHADHO CCOC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000551258915 1031163991 /nfs/dbraw/zinc/16/39/91/1031163991.db2.gz LUOHIUNWERXMOF-PWRODBHTSA-N 1 3 342.527 3.836 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccc3cn(C)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000527762604 1031186691 /nfs/dbraw/zinc/18/66/91/1031186691.db2.gz KUNRVOQYYCAAIK-DYESRHJHSA-N 1 3 348.494 3.716 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccc3cn(C)nc3c2)CC[N@H+]1Cc1ccccc1 ZINC000527762604 1031186694 /nfs/dbraw/zinc/18/66/94/1031186694.db2.gz KUNRVOQYYCAAIK-DYESRHJHSA-N 1 3 348.494 3.716 20 0 EHADHO Brc1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657811471 1031242275 /nfs/dbraw/zinc/24/22/75/1031242275.db2.gz CUNWXGRQKMZLBA-UHFFFAOYSA-N 1 3 337.305 3.661 20 0 EHADHO Fc1cccc(N2CCCC2)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812979 1031340885 /nfs/dbraw/zinc/34/08/85/1031340885.db2.gz YJFBYIJBNKORKM-UHFFFAOYSA-N 1 3 345.506 3.638 20 0 EHADHO CC[C@H](C)c1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000527848928 1031367112 /nfs/dbraw/zinc/36/71/12/1031367112.db2.gz KOIZRRQMUUVHJK-OALUTQOASA-N 1 3 331.548 3.878 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194872428 1031579414 /nfs/dbraw/zinc/57/94/14/1031579414.db2.gz BJWXQCDEUNYCNX-BBWFWOEESA-N 1 3 336.545 3.949 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC)cc1 ZINC000178036530 1031610699 /nfs/dbraw/zinc/61/06/99/1031610699.db2.gz QHDQBBPSPXRANX-HLIPFELVSA-N 1 3 334.504 3.625 20 0 EHADHO CSCC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000595066198 1033644894 /nfs/dbraw/zinc/64/48/94/1033644894.db2.gz FTZPYQXEEFIIMZ-UHFFFAOYSA-N 1 3 347.572 3.805 20 0 EHADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2ccnc3ccccc23)cc1 ZINC000666922674 1033983565 /nfs/dbraw/zinc/98/35/65/1033983565.db2.gz LBTIPQZABUCWHP-QUCCMNQESA-N 1 3 349.453 3.857 20 0 EHADHO Cc1nc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)s1 ZINC000658166801 1034032721 /nfs/dbraw/zinc/03/27/21/1034032721.db2.gz PGLCNTDPQRBBDQ-AWEZNQCLSA-N 1 3 344.528 3.718 20 0 EHADHO Cc1nc([C@H](C)NCC2CC[NH+](Cc3ccncc3)CC2)c(C)s1 ZINC000658166801 1034032735 /nfs/dbraw/zinc/03/27/35/1034032735.db2.gz PGLCNTDPQRBBDQ-AWEZNQCLSA-N 1 3 344.528 3.718 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCC(F)(F)CC3)CC2)C1 ZINC000658321715 1034198988 /nfs/dbraw/zinc/19/89/88/1034198988.db2.gz BYJUKXCBJMWWBS-NVXWUHKLSA-N 1 3 344.490 3.560 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686673 1034277110 /nfs/dbraw/zinc/27/71/10/1034277110.db2.gz VGQUUMIGCCBAAR-HZEGPAAWSA-N 1 3 330.516 3.959 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC001167686673 1034277123 /nfs/dbraw/zinc/27/71/23/1034277123.db2.gz VGQUUMIGCCBAAR-HZEGPAAWSA-N 1 3 330.516 3.959 20 0 EHADHO CC1CCN(C[C@H](O)C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000596691583 1034353568 /nfs/dbraw/zinc/35/35/68/1034353568.db2.gz KQNCSSJHZWXIOF-JOCHJYFZSA-N 1 3 338.495 3.536 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2csc3ccccc23)C[C@H](C)O1 ZINC000062252929 1034785274 /nfs/dbraw/zinc/78/52/74/1034785274.db2.gz IYQMWVRPXPVABE-HOTGVXAUSA-N 1 3 332.513 3.880 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062165 1035423245 /nfs/dbraw/zinc/42/32/45/1035423245.db2.gz KZAFWGNURINNGY-ICSRJNTNSA-N 1 3 349.950 3.593 20 0 EHADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001168166226 1035670141 /nfs/dbraw/zinc/67/01/41/1035670141.db2.gz IADXFQCDHMMUOR-ATZDWAIDSA-N 1 3 336.907 3.504 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)c3cccnc3)CC2)C1 ZINC000414325297 1036688891 /nfs/dbraw/zinc/68/88/91/1036688891.db2.gz CPTFCJNYZXRFCM-YLJYHZDGSA-N 1 3 329.532 3.992 20 0 EHADHO C[NH+](C)CC1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000590125648 1036767161 /nfs/dbraw/zinc/76/71/61/1036767161.db2.gz ZHGQCNNUCNGDRX-UHFFFAOYSA-N 1 3 333.863 3.769 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)c2cccnc2)CC1 ZINC000414340998 1036785236 /nfs/dbraw/zinc/78/52/36/1036785236.db2.gz UURDCBXQXAXJRY-XLIONFOSSA-N 1 3 329.532 3.992 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532498856 1037545208 /nfs/dbraw/zinc/54/52/08/1037545208.db2.gz RYBYXILRSUPZNO-FPOVZHCZSA-N 1 3 332.532 3.838 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532498856 1037545221 /nfs/dbraw/zinc/54/52/21/1037545221.db2.gz RYBYXILRSUPZNO-FPOVZHCZSA-N 1 3 332.532 3.838 20 0 EHADHO FC1(F)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000628422252 1037548625 /nfs/dbraw/zinc/54/86/25/1037548625.db2.gz UMKNNNKZDJNSLU-UHFFFAOYSA-N 1 3 338.442 3.782 20 0 EHADHO CC(C)(C)OCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532538689 1037568809 /nfs/dbraw/zinc/56/88/09/1037568809.db2.gz VMGOLUHDJXVZTK-UXHICEINSA-N 1 3 330.516 3.788 20 0 EHADHO CC(C)(C)OCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532538689 1037568814 /nfs/dbraw/zinc/56/88/14/1037568814.db2.gz VMGOLUHDJXVZTK-UXHICEINSA-N 1 3 330.516 3.788 20 0 EHADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000540160384 1037617273 /nfs/dbraw/zinc/61/72/73/1037617273.db2.gz DGGZDEVXKUCPJZ-BHDDXSALSA-N 1 3 342.527 3.885 20 0 EHADHO C[C@H]1C[C@@H](NCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116836 1037785267 /nfs/dbraw/zinc/78/52/67/1037785267.db2.gz SFZZKTZMOWYWRX-RXVVDRJESA-N 1 3 337.511 3.895 20 0 EHADHO C[C@H]1C[C@@H](NCc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116836 1037785283 /nfs/dbraw/zinc/78/52/83/1037785283.db2.gz SFZZKTZMOWYWRX-RXVVDRJESA-N 1 3 337.511 3.895 20 0 EHADHO Cc1cc([C@H](NCCC2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000542473570 1037866202 /nfs/dbraw/zinc/86/62/02/1037866202.db2.gz LFNAXPPGQHOCKG-NRFANRHFSA-N 1 3 341.474 3.940 20 0 EHADHO COc1cc(C)c([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000123605116 1038044292 /nfs/dbraw/zinc/04/42/92/1038044292.db2.gz RLQAIWLJMNFGTJ-MRXNPFEDSA-N 1 3 342.483 3.925 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cnc3ccccn23)CC1)CC(C)C ZINC000539096344 1038682793 /nfs/dbraw/zinc/68/27/93/1038682793.db2.gz FCNZOVXGOOJJTL-UHFFFAOYSA-N 1 3 342.531 3.914 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cnc3ccccn23)CC1)CC(C)C ZINC000539096344 1038682797 /nfs/dbraw/zinc/68/27/97/1038682797.db2.gz FCNZOVXGOOJJTL-UHFFFAOYSA-N 1 3 342.531 3.914 20 0 EHADHO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCNC1 ZINC000569971510 1038847393 /nfs/dbraw/zinc/84/73/93/1038847393.db2.gz DPDYJFUKFSJSCV-GOSISDBHSA-N 1 3 340.515 3.721 20 0 EHADHO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCNC1 ZINC000569971510 1038847421 /nfs/dbraw/zinc/84/74/21/1038847421.db2.gz DPDYJFUKFSJSCV-GOSISDBHSA-N 1 3 340.515 3.721 20 0 EHADHO COc1cc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c(F)cn1 ZINC000554087573 1038896245 /nfs/dbraw/zinc/89/62/45/1038896245.db2.gz WRPJZROXVDPALC-KLAILNCOSA-N 1 3 349.494 3.923 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363919827 1038940466 /nfs/dbraw/zinc/94/04/66/1038940466.db2.gz HKJJJIOWMWCQGH-KZNAEPCWSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363919827 1038940480 /nfs/dbraw/zinc/94/04/80/1038940480.db2.gz HKJJJIOWMWCQGH-KZNAEPCWSA-N 1 3 343.515 3.744 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000552253705 1039133889 /nfs/dbraw/zinc/13/38/89/1039133889.db2.gz QMEDCSLBTQELQQ-GUDVDZBRSA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000552253705 1039133901 /nfs/dbraw/zinc/13/39/01/1039133901.db2.gz QMEDCSLBTQELQQ-GUDVDZBRSA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000552253705 1039133912 /nfs/dbraw/zinc/13/39/12/1039133912.db2.gz QMEDCSLBTQELQQ-GUDVDZBRSA-N 1 3 346.515 3.837 20 0 EHADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000552336378 1039209666 /nfs/dbraw/zinc/20/96/66/1039209666.db2.gz BDIHIQJXKCETPB-JBACZVJFSA-N 1 3 329.532 3.504 20 0 EHADHO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000480158980 1039246748 /nfs/dbraw/zinc/24/67/48/1039246748.db2.gz AURMXTGDIZQSLG-MRXNPFEDSA-N 1 3 328.378 3.648 20 0 EHADHO C[C@H]1CN(CC2CC[NH+](CCCc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000489133865 1039659316 /nfs/dbraw/zinc/65/93/16/1039659316.db2.gz DPGUDCYREFSEBL-ROUUACIJSA-N 1 3 348.506 3.580 20 0 EHADHO CC1(C)CC[C@@H](CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562047 1039700346 /nfs/dbraw/zinc/70/03/46/1039700346.db2.gz IMAOLGNPJGRKNO-UNMCSNQZSA-N 1 3 342.527 3.932 20 0 EHADHO CC1(C)CC[C@@H](CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562047 1039700360 /nfs/dbraw/zinc/70/03/60/1039700360.db2.gz IMAOLGNPJGRKNO-UNMCSNQZSA-N 1 3 342.527 3.932 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000480737990 1039952236 /nfs/dbraw/zinc/95/22/36/1039952236.db2.gz INFAGMOYPIBKEH-RTWAWAEBSA-N 1 3 344.474 3.862 20 0 EHADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512649931 1040395286 /nfs/dbraw/zinc/39/52/86/1040395286.db2.gz VPSYSIBHWDSMAQ-PCCBWWKXSA-N 1 3 330.516 3.692 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC000555510862 1040718336 /nfs/dbraw/zinc/71/83/36/1040718336.db2.gz FEQCKGPELOLXRD-OALUTQOASA-N 1 3 338.536 3.600 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000555563446 1040836802 /nfs/dbraw/zinc/83/68/02/1040836802.db2.gz BSXUBYQHGZRUPF-FCHUYYIVSA-N 1 3 342.527 3.812 20 0 EHADHO CCC(CC)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555612324 1040911899 /nfs/dbraw/zinc/91/18/99/1040911899.db2.gz LDNFQOHNDIKWRV-OAQYLSRUSA-N 1 3 344.543 3.941 20 0 EHADHO Cc1ncccc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364444134 1041308761 /nfs/dbraw/zinc/30/87/61/1041308761.db2.gz VIJPFRGTHYBQFU-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1ncccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364444134 1041308773 /nfs/dbraw/zinc/30/87/73/1041308773.db2.gz VIJPFRGTHYBQFU-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO C[C@H]([NH2+]Cc1cc2cnccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000651756458 1041998852 /nfs/dbraw/zinc/99/88/52/1041998852.db2.gz YDMWGOJRUXRXML-WMZOPIPTSA-N 1 3 335.451 3.828 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549544160 1042069172 /nfs/dbraw/zinc/06/91/72/1042069172.db2.gz OKHPCZVFYJIFFQ-QEUPLWARSA-N 1 3 330.516 3.658 20 0 EHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H](C3CC3)C3CCOCC3)CC2)C1 ZINC000651928343 1042202160 /nfs/dbraw/zinc/20/21/60/1042202160.db2.gz DFEKCFYFABQAGI-HBGVWJBISA-N 1 3 334.548 3.824 20 0 EHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000643467728 1042942975 /nfs/dbraw/zinc/94/29/75/1042942975.db2.gz XJDNHAVKGHNORG-PMACEKPBSA-N 1 3 348.494 3.834 20 0 EHADHO CC(C)C[C@@H](NCc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000343956546 1042947122 /nfs/dbraw/zinc/94/71/22/1042947122.db2.gz ACJZAEYPCHUJQC-HXUWFJFHSA-N 1 3 341.499 3.899 20 0 EHADHO C[NH+](C)CCOc1cnccc1CN[C@@H]1CCCCc2ccccc21 ZINC000343992035 1043069408 /nfs/dbraw/zinc/06/94/08/1043069408.db2.gz QYLLGNDNTQPFFU-HXUWFJFHSA-N 1 3 339.483 3.579 20 0 EHADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420560 1043147737 /nfs/dbraw/zinc/14/77/37/1043147737.db2.gz KZVYEWMVJKECOI-KXBFYZLASA-N 1 3 340.458 3.752 20 0 EHADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420560 1043147742 /nfs/dbraw/zinc/14/77/42/1043147742.db2.gz KZVYEWMVJKECOI-KXBFYZLASA-N 1 3 340.458 3.752 20 0 EHADHO CCSc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450493 1043291753 /nfs/dbraw/zinc/29/17/53/1043291753.db2.gz XGGBZOOIJHQAMJ-SJORKVTESA-N 1 3 336.545 3.950 20 0 EHADHO CCSc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432450493 1043291758 /nfs/dbraw/zinc/29/17/58/1043291758.db2.gz XGGBZOOIJHQAMJ-SJORKVTESA-N 1 3 336.545 3.950 20 0 EHADHO CCN(CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344492 1126923647 /nfs/dbraw/zinc/92/36/47/1126923647.db2.gz OXDDXWIKXRDAOO-ICSRJNTNSA-N 1 3 347.547 3.541 20 0 EHADHO CCN(CC)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344492 1126923651 /nfs/dbraw/zinc/92/36/51/1126923651.db2.gz OXDDXWIKXRDAOO-ICSRJNTNSA-N 1 3 347.547 3.541 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374976 1126938253 /nfs/dbraw/zinc/93/82/53/1126938253.db2.gz XQIHKVPDSXQYPB-ZIAGYGMSSA-N 1 3 344.421 3.935 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374976 1126938257 /nfs/dbraw/zinc/93/82/57/1126938257.db2.gz XQIHKVPDSXQYPB-ZIAGYGMSSA-N 1 3 344.421 3.935 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000623441151 1126956278 /nfs/dbraw/zinc/95/62/78/1126956278.db2.gz FRMFHIKVUBFFHT-MISYRCLQSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@H]1C[C@@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@@H+]1C ZINC000180440943 1127155882 /nfs/dbraw/zinc/15/58/82/1127155882.db2.gz TWYBYVSHSBAGCS-BBRMVZONSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@H]1C[C@@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@H+]1C ZINC000180440943 1127155886 /nfs/dbraw/zinc/15/58/86/1127155886.db2.gz TWYBYVSHSBAGCS-BBRMVZONSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120340 1127256038 /nfs/dbraw/zinc/25/60/38/1127256038.db2.gz WPJFGJUHRKWASH-NVXWUHKLSA-N 1 3 340.458 3.931 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(F)cc(Br)c1 ZINC000181527317 1127281665 /nfs/dbraw/zinc/28/16/65/1127281665.db2.gz UMKUAVWISSOJSQ-MLGOLLRUSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368566025 1127416654 /nfs/dbraw/zinc/41/66/54/1127416654.db2.gz GPQNYCMGGOVJAU-IHPCNDPISA-N 1 3 336.479 3.663 20 0 EHADHO COc1ccc(OCCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000185758849 1127431366 /nfs/dbraw/zinc/43/13/66/1127431366.db2.gz FUVOFRWECQSSPN-ROUUACIJSA-N 1 3 346.515 3.707 20 0 EHADHO c1ccc(Oc2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)nc1 ZINC000921556521 1127729402 /nfs/dbraw/zinc/72/94/02/1127729402.db2.gz ISFMOKVQHUFTHC-UHFFFAOYSA-N 1 3 337.467 3.838 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)s1 ZINC000623656879 1128451987 /nfs/dbraw/zinc/45/19/87/1128451987.db2.gz DOEXVYZRMLGNRT-RYUDHWBXSA-N 1 3 331.323 3.893 20 0 EHADHO C[NH+](C)CCC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000056522303 1128562648 /nfs/dbraw/zinc/56/26/48/1128562648.db2.gz QWYIMXAZPSINML-UHFFFAOYSA-N 1 3 331.435 3.644 20 0 EHADHO CC(C)[C@@H](C[NH2+]C1CCN(C(C)C)CC1)N1CCc2ccccc2C1 ZINC000542909018 1128830920 /nfs/dbraw/zinc/83/09/20/1128830920.db2.gz WTANHPCACSINBG-JOCHJYFZSA-N 1 3 343.559 3.532 20 0 EHADHO Nc1c(Cl)cccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001648964874 1120283734 /nfs/dbraw/zinc/28/37/34/1120283734.db2.gz FGTROLAUTMKQOI-QGZVFWFLSA-N 1 3 343.902 3.924 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@@H](O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465179 1120532406 /nfs/dbraw/zinc/53/24/06/1120532406.db2.gz AOCTZTUQJGVYKJ-IAGOWNOFSA-N 1 3 346.437 3.693 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000191465600 1120674500 /nfs/dbraw/zinc/67/45/00/1120674500.db2.gz BCLYFJYWIUJJAS-OAQYLSRUSA-N 1 3 335.580 3.837 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000191465600 1120674502 /nfs/dbraw/zinc/67/45/02/1120674502.db2.gz BCLYFJYWIUJJAS-OAQYLSRUSA-N 1 3 335.580 3.837 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000062252841 1122258284 /nfs/dbraw/zinc/25/82/84/1122258284.db2.gz MOOMJDGCBIYDHZ-KBPBESRZSA-N 1 3 345.314 3.972 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC000127850414 1122510979 /nfs/dbraw/zinc/51/09/79/1122510979.db2.gz HAEQCHOTDMQMRC-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053814 1122795432 /nfs/dbraw/zinc/79/54/32/1122795432.db2.gz YJRHQILZBCIWCH-SNRMKQJTSA-N 1 3 338.451 3.901 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053814 1122795436 /nfs/dbraw/zinc/79/54/36/1122795436.db2.gz YJRHQILZBCIWCH-SNRMKQJTSA-N 1 3 338.451 3.901 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556238604 1122891229 /nfs/dbraw/zinc/89/12/29/1122891229.db2.gz CEYFMDZTZQSUSO-FNAHDJPLSA-N 1 3 342.527 3.692 20 0 EHADHO Fc1ccc(SCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134875727 1123560411 /nfs/dbraw/zinc/56/04/11/1123560411.db2.gz ZFUIDVWPFSLXEC-BEFAXECRSA-N 1 3 334.504 3.867 20 0 EHADHO Fc1ccc(SCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134875727 1123560413 /nfs/dbraw/zinc/56/04/13/1123560413.db2.gz ZFUIDVWPFSLXEC-BEFAXECRSA-N 1 3 334.504 3.867 20 0 EHADHO COCC[N@H+](C)CCCC1CCN(c2ccnc3ccccc32)CC1 ZINC000499642350 1129138580 /nfs/dbraw/zinc/13/85/80/1129138580.db2.gz RTUATGBUHOAUNY-UHFFFAOYSA-N 1 3 341.499 3.810 20 0 EHADHO COCC[N@@H+](C)CCCC1CCN(c2ccnc3ccccc32)CC1 ZINC000499642350 1129138581 /nfs/dbraw/zinc/13/85/81/1129138581.db2.gz RTUATGBUHOAUNY-UHFFFAOYSA-N 1 3 341.499 3.810 20 0 EHADHO CC(C)CCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245646675 1123908535 /nfs/dbraw/zinc/90/85/35/1123908535.db2.gz BSUGIVGNHRTIJD-WKCHPHFGSA-N 1 3 330.516 3.834 20 0 EHADHO CC(C)CCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245646675 1123908538 /nfs/dbraw/zinc/90/85/38/1123908538.db2.gz BSUGIVGNHRTIJD-WKCHPHFGSA-N 1 3 330.516 3.834 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000246963843 1124574066 /nfs/dbraw/zinc/57/40/66/1124574066.db2.gz IYJAZFGFMHPFON-IXDOHACOSA-N 1 3 330.472 3.973 20 0 EHADHO COc1ccc(C)cc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247126066 1124591128 /nfs/dbraw/zinc/59/11/28/1124591128.db2.gz VCSRBIKXISBFOI-BZSNNMDCSA-N 1 3 334.504 3.544 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247943305 1124630961 /nfs/dbraw/zinc/63/09/61/1124630961.db2.gz GRBLICLRYSAJOJ-DZFGPLHGSA-N 1 3 330.516 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247943305 1124630965 /nfs/dbraw/zinc/63/09/65/1124630965.db2.gz GRBLICLRYSAJOJ-DZFGPLHGSA-N 1 3 330.516 3.791 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCc3ccc(C)cc32)[C@@H](C)C1 ZINC000248185129 1124645292 /nfs/dbraw/zinc/64/52/92/1124645292.db2.gz XDSORJNOPUWRCV-YYWHXJBOSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3ccc(C)cc32)[C@@H](C)C1 ZINC000248185129 1124645295 /nfs/dbraw/zinc/64/52/95/1124645295.db2.gz XDSORJNOPUWRCV-YYWHXJBOSA-N 1 3 330.516 3.709 20 0 EHADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248881411 1124712233 /nfs/dbraw/zinc/71/22/33/1124712233.db2.gz OVXROCKBDLRLSX-NJDAHSKKSA-N 1 3 344.543 3.939 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2cccnc2)ccc1OC ZINC000182332359 1125258001 /nfs/dbraw/zinc/25/80/01/1125258001.db2.gz INGJNSOAMUFNTO-QGZVFWFLSA-N 1 3 341.499 3.825 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000067227108 1129257536 /nfs/dbraw/zinc/25/75/36/1129257536.db2.gz GTVXGEAJVGBMOZ-UHFFFAOYSA-N 1 3 333.520 3.651 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000067227108 1129257537 /nfs/dbraw/zinc/25/75/37/1129257537.db2.gz GTVXGEAJVGBMOZ-UHFFFAOYSA-N 1 3 333.520 3.651 20 0 EHADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cc(-n2ccnc2)cs1 ZINC000543173047 1129312674 /nfs/dbraw/zinc/31/26/74/1129312674.db2.gz ZEVBIZLIJKITKC-APWZRJJASA-N 1 3 346.544 3.924 20 0 EHADHO CC1(C)CCc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2O1 ZINC000731676941 1130831254 /nfs/dbraw/zinc/83/12/54/1130831254.db2.gz FSQSKKQMFMWJIE-UHFFFAOYSA-N 1 3 328.500 3.754 20 0 EHADHO Cc1c(F)cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206004496 1132691123 /nfs/dbraw/zinc/69/11/23/1132691123.db2.gz SQMGWJQVXJLYKH-RISCZKNCSA-N 1 3 343.284 3.703 20 0 EHADHO FC(F)(F)C1CCC(CN2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC001176105508 1132847710 /nfs/dbraw/zinc/84/77/10/1132847710.db2.gz MCUSSGHHLAOPCS-UHFFFAOYSA-N 1 3 348.453 3.588 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC001177541802 1133079524 /nfs/dbraw/zinc/07/95/24/1133079524.db2.gz DDZVITRWKKRZLX-ZDUSSCGKSA-N 1 3 345.712 3.924 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000769483177 1133287341 /nfs/dbraw/zinc/28/73/41/1133287341.db2.gz GUPUBRGFAZLLHD-WBMJQRKESA-N 1 3 346.544 3.779 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000769483177 1133287345 /nfs/dbraw/zinc/28/73/45/1133287345.db2.gz GUPUBRGFAZLLHD-WBMJQRKESA-N 1 3 346.544 3.779 20 0 EHADHO CC[N@H+](CCCN1CCCC1)Cc1cc(C)c(C2OCCO2)cc1C ZINC001181504959 1133494790 /nfs/dbraw/zinc/49/47/90/1133494790.db2.gz BGQFTHSEXIDPJV-UHFFFAOYSA-N 1 3 346.515 3.657 20 0 EHADHO CC[N@@H+](CCCN1CCCC1)Cc1cc(C)c(C2OCCO2)cc1C ZINC001181504959 1133494793 /nfs/dbraw/zinc/49/47/93/1133494793.db2.gz BGQFTHSEXIDPJV-UHFFFAOYSA-N 1 3 346.515 3.657 20 0 EHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCCCC2 ZINC001183094874 1133768490 /nfs/dbraw/zinc/76/84/90/1133768490.db2.gz LYKQDAZYOAAYBQ-XUVXKRRUSA-N 1 3 334.548 3.826 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)ccc1OC ZINC000775422320 1134770642 /nfs/dbraw/zinc/77/06/42/1134770642.db2.gz LUVZWHXHGRUISH-BXWFABGCSA-N 1 3 334.504 3.755 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)ccc1OC ZINC000775422331 1134770968 /nfs/dbraw/zinc/77/09/68/1134770968.db2.gz LUVZWHXHGRUISH-JTDSTZFVSA-N 1 3 334.504 3.755 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCC2(O)CCC2)cc1CN1CCCCC1 ZINC000793567058 1134958663 /nfs/dbraw/zinc/95/86/63/1134958663.db2.gz XBMCPDGAOJNZQB-KRWDZBQOSA-N 1 3 346.515 3.637 20 0 EHADHO c1ccc(C[NH2+]C2CCN(CC3([C@H]4CCCCO4)CCC3)CC2)cc1 ZINC001194525054 1135282182 /nfs/dbraw/zinc/28/21/82/1135282182.db2.gz IAPMVGGURANGSK-OAQYLSRUSA-N 1 3 342.527 3.980 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000775635153 1135365125 /nfs/dbraw/zinc/36/51/25/1135365125.db2.gz YLTJQXABLMVOKJ-IXDOHACOSA-N 1 3 329.488 3.708 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1CN1CCCCC1 ZINC000810256516 1135949432 /nfs/dbraw/zinc/94/94/32/1135949432.db2.gz BGFKZTMRETYWPE-IKGGRYGDSA-N 1 3 334.504 3.755 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850443087 1136259822 /nfs/dbraw/zinc/25/98/22/1136259822.db2.gz JVHPMBCKPFCDTK-FGTMMUONSA-N 1 3 346.515 3.552 20 0 EHADHO O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21 ZINC000850528879 1136279551 /nfs/dbraw/zinc/27/95/51/1136279551.db2.gz NUBIXVBHAVJOFU-KMMOIWBLSA-N 1 3 348.490 3.950 20 0 EHADHO Cc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000817894765 1136843607 /nfs/dbraw/zinc/84/36/07/1136843607.db2.gz ODBWPDKWBPBSPU-GMBSWORKSA-N 1 3 328.481 3.963 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893946 1136844013 /nfs/dbraw/zinc/84/40/13/1136844013.db2.gz JJJCRUZQSZNTRT-VLIAUNLRSA-N 1 3 341.499 3.530 20 0 EHADHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819043108 1136901499 /nfs/dbraw/zinc/90/14/99/1136901499.db2.gz PJGPPFGTNWPFRL-QGZVFWFLSA-N 1 3 344.421 3.593 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000819078552 1136911334 /nfs/dbraw/zinc/91/13/34/1136911334.db2.gz JQDBCPVDTACUEL-IERDGZPVSA-N 1 3 342.458 3.674 20 0 EHADHO C[NH+](C)CC[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000819079409 1136911737 /nfs/dbraw/zinc/91/17/37/1136911737.db2.gz AABSIQREPGZRBB-HOTGVXAUSA-N 1 3 346.437 3.695 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170968291 1137032958 /nfs/dbraw/zinc/03/29/58/1137032958.db2.gz CODNODDXGHJSJY-QFBILLFUSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170968291 1137032960 /nfs/dbraw/zinc/03/29/60/1137032960.db2.gz CODNODDXGHJSJY-QFBILLFUSA-N 1 3 326.459 3.780 20 0 EHADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171408923 1137474448 /nfs/dbraw/zinc/47/44/48/1137474448.db2.gz AMEQBDDIFYXVLZ-IBGZPJMESA-N 1 3 330.491 3.927 20 0 EHADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716619063 1137487569 /nfs/dbraw/zinc/48/75/69/1137487569.db2.gz BARQSGMKIZYSQN-KPACCLEDSA-N 1 3 328.500 3.587 20 0 EHADHO C[NH+]1C(C)(C)CC(NCCc2ccc(C(F)(F)F)nc2)CC1(C)C ZINC001171613825 1137500758 /nfs/dbraw/zinc/50/07/58/1137500758.db2.gz QSDPCHJAPLGVGB-UHFFFAOYSA-N 1 3 343.437 3.884 20 0 EHADHO Cc1cccnc1N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171623004 1137501094 /nfs/dbraw/zinc/50/10/94/1137501094.db2.gz GIOIVHLZENLUBJ-UHFFFAOYSA-N 1 3 344.547 3.600 20 0 EHADHO CN1C(C)(C)CC([NH2+]C2CCN(c3ccccc3)CC2)CC1(C)C ZINC001171622868 1137501137 /nfs/dbraw/zinc/50/11/37/1137501137.db2.gz ATZOBPNAUASNBI-UHFFFAOYSA-N 1 3 329.532 3.896 20 0 EHADHO CN1C(C)(C)CC([NH2+]CC2(c3ccccc3)CCOCC2)CC1(C)C ZINC001171626892 1137501322 /nfs/dbraw/zinc/50/13/22/1137501322.db2.gz GEEWVFJYGLGALG-UHFFFAOYSA-N 1 3 344.543 3.976 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636030 1137504317 /nfs/dbraw/zinc/50/43/17/1137504317.db2.gz CYNFABIKZYEYFB-SFHVURJKSA-N 1 3 334.479 3.930 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636030 1137504318 /nfs/dbraw/zinc/50/43/18/1137504318.db2.gz CYNFABIKZYEYFB-SFHVURJKSA-N 1 3 334.479 3.930 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CC[C@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636030 1137504319 /nfs/dbraw/zinc/50/43/19/1137504319.db2.gz CYNFABIKZYEYFB-SFHVURJKSA-N 1 3 334.479 3.930 20 0 EHADHO CCOC(=O)C1(C)CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001171943979 1137521908 /nfs/dbraw/zinc/52/19/08/1137521908.db2.gz ILDKQZLXEUYNEV-FQVISZRSSA-N 1 3 346.515 3.595 20 0 EHADHO CCOC(=O)C1(C)CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001171943979 1137521909 /nfs/dbraw/zinc/52/19/09/1137521909.db2.gz ILDKQZLXEUYNEV-FQVISZRSSA-N 1 3 346.515 3.595 20 0 EHADHO CC1(C)C[C@H]([NH2+]CC2(F)CCOCC2)CCN1Cc1ccccc1 ZINC001171972867 1137524264 /nfs/dbraw/zinc/52/42/64/1137524264.db2.gz TUIJKNFILRLBQT-GOSISDBHSA-N 1 3 334.479 3.538 20 0 EHADHO CC1(C)C[C@H](NCCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171977105 1137525108 /nfs/dbraw/zinc/52/51/08/1137525108.db2.gz XHNOSNDBOXGJPD-UXHICEINSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@H](NCCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977105 1137525109 /nfs/dbraw/zinc/52/51/09/1137525109.db2.gz XHNOSNDBOXGJPD-UXHICEINSA-N 1 3 346.515 3.562 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104911 1137536525 /nfs/dbraw/zinc/53/65/25/1137536525.db2.gz FARJPUUTWGWHFR-DCXXXQMHSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104911 1137536527 /nfs/dbraw/zinc/53/65/27/1137536527.db2.gz FARJPUUTWGWHFR-DCXXXQMHSA-N 1 3 346.490 3.898 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001172106879 1137537069 /nfs/dbraw/zinc/53/70/69/1137537069.db2.gz QRTSFHYQAGQANK-BTTYYORXSA-N 1 3 346.368 3.829 20 0 EHADHO COc1cccc(CC2(N)CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)c1 ZINC001172368494 1137555136 /nfs/dbraw/zinc/55/51/36/1137555136.db2.gz ISTWOMIPBAHNHV-JENIJYKNSA-N 1 3 330.516 3.856 20 0 EHADHO CC[NH+]1CCC(N[C@H]2CCCCc3cc(OC)c(OC)cc32)CC1 ZINC000872019447 1137564904 /nfs/dbraw/zinc/56/49/04/1137564904.db2.gz XCQLKFATMPANOS-SFHVURJKSA-N 1 3 332.488 3.545 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000872154856 1137574005 /nfs/dbraw/zinc/57/40/05/1137574005.db2.gz CKBSZWXJVLIOHQ-KRWDZBQOSA-N 1 3 333.520 3.896 20 0 EHADHO Cc1cccc(-c2n[nH]cc2CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873222846 1137594253 /nfs/dbraw/zinc/59/42/53/1137594253.db2.gz CYKXQENLHNTHLO-FQEVSTJZSA-N 1 3 326.488 3.582 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)CN1CCCCC1 ZINC000125638422 1137639433 /nfs/dbraw/zinc/63/94/33/1137639433.db2.gz AFJIYERAYVFFON-MSOLQXFVSA-N 1 3 343.515 3.586 20 0 EHADHO Cc1oncc1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000878816388 1137728972 /nfs/dbraw/zinc/72/89/72/1137728972.db2.gz XVEUYTRCVGTOML-UHFFFAOYSA-N 1 3 339.483 3.861 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc1CN1CCCCC1 ZINC000883271148 1137851730 /nfs/dbraw/zinc/85/17/30/1137851730.db2.gz GRZAEDZLFZHFEW-MBOZVWFJSA-N 1 3 346.515 3.757 20 0 EHADHO Oc1ccccc1CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886521257 1138089365 /nfs/dbraw/zinc/08/93/65/1138089365.db2.gz XLYSOKAOQYLRBJ-JBACZVJFSA-N 1 3 336.479 3.577 20 0 EHADHO Oc1ccccc1CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886521257 1138089367 /nfs/dbraw/zinc/08/93/67/1138089367.db2.gz XLYSOKAOQYLRBJ-JBACZVJFSA-N 1 3 336.479 3.577 20 0 EHADHO Oc1ccccc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886521257 1138089369 /nfs/dbraw/zinc/08/93/69/1138089369.db2.gz XLYSOKAOQYLRBJ-JBACZVJFSA-N 1 3 336.479 3.577 20 0 EHADHO COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886532222 1138091106 /nfs/dbraw/zinc/09/11/06/1138091106.db2.gz GFPSIOOZLFUCFA-LEAZDLGRSA-N 1 3 330.516 3.833 20 0 EHADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3nccs3)CC2)cc1 ZINC000093403273 1138237512 /nfs/dbraw/zinc/23/75/12/1138237512.db2.gz NBJBVMSUYQOFTH-OAHLLOKOSA-N 1 3 345.512 3.715 20 0 EHADHO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000125755645 1138315593 /nfs/dbraw/zinc/31/55/93/1138315593.db2.gz HPWBNUVODISDTQ-DLBZAZTESA-N 1 3 334.504 3.783 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152164035 1139077324 /nfs/dbraw/zinc/07/73/24/1139077324.db2.gz WEFXZJZOWPCFBW-BFHYXJOUSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152164035 1139077327 /nfs/dbraw/zinc/07/73/27/1139077327.db2.gz WEFXZJZOWPCFBW-BFHYXJOUSA-N 1 3 330.394 3.545 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000195446547 1140638943 /nfs/dbraw/zinc/63/89/43/1140638943.db2.gz GCYNQMCBHDIEGE-RBUKOAKNSA-N 1 3 336.907 3.506 20 0 EHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000268761495 1140986023 /nfs/dbraw/zinc/98/60/23/1140986023.db2.gz HJYAKGZOBAOEBF-MRXNPFEDSA-N 1 3 340.467 3.508 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(CO)c1 ZINC000270414787 1141220551 /nfs/dbraw/zinc/22/05/51/1141220551.db2.gz CXAYYJZFLFENRZ-QGZVFWFLSA-N 1 3 326.484 3.870 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(CO)c1 ZINC000270414787 1141220556 /nfs/dbraw/zinc/22/05/56/1141220556.db2.gz CXAYYJZFLFENRZ-QGZVFWFLSA-N 1 3 326.484 3.870 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCC1([NH+]2CCCC2)CCOCC1 ZINC000271151939 1141315473 /nfs/dbraw/zinc/31/54/73/1141315473.db2.gz QJSFXUKCAZBRBX-IEBWSBKVSA-N 1 3 328.500 3.778 20 0 EHADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn2ccccc2n1 ZINC000550886577 370700818 /nfs/dbraw/zinc/70/08/18/370700818.db2.gz IBZRVLSGJJRDBS-KSZLIROESA-N 1 3 328.504 3.743 20 0 EHADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2ccccc2n1 ZINC000550886577 370700822 /nfs/dbraw/zinc/70/08/22/370700822.db2.gz IBZRVLSGJJRDBS-KSZLIROESA-N 1 3 328.504 3.743 20 0 EHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)N(C)C[C@H]2C)nc1 ZINC001164637884 719250891 /nfs/dbraw/zinc/25/08/91/719250891.db2.gz XCJBIJNAMXEZMU-ZHALLVOQSA-N 1 3 330.520 3.547 20 0 EHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)N(C)C[C@H]2C)nc1 ZINC001164637884 719250894 /nfs/dbraw/zinc/25/08/94/719250894.db2.gz XCJBIJNAMXEZMU-ZHALLVOQSA-N 1 3 330.520 3.547 20 0 EHADHO C[N@@H+](Cc1cc2cccnc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000449028075 1032061334 /nfs/dbraw/zinc/06/13/34/1032061334.db2.gz NQYHUUWMVBMCAT-GOSISDBHSA-N 1 3 335.451 3.782 20 0 EHADHO C[N@H+](Cc1cc2cccnc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000449028075 1032061354 /nfs/dbraw/zinc/06/13/54/1032061354.db2.gz NQYHUUWMVBMCAT-GOSISDBHSA-N 1 3 335.451 3.782 20 0 EHADHO CCC(CC)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000430140580 1014169252 /nfs/dbraw/zinc/16/92/52/1014169252.db2.gz OWBBYSRUURHFAY-XUVXKRRUSA-N 1 3 330.516 3.692 20 0 EHADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000584199748 1031923156 /nfs/dbraw/zinc/92/31/56/1031923156.db2.gz VXNCRFHUZDLINH-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000584199748 1031923187 /nfs/dbraw/zinc/92/31/87/1031923187.db2.gz VXNCRFHUZDLINH-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO CC[N@@H+]1CCC[C@H]1CNCc1ccnc2c(Br)cccc12 ZINC000449059065 1032102618 /nfs/dbraw/zinc/10/26/18/1032102618.db2.gz OLIDQUWWHQAYPK-AWEZNQCLSA-N 1 3 348.288 3.571 20 0 EHADHO CC[N@H+]1CCC[C@H]1CNCc1ccnc2c(Br)cccc12 ZINC000449059065 1032102628 /nfs/dbraw/zinc/10/26/28/1032102628.db2.gz OLIDQUWWHQAYPK-AWEZNQCLSA-N 1 3 348.288 3.571 20 0 EHADHO C[N@@H+]1CCC[C@H](CN2CCC3(CC2)OC(C)(C)c2ccccc23)C1 ZINC001208612280 1015070793 /nfs/dbraw/zinc/07/07/93/1015070793.db2.gz MBUBXTIMDLTPJX-KRWDZBQOSA-N 1 3 328.500 3.585 20 0 EHADHO C[N@H+]1CCC[C@H](CN2CCC3(CC2)OC(C)(C)c2ccccc23)C1 ZINC001208612280 1015070800 /nfs/dbraw/zinc/07/08/00/1015070800.db2.gz MBUBXTIMDLTPJX-KRWDZBQOSA-N 1 3 328.500 3.585 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)CC1 ZINC000154319238 1015364831 /nfs/dbraw/zinc/36/48/31/1015364831.db2.gz OAIFMMJNZGYKQV-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000155203917 1016300736 /nfs/dbraw/zinc/30/07/36/1016300736.db2.gz QWDBOPHHBCHCHP-MAUKXSAKSA-N 1 3 336.907 3.567 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2NCc3ccccc32)c1 ZINC000659291566 1016466554 /nfs/dbraw/zinc/46/65/54/1016466554.db2.gz HQMCPYQNDIKMRQ-FQEVSTJZSA-N 1 3 337.467 3.702 20 0 EHADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(C(=O)OC)cc1 ZINC000340173728 1016582910 /nfs/dbraw/zinc/58/29/10/1016582910.db2.gz NJCBDXYBMAKUOR-IBGZPJMESA-N 1 3 332.488 3.634 20 0 EHADHO Fc1cccc(F)c1-c1ncc(C[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000449074291 1032159715 /nfs/dbraw/zinc/15/97/15/1032159715.db2.gz KFTISZFCUOHFEG-GFCCVEGCSA-N 1 3 349.450 3.662 20 0 EHADHO Cc1n[nH]cc1CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449073977 1032162152 /nfs/dbraw/zinc/16/21/52/1032162152.db2.gz KBHITZSUFKULBR-UHFFFAOYSA-N 1 3 334.552 3.920 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657838857 1032180175 /nfs/dbraw/zinc/18/01/75/1032180175.db2.gz ZOOMGBKQGSWUSF-PXNSSMCTSA-N 1 3 328.500 3.862 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657838857 1032180180 /nfs/dbraw/zinc/18/01/80/1032180180.db2.gz ZOOMGBKQGSWUSF-PXNSSMCTSA-N 1 3 328.500 3.862 20 0 EHADHO Cc1ncc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)s1 ZINC000449131874 1032226027 /nfs/dbraw/zinc/22/60/27/1032226027.db2.gz QAXJJTXYKHSJIO-HNNXBMFYSA-N 1 3 329.513 3.637 20 0 EHADHO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000183954135 1032246539 /nfs/dbraw/zinc/24/65/39/1032246539.db2.gz AUOIUWXILGOVFC-QGZVFWFLSA-N 1 3 326.488 3.645 20 0 EHADHO CC[C@H](COCC(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449379661 1032506277 /nfs/dbraw/zinc/50/62/77/1032506277.db2.gz JGOZJFAKOVXTFZ-CQSZACIVSA-N 1 3 336.442 3.731 20 0 EHADHO CC[C@H](COCC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449379661 1032506281 /nfs/dbraw/zinc/50/62/81/1032506281.db2.gz JGOZJFAKOVXTFZ-CQSZACIVSA-N 1 3 336.442 3.731 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090521002 1032583227 /nfs/dbraw/zinc/58/32/27/1032583227.db2.gz PMKGWWNPXBKELU-BVYCBKJFSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000090521002 1032583239 /nfs/dbraw/zinc/58/32/39/1032583239.db2.gz PMKGWWNPXBKELU-BVYCBKJFSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ncsc1CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449468897 1032585474 /nfs/dbraw/zinc/58/54/74/1032585474.db2.gz RKSUANBEHNXYQB-INIZCTEOSA-N 1 3 343.540 3.679 20 0 EHADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449488788 1032645334 /nfs/dbraw/zinc/64/53/34/1032645334.db2.gz LDVBOUUSOMCJBW-FUPPJEDESA-N 1 3 349.522 3.823 20 0 EHADHO Cc1nc(CNCC2CC[NH+](Cc3cccs3)CC2)sc1C ZINC000892752323 1017325337 /nfs/dbraw/zinc/32/53/37/1017325337.db2.gz GJWOTDLVSKWHQK-UHFFFAOYSA-N 1 3 335.542 3.823 20 0 EHADHO COc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc(Cl)c1OC ZINC000415044230 1017453060 /nfs/dbraw/zinc/45/30/60/1017453060.db2.gz BMUQEEDSVWYADH-KRWDZBQOSA-N 1 3 348.874 3.927 20 0 EHADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000415075493 1017505059 /nfs/dbraw/zinc/50/50/59/1017505059.db2.gz BLKKMNPHUCNWIJ-ZIAGYGMSSA-N 1 3 337.305 3.601 20 0 EHADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CC1 ZINC000415099730 1017552207 /nfs/dbraw/zinc/55/22/07/1017552207.db2.gz HHHYETPGEIZELU-XJKSGUPXSA-N 1 3 337.305 3.601 20 0 EHADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415107445 1017561644 /nfs/dbraw/zinc/56/16/44/1017561644.db2.gz OUFUFNLLDUUGRX-BBRMVZONSA-N 1 3 326.406 3.857 20 0 EHADHO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123278239 1018233732 /nfs/dbraw/zinc/23/37/32/1018233732.db2.gz ODYWZVDTICEATR-BBRMVZONSA-N 1 3 333.863 3.910 20 0 EHADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123278239 1018233736 /nfs/dbraw/zinc/23/37/36/1018233736.db2.gz ODYWZVDTICEATR-BBRMVZONSA-N 1 3 333.863 3.910 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5Cc6ccccc6[C@@H]54)[C@H]3C2)cc1 ZINC000562901857 1032758917 /nfs/dbraw/zinc/75/89/17/1032758917.db2.gz JATSMKCHSMZGTG-HXRIWQBCSA-N 1 3 344.502 3.825 20 0 EHADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3ccc4cnccc4c3)C2)cc1 ZINC000683769859 1018457929 /nfs/dbraw/zinc/45/79/29/1018457929.db2.gz OSRMIFFXRMEHSX-OAQYLSRUSA-N 1 3 345.490 3.889 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340583109 1018586724 /nfs/dbraw/zinc/58/67/24/1018586724.db2.gz GFKFYGGYRPNIIP-GOEBONIOSA-N 1 3 345.314 3.927 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340583106 1018587616 /nfs/dbraw/zinc/58/76/16/1018587616.db2.gz GFKFYGGYRPNIIP-GDBMZVCRSA-N 1 3 345.314 3.927 20 0 EHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933181 1019164235 /nfs/dbraw/zinc/16/42/35/1019164235.db2.gz BOBWWEIZNNBGMY-XMTFNYHQSA-N 1 3 346.540 3.602 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000092587296 1032833541 /nfs/dbraw/zinc/83/35/41/1032833541.db2.gz RZNTZIZXCHVOEQ-RPHTVSPISA-N 1 3 342.527 3.611 20 0 EHADHO C[C@@H](Cc1cnn(C)c1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449584386 1032851982 /nfs/dbraw/zinc/85/19/82/1032851982.db2.gz JRVQSAUYOHXPSX-INIZCTEOSA-N 1 3 334.552 3.620 20 0 EHADHO FC(F)(F)C1CC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000580733026 1019930601 /nfs/dbraw/zinc/93/06/01/1019930601.db2.gz QXWWSIJJKXKFJJ-VVLHZNOGSA-N 1 3 338.417 3.828 20 0 EHADHO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N(CC)CC ZINC000345849788 1020555234 /nfs/dbraw/zinc/55/52/34/1020555234.db2.gz QVSHRRAQWPJGBQ-IBGZPJMESA-N 1 3 331.504 3.731 20 0 EHADHO C[NH+](C)CCC1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135120315 1020780090 /nfs/dbraw/zinc/78/00/90/1020780090.db2.gz XMQDYZJGUXSNTC-KRWDZBQOSA-N 1 3 345.314 3.691 20 0 EHADHO Cc1ccc(CC[N@@H+](CC[C@@H]2CCCN2C)C[C@@H]2CCCO2)cc1 ZINC001167461852 1020906255 /nfs/dbraw/zinc/90/62/55/1020906255.db2.gz UAQGSWGZRHYZNV-SFTDATJTSA-N 1 3 330.516 3.503 20 0 EHADHO Cc1ccc(CC[N@H+](CC[C@@H]2CCCN2C)C[C@@H]2CCCO2)cc1 ZINC001167461852 1020906258 /nfs/dbraw/zinc/90/62/58/1020906258.db2.gz UAQGSWGZRHYZNV-SFTDATJTSA-N 1 3 330.516 3.503 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558282 1032971364 /nfs/dbraw/zinc/97/13/64/1032971364.db2.gz KMAJYJBGFQVJIX-PKOBYXMFSA-N 1 3 344.499 3.676 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602558282 1032971382 /nfs/dbraw/zinc/97/13/82/1032971382.db2.gz KMAJYJBGFQVJIX-PKOBYXMFSA-N 1 3 344.499 3.676 20 0 EHADHO C[C@H](C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CC1CCOCC1 ZINC000415005072 1021750811 /nfs/dbraw/zinc/75/08/11/1021750811.db2.gz OSMHZBGJBYUQMV-NBHGPNQESA-N 1 3 348.506 3.561 20 0 EHADHO c1ccc(CSCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167968554 1022259395 /nfs/dbraw/zinc/25/93/95/1022259395.db2.gz RHRVUWXTCCJEFS-IHWFROFDSA-N 1 3 330.541 3.915 20 0 EHADHO c1ccc(CSCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968554 1022259403 /nfs/dbraw/zinc/25/94/03/1022259403.db2.gz RHRVUWXTCCJEFS-IHWFROFDSA-N 1 3 330.541 3.915 20 0 EHADHO CC(C)N1CCC([N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000506341735 1022961696 /nfs/dbraw/zinc/96/16/96/1022961696.db2.gz QMXZUBRBXDXQEJ-UHFFFAOYSA-N 1 3 343.284 3.893 20 0 EHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000506341735 1022961710 /nfs/dbraw/zinc/96/17/10/1022961710.db2.gz QMXZUBRBXDXQEJ-UHFFFAOYSA-N 1 3 343.284 3.893 20 0 EHADHO CCN(CC)c1ccc(/C=[NH+]/C2CC(C)(C)[NH2+]C(C)(C)C2)c([O-])c1 ZINC000022726872 1023205895 /nfs/dbraw/zinc/20/58/95/1023205895.db2.gz WIEGVPUHMNSNJK-KGENOOAVSA-N 1 3 331.504 3.967 20 0 EHADHO CC[NH+](CC)Cc1cc([C@H](C)NC2CC(F)(F)C2)ccc1OC ZINC000760037173 1023266041 /nfs/dbraw/zinc/26/60/41/1023266041.db2.gz IGNGFBPIHIPJSW-ZDUSSCGKSA-N 1 3 326.431 3.985 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565124 1023451691 /nfs/dbraw/zinc/45/16/91/1023451691.db2.gz VKMYSSCBDJMYRE-WWDZGPRUSA-N 1 3 338.536 3.597 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000092665376 1023477315 /nfs/dbraw/zinc/47/73/15/1023477315.db2.gz KFHAUTJITHVZIN-KDURUIRLSA-N 1 3 335.580 3.693 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000092665376 1023477319 /nfs/dbraw/zinc/47/73/19/1023477319.db2.gz KFHAUTJITHVZIN-KDURUIRLSA-N 1 3 335.580 3.693 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000535811337 1023651005 /nfs/dbraw/zinc/65/10/05/1023651005.db2.gz HDOZIOVWEDWQQO-UHFFFAOYSA-N 1 3 344.478 3.768 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000535811337 1023651011 /nfs/dbraw/zinc/65/10/11/1023651011.db2.gz HDOZIOVWEDWQQO-UHFFFAOYSA-N 1 3 344.478 3.768 20 0 EHADHO CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168005898 1024376863 /nfs/dbraw/zinc/37/68/63/1024376863.db2.gz KTMIFNRMNNCBHQ-YHELAOLJSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@@H]1CC([NH2+]Cc2ccc(F)nc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168030375 1024578053 /nfs/dbraw/zinc/57/80/53/1024578053.db2.gz VJCPRAUHDTWKID-HZPDHXFCSA-N 1 3 327.447 3.752 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccccn4)[C@H]3C2)cc1 ZINC000428213325 1025051398 /nfs/dbraw/zinc/05/13/98/1025051398.db2.gz RNLBLRSFCREILG-ACIOBRDBSA-N 1 3 349.522 3.905 20 0 EHADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428242446 1025153635 /nfs/dbraw/zinc/15/36/35/1025153635.db2.gz SRWDSCYLZSUPLP-FNAHDJPLSA-N 1 3 344.543 3.674 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767386 1025479368 /nfs/dbraw/zinc/47/93/68/1025479368.db2.gz YMSBLRMJCVKPMC-MSOLQXFVSA-N 1 3 346.478 3.708 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1OC ZINC000474822620 1025516924 /nfs/dbraw/zinc/51/69/24/1025516924.db2.gz PSKXQUMORVSDBG-CYGHRXIMSA-N 1 3 334.504 3.658 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436308542 1025588951 /nfs/dbraw/zinc/58/89/51/1025588951.db2.gz QEVWLFXWYJGLGN-OAQYLSRUSA-N 1 3 343.559 3.707 20 0 EHADHO CCCn1nccc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000657398051 1025924506 /nfs/dbraw/zinc/92/45/06/1025924506.db2.gz HWUVCWQPJRUQEH-WGMWDUQUSA-N 1 3 340.515 3.539 20 0 EHADHO C[C@@H]1CC(N2CC3(C2)CCOCC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168052416 1025967769 /nfs/dbraw/zinc/96/77/69/1025967769.db2.gz KTLOPGUURRKWGD-QZTJIDSGSA-N 1 3 328.500 3.540 20 0 EHADHO C1C[C@H]([C@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)CO1 ZINC000474049274 1026068421 /nfs/dbraw/zinc/06/84/21/1026068421.db2.gz XCTDKCONXIAYSG-IOMROCGXSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+][C@@H]1CCNC1 ZINC000414890337 1026102079 /nfs/dbraw/zinc/10/20/79/1026102079.db2.gz UXXUNENEXFNUEL-LTKRDWJDSA-N 1 3 340.511 3.568 20 0 EHADHO C[C@@H]1CC(N(C)CCc2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055967 1026112915 /nfs/dbraw/zinc/11/29/15/1026112915.db2.gz ZGHXZGISNXQGES-RTBURBONSA-N 1 3 337.511 3.998 20 0 EHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)CC[NH3+])cc1 ZINC000414890249 1026118907 /nfs/dbraw/zinc/11/89/07/1026118907.db2.gz HFAXECGIASERRY-KRWDZBQOSA-N 1 3 334.467 3.675 20 0 EHADHO c1c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[nH]nc1-c1ccccc1 ZINC000475219592 1026398175 /nfs/dbraw/zinc/39/81/75/1026398175.db2.gz KDVFQBQAVJKHCK-IBGZPJMESA-N 1 3 346.478 3.688 20 0 EHADHO Fc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000475270110 1026432379 /nfs/dbraw/zinc/43/23/79/1026432379.db2.gz OUTJDHSRTLVKJN-SFHVURJKSA-N 1 3 349.453 3.986 20 0 EHADHO Fc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000475270110 1026432387 /nfs/dbraw/zinc/43/23/87/1026432387.db2.gz OUTJDHSRTLVKJN-SFHVURJKSA-N 1 3 349.453 3.986 20 0 EHADHO c1cc2c(cccc2CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000475329432 1026480885 /nfs/dbraw/zinc/48/08/85/1026480885.db2.gz LTOCESPPNRGQBT-BGYRXZFFSA-N 1 3 331.463 3.732 20 0 EHADHO c1cc2c(cccc2CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000475329432 1026480892 /nfs/dbraw/zinc/48/08/92/1026480892.db2.gz LTOCESPPNRGQBT-BGYRXZFFSA-N 1 3 331.463 3.732 20 0 EHADHO C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)C[C@H](C)N1Cc1ccccc1 ZINC001168065146 1026628087 /nfs/dbraw/zinc/62/80/87/1026628087.db2.gz UDHGRSLLIRLVFV-NBMJBFSESA-N 1 3 348.531 3.957 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N(CC)CC ZINC000531285333 1026757366 /nfs/dbraw/zinc/75/73/66/1026757366.db2.gz VTNCGDNBYBQQOI-FQEVSTJZSA-N 1 3 345.531 3.774 20 0 EHADHO Cc1ccc2nccc(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000302140486 1027067769 /nfs/dbraw/zinc/06/77/69/1027067769.db2.gz DPYNHTNQMNYMKA-UHFFFAOYSA-N 1 3 339.483 3.624 20 0 EHADHO Cc1cccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272845558 1027143211 /nfs/dbraw/zinc/14/32/11/1027143211.db2.gz SAJWWOAHHIMPDM-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272845558 1027143221 /nfs/dbraw/zinc/14/32/21/1027143221.db2.gz SAJWWOAHHIMPDM-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845558 1027143230 /nfs/dbraw/zinc/14/32/30/1027143230.db2.gz SAJWWOAHHIMPDM-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO COc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1C ZINC000273063112 1027251638 /nfs/dbraw/zinc/25/16/38/1027251638.db2.gz LURSXLCIUHNLTD-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453072439 1027287246 /nfs/dbraw/zinc/28/72/46/1027287246.db2.gz YAIRACACVPHROH-BHDDXSALSA-N 1 3 335.495 3.923 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccncn1 ZINC000453110707 1027379567 /nfs/dbraw/zinc/37/95/67/1027379567.db2.gz OAUYWFHWZSNLRR-HNNXBMFYSA-N 1 3 344.890 3.693 20 0 EHADHO Clc1cccc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000420373555 1027497518 /nfs/dbraw/zinc/49/75/18/1027497518.db2.gz MMIVWXDMZALKSG-KXBFYZLASA-N 1 3 329.875 3.804 20 0 EHADHO CC(C)(C)[C@@H](C[NH3+])NCCOC(c1ccccc1)c1ccccc1 ZINC000420372554 1027497904 /nfs/dbraw/zinc/49/79/04/1027497904.db2.gz YFNFJSGZWFBTDX-LJQANCHMSA-N 1 3 326.484 3.756 20 0 EHADHO Nc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382875 1027506258 /nfs/dbraw/zinc/50/62/58/1027506258.db2.gz YWMWUZMHRIONBB-IRLDBZIGSA-N 1 3 335.495 3.755 20 0 EHADHO Nc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382875 1027506269 /nfs/dbraw/zinc/50/62/69/1027506269.db2.gz YWMWUZMHRIONBB-IRLDBZIGSA-N 1 3 335.495 3.755 20 0 EHADHO CCC1(CN[C@H](C)c2ccncn2)CC[NH+](Cc2ccccc2)CC1 ZINC000453186076 1027508892 /nfs/dbraw/zinc/50/88/92/1027508892.db2.gz WONYOPZWEVCVAC-GOSISDBHSA-N 1 3 338.499 3.820 20 0 EHADHO Cn1c2ccccc2nc1[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420410171 1027527302 /nfs/dbraw/zinc/52/73/02/1027527302.db2.gz RDUSYNBDMGVGOW-LAUBAEHRSA-N 1 3 348.494 3.642 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000459345788 1027756457 /nfs/dbraw/zinc/75/64/57/1027756457.db2.gz DGIPOMPEOZZLFY-UHFFFAOYSA-N 1 3 345.556 3.583 20 0 EHADHO Cc1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000342875219 1027821026 /nfs/dbraw/zinc/82/10/26/1027821026.db2.gz VIVMBZMUSPDALH-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000342875219 1027821049 /nfs/dbraw/zinc/82/10/49/1027821049.db2.gz VIVMBZMUSPDALH-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459350712 1027825018 /nfs/dbraw/zinc/82/50/18/1027825018.db2.gz IPDYSXOUDJOYDD-UHFFFAOYSA-N 1 3 341.543 3.554 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NC[C@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC000422731418 1027879106 /nfs/dbraw/zinc/87/91/06/1027879106.db2.gz LPKMDUSXOLEOEU-KZNAEPCWSA-N 1 3 327.497 3.619 20 0 EHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000422736163 1027881328 /nfs/dbraw/zinc/88/13/28/1027881328.db2.gz XOKCILYWYNAWDC-KZNAEPCWSA-N 1 3 335.561 3.785 20 0 EHADHO C[C@@H]1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261831695 1027903006 /nfs/dbraw/zinc/90/30/06/1027903006.db2.gz JEMIQNRNSUURSM-JLTOFOAXSA-N 1 3 330.422 3.766 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCSc1ccc(Cl)cc1 ZINC000422761857 1027907289 /nfs/dbraw/zinc/90/72/89/1027907289.db2.gz HTZQLYFMQWABPS-GFCCVEGCSA-N 1 3 335.904 3.945 20 0 EHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422777427 1027933412 /nfs/dbraw/zinc/93/34/12/1027933412.db2.gz FVZVFXWDAGFETG-BBRMVZONSA-N 1 3 337.305 3.588 20 0 EHADHO Cc1cc(C)c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422786889 1027938354 /nfs/dbraw/zinc/93/83/54/1027938354.db2.gz TVJCDJCIMQYHTG-IFMALSPDSA-N 1 3 336.479 3.957 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268774529 1027940778 /nfs/dbraw/zinc/94/07/78/1027940778.db2.gz GISHMDZYDCBAHI-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268774529 1027940784 /nfs/dbraw/zinc/94/07/84/1027940784.db2.gz GISHMDZYDCBAHI-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO c1ccc([C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422803580 1027953944 /nfs/dbraw/zinc/95/39/44/1027953944.db2.gz JFVAEJJZGWFTFG-ILWGZMRPSA-N 1 3 334.463 3.983 20 0 EHADHO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422802376 1027954539 /nfs/dbraw/zinc/95/45/39/1027954539.db2.gz BGRUUNZXLLAIMR-DQLDELGASA-N 1 3 339.483 3.728 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2cccnc21 ZINC000422791474 1027965378 /nfs/dbraw/zinc/96/53/78/1027965378.db2.gz YPFXHOUDIVFOAL-SIKLNZKXSA-N 1 3 345.446 3.580 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422851558 1027991801 /nfs/dbraw/zinc/99/18/01/1027991801.db2.gz XEPGMMKRCKRGOT-CQSZACIVSA-N 1 3 327.447 3.760 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1OC ZINC000502241708 1027992675 /nfs/dbraw/zinc/99/26/75/1027992675.db2.gz NMWSVHBSJXNUHL-FUHWJXTLSA-N 1 3 348.531 3.655 20 0 EHADHO Cc1ccccc1C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422878972 1028012976 /nfs/dbraw/zinc/01/29/76/1028012976.db2.gz LPDAGVOPEVTABZ-NHCUHLMSSA-N 1 3 336.479 3.778 20 0 EHADHO Cc1ccc(OCCCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422894971 1028054053 /nfs/dbraw/zinc/05/40/53/1028054053.db2.gz DTLLWKVAHDIKTL-INIZCTEOSA-N 1 3 327.472 3.667 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000422983961 1028111732 /nfs/dbraw/zinc/11/17/32/1028111732.db2.gz WBBNQCBZQKCHSA-HNNXBMFYSA-N 1 3 341.499 3.876 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011918 1028124011 /nfs/dbraw/zinc/12/40/11/1028124011.db2.gz JQDDZAJBODASBI-DYVFJYSZSA-N 1 3 349.931 3.984 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000423020702 1028130216 /nfs/dbraw/zinc/13/02/16/1028130216.db2.gz CRFQSUNJELNZBB-RQUSPXKASA-N 1 3 345.849 3.792 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000423026030 1028135728 /nfs/dbraw/zinc/13/57/28/1028135728.db2.gz MTUQCOQVZZNBKR-NIKGAXFTSA-N 1 3 327.859 3.653 20 0 EHADHO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423056860 1028154066 /nfs/dbraw/zinc/15/40/66/1028154066.db2.gz YVICDAHDVOJARI-WMLDXEAASA-N 1 3 339.483 3.628 20 0 EHADHO C[C@@H](NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1C[NH2+]C1 ZINC000423072643 1028161407 /nfs/dbraw/zinc/16/14/07/1028161407.db2.gz PZUQAIFYVYSASP-SNVBAGLBSA-N 1 3 332.797 3.588 20 0 EHADHO C[C@@H](NCC(C)(C)c1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000423127937 1028193515 /nfs/dbraw/zinc/19/35/15/1028193515.db2.gz CMRYZSAIHWXKJR-SNVBAGLBSA-N 1 3 345.712 3.578 20 0 EHADHO NC1(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCCCC1 ZINC000423185014 1028230934 /nfs/dbraw/zinc/23/09/34/1028230934.db2.gz UMCQLTNYFQWHSB-MSOLQXFVSA-N 1 3 336.907 3.681 20 0 EHADHO C[C@@H]1CCCC[C@H]1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414725030 1028296362 /nfs/dbraw/zinc/29/63/62/1028296362.db2.gz UOEATQOFEWUVRF-IXDOHACOSA-N 1 3 333.545 3.914 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2sc(Br)cc21 ZINC000423286168 1028325680 /nfs/dbraw/zinc/32/56/80/1028325680.db2.gz ZTDRVFZIWVDDCY-MVWJERBFSA-N 1 3 329.307 3.605 20 0 EHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000504024037 1028326728 /nfs/dbraw/zinc/32/67/28/1028326728.db2.gz IZHBUYIZVASNPM-HXUWFJFHSA-N 1 3 343.515 3.876 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cc(-c3ccccc3)nn2C)cc1 ZINC000423293430 1028328548 /nfs/dbraw/zinc/32/85/48/1028328548.db2.gz RIDJOTJLGKNILU-HZPDHXFCSA-N 1 3 334.467 3.958 20 0 EHADHO C[NH+](C)C1CCC(NCc2c(F)cccc2OC(F)(F)F)CC1 ZINC000421376054 1028337554 /nfs/dbraw/zinc/33/75/54/1028337554.db2.gz QBCGKPLYKUMCLZ-UHFFFAOYSA-N 1 3 334.357 3.687 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000423359999 1028390581 /nfs/dbraw/zinc/39/05/81/1028390581.db2.gz DYZSXBQIDLGIFH-YCPHGPKFSA-N 1 3 328.378 3.896 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000423428493 1028439001 /nfs/dbraw/zinc/43/90/01/1028439001.db2.gz RLHVJMHBLHHMOM-JXXFODFXSA-N 1 3 327.447 3.665 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423474513 1028457801 /nfs/dbraw/zinc/45/78/01/1028457801.db2.gz PDMNPNSXQBLYIK-VVFCZOMOSA-N 1 3 331.410 3.556 20 0 EHADHO Cc1cc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2cccnc2)ccc1F ZINC000423480018 1028465027 /nfs/dbraw/zinc/46/50/27/1028465027.db2.gz MQLTUETWWDXDCI-ICSRJNTNSA-N 1 3 327.447 3.740 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](C)CC(F)(F)F)CC1 ZINC000414524437 1028465935 /nfs/dbraw/zinc/46/59/35/1028465935.db2.gz GUKJDIDVCIBZAI-OAHLLOKOSA-N 1 3 343.437 3.507 20 0 EHADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000423505014 1028469135 /nfs/dbraw/zinc/46/91/35/1028469135.db2.gz GYHWXZQBIHXYLW-NLDTVIPQSA-N 1 3 328.500 3.602 20 0 EHADHO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000195132675 1028585431 /nfs/dbraw/zinc/58/54/31/1028585431.db2.gz XWWUWBXZNOUXJS-IEBWSBKVSA-N 1 3 326.488 3.637 20 0 EHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247183016 1028757111 /nfs/dbraw/zinc/75/71/11/1028757111.db2.gz ZICAKGABUHSWNN-LZJOCLMNSA-N 1 3 346.515 3.552 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccco1 ZINC000247245171 1028762624 /nfs/dbraw/zinc/76/26/24/1028762624.db2.gz ZEEPSAGHXMAWPY-BRWVUGGUSA-N 1 3 328.456 3.740 20 0 EHADHO CC(C)n1cncc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000424157014 1028847457 /nfs/dbraw/zinc/84/74/57/1028847457.db2.gz QGHMALQFSDSEKZ-QZTJIDSGSA-N 1 3 340.515 3.710 20 0 EHADHO C[C@H]1CC2(CN1Cc1csc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000424295995 1028938841 /nfs/dbraw/zinc/93/88/41/1028938841.db2.gz RVOBUUQXTFCYBW-AWEZNQCLSA-N 1 3 345.487 3.913 20 0 EHADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000249125276 1028990641 /nfs/dbraw/zinc/99/06/41/1028990641.db2.gz UBUGZQXTSMDJLF-PMXSJFBMSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000249125276 1028990656 /nfs/dbraw/zinc/99/06/56/1028990656.db2.gz UBUGZQXTSMDJLF-PMXSJFBMSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1CC2(CN1Cc1ccccc1OC(F)(F)F)CC[NH2+]CC2 ZINC000424387109 1029041961 /nfs/dbraw/zinc/04/19/61/1029041961.db2.gz YENWUTZLVBWRKY-CYBMUJFWSA-N 1 3 328.378 3.549 20 0 EHADHO Fc1cc(Br)cc([C@@H]2CCCN2CC2CC[NH2+]CC2)c1 ZINC000262016315 1029551639 /nfs/dbraw/zinc/55/16/39/1029551639.db2.gz VSTMDXFOVYIBKU-INIZCTEOSA-N 1 3 341.268 3.725 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000092738775 1029715059 /nfs/dbraw/zinc/71/50/59/1029715059.db2.gz BOSRLPHUARBBQP-ACJLOTCBSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738775 1029715067 /nfs/dbraw/zinc/71/50/67/1029715067.db2.gz BOSRLPHUARBBQP-ACJLOTCBSA-N 1 3 349.316 3.900 20 0 EHADHO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508713033 1029787973 /nfs/dbraw/zinc/78/79/73/1029787973.db2.gz FEIMQWHOPKXXGN-QRQLOZEOSA-N 1 3 344.524 3.590 20 0 EHADHO CN(C)c1ccccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525781594 1030115695 /nfs/dbraw/zinc/11/56/95/1030115695.db2.gz YNVXVPKLDKKVRL-FQEVSTJZSA-N 1 3 337.511 3.707 20 0 EHADHO CN(C)c1ccccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525781594 1030115697 /nfs/dbraw/zinc/11/56/97/1030115697.db2.gz YNVXVPKLDKKVRL-FQEVSTJZSA-N 1 3 337.511 3.707 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCC(C)CC1 ZINC000481975446 1030143361 /nfs/dbraw/zinc/14/33/61/1030143361.db2.gz SFJCLAAGSIIZKL-KCZVDYSFSA-N 1 3 343.559 3.607 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453381863 1030162932 /nfs/dbraw/zinc/16/29/32/1030162932.db2.gz RJDPYJBYSXJUQO-UXHICEINSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cc(F)cc(CC2CCN([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453381863 1030162941 /nfs/dbraw/zinc/16/29/41/1030162941.db2.gz RJDPYJBYSXJUQO-UXHICEINSA-N 1 3 334.454 3.846 20 0 EHADHO Cc1ccc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)nc1 ZINC000453404706 1030210932 /nfs/dbraw/zinc/21/09/32/1030210932.db2.gz BPDQUWMAKKFBPL-IBGZPJMESA-N 1 3 337.511 3.618 20 0 EHADHO CCC(C)(C)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453405588 1030214540 /nfs/dbraw/zinc/21/45/40/1030214540.db2.gz JJSCEOVUSFBYKJ-OWZKRDHZSA-N 1 3 330.516 3.977 20 0 EHADHO CCC(C)(C)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453405588 1030214556 /nfs/dbraw/zinc/21/45/56/1030214556.db2.gz JJSCEOVUSFBYKJ-OWZKRDHZSA-N 1 3 330.516 3.977 20 0 EHADHO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000093318102 1030588195 /nfs/dbraw/zinc/58/81/95/1030588195.db2.gz MYSSUFBOULBCAE-IEBWSBKVSA-N 1 3 339.483 3.581 20 0 EHADHO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000093318102 1030588209 /nfs/dbraw/zinc/58/82/09/1030588209.db2.gz MYSSUFBOULBCAE-IEBWSBKVSA-N 1 3 339.483 3.581 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650753203 1030693996 /nfs/dbraw/zinc/69/39/96/1030693996.db2.gz ITHOBPJTQITYAP-CQSZACIVSA-N 1 3 338.430 3.629 20 0 EHADHO N[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806580 1030810399 /nfs/dbraw/zinc/81/03/99/1030810399.db2.gz AOYKKUIBQGPKIL-LSDHHAIUSA-N 1 3 331.460 3.654 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172204 1030845280 /nfs/dbraw/zinc/84/52/80/1030845280.db2.gz HQHCUGDTPGGZJO-RDTXWAMCSA-N 1 3 329.513 3.891 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172204 1030845303 /nfs/dbraw/zinc/84/53/03/1030845303.db2.gz HQHCUGDTPGGZJO-RDTXWAMCSA-N 1 3 329.513 3.891 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000482977631 1030876294 /nfs/dbraw/zinc/87/62/94/1030876294.db2.gz GBZQBIMQROWWIG-MRUHUIDDSA-N 1 3 346.490 3.634 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Br)c(F)c2F)C1 ZINC000527717433 1031176577 /nfs/dbraw/zinc/17/65/77/1031176577.db2.gz GFIANOIIPSLKLI-NSHDSACASA-N 1 3 347.247 3.549 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Br)c(F)c2F)C1 ZINC000527717433 1031176580 /nfs/dbraw/zinc/17/65/80/1031176580.db2.gz GFIANOIIPSLKLI-NSHDSACASA-N 1 3 347.247 3.549 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Br)c(F)c2F)C1 ZINC000527717429 1031175945 /nfs/dbraw/zinc/17/59/45/1031175945.db2.gz GFIANOIIPSLKLI-LLVKDONJSA-N 1 3 347.247 3.549 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Br)c(F)c2F)C1 ZINC000527717429 1031175956 /nfs/dbraw/zinc/17/59/56/1031175956.db2.gz GFIANOIIPSLKLI-LLVKDONJSA-N 1 3 347.247 3.549 20 0 EHADHO C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000568277548 1031301411 /nfs/dbraw/zinc/30/14/11/1031301411.db2.gz YVPQUBVCVVYGGE-SESVDKBCSA-N 1 3 329.532 3.532 20 0 EHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838231 1031430842 /nfs/dbraw/zinc/43/08/42/1031430842.db2.gz DBJFYCBOSOEZAB-STQMWFEESA-N 1 3 328.909 3.553 20 0 EHADHO Clc1ccc(CN2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000666995729 1031435219 /nfs/dbraw/zinc/43/52/19/1031435219.db2.gz XSSHMMCGUVMNLO-LJQANCHMSA-N 1 3 347.934 3.569 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666995430 1031445510 /nfs/dbraw/zinc/44/55/10/1031445510.db2.gz NTUZJLRATBZUTJ-GDBMZVCRSA-N 1 3 349.906 3.630 20 0 EHADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000551781150 1031653088 /nfs/dbraw/zinc/65/30/88/1031653088.db2.gz ODLWRESJUVSUQJ-ZYKFHVCXSA-N 1 3 328.500 3.839 20 0 EHADHO COCc1cccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000179237053 1031760973 /nfs/dbraw/zinc/76/09/73/1031760973.db2.gz BDANSHSKGJDYCF-UHFFFAOYSA-N 1 3 338.495 3.929 20 0 EHADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000044533368 1033508870 /nfs/dbraw/zinc/50/88/70/1033508870.db2.gz FBZPOXOCHAAWDI-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533368 1033508878 /nfs/dbraw/zinc/50/88/78/1033508878.db2.gz FBZPOXOCHAAWDI-CJNGLKHVSA-N 1 3 325.294 3.832 20 0 EHADHO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000623470169 1033796997 /nfs/dbraw/zinc/79/69/97/1033796997.db2.gz BPKVPASTRMNZSM-QUCCMNQESA-N 1 3 340.515 3.704 20 0 EHADHO CN1CCC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000108429006 1033814617 /nfs/dbraw/zinc/81/46/17/1033814617.db2.gz HAVJXAFKFZRYAV-LBPRGKRZSA-N 1 3 341.282 3.701 20 0 EHADHO Cc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000119076918 1034081561 /nfs/dbraw/zinc/08/15/61/1034081561.db2.gz DJVYPYGTASDWSM-INIZCTEOSA-N 1 3 330.447 3.925 20 0 EHADHO C[NH+](C)C1CCC(N2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001168328176 1034183250 /nfs/dbraw/zinc/18/32/50/1034183250.db2.gz YRFOTBSYIHZSJO-CTWPCTMYSA-N 1 3 336.907 3.760 20 0 EHADHO C[NH+](C)CC[C@@H](NCc1ccc(Br)cc1)C(C)(C)C ZINC000604770663 1034487349 /nfs/dbraw/zinc/48/73/49/1034487349.db2.gz AFFUPDACHHCSAR-OAHLLOKOSA-N 1 3 327.310 3.905 20 0 EHADHO CSC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000597229889 1034611233 /nfs/dbraw/zinc/61/12/33/1034611233.db2.gz KRLFMPXXGFAAEV-GOSISDBHSA-N 1 3 330.541 3.774 20 0 EHADHO OCC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305171168 1035709580 /nfs/dbraw/zinc/70/95/80/1035709580.db2.gz ZUJMTDYOOCVAPP-LJQANCHMSA-N 1 3 330.516 3.539 20 0 EHADHO c1ncn2cc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc12 ZINC000414145952 1035764304 /nfs/dbraw/zinc/76/43/04/1035764304.db2.gz BMRKDDTZNQQLJV-WKCHPHFGSA-N 1 3 346.478 3.620 20 0 EHADHO c1ncn2cc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc12 ZINC000414145952 1035764316 /nfs/dbraw/zinc/76/43/16/1035764316.db2.gz BMRKDDTZNQQLJV-WKCHPHFGSA-N 1 3 346.478 3.620 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000414169873 1035867373 /nfs/dbraw/zinc/86/73/73/1035867373.db2.gz BQRISIYQFUHEOA-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169873 1035867398 /nfs/dbraw/zinc/86/73/98/1035867398.db2.gz BQRISIYQFUHEOA-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000414195221 1036008633 /nfs/dbraw/zinc/00/86/33/1036008633.db2.gz UYRMHZCPWNPBIK-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000414195221 1036008650 /nfs/dbraw/zinc/00/86/50/1036008650.db2.gz UYRMHZCPWNPBIK-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000414344606 1036801709 /nfs/dbraw/zinc/80/17/09/1036801709.db2.gz ZMEWWRZBHSJJPO-ILWGZMRPSA-N 1 3 349.522 3.859 20 0 EHADHO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000177291189 1036806331 /nfs/dbraw/zinc/80/63/31/1036806331.db2.gz HHHHJZXDHJGHRA-ICSRJNTNSA-N 1 3 338.495 3.910 20 0 EHADHO C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464846452 1036894671 /nfs/dbraw/zinc/89/46/71/1036894671.db2.gz JNNSKMYJIMEPNG-LJQANCHMSA-N 1 3 342.458 3.658 20 0 EHADHO C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464846452 1036894686 /nfs/dbraw/zinc/89/46/86/1036894686.db2.gz JNNSKMYJIMEPNG-LJQANCHMSA-N 1 3 342.458 3.658 20 0 EHADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464866104 1036924384 /nfs/dbraw/zinc/92/43/84/1036924384.db2.gz OMZCEROYJCWRRS-IVAOSVALSA-N 1 3 335.580 3.693 20 0 EHADHO CC[C@H](C)Oc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000647542207 1037072021 /nfs/dbraw/zinc/07/20/21/1037072021.db2.gz YILFKUYUOOXPSF-QFBILLFUSA-N 1 3 346.515 3.694 20 0 EHADHO Cc1cc(N2CCN([C@@H](C)Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001168194115 1037232440 /nfs/dbraw/zinc/23/24/40/1037232440.db2.gz SLDVIVHMMFWKHT-INIZCTEOSA-N 1 3 329.875 3.797 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280019 1037238428 /nfs/dbraw/zinc/23/84/28/1037238428.db2.gz GKFVSBAWHCLKHA-IEBWSBKVSA-N 1 3 336.907 3.760 20 0 EHADHO Cc1cccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000532521094 1037560458 /nfs/dbraw/zinc/56/04/58/1037560458.db2.gz ZZBAOOWGVOBQKH-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000532521094 1037560468 /nfs/dbraw/zinc/56/04/68/1037560468.db2.gz ZZBAOOWGVOBQKH-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000493905142 1037702342 /nfs/dbraw/zinc/70/23/42/1037702342.db2.gz GVAVYOYGZRDIRC-CXAGYDPISA-N 1 3 349.316 3.819 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905142 1037702359 /nfs/dbraw/zinc/70/23/59/1037702359.db2.gz GVAVYOYGZRDIRC-CXAGYDPISA-N 1 3 349.316 3.819 20 0 EHADHO C[C@@H]1C[C@@H](NCCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078218 1037744758 /nfs/dbraw/zinc/74/47/58/1037744758.db2.gz ODCISYGFXMRUCJ-XLIONFOSSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[C@@H](NCCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078218 1037744778 /nfs/dbraw/zinc/74/47/78/1037744778.db2.gz ODCISYGFXMRUCJ-XLIONFOSSA-N 1 3 342.458 3.847 20 0 EHADHO CCN(C)C[C@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753910 /nfs/dbraw/zinc/75/39/10/1037753910.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 1 3 342.531 3.789 20 0 EHADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753924 /nfs/dbraw/zinc/75/39/24/1037753924.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 1 3 342.531 3.789 20 0 EHADHO CC[N@H+](C)C[C@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753931 /nfs/dbraw/zinc/75/39/31/1037753931.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 1 3 342.531 3.789 20 0 EHADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092233 1037753944 /nfs/dbraw/zinc/75/39/44/1037753944.db2.gz WMGPABDLRYJRTF-LJQANCHMSA-N 1 3 342.531 3.789 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000463146751 1037815104 /nfs/dbraw/zinc/81/51/04/1037815104.db2.gz PLFRRDCSTITSPY-VMBXEPDQSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCCO1 ZINC000542474860 1037888762 /nfs/dbraw/zinc/88/87/62/1037888762.db2.gz PZOKTPFEYWEPSH-HNAYVOBHSA-N 1 3 336.907 3.709 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000378245784 1038303864 /nfs/dbraw/zinc/30/38/64/1038303864.db2.gz DVSUINJKNWTUSV-GOSISDBHSA-N 1 3 329.532 3.756 20 0 EHADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000545460412 1038704580 /nfs/dbraw/zinc/70/45/80/1038704580.db2.gz RDVZFTDUIIHWCZ-LIRRHRJNSA-N 1 3 336.907 3.880 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)c1C ZINC000477916368 1039043859 /nfs/dbraw/zinc/04/38/59/1039043859.db2.gz DMZBVHNJRARSLS-KRWDZBQOSA-N 1 3 345.531 3.732 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1C ZINC000477916368 1039043884 /nfs/dbraw/zinc/04/38/84/1039043884.db2.gz DMZBVHNJRARSLS-KRWDZBQOSA-N 1 3 345.531 3.732 20 0 EHADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000668513819 1039249287 /nfs/dbraw/zinc/24/92/87/1039249287.db2.gz XWNOTKOJTJTQKD-MOPGFXCFSA-N 1 3 347.572 3.803 20 0 EHADHO Cn1ncc(C2CCC2)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000667680835 1039605051 /nfs/dbraw/zinc/60/50/51/1039605051.db2.gz SURYFKJKMBJIPD-UHFFFAOYSA-N 1 3 344.547 3.776 20 0 EHADHO Cc1cc(Cl)cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000549778792 1039844369 /nfs/dbraw/zinc/84/43/69/1039844369.db2.gz HPYNMAWYMKZQMK-RTBURBONSA-N 1 3 336.907 3.506 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000480754406 1039981664 /nfs/dbraw/zinc/98/16/64/1039981664.db2.gz KLRULSUVLJSOIW-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000480754406 1039981667 /nfs/dbraw/zinc/98/16/67/1039981667.db2.gz KLRULSUVLJSOIW-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000479252038 1040074509 /nfs/dbraw/zinc/07/45/09/1040074509.db2.gz SKAOAXVADAQUSL-CLCXKQKWSA-N 1 3 336.907 3.806 20 0 EHADHO Cc1cc2[nH]c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)cc2c(C)c1 ZINC000479369398 1040171181 /nfs/dbraw/zinc/17/11/81/1040171181.db2.gz YGHVSNGTAOJWDW-ROUUACIJSA-N 1 3 343.515 3.764 20 0 EHADHO Cc1cc2[nH]c(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)cc2c(C)c1 ZINC000479369397 1040171383 /nfs/dbraw/zinc/17/13/83/1040171383.db2.gz YGHVSNGTAOJWDW-QZTJIDSGSA-N 1 3 343.515 3.764 20 0 EHADHO C[C@@H](CCc1ccccc1F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162856251 1040189551 /nfs/dbraw/zinc/18/95/51/1040189551.db2.gz TZJXYVHMBHHLNK-OKZBNKHCSA-N 1 3 336.495 3.626 20 0 EHADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000512622321 1040290871 /nfs/dbraw/zinc/29/08/71/1040290871.db2.gz ANPNCNOKHBYWPC-QHAWAJNXSA-N 1 3 342.527 3.572 20 0 EHADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549867958 1040456096 /nfs/dbraw/zinc/45/60/96/1040456096.db2.gz KJZCXMIMPJDZTN-HMXCVIKNSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]1CCCN(Cc2coc(-c3ccccc3F)n2)[C@@H]1CCC[NH3+] ZINC000629547342 1040466355 /nfs/dbraw/zinc/46/63/55/1040466355.db2.gz MZBBHPQVEYDRFH-RDTXWAMCSA-N 1 3 331.435 3.820 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667843886 1040532260 /nfs/dbraw/zinc/53/22/60/1040532260.db2.gz RCRAEFDKPSGURB-AZUAARDMSA-N 1 3 348.918 3.709 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(CO)CC4(CCC4)C3)CC2)C1 ZINC000433055755 1040558512 /nfs/dbraw/zinc/55/85/12/1040558512.db2.gz BTWMYDSLCMVDBM-PKOBYXMFSA-N 1 3 334.548 3.562 20 0 EHADHO CCc1ccc([C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000500129027 1040564946 /nfs/dbraw/zinc/56/49/46/1040564946.db2.gz KBAMHVXJDNSWAM-QFIPXVFZSA-N 1 3 345.575 3.952 20 0 EHADHO C(=C\c1ccncc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000487278871 1040873221 /nfs/dbraw/zinc/87/32/21/1040873221.db2.gz ULXPWODPCLIDRL-CKINHPAFSA-N 1 3 333.479 3.880 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651753632 1041996439 /nfs/dbraw/zinc/99/64/39/1041996439.db2.gz ZENASJURFCODCC-PXNSSMCTSA-N 1 3 341.499 3.756 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549544158 1042069469 /nfs/dbraw/zinc/06/94/69/1042069469.db2.gz OKHPCZVFYJIFFQ-LBFCPWMRSA-N 1 3 330.516 3.658 20 0 EHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348069 1042406235 /nfs/dbraw/zinc/40/62/35/1042406235.db2.gz TVLAVTZWLLKQQQ-OYUZRVEBSA-N 1 3 340.870 3.758 20 0 EHADHO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925736091 1042425853 /nfs/dbraw/zinc/42/58/53/1042425853.db2.gz YPYPQHMAIHTYJL-NXOAAHMSSA-N 1 3 330.438 3.889 20 0 EHADHO C[C@H](c1cccc2ccccc21)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321432 1042684401 /nfs/dbraw/zinc/68/44/01/1042684401.db2.gz IEYMKZLUJOXDOO-MJGOQNOKSA-N 1 3 326.484 3.943 20 0 EHADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000278864952 1042748718 /nfs/dbraw/zinc/74/87/18/1042748718.db2.gz WOPLCMMAZFVVLN-CMOCDZPBSA-N 1 3 342.527 3.838 20 0 EHADHO CC[NH+](CC)CCC[C@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC001167823975 1042938418 /nfs/dbraw/zinc/93/84/18/1042938418.db2.gz ANVZKJCTFNQQAJ-INIZCTEOSA-N 1 3 334.504 3.572 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426777 1043176504 /nfs/dbraw/zinc/17/65/04/1043176504.db2.gz UYSKTUPOKXDHMM-GJZGRUSLSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426777 1043176511 /nfs/dbraw/zinc/17/65/11/1043176511.db2.gz UYSKTUPOKXDHMM-GJZGRUSLSA-N 1 3 344.421 3.857 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512150229 1043471921 /nfs/dbraw/zinc/47/19/21/1043471921.db2.gz VIVYWDVJLQGEHR-IFMALSPDSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512150229 1043471927 /nfs/dbraw/zinc/47/19/27/1043471927.db2.gz VIVYWDVJLQGEHR-IFMALSPDSA-N 1 3 343.559 3.876 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000512184133 1043743443 /nfs/dbraw/zinc/74/34/43/1043743443.db2.gz WWNGUJNFXUESSD-OALUTQOASA-N 1 3 330.516 3.625 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444440 1044004010 /nfs/dbraw/zinc/00/40/10/1044004010.db2.gz GVAYVQIAZQHYHG-GHTZIAJQSA-N 1 3 341.543 3.504 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344491 1126923496 /nfs/dbraw/zinc/92/34/96/1126923496.db2.gz OXDDXWIKXRDAOO-AZUAARDMSA-N 1 3 347.547 3.541 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344491 1126923499 /nfs/dbraw/zinc/92/34/99/1126923499.db2.gz OXDDXWIKXRDAOO-AZUAARDMSA-N 1 3 347.547 3.541 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000177903285 1127002109 /nfs/dbraw/zinc/00/21/09/1127002109.db2.gz KZLXOBZKAIGOKN-UHFFFAOYSA-N 1 3 344.421 3.937 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121248 1127256051 /nfs/dbraw/zinc/25/60/51/1127256051.db2.gz RFMQMOUFTQTEHI-SJLPKXTDSA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121248 1127256053 /nfs/dbraw/zinc/25/60/53/1127256053.db2.gz RFMQMOUFTQTEHI-SJLPKXTDSA-N 1 3 326.488 3.563 20 0 EHADHO CC[C@@H](NC1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181417708 1127276165 /nfs/dbraw/zinc/27/61/65/1127276165.db2.gz CMIGBKFFBIPRHJ-OAHLLOKOSA-N 1 3 329.257 3.723 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383441211 1127543220 /nfs/dbraw/zinc/54/32/20/1127543220.db2.gz DSIAVLYVYPLZQR-QAPCUYQASA-N 1 3 330.422 3.965 20 0 EHADHO COc1ccc([C@@H]2C[C@H]([N@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591222 1128179028 /nfs/dbraw/zinc/17/90/28/1128179028.db2.gz UMCFXFOOPVJUGV-CTNGQTDRSA-N 1 3 346.515 3.899 20 0 EHADHO COc1ccc([C@@H]2C[C@H]([N@@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591222 1128179030 /nfs/dbraw/zinc/17/90/30/1128179030.db2.gz UMCFXFOOPVJUGV-CTNGQTDRSA-N 1 3 346.515 3.899 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000191454175 1120674866 /nfs/dbraw/zinc/67/48/66/1120674866.db2.gz INHKWZQNWRRFBB-UHFFFAOYSA-N 1 3 349.950 3.721 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000191454175 1120674869 /nfs/dbraw/zinc/67/48/69/1120674869.db2.gz INHKWZQNWRRFBB-UHFFFAOYSA-N 1 3 349.950 3.721 20 0 EHADHO CC(C)[C@H](c1ccccc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192739747 1120746039 /nfs/dbraw/zinc/74/60/39/1120746039.db2.gz RKDPTORDABRHQA-OAQYLSRUSA-N 1 3 331.548 3.732 20 0 EHADHO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192739747 1120746045 /nfs/dbraw/zinc/74/60/45/1120746045.db2.gz RKDPTORDABRHQA-OAQYLSRUSA-N 1 3 331.548 3.732 20 0 EHADHO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750429 1120746693 /nfs/dbraw/zinc/74/66/93/1120746693.db2.gz CQBPPCMWSIPBMU-UYAOXDASSA-N 1 3 347.547 3.777 20 0 EHADHO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750429 1120746695 /nfs/dbraw/zinc/74/66/95/1120746695.db2.gz CQBPPCMWSIPBMU-UYAOXDASSA-N 1 3 347.547 3.777 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000192765344 1120748285 /nfs/dbraw/zinc/74/82/85/1120748285.db2.gz CYKHUMKGVJZQNF-JOCHJYFZSA-N 1 3 341.543 3.554 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000192765344 1120748288 /nfs/dbraw/zinc/74/82/88/1120748288.db2.gz CYKHUMKGVJZQNF-JOCHJYFZSA-N 1 3 341.543 3.554 20 0 EHADHO Cc1c(C[NH2+]CCCN2CCC(C)CC2)sc2nc(C)nc(C)c12 ZINC000915223969 1121261107 /nfs/dbraw/zinc/26/11/07/1121261107.db2.gz UJVBKZCGIYWKGI-UHFFFAOYSA-N 1 3 346.544 3.828 20 0 EHADHO c1cc2cccc(CNC[C@H]3CC[N@@H+](CCc4ccccc4)C3)c2[nH]1 ZINC000236738866 1121462190 /nfs/dbraw/zinc/46/21/90/1121462190.db2.gz CZZCXPUUHBECAP-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2cccc(CNC[C@H]3CC[N@H+](CCc4ccccc4)C3)c2[nH]1 ZINC000236738866 1121462194 /nfs/dbraw/zinc/46/21/94/1121462194.db2.gz CZZCXPUUHBECAP-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO c1cc2cccc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)c2[nH]1 ZINC000236738866 1121462201 /nfs/dbraw/zinc/46/22/01/1121462201.db2.gz CZZCXPUUHBECAP-LJQANCHMSA-N 1 3 333.479 3.822 20 0 EHADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706370 1128996018 /nfs/dbraw/zinc/99/60/18/1128996018.db2.gz XBIRYVOPDZDCQB-SRCQZFHVSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706370 1128996020 /nfs/dbraw/zinc/99/60/20/1128996020.db2.gz XBIRYVOPDZDCQB-SRCQZFHVSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000125333081 1122313697 /nfs/dbraw/zinc/31/36/97/1122313697.db2.gz FIEKEFYKIJWJQC-GFCCVEGCSA-N 1 3 343.284 3.971 20 0 EHADHO COCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556858883 1123155372 /nfs/dbraw/zinc/15/53/72/1123155372.db2.gz OWOYYAINHHHATQ-NJDAHSKKSA-N 1 3 330.516 3.693 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133427176 1123392737 /nfs/dbraw/zinc/39/27/37/1123392737.db2.gz HYGMICORLZXQQQ-UONOGXRCSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133427176 1123392741 /nfs/dbraw/zinc/39/27/41/1123392741.db2.gz HYGMICORLZXQQQ-UONOGXRCSA-N 1 3 325.294 3.784 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000134163058 1123497211 /nfs/dbraw/zinc/49/72/11/1123497211.db2.gz YICHVNGBSKKCPA-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000134163058 1123497213 /nfs/dbraw/zinc/49/72/13/1123497213.db2.gz YICHVNGBSKKCPA-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446284 1123829436 /nfs/dbraw/zinc/82/94/36/1123829436.db2.gz ZRZMULRGKZYDFX-HRAATJIYSA-N 1 3 340.515 3.651 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000245446284 1123829442 /nfs/dbraw/zinc/82/94/42/1123829442.db2.gz ZRZMULRGKZYDFX-HRAATJIYSA-N 1 3 340.515 3.651 20 0 EHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000617014354 1124077563 /nfs/dbraw/zinc/07/75/63/1124077563.db2.gz IABUAGKONJDSST-IBGZPJMESA-N 1 3 345.531 3.521 20 0 EHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000617014354 1124077569 /nfs/dbraw/zinc/07/75/69/1124077569.db2.gz IABUAGKONJDSST-IBGZPJMESA-N 1 3 345.531 3.521 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000246837852 1124556064 /nfs/dbraw/zinc/55/60/64/1124556064.db2.gz BKQFGSMJKOIFHO-IIAWOOMASA-N 1 3 344.421 3.754 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847346 1124557273 /nfs/dbraw/zinc/55/72/73/1124557273.db2.gz CKFMTBGBPVIMCC-FFZOFVMBSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847346 1124557281 /nfs/dbraw/zinc/55/72/81/1124557281.db2.gz CKFMTBGBPVIMCC-FFZOFVMBSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847346 1124557291 /nfs/dbraw/zinc/55/72/91/1124557291.db2.gz CKFMTBGBPVIMCC-FFZOFVMBSA-N 1 3 349.950 3.797 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000379843512 1124561847 /nfs/dbraw/zinc/56/18/47/1124561847.db2.gz HKGBRLJONACEGG-NJDAHSKKSA-N 1 3 330.516 3.836 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC1CCCC1 ZINC000247112172 1124588330 /nfs/dbraw/zinc/58/83/30/1124588330.db2.gz TWVFEZNTPYRHCE-TXPKVOOTSA-N 1 3 346.515 3.835 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)[C@@H](C)C1 ZINC000247138706 1124590951 /nfs/dbraw/zinc/59/09/51/1124590951.db2.gz VZSSMELFNALHBV-LPHOPBHVSA-N 1 3 346.515 3.837 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)C2)c2cccc(Br)c21 ZINC000248135981 1124642553 /nfs/dbraw/zinc/64/25/53/1124642553.db2.gz PBVUEYMBMIRPCU-IOASZLSFSA-N 1 3 337.305 3.929 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)c2cccc(Br)c21 ZINC000248135981 1124642555 /nfs/dbraw/zinc/64/25/55/1124642555.db2.gz PBVUEYMBMIRPCU-IOASZLSFSA-N 1 3 337.305 3.929 20 0 EHADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248394714 1124655850 /nfs/dbraw/zinc/65/58/50/1124655850.db2.gz FUKQKQKHRNXPRP-NJDAHSKKSA-N 1 3 344.543 3.675 20 0 EHADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000249170376 1124743997 /nfs/dbraw/zinc/74/39/97/1124743997.db2.gz BAFOLVCPHJBEDW-NHCUHLMSSA-N 1 3 342.458 3.633 20 0 EHADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(F)c1 ZINC000249170376 1124744001 /nfs/dbraw/zinc/74/40/01/1124744001.db2.gz BAFOLVCPHJBEDW-NHCUHLMSSA-N 1 3 342.458 3.633 20 0 EHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285532 1124972825 /nfs/dbraw/zinc/97/28/25/1124972825.db2.gz FAQZQKZJWONWNG-DYESRHJHSA-N 1 3 347.522 3.673 20 0 EHADHO CCCN(Cc1ccc(Br)cc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236843421 1125044134 /nfs/dbraw/zinc/04/41/34/1125044134.db2.gz NYZIYHWFWRONFM-CQSZACIVSA-N 1 3 339.321 3.833 20 0 EHADHO CCCN(Cc1c(C)cc(Br)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236845096 1125049911 /nfs/dbraw/zinc/04/99/11/1125049911.db2.gz YRRRQSFFKCBENU-OAHLLOKOSA-N 1 3 339.321 3.887 20 0 EHADHO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183097000 1125443688 /nfs/dbraw/zinc/44/36/88/1125443688.db2.gz QBGSEGJPPIHJLX-ROUUACIJSA-N 1 3 348.531 3.740 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1CN1CCCCC1 ZINC000183098783 1125443939 /nfs/dbraw/zinc/44/39/39/1125443939.db2.gz VXWLATNWVMSOER-DYESRHJHSA-N 1 3 346.515 3.901 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc2ccccc21 ZINC000282387094 1129680125 /nfs/dbraw/zinc/68/01/25/1129680125.db2.gz QXWIJXSRBQEOIY-QGZVFWFLSA-N 1 3 325.500 3.516 20 0 EHADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000391745319 1129931215 /nfs/dbraw/zinc/93/12/15/1129931215.db2.gz MNCMTQSIYWFAGW-INWMFGNUSA-N 1 3 328.378 3.707 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CCN1Cc1ccccc1 ZINC000674335881 1130067561 /nfs/dbraw/zinc/06/75/61/1130067561.db2.gz RRWTWPNDRUSLGJ-WMZOPIPTSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@H]1C[C@@H](NCc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000674335881 1130067568 /nfs/dbraw/zinc/06/75/68/1130067568.db2.gz RRWTWPNDRUSLGJ-WMZOPIPTSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@H]1C[C@@H](NCc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335881 1130067575 /nfs/dbraw/zinc/06/75/75/1130067575.db2.gz RRWTWPNDRUSLGJ-WMZOPIPTSA-N 1 3 334.467 3.706 20 0 EHADHO Brc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166685303 1130595856 /nfs/dbraw/zinc/59/58/56/1130595856.db2.gz VXBPMAZCOABUQR-LSDHHAIUSA-N 1 3 349.316 3.697 20 0 EHADHO Brc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166685303 1130595858 /nfs/dbraw/zinc/59/58/58/1130595858.db2.gz VXBPMAZCOABUQR-LSDHHAIUSA-N 1 3 349.316 3.697 20 0 EHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001172573044 1131778391 /nfs/dbraw/zinc/77/83/91/1131778391.db2.gz VQJJVTIENSXDJQ-MJBXVCDLSA-N 1 3 342.861 3.823 20 0 EHADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001172573044 1131778397 /nfs/dbraw/zinc/77/83/97/1131778397.db2.gz VQJJVTIENSXDJQ-MJBXVCDLSA-N 1 3 342.861 3.823 20 0 EHADHO Cc1ccc2c(c1)C[C@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)CC2 ZINC001172827921 1131854584 /nfs/dbraw/zinc/85/45/84/1131854584.db2.gz GFQHMXMJOCJYBS-OAQYLSRUSA-N 1 3 338.470 3.941 20 0 EHADHO CCc1ccc(C[C@H](C)N2CCC([NH3+])(Cc3cccnc3)CC2)cc1 ZINC001173251383 1132019033 /nfs/dbraw/zinc/01/90/33/1132019033.db2.gz ZJUUAINENOYJQZ-SFHVURJKSA-N 1 3 337.511 3.611 20 0 EHADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000379902328 1132443389 /nfs/dbraw/zinc/44/33/89/1132443389.db2.gz JBVXTPWTCRQEHU-PCCBWWKXSA-N 1 3 330.516 3.836 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccncc1 ZINC000509455342 1132570507 /nfs/dbraw/zinc/57/05/07/1132570507.db2.gz POJLDEJYVVMLQE-DFOOEPSASA-N 1 3 335.495 3.985 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccncc1 ZINC000509455342 1132570513 /nfs/dbraw/zinc/57/05/13/1132570513.db2.gz POJLDEJYVVMLQE-DFOOEPSASA-N 1 3 335.495 3.985 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101241 1132655688 /nfs/dbraw/zinc/65/56/88/1132655688.db2.gz PSIXHDWWSGSBNW-YRPNKDGESA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101241 1132655689 /nfs/dbraw/zinc/65/56/89/1132655689.db2.gz PSIXHDWWSGSBNW-YRPNKDGESA-N 1 3 332.463 3.508 20 0 EHADHO CN1CC[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444647 1132671911 /nfs/dbraw/zinc/67/19/11/1132671911.db2.gz LTNZAFYXFNWIQN-FXAWDEMLSA-N 1 3 330.516 3.779 20 0 EHADHO CN1CC[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001175444647 1132671914 /nfs/dbraw/zinc/67/19/14/1132671914.db2.gz LTNZAFYXFNWIQN-FXAWDEMLSA-N 1 3 330.516 3.779 20 0 EHADHO Cc1nccn1CCCN(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001175593127 1132706421 /nfs/dbraw/zinc/70/64/21/1132706421.db2.gz NJYQOQLSRGEOKM-OAQYLSRUSA-N 1 3 340.515 3.568 20 0 EHADHO Cc1nccn1CCCN(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001175593127 1132706427 /nfs/dbraw/zinc/70/64/27/1132706427.db2.gz NJYQOQLSRGEOKM-OAQYLSRUSA-N 1 3 340.515 3.568 20 0 EHADHO C[C@H]1CNCC[N@H+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001206276877 1132960070 /nfs/dbraw/zinc/96/00/70/1132960070.db2.gz KZMYLOODMAPUQZ-KRWDZBQOSA-N 1 3 333.479 3.887 20 0 EHADHO C[C@H]1CNCC[N@@H+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001206276877 1132960084 /nfs/dbraw/zinc/96/00/84/1132960084.db2.gz KZMYLOODMAPUQZ-KRWDZBQOSA-N 1 3 333.479 3.887 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCNc1ccccc1 ZINC001177933242 1133117746 /nfs/dbraw/zinc/11/77/46/1133117746.db2.gz PPDWFILAKQRIJV-UHFFFAOYSA-N 1 3 325.500 3.846 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCNc1ccccc1 ZINC001177933242 1133117749 /nfs/dbraw/zinc/11/77/49/1133117749.db2.gz PPDWFILAKQRIJV-UHFFFAOYSA-N 1 3 325.500 3.846 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+][C@]2(C)CCCc3ccccc32)CC1 ZINC001180778128 1133415031 /nfs/dbraw/zinc/41/50/31/1133415031.db2.gz BZLNBNDMKNQGQO-KITAHSCOSA-N 1 3 342.527 3.861 20 0 EHADHO BrC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC001184116030 1133900039 /nfs/dbraw/zinc/90/00/39/1133900039.db2.gz SZVZWVCZCCIABN-ULQDDVLXSA-N 1 3 349.316 3.557 20 0 EHADHO BrC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001184116030 1133900042 /nfs/dbraw/zinc/90/00/42/1133900042.db2.gz SZVZWVCZCCIABN-ULQDDVLXSA-N 1 3 349.316 3.557 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184387468 1133934020 /nfs/dbraw/zinc/93/40/20/1133934020.db2.gz KRXMODMSMREDEZ-QIJZBDPFSA-N 1 3 326.406 3.566 20 0 EHADHO CC(C)[N@H+](C)CCCN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788244594 1134098928 /nfs/dbraw/zinc/09/89/28/1134098928.db2.gz NTKYXVSBJSOVJC-SJORKVTESA-N 1 3 341.540 3.532 20 0 EHADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788244594 1134098934 /nfs/dbraw/zinc/09/89/34/1134098934.db2.gz NTKYXVSBJSOVJC-SJORKVTESA-N 1 3 341.540 3.532 20 0 EHADHO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cc[nH]c(=O)c1 ZINC000788502968 1134133416 /nfs/dbraw/zinc/13/34/16/1134133416.db2.gz BGJINOXIMGHXCB-INIZCTEOSA-N 1 3 325.456 3.624 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCC2(O)CCC2)cc1CN1CCCCC1 ZINC000793567060 1134958420 /nfs/dbraw/zinc/95/84/20/1134958420.db2.gz XBMCPDGAOJNZQB-QGZVFWFLSA-N 1 3 346.515 3.637 20 0 EHADHO CCc1sc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205638005 1135153311 /nfs/dbraw/zinc/15/33/11/1135153311.db2.gz KILBICYGZLQWRW-NEPJUHHUSA-N 1 3 345.350 3.880 20 0 EHADHO CC1CC[NH+](CC[C@@H]2CCCN2CC[C@H](O)c2ccccc2)CC1 ZINC001196936140 1135631504 /nfs/dbraw/zinc/63/15/04/1135631504.db2.gz QDOSKBKAVHKERQ-SFTDATJTSA-N 1 3 330.516 3.697 20 0 EHADHO C[C@@H]1CN(CCc2ccc3ccccc3c2)CCN1c1cc[nH+]cc1 ZINC001197368873 1135685712 /nfs/dbraw/zinc/68/57/12/1135685712.db2.gz OENFGDFIQLVSMK-GOSISDBHSA-N 1 3 331.463 3.988 20 0 EHADHO C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CCN1c1ccncc1 ZINC001197368873 1135685718 /nfs/dbraw/zinc/68/57/18/1135685718.db2.gz OENFGDFIQLVSMK-GOSISDBHSA-N 1 3 331.463 3.988 20 0 EHADHO C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CCN1c1ccncc1 ZINC001197368873 1135685720 /nfs/dbraw/zinc/68/57/20/1135685720.db2.gz OENFGDFIQLVSMK-GOSISDBHSA-N 1 3 331.463 3.988 20 0 EHADHO CCOc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000809738934 1135883653 /nfs/dbraw/zinc/88/36/53/1135883653.db2.gz PTIPYPYWSHXYBU-UHFFFAOYSA-N 1 3 342.483 3.788 20 0 EHADHO Clc1ccc(CN2CCC(C[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC001170797045 1136626900 /nfs/dbraw/zinc/62/69/00/1136626900.db2.gz RQAUKHYOPFPGOU-LJQANCHMSA-N 1 3 336.907 3.711 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000173359995 1136839904 /nfs/dbraw/zinc/83/99/04/1136839904.db2.gz NBNVZPKOUSZZLK-ZNMIVQPWSA-N 1 3 326.431 3.505 20 0 EHADHO COc1cc([C@H](C)NCc2ccc(CC[NH3+])cc2)ccc1SC ZINC000817948961 1136850390 /nfs/dbraw/zinc/85/03/90/1136850390.db2.gz MRKFZLJFUVZIOX-AWEZNQCLSA-N 1 3 330.497 3.769 20 0 EHADHO c1n[nH]c2c1CCC[C@@H]2NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000857866359 1136915472 /nfs/dbraw/zinc/91/54/72/1136915472.db2.gz CBXGWYCOTMRYJL-ICSRJNTNSA-N 1 3 338.499 3.679 20 0 EHADHO c1n[nH]c2c1CCC[C@@H]2NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000857866359 1136915475 /nfs/dbraw/zinc/91/54/75/1136915475.db2.gz CBXGWYCOTMRYJL-ICSRJNTNSA-N 1 3 338.499 3.679 20 0 EHADHO C[NH+](C)CC[C@@H](N[C@@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170949464 1136996472 /nfs/dbraw/zinc/99/64/72/1136996472.db2.gz NIBAYCAJQIVJHW-WIYYLYMNSA-N 1 3 326.459 3.966 20 0 EHADHO C[C@@H](Cc1ccccc1Br)NCC[C@@H]1CCCC[NH2+]1 ZINC001246238917 1137095734 /nfs/dbraw/zinc/09/57/34/1137095734.db2.gz AWSYZGSQVNFFNP-ZFWWWQNUSA-N 1 3 325.294 3.502 20 0 EHADHO CSc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000173427472 1137106477 /nfs/dbraw/zinc/10/64/77/1137106477.db2.gz FAHYMYUTKDDURN-HOTGVXAUSA-N 1 3 334.529 3.560 20 0 EHADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000823916064 1137118071 /nfs/dbraw/zinc/11/80/71/1137118071.db2.gz VJOBOYFWEJKHIF-HSZRJFAPSA-N 1 3 344.609 3.802 20 0 EHADHO COc1cccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)c1 ZINC000844220853 1137203444 /nfs/dbraw/zinc/20/34/44/1137203444.db2.gz MMEVWOCZVLQINF-UHFFFAOYSA-N 1 3 331.485 3.520 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866240408 1137338103 /nfs/dbraw/zinc/33/81/03/1137338103.db2.gz DZQDQVLILRUUTE-QZTJIDSGSA-N 1 3 325.500 3.877 20 0 EHADHO C[C@H]1C[C@@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000866470637 1137357602 /nfs/dbraw/zinc/35/76/02/1137357602.db2.gz WOHCSLBAJSGANS-FXAWDEMLSA-N 1 3 338.499 3.781 20 0 EHADHO COC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC1 ZINC000716678299 1137488201 /nfs/dbraw/zinc/48/82/01/1137488201.db2.gz JEYLXKVUIGLLJC-ZCNNSNEGSA-N 1 3 328.500 3.588 20 0 EHADHO Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)nc1 ZINC000716709218 1137488700 /nfs/dbraw/zinc/48/87/00/1137488700.db2.gz RRSCHRCGKOIWHZ-BVSLBCMMSA-N 1 3 335.495 3.575 20 0 EHADHO Cc1cccc2c1CC[C@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)C2 ZINC001171559673 1137498000 /nfs/dbraw/zinc/49/80/00/1137498000.db2.gz KAKMVVHPKXUBTP-QFIPXVFZSA-N 1 3 349.522 3.749 20 0 EHADHO CN1C(C)(C)CC([N@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1(C)C ZINC001171623521 1137501302 /nfs/dbraw/zinc/50/13/02/1137501302.db2.gz BJGJMZPXFQSIFK-UHFFFAOYSA-N 1 3 347.591 3.867 20 0 EHADHO CN1C(C)(C)CC([N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1(C)C ZINC001171623521 1137501304 /nfs/dbraw/zinc/50/13/04/1137501304.db2.gz BJGJMZPXFQSIFK-UHFFFAOYSA-N 1 3 347.591 3.867 20 0 EHADHO CN1C(C)(C)CC([N@H+](Cc2ccccc2)CC(C)(C)O)CC1(C)C ZINC001171643486 1137505070 /nfs/dbraw/zinc/50/50/70/1137505070.db2.gz VPRISEMQZNIXAS-UHFFFAOYSA-N 1 3 332.532 3.911 20 0 EHADHO CN1C(C)(C)CC([N@@H+](Cc2ccccc2)CC(C)(C)O)CC1(C)C ZINC001171643486 1137505072 /nfs/dbraw/zinc/50/50/72/1137505072.db2.gz VPRISEMQZNIXAS-UHFFFAOYSA-N 1 3 332.532 3.911 20 0 EHADHO CN1CCCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171967831 1137520629 /nfs/dbraw/zinc/52/06/29/1137520629.db2.gz NNOVJHINXDMKFI-UXHICEINSA-N 1 3 329.532 3.504 20 0 EHADHO CCOC(=O)C1(C)CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171941385 1137521860 /nfs/dbraw/zinc/52/18/60/1137521860.db2.gz PNNLYBRTPIAQMQ-UHFFFAOYSA-N 1 3 338.536 3.739 20 0 EHADHO CC1(C)C[C@H](NCCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001171982683 1137526516 /nfs/dbraw/zinc/52/65/16/1137526516.db2.gz JRMDBHSEOILXNY-HXUWFJFHSA-N 1 3 338.495 3.968 20 0 EHADHO CC1(C)C[C@H](NCCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC001171982683 1137526518 /nfs/dbraw/zinc/52/65/18/1137526518.db2.gz JRMDBHSEOILXNY-HXUWFJFHSA-N 1 3 338.495 3.968 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062704 1137533161 /nfs/dbraw/zinc/53/31/61/1137533161.db2.gz QUULFEXRMZYQMW-NMIHRBCNSA-N 1 3 341.543 3.646 20 0 EHADHO CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172066567 1137533439 /nfs/dbraw/zinc/53/34/39/1137533439.db2.gz ZUCVNYGFIIINJE-MYGLTJDJSA-N 1 3 341.543 3.644 20 0 EHADHO FC(F)(F)OCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066356 1137533551 /nfs/dbraw/zinc/53/35/51/1137533551.db2.gz WBJYZIFUBOGEFX-OSYLJGHBSA-N 1 3 342.405 3.698 20 0 EHADHO FC(F)(F)OCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066356 1137533553 /nfs/dbraw/zinc/53/35/53/1137533553.db2.gz WBJYZIFUBOGEFX-OSYLJGHBSA-N 1 3 342.405 3.698 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCN(Cc3ccccc3)CC1)C2 ZINC001172112046 1137537808 /nfs/dbraw/zinc/53/78/08/1137537808.db2.gz ZQJUJYRPMDSYEA-WKCHPHFGSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172113810 1137537892 /nfs/dbraw/zinc/53/78/92/1137537892.db2.gz MODLEHXTNQPETP-VOFPXKNKSA-N 1 3 341.543 3.502 20 0 EHADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(C(F)(F)F)nc1 ZINC000872154852 1137574061 /nfs/dbraw/zinc/57/40/61/1137574061.db2.gz CJZZINKMENTERY-GFCCVEGCSA-N 1 3 335.373 3.597 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC000877684711 1137685862 /nfs/dbraw/zinc/68/58/62/1137685862.db2.gz UFTPCRGYGWDTJX-UHFFFAOYSA-N 1 3 345.437 3.821 20 0 EHADHO c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)c2c(c1)COCC2 ZINC000882880762 1137836577 /nfs/dbraw/zinc/83/65/77/1137836577.db2.gz HOYPSCQCKNPEHB-UHFFFAOYSA-N 1 3 336.479 3.645 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1C ZINC000885924620 1138025088 /nfs/dbraw/zinc/02/50/88/1138025088.db2.gz RQYRCOUFMACTAK-HZPDHXFCSA-N 1 3 340.515 3.794 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000885954060 1138028289 /nfs/dbraw/zinc/02/82/89/1138028289.db2.gz MIVXYULLMPMZCI-UHFFFAOYSA-N 1 3 326.488 3.692 20 0 EHADHO CC(C)[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000886502527 1138084749 /nfs/dbraw/zinc/08/47/49/1138084749.db2.gz BJMWKCLIPLGAQG-HXUWFJFHSA-N 1 3 328.504 3.747 20 0 EHADHO CC(C)[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000886502527 1138084752 /nfs/dbraw/zinc/08/47/52/1138084752.db2.gz BJMWKCLIPLGAQG-HXUWFJFHSA-N 1 3 328.504 3.747 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886609381 1138101357 /nfs/dbraw/zinc/10/13/57/1138101357.db2.gz RTBFJSWHUGQVRR-BBWFWOEESA-N 1 3 338.417 3.972 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886609381 1138101359 /nfs/dbraw/zinc/10/13/59/1138101359.db2.gz RTBFJSWHUGQVRR-BBWFWOEESA-N 1 3 338.417 3.972 20 0 EHADHO FC(F)(F)C1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886609381 1138101361 /nfs/dbraw/zinc/10/13/61/1138101361.db2.gz RTBFJSWHUGQVRR-BBWFWOEESA-N 1 3 338.417 3.972 20 0 EHADHO COCC1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886615545 1138102531 /nfs/dbraw/zinc/10/25/31/1138102531.db2.gz ITLAOMOORSFZJW-ACRUOGEOSA-N 1 3 342.527 3.836 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886628131 1138103631 /nfs/dbraw/zinc/10/36/31/1138103631.db2.gz GUCHTMVWNXAGNN-XIYVOTBMSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090400442 1138210300 /nfs/dbraw/zinc/21/03/00/1138210300.db2.gz OEYHFYMARDKXTR-VNQPRFMTSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400442 1138210303 /nfs/dbraw/zinc/21/03/03/1138210303.db2.gz OEYHFYMARDKXTR-VNQPRFMTSA-N 1 3 337.305 3.597 20 0 EHADHO COc1cc(C)cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090723881 1138213045 /nfs/dbraw/zinc/21/30/45/1138213045.db2.gz SPBDDTSFZWTBLU-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1N(C)C ZINC000123693200 1138273503 /nfs/dbraw/zinc/27/35/03/1138273503.db2.gz YLMHZPBEVCDMQG-OAHLLOKOSA-N 1 3 329.463 3.804 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000123956120 1138276828 /nfs/dbraw/zinc/27/68/28/1138276828.db2.gz WFQPXMAQYGYKIF-UPCLLVRISA-N 1 3 344.524 3.727 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000123956120 1138276829 /nfs/dbraw/zinc/27/68/29/1138276829.db2.gz WFQPXMAQYGYKIF-UPCLLVRISA-N 1 3 344.524 3.727 20 0 EHADHO COCCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000177970774 1139659885 /nfs/dbraw/zinc/65/98/85/1139659885.db2.gz AIELSCKFOMHZBJ-INIZCTEOSA-N 1 3 338.923 3.957 20 0 EHADHO CC[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000188243879 1140288181 /nfs/dbraw/zinc/28/81/81/1140288181.db2.gz LRNXCGKORAEHJJ-AABGKKOBSA-N 1 3 334.479 3.634 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402514 1141218744 /nfs/dbraw/zinc/21/87/44/1141218744.db2.gz AHLZOWSTHJQZED-NPPFBWRTSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(CO)c1 ZINC000270402514 1141218748 /nfs/dbraw/zinc/21/87/48/1141218748.db2.gz AHLZOWSTHJQZED-NPPFBWRTSA-N 1 3 338.495 3.883 20 0 EHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271646549 1141411755 /nfs/dbraw/zinc/41/17/55/1141411755.db2.gz FLLFEAJKWLVQBH-VAMGGRTRSA-N 1 3 348.918 3.759 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Br)cc1 ZINC000049856231 214034398 /nfs/dbraw/zinc/03/43/98/214034398.db2.gz GWGSOGFGHKLCLT-XJKSGUPXSA-N 1 3 325.294 3.974 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000040227467 518215810 /nfs/dbraw/zinc/21/58/10/518215810.db2.gz WGUUGOLRWXBKMY-SJCJKPOMSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040227467 518215814 /nfs/dbraw/zinc/21/58/14/518215814.db2.gz WGUUGOLRWXBKMY-SJCJKPOMSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000040227469 518217362 /nfs/dbraw/zinc/21/73/62/518217362.db2.gz WGUUGOLRWXBKMY-PXAZEXFGSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000040227469 518217372 /nfs/dbraw/zinc/21/73/72/518217372.db2.gz WGUUGOLRWXBKMY-PXAZEXFGSA-N 1 3 335.289 3.510 20 0 EHADHO Cc1cc(C)c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476578 1032074156 /nfs/dbraw/zinc/07/41/56/1032074156.db2.gz UHRBEBYPBHCONF-RBBKRZOGSA-N 1 3 336.479 3.957 20 0 EHADHO CC(C)CN1CCC([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538063364 1032124441 /nfs/dbraw/zinc/12/44/41/1032124441.db2.gz SIWSLTYIJAWWCS-LJQANCHMSA-N 1 3 345.487 3.941 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000155221287 1016320190 /nfs/dbraw/zinc/32/01/90/1016320190.db2.gz AFSAGFKFLWVMCJ-HNNXBMFYSA-N 1 3 346.906 3.636 20 0 EHADHO CCCN(C)[C@@H](C[NH2+]C1CCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000459546529 1032264673 /nfs/dbraw/zinc/26/46/73/1032264673.db2.gz SVXVKBXMJQKUAB-FQEVSTJZSA-N 1 3 349.950 3.939 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440237 1032300189 /nfs/dbraw/zinc/30/01/89/1032300189.db2.gz KRPKRKNPKUCEQI-CDXJDZJCSA-N 1 3 348.506 3.626 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440237 1032300199 /nfs/dbraw/zinc/30/01/99/1032300199.db2.gz KRPKRKNPKUCEQI-CDXJDZJCSA-N 1 3 348.506 3.626 20 0 EHADHO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccs1 ZINC000536846392 1032340181 /nfs/dbraw/zinc/34/01/81/1032340181.db2.gz PGPLKWNHOIWSON-BZSNNMDCSA-N 1 3 336.545 3.803 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000459730606 1032434466 /nfs/dbraw/zinc/43/44/66/1032434466.db2.gz KUEUUDQXHHTDJI-INIZCTEOSA-N 1 3 335.923 3.762 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2c(Cl)cccc2N2CCCC2)C1 ZINC000459730606 1032434470 /nfs/dbraw/zinc/43/44/70/1032434470.db2.gz KUEUUDQXHHTDJI-INIZCTEOSA-N 1 3 335.923 3.762 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2OC(F)F)C1 ZINC000459730126 1032434757 /nfs/dbraw/zinc/43/47/57/1032434757.db2.gz JWMZBGREVVDFBK-GFCCVEGCSA-N 1 3 332.822 3.763 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2OC(F)F)C1 ZINC000459730126 1032434761 /nfs/dbraw/zinc/43/47/61/1032434761.db2.gz JWMZBGREVVDFBK-GFCCVEGCSA-N 1 3 332.822 3.763 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]Cc2sccc2C)CC1 ZINC000088693730 1032508202 /nfs/dbraw/zinc/50/82/02/1032508202.db2.gz ZUMNHONYOCBSPC-UHFFFAOYSA-N 1 3 343.540 3.878 20 0 EHADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000537294384 1032601513 /nfs/dbraw/zinc/60/15/13/1032601513.db2.gz CCPDUDRDYUXMCM-KRWDZBQOSA-N 1 3 343.515 3.673 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(Cl)c(F)c2)CC1 ZINC000449483933 1032633251 /nfs/dbraw/zinc/63/32/51/1032633251.db2.gz DKHURAGPCAESOH-UHFFFAOYSA-N 1 3 328.859 3.710 20 0 EHADHO CC[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000163677368 1017351959 /nfs/dbraw/zinc/35/19/59/1017351959.db2.gz NADMPWWKKLSAOU-UZLBHIALSA-N 1 3 327.472 3.824 20 0 EHADHO [NH3+][C@H]1C[C@H](NCCc2cccc(Br)c2)c2ccccc21 ZINC000313735092 1017525356 /nfs/dbraw/zinc/52/53/56/1017525356.db2.gz GPNGUCICJKXTDC-IRXDYDNUSA-N 1 3 331.257 3.726 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415128184 1017593777 /nfs/dbraw/zinc/59/37/77/1017593777.db2.gz RUSRKYHYXJVCEG-CTNGQTDRSA-N 1 3 346.515 3.584 20 0 EHADHO C[NH2+]CCC1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000070189652 1017866172 /nfs/dbraw/zinc/86/61/72/1017866172.db2.gz SDPJMNHJYVDXFJ-UHFFFAOYSA-N 1 3 331.287 3.694 20 0 EHADHO c1cc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543299 1032733248 /nfs/dbraw/zinc/73/32/48/1032733248.db2.gz SJSIWVLEZDVUOS-PZJWPPBQSA-N 1 3 343.515 3.688 20 0 EHADHO c1cc([C@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543299 1032733263 /nfs/dbraw/zinc/73/32/63/1032733263.db2.gz SJSIWVLEZDVUOS-PZJWPPBQSA-N 1 3 343.515 3.688 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000655939750 1017967689 /nfs/dbraw/zinc/96/76/89/1017967689.db2.gz KOOISWSOBCYFFL-TZIWHRDSSA-N 1 3 346.515 3.537 20 0 EHADHO c1c2ccccc2[nH]c1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000683927136 1019292865 /nfs/dbraw/zinc/29/28/65/1019292865.db2.gz LJIWYLXUFIZPQV-IBGZPJMESA-N 1 3 333.479 3.822 20 0 EHADHO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000580471662 1019425324 /nfs/dbraw/zinc/42/53/24/1019425324.db2.gz BCDJVYOTXDAPMZ-SFHLNBCPSA-N 1 3 329.532 3.504 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000513678617 1019928352 /nfs/dbraw/zinc/92/83/52/1019928352.db2.gz PWGVSXIBMNIHTM-CWRNSKLLSA-N 1 3 342.405 3.547 20 0 EHADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000089143668 1020302469 /nfs/dbraw/zinc/30/24/69/1020302469.db2.gz MORRPCIAMGFNEI-NJZAAPMLSA-N 1 3 341.293 3.626 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cnn3ccccc23)CC1)CC(C)C ZINC000581159323 1020493430 /nfs/dbraw/zinc/49/34/30/1020493430.db2.gz XBGGBMOZDPGKNL-UHFFFAOYSA-N 1 3 342.531 3.914 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cnn3ccccc23)CC1)CC(C)C ZINC000581159323 1020493438 /nfs/dbraw/zinc/49/34/38/1020493438.db2.gz XBGGBMOZDPGKNL-UHFFFAOYSA-N 1 3 342.531 3.914 20 0 EHADHO CC(C)C[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cccs1 ZINC000501055258 1020675773 /nfs/dbraw/zinc/67/57/73/1020675773.db2.gz AOTFXCHQVMBXOH-SFHVURJKSA-N 1 3 337.577 3.841 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558278 1032970676 /nfs/dbraw/zinc/97/06/76/1032970676.db2.gz KMAJYJBGFQVJIX-HKUYNNGSSA-N 1 3 344.499 3.676 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558278 1032970693 /nfs/dbraw/zinc/97/06/93/1032970693.db2.gz KMAJYJBGFQVJIX-HKUYNNGSSA-N 1 3 344.499 3.676 20 0 EHADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cccc3cccnc32)cc1 ZINC000414994960 1021367740 /nfs/dbraw/zinc/36/77/40/1021367740.db2.gz FGNCUTCGXCFRPJ-CTNGQTDRSA-N 1 3 349.453 3.857 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1O ZINC000426403112 1021504864 /nfs/dbraw/zinc/50/48/64/1021504864.db2.gz VNNCFTIFKFDEMS-SJORKVTESA-N 1 3 334.504 3.576 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3nc(C)sc3c2)C1 ZINC000426417921 1021535273 /nfs/dbraw/zinc/53/52/73/1021535273.db2.gz UZHJPJQWCLSTSN-QGZVFWFLSA-N 1 3 347.528 3.537 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000519381523 1022055486 /nfs/dbraw/zinc/05/54/86/1022055486.db2.gz SIPNKJRXJYABFO-KFKAGJAMSA-N 1 3 335.923 3.584 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000341521197 1022056813 /nfs/dbraw/zinc/05/68/13/1022056813.db2.gz BONQZJOWLFFIIG-UHFFFAOYSA-N 1 3 343.519 3.600 20 0 EHADHO C[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437699268 1022067753 /nfs/dbraw/zinc/06/77/53/1022067753.db2.gz IAQOSVWFLUFDRD-KZNAEPCWSA-N 1 3 348.506 3.750 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1(C)C ZINC000441341942 1022179570 /nfs/dbraw/zinc/17/95/70/1022179570.db2.gz QBULWKSAAPKBDC-LEWJYISDSA-N 1 3 343.559 3.719 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000506863457 1022966420 /nfs/dbraw/zinc/96/64/20/1022966420.db2.gz WQGFSXXDVYPMSO-UHFFFAOYSA-N 1 3 336.545 3.971 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1 ZINC000414958414 1023048162 /nfs/dbraw/zinc/04/81/62/1023048162.db2.gz WSHJZHVQUBRZOW-LIRRHRJNSA-N 1 3 330.422 3.827 20 0 EHADHO C[C@@H](c1ccccc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198151 1033106202 /nfs/dbraw/zinc/10/62/02/1033106202.db2.gz CSARPUJJHQZBEB-GUYCJALGSA-N 1 3 337.305 3.974 20 0 EHADHO c1cncc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001168003365 1024116162 /nfs/dbraw/zinc/11/61/62/1024116162.db2.gz OBRMGMXCEOGDCW-WCRBZPEASA-N 1 3 325.500 3.666 20 0 EHADHO c1cncc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168003365 1024116165 /nfs/dbraw/zinc/11/61/65/1024116165.db2.gz OBRMGMXCEOGDCW-WCRBZPEASA-N 1 3 325.500 3.666 20 0 EHADHO C[C@H]1CC(NCCc2ccccc2O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168021866 1024128164 /nfs/dbraw/zinc/12/81/64/1024128164.db2.gz QOAQBKQLHKWJCN-ROUUACIJSA-N 1 3 338.495 3.966 20 0 EHADHO CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(C)C ZINC000474096552 1024154432 /nfs/dbraw/zinc/15/44/32/1024154432.db2.gz NALNCTSBWBKPEH-NCYKPQTJSA-N 1 3 330.516 3.548 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000443616142 1024237554 /nfs/dbraw/zinc/23/75/54/1024237554.db2.gz LSNNHCYLUJGOOC-KXBFYZLASA-N 1 3 336.907 3.760 20 0 EHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853113 1024402657 /nfs/dbraw/zinc/40/26/57/1024402657.db2.gz RVJGNNAHMWPGNG-CXAGYDPISA-N 1 3 337.895 3.554 20 0 EHADHO CCn1nc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)c2ccccc21 ZINC000472050372 1024486056 /nfs/dbraw/zinc/48/60/56/1024486056.db2.gz XXZSIODGLTZFSA-QGZVFWFLSA-N 1 3 328.504 3.658 20 0 EHADHO CCn1nc(CNCCCC[N@H+]2CCC[C@@H](C)C2)c2ccccc21 ZINC000472050372 1024486070 /nfs/dbraw/zinc/48/60/70/1024486070.db2.gz XXZSIODGLTZFSA-QGZVFWFLSA-N 1 3 328.504 3.658 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c(C)c1 ZINC000414858603 1024506267 /nfs/dbraw/zinc/50/62/67/1024506267.db2.gz KGAKGUJKKGHSET-QGZVFWFLSA-N 1 3 331.504 3.662 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000665231998 1024686767 /nfs/dbraw/zinc/68/67/67/1024686767.db2.gz CVLVFDZZZXGABS-BDTNDASRSA-N 1 3 335.495 3.802 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000665231998 1024686777 /nfs/dbraw/zinc/68/67/77/1024686777.db2.gz CVLVFDZZZXGABS-BDTNDASRSA-N 1 3 335.495 3.802 20 0 EHADHO c1cc2cc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2o1 ZINC000665238294 1024731381 /nfs/dbraw/zinc/73/13/81/1024731381.db2.gz VJSQILGQYYXUCA-WIYYLYMNSA-N 1 3 334.419 3.778 20 0 EHADHO c1cc2cc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2o1 ZINC000665238292 1024731973 /nfs/dbraw/zinc/73/19/73/1024731973.db2.gz VJSQILGQYYXUCA-NQIIRXRSSA-N 1 3 334.419 3.778 20 0 EHADHO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375028 1024841347 /nfs/dbraw/zinc/84/13/47/1024841347.db2.gz ZAOPUYIVLHZLDS-DOTOQJQBSA-N 1 3 340.467 3.540 20 0 EHADHO CCN(Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387347 1024871706 /nfs/dbraw/zinc/87/17/06/1024871706.db2.gz ZRZHIUKTLGUQBV-OAHLLOKOSA-N 1 3 330.394 3.592 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+][C@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942139 1025017259 /nfs/dbraw/zinc/01/72/59/1025017259.db2.gz XDZRXUSFQCGXRR-DFQSSKMNSA-N 1 3 348.531 3.873 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991345 1025165659 /nfs/dbraw/zinc/16/56/59/1025165659.db2.gz VQCCAYFGYAARHU-LBPRGKRZSA-N 1 3 335.439 3.764 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991345 1025165667 /nfs/dbraw/zinc/16/56/67/1025165667.db2.gz VQCCAYFGYAARHU-LBPRGKRZSA-N 1 3 335.439 3.764 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1OC ZINC000474601870 1025189378 /nfs/dbraw/zinc/18/93/78/1025189378.db2.gz MHPRSEIHWWQYEY-KURKYZTESA-N 1 3 348.531 3.907 20 0 EHADHO CCCOc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924999873 1025217783 /nfs/dbraw/zinc/21/77/83/1025217783.db2.gz OFTRMDYTGVEIMI-MRXNPFEDSA-N 1 3 327.472 3.783 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346838884 1025228167 /nfs/dbraw/zinc/22/81/67/1025228167.db2.gz RTPBERPEQQNCCF-PWIZWCRZSA-N 1 3 338.499 3.555 20 0 EHADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000346856185 1025245727 /nfs/dbraw/zinc/24/57/27/1025245727.db2.gz DUODZOCWOWHCGZ-ZWKOTPCHSA-N 1 3 326.488 3.787 20 0 EHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766130 1025476962 /nfs/dbraw/zinc/47/69/62/1025476962.db2.gz WCHLXMNTYWBJMF-YJBOKZPZSA-N 1 3 328.431 3.574 20 0 EHADHO Cc1ccc([C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CCCC2)cc1 ZINC000442878042 1025558329 /nfs/dbraw/zinc/55/83/29/1025558329.db2.gz SDCMMKJJMHNPCM-NRFANRHFSA-N 1 3 343.559 3.842 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1(C)C ZINC000442893292 1025574398 /nfs/dbraw/zinc/57/43/98/1025574398.db2.gz XQORFPPQOQXMFA-GOSISDBHSA-N 1 3 335.561 3.595 20 0 EHADHO Fc1ccc(C(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301342 1025786112 /nfs/dbraw/zinc/78/61/12/1025786112.db2.gz BXDCVRFLSLFCDM-ROUUACIJSA-N 1 3 342.433 3.638 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000467347528 1025993424 /nfs/dbraw/zinc/99/34/24/1025993424.db2.gz TUCBEUFJLGQHAY-WKWVNEEDSA-N 1 3 334.548 3.824 20 0 EHADHO CSc1ccccc1C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000511117931 1026180519 /nfs/dbraw/zinc/18/05/19/1026180519.db2.gz ZYKRBLZCMVWZEJ-IRXDYDNUSA-N 1 3 348.556 3.730 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1csc(C(F)(F)F)c1 ZINC000925238810 1026360118 /nfs/dbraw/zinc/36/01/18/1026360118.db2.gz ATVZGLFLTKMFIN-YPMHNXCESA-N 1 3 338.439 3.774 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603472 1026379501 /nfs/dbraw/zinc/37/95/01/1026379501.db2.gz YWFNFOXOCMDURY-XHDPSFHLSA-N 1 3 343.334 3.893 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190603472 1026379515 /nfs/dbraw/zinc/37/95/15/1026379515.db2.gz YWFNFOXOCMDURY-XHDPSFHLSA-N 1 3 343.334 3.893 20 0 EHADHO CCc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000582488549 1026408609 /nfs/dbraw/zinc/40/86/09/1026408609.db2.gz JPAJERZRJUTHDB-HDICACEKSA-N 1 3 341.524 3.804 20 0 EHADHO O=C(CCCN1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000324923679 1026499427 /nfs/dbraw/zinc/49/94/27/1026499427.db2.gz SJHIWBRQHHZHMG-UHFFFAOYSA-N 1 3 332.463 3.596 20 0 EHADHO Cc1cc(C)c(NC(=O)CCCN(C)CCC[NH+]2CCCC2)c(C)c1 ZINC000685004210 1027030929 /nfs/dbraw/zinc/03/09/29/1027030929.db2.gz KSGZQXVQXCJWIH-UHFFFAOYSA-N 1 3 345.531 3.748 20 0 EHADHO CC[NH+](CC)CCOC1CCN(c2ccnc3ccccc32)CC1 ZINC000075063822 1027084590 /nfs/dbraw/zinc/08/45/90/1027084590.db2.gz DODLGRPXSMZYNM-UHFFFAOYSA-N 1 3 327.472 3.562 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NC/C(C)=C\c2ccccc2)[C@H](C)C1 ZINC000501428764 1027276176 /nfs/dbraw/zinc/27/61/76/1027276176.db2.gz ZFFTVWGTRFXQFW-GYBCBDBMSA-N 1 3 330.516 3.817 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NC/C(C)=C\c2ccccc2)[C@H](C)C1 ZINC000501428764 1027276196 /nfs/dbraw/zinc/27/61/96/1027276196.db2.gz ZFFTVWGTRFXQFW-GYBCBDBMSA-N 1 3 330.516 3.817 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420316042 1027463731 /nfs/dbraw/zinc/46/37/31/1027463731.db2.gz SNDDVAUWJSTLPI-FCHUYYIVSA-N 1 3 337.511 3.686 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420316042 1027463741 /nfs/dbraw/zinc/46/37/41/1027463741.db2.gz SNDDVAUWJSTLPI-FCHUYYIVSA-N 1 3 337.511 3.686 20 0 EHADHO Fc1cc(Br)cc([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)c1 ZINC000420363728 1027488425 /nfs/dbraw/zinc/48/84/25/1027488425.db2.gz CEABBJIRWFHEPZ-MLGOLLRUSA-N 1 3 341.268 3.725 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597258 1027559167 /nfs/dbraw/zinc/55/91/67/1027559167.db2.gz RJOXRUQMNQZYCP-HXUWFJFHSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597258 1027559181 /nfs/dbraw/zinc/55/91/81/1027559181.db2.gz RJOXRUQMNQZYCP-HXUWFJFHSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1F ZINC000657612934 1027632516 /nfs/dbraw/zinc/63/25/16/1027632516.db2.gz FWPWVOLWKYYMBB-UHFFFAOYSA-N 1 3 327.447 3.531 20 0 EHADHO Cc1cc(C[NH2+]C2CC(N3CCCCC3)C2)ccc1Br ZINC000475576662 1027681900 /nfs/dbraw/zinc/68/19/00/1027681900.db2.gz ATVAOZRPWVWWCB-UHFFFAOYSA-N 1 3 337.305 3.864 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607471 1027792263 /nfs/dbraw/zinc/79/22/63/1027792263.db2.gz GTCBJVHUXQOZIE-HOTGVXAUSA-N 1 3 329.513 3.960 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000536607471 1027792282 /nfs/dbraw/zinc/79/22/82/1027792282.db2.gz GTCBJVHUXQOZIE-HOTGVXAUSA-N 1 3 329.513 3.960 20 0 EHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2ccccc2n1C ZINC000246149995 1027824007 /nfs/dbraw/zinc/82/40/07/1027824007.db2.gz SVTSTCZOIRSWSE-DLBZAZTESA-N 1 3 328.504 3.736 20 0 EHADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccccc2n1C ZINC000246149995 1027824029 /nfs/dbraw/zinc/82/40/29/1027824029.db2.gz SVTSTCZOIRSWSE-DLBZAZTESA-N 1 3 328.504 3.736 20 0 EHADHO COc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3CN)CCCCC2)cc1OC ZINC000422735475 1027882131 /nfs/dbraw/zinc/88/21/31/1027882131.db2.gz UWUQCZRRZKGGKI-WMZOPIPTSA-N 1 3 346.515 3.623 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422773543 1027930695 /nfs/dbraw/zinc/93/06/95/1027930695.db2.gz UKGQJGJQTNKBHP-IRXDYDNUSA-N 1 3 334.467 3.755 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2ccccc2Br)CC1 ZINC000422775511 1027932219 /nfs/dbraw/zinc/93/22/19/1027932219.db2.gz BOXHRSQHLQOKQD-CVEARBPZSA-N 1 3 337.305 3.730 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(OC(F)(F)F)cc1 ZINC000422788512 1027961876 /nfs/dbraw/zinc/96/18/76/1027961876.db2.gz AVTSDIJEACUTJX-LLVKDONJSA-N 1 3 339.361 3.598 20 0 EHADHO COc1cc(C)c([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422852289 1027988287 /nfs/dbraw/zinc/98/82/87/1027988287.db2.gz AHRYLAUTGGPVDG-ZFWWWQNUSA-N 1 3 343.471 3.586 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1OC ZINC000502241710 1027990910 /nfs/dbraw/zinc/99/09/10/1027990910.db2.gz NMWSVHBSJXNUHL-WMZOPIPTSA-N 1 3 348.531 3.655 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422876079 1028006910 /nfs/dbraw/zinc/00/69/10/1028006910.db2.gz FYSNXBPFBOEOFT-FCEWJHQRSA-N 1 3 343.540 3.563 20 0 EHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881962 1028015264 /nfs/dbraw/zinc/01/52/64/1028015264.db2.gz RJVXSODFDPAEPO-JKSUJKDBSA-N 1 3 343.298 3.511 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422868466 1028027844 /nfs/dbraw/zinc/02/78/44/1028027844.db2.gz VBYVPNLMCYSATO-AVRDEDQJSA-N 1 3 338.495 3.881 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000422900557 1028035986 /nfs/dbraw/zinc/03/59/86/1028035986.db2.gz JOUDQKBGRSWKOR-KLHJMIIUSA-N 1 3 339.483 3.667 20 0 EHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nc(-c2ccncc2)cs1 ZINC000422912408 1028045774 /nfs/dbraw/zinc/04/57/74/1028045774.db2.gz NBLOPLFTQWWTMP-WBVHZDCISA-N 1 3 344.528 3.648 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000422951514 1028092878 /nfs/dbraw/zinc/09/28/78/1028092878.db2.gz YVNAZVKRXBFZKF-OAHLLOKOSA-N 1 3 327.472 3.702 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000422990537 1028100693 /nfs/dbraw/zinc/10/06/93/1028100693.db2.gz NPBGRAKZFHFLFA-NDXORKPFSA-N 1 3 339.483 3.637 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000422999157 1028113969 /nfs/dbraw/zinc/11/39/69/1028113969.db2.gz DTVFPDVRCBVTLX-AZUAARDMSA-N 1 3 337.467 3.546 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC000423009314 1028121873 /nfs/dbraw/zinc/12/18/73/1028121873.db2.gz CONJPAMWBZBCCB-AYOQOUSVSA-N 1 3 334.454 3.897 20 0 EHADHO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423010987 1028125395 /nfs/dbraw/zinc/12/53/95/1028125395.db2.gz HSFRVANCJJSXKO-CYBMUJFWSA-N 1 3 347.890 3.794 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(c2ccccc2Cl)CC1 ZINC000423015947 1028127858 /nfs/dbraw/zinc/12/78/58/1028127858.db2.gz AQMBLBAQVFBVFW-KXBFYZLASA-N 1 3 328.887 3.920 20 0 EHADHO CC(C)N1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423040873 1028147528 /nfs/dbraw/zinc/14/75/28/1028147528.db2.gz IFBFFVJGZCYMDU-LUVWLHFXSA-N 1 3 341.902 3.718 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161565133 1028175230 /nfs/dbraw/zinc/17/52/30/1028175230.db2.gz FTUHVQGSPRBUTE-QGZVFWFLSA-N 1 3 341.902 3.547 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423096757 1028179629 /nfs/dbraw/zinc/17/96/29/1028179629.db2.gz PSXJMVDDPVUGKV-WFGGJUAMSA-N 1 3 341.268 3.551 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000423193663 1028262278 /nfs/dbraw/zinc/26/22/78/1028262278.db2.gz XSJDHMGFEHADGK-CQSZACIVSA-N 1 3 337.389 3.931 20 0 EHADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(N)CCC1 ZINC000423317164 1028346226 /nfs/dbraw/zinc/34/62/26/1028346226.db2.gz CLKYXUGXHGEYHM-QMTHXVAHSA-N 1 3 341.318 3.703 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1NC(C)=O ZINC000423296399 1028353220 /nfs/dbraw/zinc/35/32/20/1028353220.db2.gz ZBUNAMFIVKEHOF-KGLIPLIRSA-N 1 3 341.455 3.524 20 0 EHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Br)c1 ZINC000423362915 1028389732 /nfs/dbraw/zinc/38/97/32/1028389732.db2.gz UDNGNZXHIXWSAX-LBPRGKRZSA-N 1 3 331.257 3.903 20 0 EHADHO COc1cc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)ccc1SC ZINC000423376065 1028396961 /nfs/dbraw/zinc/39/69/61/1028396961.db2.gz JAYWSJBSEAXRGT-CYBMUJFWSA-N 1 3 328.481 3.871 20 0 EHADHO COCC1(CN[C@@H](C)c2cc(Cl)sc2Cl)CC[NH2+]CC1 ZINC000423397537 1028406932 /nfs/dbraw/zinc/40/69/32/1028406932.db2.gz SNUZPIATHDRJSR-JTQLQIEISA-N 1 3 337.316 3.722 20 0 EHADHO C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423409580 1028424897 /nfs/dbraw/zinc/42/48/97/1028424897.db2.gz YWNQXYNLMWVFKD-BLTAXRJOSA-N 1 3 331.287 3.737 20 0 EHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466279 1028453116 /nfs/dbraw/zinc/45/31/16/1028453116.db2.gz NFYAFYFEPFGDBV-UKRRQHHQSA-N 1 3 331.485 3.523 20 0 EHADHO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423516578 1028493318 /nfs/dbraw/zinc/49/33/18/1028493318.db2.gz YCVHXNRALBJCOE-IERDGZPVSA-N 1 3 334.467 3.785 20 0 EHADHO COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195136058 1028583827 /nfs/dbraw/zinc/58/38/27/1028583827.db2.gz XOVBXAJVWRXETL-WBVHZDCISA-N 1 3 330.497 3.929 20 0 EHADHO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000195132666 1028584677 /nfs/dbraw/zinc/58/46/77/1028584677.db2.gz XWWUWBXZNOUXJS-HKUYNNGSSA-N 1 3 326.488 3.637 20 0 EHADHO Cc1sc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000246549922 1028655236 /nfs/dbraw/zinc/65/52/36/1028655236.db2.gz WLTGSNDAKLHUAD-MSOLQXFVSA-N 1 3 341.524 3.877 20 0 EHADHO Cc1sc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000246549922 1028655243 /nfs/dbraw/zinc/65/52/43/1028655243.db2.gz WLTGSNDAKLHUAD-MSOLQXFVSA-N 1 3 341.524 3.877 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccco1 ZINC000247245183 1028763222 /nfs/dbraw/zinc/76/32/22/1028763222.db2.gz ZEEPSAGHXMAWPY-IXDOHACOSA-N 1 3 328.456 3.740 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414776378 1028829310 /nfs/dbraw/zinc/82/93/10/1028829310.db2.gz HFJNDUJUKDBWRY-OLZOCXBDSA-N 1 3 343.334 3.641 20 0 EHADHO CC(C)n1cncc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000424157015 1028848062 /nfs/dbraw/zinc/84/80/62/1028848062.db2.gz QGHMALQFSDSEKZ-ROUUACIJSA-N 1 3 340.515 3.710 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299801 1028941156 /nfs/dbraw/zinc/94/11/56/1028941156.db2.gz VWMXATGWPJAGFB-CYBMUJFWSA-N 1 3 331.485 3.676 20 0 EHADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000249125279 1028991628 /nfs/dbraw/zinc/99/16/28/1028991628.db2.gz UBUGZQXTSMDJLF-WLRLJWMZSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000249125279 1028991632 /nfs/dbraw/zinc/99/16/32/1028991632.db2.gz UBUGZQXTSMDJLF-WLRLJWMZSA-N 1 3 328.500 3.540 20 0 EHADHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000503051153 1028997672 /nfs/dbraw/zinc/99/76/72/1028997672.db2.gz HGCZQURCSZMQKF-HNNXBMFYSA-N 1 3 325.294 3.758 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000161668567 1029261496 /nfs/dbraw/zinc/26/14/96/1029261496.db2.gz GEOSMBRPGVGTSJ-ROUUACIJSA-N 1 3 325.500 3.793 20 0 EHADHO CSC1(CNCc2ncc(-c3ccccc3)s2)CC[NH+](C)CC1 ZINC000353193600 1029434913 /nfs/dbraw/zinc/43/49/13/1029434913.db2.gz ODQDNUDGIVOUNG-UHFFFAOYSA-N 1 3 347.553 3.727 20 0 EHADHO CC(C)CC[NH+]1CCC(NCCc2cc(C(F)(F)F)ccn2)CC1 ZINC000926484590 1029715480 /nfs/dbraw/zinc/71/54/80/1029715480.db2.gz ATUBGKRJSADGRB-UHFFFAOYSA-N 1 3 343.437 3.743 20 0 EHADHO CC(C)CCN1CCC([NH2+]CCc2cc(C(F)(F)F)ccn2)CC1 ZINC000926484590 1029715485 /nfs/dbraw/zinc/71/54/85/1029715485.db2.gz ATUBGKRJSADGRB-UHFFFAOYSA-N 1 3 343.437 3.743 20 0 EHADHO Cc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508694338 1029740228 /nfs/dbraw/zinc/74/02/28/1029740228.db2.gz FXSQSAVUXMVRHN-PZJWPPBQSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1 ZINC000508716229 1029797478 /nfs/dbraw/zinc/79/74/78/1029797478.db2.gz KJUGZDBCOUBZET-SVFBPWRDSA-N 1 3 338.495 3.954 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000360041678 1029834603 /nfs/dbraw/zinc/83/46/03/1029834603.db2.gz ZAAUNNYLOBBMSQ-NRFANRHFSA-N 1 3 331.548 3.699 20 0 EHADHO CN1CCC[C@H](C[N@H+](C)CCOc2cc(Cl)ccc2Cl)C1 ZINC000525488505 1029867367 /nfs/dbraw/zinc/86/73/67/1029867367.db2.gz UFUROJHYOWEJQA-ZDUSSCGKSA-N 1 3 331.287 3.646 20 0 EHADHO CN1CCC[C@H](C[N@@H+](C)CCOc2cc(Cl)ccc2Cl)C1 ZINC000525488505 1029867374 /nfs/dbraw/zinc/86/73/74/1029867374.db2.gz UFUROJHYOWEJQA-ZDUSSCGKSA-N 1 3 331.287 3.646 20 0 EHADHO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453240279 1029967560 /nfs/dbraw/zinc/96/75/60/1029967560.db2.gz VQOSKAFMFNNTAW-BDKRGJGYSA-N 1 3 344.543 3.675 20 0 EHADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525625913 1029996837 /nfs/dbraw/zinc/99/68/37/1029996837.db2.gz SEHWRPWIKRTACY-CBNMVNINSA-N 1 3 349.607 3.941 20 0 EHADHO C[N@H+]1CCCC[C@H]1CN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525625913 1029996852 /nfs/dbraw/zinc/99/68/52/1029996852.db2.gz SEHWRPWIKRTACY-CBNMVNINSA-N 1 3 349.607 3.941 20 0 EHADHO Cc1c([C@@H](C)[NH2+][C@H](C)CCN(C)C)cnn1-c1cc(C)ccc1C ZINC000481950457 1030129381 /nfs/dbraw/zinc/12/93/81/1030129381.db2.gz BJRDKMWCGNVGBH-IAGOWNOFSA-N 1 3 328.504 3.788 20 0 EHADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937310 1030198433 /nfs/dbraw/zinc/19/84/33/1030198433.db2.gz KXTMFXSQPMWZGJ-QFBILLFUSA-N 1 3 339.483 3.669 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)[C@H](C)C1 ZINC000121702210 1030348762 /nfs/dbraw/zinc/34/87/62/1030348762.db2.gz NOGOROSUIRDNBY-YLJYHZDGSA-N 1 3 340.515 3.816 20 0 EHADHO C[NH+](C)CCOCCN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000447601799 1030354640 /nfs/dbraw/zinc/35/46/40/1030354640.db2.gz RCOJDEXSNBXPEO-IBGZPJMESA-N 1 3 332.875 3.597 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740066 1030444097 /nfs/dbraw/zinc/44/40/97/1030444097.db2.gz FVTXTYNLZLDZIJ-AWEZNQCLSA-N 1 3 327.447 3.760 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447854311 1030545496 /nfs/dbraw/zinc/54/54/96/1030545496.db2.gz KXZJKAMZCCXMCA-HDICACEKSA-N 1 3 340.515 3.924 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447854311 1030545506 /nfs/dbraw/zinc/54/55/06/1030545506.db2.gz KXZJKAMZCCXMCA-HDICACEKSA-N 1 3 340.515 3.924 20 0 EHADHO CCc1nc2c(s1)[C@H](N(C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000568051088 1030659504 /nfs/dbraw/zinc/65/95/04/1030659504.db2.gz WRKPRTXPXPAYFC-GOSISDBHSA-N 1 3 341.524 3.861 20 0 EHADHO C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(OCC[NH+](C)C)cc1 ZINC000130244057 1030690866 /nfs/dbraw/zinc/69/08/66/1030690866.db2.gz RVXBSIFQCFAJDL-QRWLVFNGSA-N 1 3 340.467 3.671 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCSc2ccc(OC)cc21 ZINC000650756676 1030776754 /nfs/dbraw/zinc/77/67/54/1030776754.db2.gz HQSSYSIILLXYIB-SFHVURJKSA-N 1 3 328.481 3.741 20 0 EHADHO CC[NH+]1CCC(CCNCc2ccsc2Br)CC1 ZINC000527668630 1031095559 /nfs/dbraw/zinc/09/55/59/1031095559.db2.gz SAAUCESAPXLPMQ-UHFFFAOYSA-N 1 3 331.323 3.722 20 0 EHADHO C[NH+]1CCC(CCNCc2ccc(Br)c(F)c2F)CC1 ZINC000527655201 1031115666 /nfs/dbraw/zinc/11/56/66/1031115666.db2.gz ZUEBTTSCIKVIPK-UHFFFAOYSA-N 1 3 347.247 3.549 20 0 EHADHO CCCCCc1ccc([C@H](CC)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484177432 1031480323 /nfs/dbraw/zinc/48/03/23/1031480323.db2.gz VXENNKVTXHVDPS-FQEVSTJZSA-N 1 3 332.532 3.917 20 0 EHADHO CSc1ccccc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000194895479 1031644421 /nfs/dbraw/zinc/64/44/21/1031644421.db2.gz WMLTUTHJRSWEBG-CVEARBPZSA-N 1 3 334.529 3.560 20 0 EHADHO Cc1cccc2c1[nH+]cc(C)c2N1CCC(C)(N2CCOCC2)CC1 ZINC000528188343 1031867871 /nfs/dbraw/zinc/86/78/71/1031867871.db2.gz ANNNCPVMKFCNMB-UHFFFAOYSA-N 1 3 339.483 3.543 20 0 EHADHO CC(C)(C)CC[C@@H]([NH3+])CNCCCc1nc(-c2ccncc2)cs1 ZINC000904364614 1031998959 /nfs/dbraw/zinc/99/89/59/1031998959.db2.gz NIRVALXQVAEPQL-MRXNPFEDSA-N 1 3 346.544 3.881 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC ZINC000181416920 1032024190 /nfs/dbraw/zinc/02/41/90/1032024190.db2.gz MSDSFSNGUXRXRC-UFYCRDLUSA-N 1 3 346.515 3.504 20 0 EHADHO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000669684344 1033675190 /nfs/dbraw/zinc/67/51/90/1033675190.db2.gz HTBPVTWQKIUWDU-GFOJFJKKSA-N 1 3 330.516 3.690 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639631 1033802757 /nfs/dbraw/zinc/80/27/57/1033802757.db2.gz MMDLQEZMINRLEN-GDBMZVCRSA-N 1 3 326.431 3.759 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2OC(F)F)[C@H](C)C1 ZINC000093639631 1033802771 /nfs/dbraw/zinc/80/27/71/1033802771.db2.gz MMDLQEZMINRLEN-GDBMZVCRSA-N 1 3 326.431 3.759 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000669692020 1033847826 /nfs/dbraw/zinc/84/78/26/1033847826.db2.gz UVWPXKBXMZOMJN-NRFANRHFSA-N 1 3 329.532 3.534 20 0 EHADHO CC(C)(C)OC(=O)CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000612059089 1033972605 /nfs/dbraw/zinc/97/26/05/1033972605.db2.gz KYUREEOGODZRQM-UHFFFAOYSA-N 1 3 338.536 3.696 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)CC2)ccn1 ZINC000658165836 1034029702 /nfs/dbraw/zinc/02/97/02/1034029702.db2.gz MGUVTGQVBKDJIJ-LEWJYISDSA-N 1 3 327.516 3.852 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)o1 ZINC000658166730 1034030288 /nfs/dbraw/zinc/03/02/88/1034030288.db2.gz OHYCLDLUPLJXCB-MRXNPFEDSA-N 1 3 327.472 3.854 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000658168816 1034034602 /nfs/dbraw/zinc/03/46/02/1034034602.db2.gz ZIOCCNSBUGDEHV-HNNXBMFYSA-N 1 3 345.437 3.923 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)n1 ZINC000658168727 1034035564 /nfs/dbraw/zinc/03/55/64/1034035564.db2.gz XYDCDIVFZCTRIO-QGZVFWFLSA-N 1 3 338.499 3.656 20 0 EHADHO COc1ccc(C[C@@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227171 1034086770 /nfs/dbraw/zinc/08/67/70/1034086770.db2.gz SZEOPQCLOUSJOL-SJLPKXTDSA-N 1 3 346.515 3.631 20 0 EHADHO COc1ccc(C[C@@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227171 1034086784 /nfs/dbraw/zinc/08/67/84/1034086784.db2.gz SZEOPQCLOUSJOL-SJLPKXTDSA-N 1 3 346.515 3.631 20 0 EHADHO C[NH+](C)C1CCC(N2CCc3ccc(Br)cc3C2)CC1 ZINC001168324051 1034118195 /nfs/dbraw/zinc/11/81/95/1034118195.db2.gz HPPUTDMEJUEYGK-UHFFFAOYSA-N 1 3 337.305 3.680 20 0 EHADHO Brc1cscc1CNCCCCC[NH+]1CCCC1 ZINC000339500315 1034151583 /nfs/dbraw/zinc/15/15/83/1034151583.db2.gz ZMZWHEINYYESEZ-UHFFFAOYSA-N 1 3 331.323 3.866 20 0 EHADHO CC(C)c1nc(C[NH2+]C[C@H]2CCN2C2CCCC2)c2ccccn21 ZINC000529670029 1034396212 /nfs/dbraw/zinc/39/62/12/1034396212.db2.gz PRSPJQQTVQOEEJ-QGZVFWFLSA-N 1 3 326.488 3.564 20 0 EHADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000450879786 1034907863 /nfs/dbraw/zinc/90/78/63/1034907863.db2.gz OPJDUBVHWWRFFX-HXUWFJFHSA-N 1 3 344.547 3.662 20 0 EHADHO CC[NH+]1CCC(NCc2ccnc3c(Br)cccc23)CC1 ZINC000449064476 1035448244 /nfs/dbraw/zinc/44/82/44/1035448244.db2.gz PZTGGRFWIPSMKH-UHFFFAOYSA-N 1 3 348.288 3.571 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2cc3ccccc3o2)C(C)C)CC1 ZINC000540653956 1035528604 /nfs/dbraw/zinc/52/86/04/1035528604.db2.gz RXEKECWTUVQPJP-NRFANRHFSA-N 1 3 343.515 3.747 20 0 EHADHO C[C@@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687506 1035973927 /nfs/dbraw/zinc/97/39/27/1035973927.db2.gz LCPPXJIEHNKGER-NQIIRXRSSA-N 1 3 348.490 3.983 20 0 EHADHO C[C@@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687506 1035973930 /nfs/dbraw/zinc/97/39/30/1035973930.db2.gz LCPPXJIEHNKGER-NQIIRXRSSA-N 1 3 348.490 3.983 20 0 EHADHO Cc1cc([C@@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)ccc1F ZINC000414191891 1035976262 /nfs/dbraw/zinc/97/62/62/1035976262.db2.gz SCPJCJNDOPTBGW-LAUBAEHRSA-N 1 3 341.474 3.940 20 0 EHADHO Cc1cc([C@@H](NCC[C@@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191891 1035976270 /nfs/dbraw/zinc/97/62/70/1035976270.db2.gz SCPJCJNDOPTBGW-LAUBAEHRSA-N 1 3 341.474 3.940 20 0 EHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccnc(Cl)c1 ZINC000165186360 1036297999 /nfs/dbraw/zinc/29/79/99/1036297999.db2.gz MLNZGLNTKUYQEO-OAHLLOKOSA-N 1 3 347.890 3.916 20 0 EHADHO Fc1cccc(CC2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168388156 1036319381 /nfs/dbraw/zinc/31/93/81/1036319381.db2.gz BZCLDZVLTQEBQJ-UHFFFAOYSA-N 1 3 330.491 3.955 20 0 EHADHO Cc1cc(Br)ccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001140817162 1036372140 /nfs/dbraw/zinc/37/21/40/1036372140.db2.gz NQVAKJDCSLNIBB-UHFFFAOYSA-N 1 3 337.305 3.675 20 0 EHADHO COc1cccc(C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C2CC2)c1 ZINC000541557097 1036448935 /nfs/dbraw/zinc/44/89/35/1036448935.db2.gz HQHPRQBLJQYYQF-UTKZUKDTSA-N 1 3 330.516 3.870 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](O)CCc3ccccc3)CC2)C1 ZINC000542463582 1036476326 /nfs/dbraw/zinc/47/63/26/1036476326.db2.gz CBRUBKWZQNZDKN-QIJUGHKUSA-N 1 3 344.543 3.613 20 0 EHADHO c1ccc(OCC2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168391684 1036489131 /nfs/dbraw/zinc/48/91/31/1036489131.db2.gz MRYRTMCEYMIHES-UHFFFAOYSA-N 1 3 328.500 3.652 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000589647287 1036577330 /nfs/dbraw/zinc/57/73/30/1036577330.db2.gz SIXDZCHICKGHHN-UHFFFAOYSA-N 1 3 337.467 3.788 20 0 EHADHO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000177291232 1036806154 /nfs/dbraw/zinc/80/61/54/1036806154.db2.gz HHHHJZXDHJGHRA-UYAOXDASSA-N 1 3 338.495 3.910 20 0 EHADHO C[NH+]1CCC(NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000177605555 1036890137 /nfs/dbraw/zinc/89/01/37/1036890137.db2.gz SXGGQUAYIBAQAS-UHFFFAOYSA-N 1 3 337.678 3.709 20 0 EHADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1sccc1Br ZINC000227497616 1037348833 /nfs/dbraw/zinc/34/88/33/1037348833.db2.gz MTNKLQKMHNMFHB-LLVKDONJSA-N 1 3 331.323 3.893 20 0 EHADHO CCCCN1CCCC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000462746798 1037360468 /nfs/dbraw/zinc/36/04/68/1037360468.db2.gz VYTZERPHWIVVLY-JOCHJYFZSA-N 1 3 343.559 3.895 20 0 EHADHO COCCN(C)CCOc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000462774278 1037375137 /nfs/dbraw/zinc/37/51/37/1037375137.db2.gz NMGSIHQBFGPMPO-UHFFFAOYSA-N 1 3 348.531 3.702 20 0 EHADHO CCN(Cc1ccc(OC)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143478975 1037379869 /nfs/dbraw/zinc/37/98/69/1037379869.db2.gz NHEDLPAWMTWFQN-UHFFFAOYSA-N 1 3 330.394 3.630 20 0 EHADHO C[C@@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)CN(C)C ZINC000491596017 1037578984 /nfs/dbraw/zinc/57/89/84/1037578984.db2.gz GSEOKDQRBFTKJT-INIZCTEOSA-N 1 3 330.447 3.692 20 0 EHADHO C[C@@H]1C[C@@H](NCCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082404 1037726347 /nfs/dbraw/zinc/72/63/47/1037726347.db2.gz NGTGRRDGJPABBZ-XLIONFOSSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[C@@H](NCCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082404 1037726368 /nfs/dbraw/zinc/72/63/68/1037726368.db2.gz NGTGRRDGJPABBZ-XLIONFOSSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN(c3ccnc4ccccc43)CC2)C[C@H](C)O1 ZINC000540297012 1037775702 /nfs/dbraw/zinc/77/57/02/1037775702.db2.gz ILSZVKJCSBSOGX-CALCHBBNSA-N 1 3 339.483 3.560 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN(c3ccnc4ccccc43)CC2)C[C@H](C)O1 ZINC000540297012 1037775732 /nfs/dbraw/zinc/77/57/32/1037775732.db2.gz ILSZVKJCSBSOGX-CALCHBBNSA-N 1 3 339.483 3.560 20 0 EHADHO CCc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540315043 1037803742 /nfs/dbraw/zinc/80/37/42/1037803742.db2.gz ADCKDTFBPJXDAR-DLBZAZTESA-N 1 3 341.499 3.996 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccc(OC)c(O)c2)CC1)CC1CC1 ZINC000538857489 1038568091 /nfs/dbraw/zinc/56/80/91/1038568091.db2.gz APPDDCZLRIMNCQ-UHFFFAOYSA-N 1 3 346.515 3.735 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccc(OC)c(O)c2)CC1)CC1CC1 ZINC000538857489 1038568104 /nfs/dbraw/zinc/56/81/04/1038568104.db2.gz APPDDCZLRIMNCQ-UHFFFAOYSA-N 1 3 346.515 3.735 20 0 EHADHO Cc1ccc(CC[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000539073022 1038670318 /nfs/dbraw/zinc/67/03/18/1038670318.db2.gz GYGABILPQRUXKN-XUVXKRRUSA-N 1 3 332.532 3.795 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000552253708 1039132516 /nfs/dbraw/zinc/13/25/16/1039132516.db2.gz QMEDCSLBTQELQQ-QRVBRYPASA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000552253708 1039132523 /nfs/dbraw/zinc/13/25/23/1039132523.db2.gz QMEDCSLBTQELQQ-QRVBRYPASA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1OC ZINC000552253708 1039132528 /nfs/dbraw/zinc/13/25/28/1039132528.db2.gz QMEDCSLBTQELQQ-QRVBRYPASA-N 1 3 346.515 3.837 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318056 1039200563 /nfs/dbraw/zinc/20/05/63/1039200563.db2.gz OPGPELZTCGJYNH-CCKFTAQKSA-N 1 3 336.907 3.738 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318056 1039200578 /nfs/dbraw/zinc/20/05/78/1039200578.db2.gz OPGPELZTCGJYNH-CCKFTAQKSA-N 1 3 336.907 3.738 20 0 EHADHO Clc1ccc(CC[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000668513502 1039224248 /nfs/dbraw/zinc/22/42/48/1039224248.db2.gz SHOZUBBSOJJQOM-UHFFFAOYSA-N 1 3 343.902 3.779 20 0 EHADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1OC(F)F ZINC000643535815 1039421972 /nfs/dbraw/zinc/42/19/72/1039421972.db2.gz PFRFTJQIXMTQME-IINYFYTJSA-N 1 3 330.806 3.734 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485703109 1039451624 /nfs/dbraw/zinc/45/16/24/1039451624.db2.gz FJZRBTKXCGBUGH-KBXCAEBGSA-N 1 3 342.886 3.706 20 0 EHADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030750 1040275048 /nfs/dbraw/zinc/27/50/48/1040275048.db2.gz BITAPKYYRNMTMK-WMZOPIPTSA-N 1 3 348.556 3.829 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CC4)[C@H]3C2)cc1 ZINC000512648475 1040388426 /nfs/dbraw/zinc/38/84/26/1040388426.db2.gz NIUFBQVEQHBOCU-FKBYEOEOSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1ccc(C[N@@H+](CCCN2CCN(C(C)C)CC2)C2CC2)cc1C ZINC000500132541 1040574786 /nfs/dbraw/zinc/57/47/86/1040574786.db2.gz MKZONWHFZHEUIB-UHFFFAOYSA-N 1 3 343.559 3.684 20 0 EHADHO Cc1ccc(C[N@H+](CCCN2CCN(C(C)C)CC2)C2CC2)cc1C ZINC000500132541 1040574793 /nfs/dbraw/zinc/57/47/93/1040574793.db2.gz MKZONWHFZHEUIB-UHFFFAOYSA-N 1 3 343.559 3.684 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 ZINC000553964824 1040612543 /nfs/dbraw/zinc/61/25/43/1040612543.db2.gz VOSNAMGEPCKYLN-CEMLEFRQSA-N 1 3 343.559 3.576 20 0 EHADHO CC(C)C[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555615824 1040923677 /nfs/dbraw/zinc/92/36/77/1040923677.db2.gz CXDUPRSUWNKBBV-PZJWPPBQSA-N 1 3 344.543 3.939 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000398147869 1041093049 /nfs/dbraw/zinc/09/30/49/1041093049.db2.gz ONSBHULYXWJWEB-XLIONFOSSA-N 1 3 348.494 3.574 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccccc3Br)C2)CC1 ZINC000555803567 1041170341 /nfs/dbraw/zinc/17/03/41/1041170341.db2.gz ZOEAZEGPVCAXRF-OAHLLOKOSA-N 1 3 337.305 3.613 20 0 EHADHO Cc1ccc(C[NH2+]CC2(N)CCCCCC2)c(-c2ccnn2C)c1 ZINC000571413235 1041291608 /nfs/dbraw/zinc/29/16/08/1041291608.db2.gz QOAZUKPUABQGAJ-UHFFFAOYSA-N 1 3 326.488 3.537 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731683 1041306616 /nfs/dbraw/zinc/30/66/16/1041306616.db2.gz WCBMQXCHEMLMCZ-KKSFZXQISA-N 1 3 336.479 3.718 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731683 1041306627 /nfs/dbraw/zinc/30/66/27/1041306627.db2.gz WCBMQXCHEMLMCZ-KKSFZXQISA-N 1 3 336.479 3.718 20 0 EHADHO C[C@@](CO)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000662840351 1042126252 /nfs/dbraw/zinc/12/62/52/1042126252.db2.gz XYUWPJWTVPHGHL-QFIPXVFZSA-N 1 3 338.495 3.670 20 0 EHADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1F ZINC000661486162 1042143950 /nfs/dbraw/zinc/14/39/50/1042143950.db2.gz TUXJSXBLKRVBQP-FQEVSTJZSA-N 1 3 335.511 3.529 20 0 EHADHO CN(CCCC1CC[NH2+]CC1)Cc1csc(Br)c1 ZINC000050953589 1042538306 /nfs/dbraw/zinc/53/83/06/1042538306.db2.gz RYRBDHQOGJTWAM-UHFFFAOYSA-N 1 3 331.323 3.722 20 0 EHADHO Fc1ccccc1-c1cnc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662294695 1042664231 /nfs/dbraw/zinc/66/42/31/1042664231.db2.gz RZWDJWLQUZFFJF-INIZCTEOSA-N 1 3 343.446 3.692 20 0 EHADHO NC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC2(CCC2)C1 ZINC000662698430 1042835067 /nfs/dbraw/zinc/83/50/67/1042835067.db2.gz MJSTYFDCELKNCI-UHFFFAOYSA-N 1 3 341.499 3.663 20 0 EHADHO Cc1cc(C)c(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000303109939 1042913096 /nfs/dbraw/zinc/91/30/96/1042913096.db2.gz BHNLABREYPPFOA-WOJBJXKFSA-N 1 3 344.543 3.933 20 0 EHADHO C[C@H]1CCc2c(F)cccc2[C@H]1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418630 1043143625 /nfs/dbraw/zinc/14/36/25/1043143625.db2.gz UBQHRFHNRMCADN-YRNRMSPPSA-N 1 3 334.479 3.540 20 0 EHADHO C[C@H]1CCc2c(F)cccc2[C@H]1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418630 1043143632 /nfs/dbraw/zinc/14/36/32/1043143632.db2.gz UBQHRFHNRMCADN-YRNRMSPPSA-N 1 3 334.479 3.540 20 0 EHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418628 1043143718 /nfs/dbraw/zinc/14/37/18/1043143718.db2.gz UBQHRFHNRMCADN-QINHECLXSA-N 1 3 334.479 3.540 20 0 EHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418628 1043143721 /nfs/dbraw/zinc/14/37/21/1043143721.db2.gz UBQHRFHNRMCADN-QINHECLXSA-N 1 3 334.479 3.540 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419326 1043152758 /nfs/dbraw/zinc/15/27/58/1043152758.db2.gz BCWKHILCWCIHAV-CABCVRRESA-N 1 3 344.421 3.857 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419326 1043152765 /nfs/dbraw/zinc/15/27/65/1043152765.db2.gz BCWKHILCWCIHAV-CABCVRRESA-N 1 3 344.421 3.857 20 0 EHADHO CC(C)Oc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432425522 1043175038 /nfs/dbraw/zinc/17/50/38/1043175038.db2.gz NAOMOVPFDYKZCJ-ROUUACIJSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)Oc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432425522 1043175039 /nfs/dbraw/zinc/17/50/39/1043175039.db2.gz NAOMOVPFDYKZCJ-ROUUACIJSA-N 1 3 334.504 3.625 20 0 EHADHO Cc1cc([C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)ccc1F ZINC000432427107 1043182067 /nfs/dbraw/zinc/18/20/67/1043182067.db2.gz XINQTLIAKUDELX-OXQOHEQNSA-N 1 3 334.479 3.676 20 0 EHADHO Cc1cc([C@H](NCCC[N@H+]2CCCO[C@H](C)C2)C2CC2)ccc1F ZINC000432427107 1043182070 /nfs/dbraw/zinc/18/20/70/1043182070.db2.gz XINQTLIAKUDELX-OXQOHEQNSA-N 1 3 334.479 3.676 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN(C/C=C\c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000512176677 1043648043 /nfs/dbraw/zinc/64/80/43/1043648043.db2.gz DJYSTOOWZGRXID-GRFNRIFCSA-N 1 3 346.490 3.660 20 0 EHADHO Cc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000512180702 1043688282 /nfs/dbraw/zinc/68/82/82/1043688282.db2.gz AZGZUWKMJAQETM-HDICACEKSA-N 1 3 330.516 3.625 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000163215671 1043916069 /nfs/dbraw/zinc/91/60/69/1043916069.db2.gz JHWRZJIBPHUNBO-DLBZAZTESA-N 1 3 346.519 3.553 20 0 EHADHO COc1cccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000512250702 1044400607 /nfs/dbraw/zinc/40/06/07/1044400607.db2.gz DRVDJMSVHFTFBK-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO COc1cccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000512250702 1044400611 /nfs/dbraw/zinc/40/06/11/1044400611.db2.gz DRVDJMSVHFTFBK-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000122964050 1044613156 /nfs/dbraw/zinc/61/31/56/1044613156.db2.gz QIEDZPSKHMXBMY-KRWDZBQOSA-N 1 3 326.488 3.787 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCCC2 ZINC000512335091 1044760068 /nfs/dbraw/zinc/76/00/68/1044760068.db2.gz CBCAJALKTSRVPA-KVPLUYHFSA-N 1 3 334.548 3.967 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905099 1044839836 /nfs/dbraw/zinc/83/98/36/1044839836.db2.gz LNHWXKDMRZWBHJ-GVDBMIGSSA-N 1 3 334.504 3.517 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCOCC2)ccc1OC ZINC000183348062 1125536544 /nfs/dbraw/zinc/53/65/44/1125536544.db2.gz NSNGFBVZKHKKBW-QFBILLFUSA-N 1 3 334.504 3.757 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(COC)cc1 ZINC000266166626 1125703136 /nfs/dbraw/zinc/70/31/36/1125703136.db2.gz ASJMSRNUWUWPLC-UHFFFAOYSA-N 1 3 326.484 3.965 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000154331407 1125712353 /nfs/dbraw/zinc/71/23/53/1125712353.db2.gz VOSNAMGEPCKYLN-BAGYTPMASA-N 1 3 343.559 3.576 20 0 EHADHO COCC[NH+]1CCC(N[C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154736538 1125753116 /nfs/dbraw/zinc/75/31/16/1125753116.db2.gz MPMBZROTSSOEHI-KRWDZBQOSA-N 1 3 343.298 3.681 20 0 EHADHO CCc1nc2cc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)ccc2n1C1CC1 ZINC000623515585 1126973362 /nfs/dbraw/zinc/97/33/62/1126973362.db2.gz HKJCKNXQEAKRHP-INIZCTEOSA-N 1 3 340.515 3.896 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000624120813 1127255956 /nfs/dbraw/zinc/25/59/56/1127255956.db2.gz HLNOQDMQTSHRHB-KBPBESRZSA-N 1 3 330.394 3.968 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119887 1127255992 /nfs/dbraw/zinc/25/59/92/1127255992.db2.gz LSVWHKVYSLEZBX-ZWKOTPCHSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119887 1127255994 /nfs/dbraw/zinc/25/59/94/1127255994.db2.gz LSVWHKVYSLEZBX-ZWKOTPCHSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119887 1127255997 /nfs/dbraw/zinc/25/59/97/1127255997.db2.gz LSVWHKVYSLEZBX-ZWKOTPCHSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119886 1127255212 /nfs/dbraw/zinc/25/52/12/1127255212.db2.gz LSVWHKVYSLEZBX-ROUUACIJSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119886 1127255215 /nfs/dbraw/zinc/25/52/15/1127255215.db2.gz LSVWHKVYSLEZBX-ROUUACIJSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119886 1127255218 /nfs/dbraw/zinc/25/52/18/1127255218.db2.gz LSVWHKVYSLEZBX-ROUUACIJSA-N 1 3 345.531 3.849 20 0 EHADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)ccc1OC(F)F ZINC000624119744 1127255680 /nfs/dbraw/zinc/25/56/80/1127255680.db2.gz IOVBDIPWJWVSLM-UONOGXRCSA-N 1 3 342.430 3.679 20 0 EHADHO CN(CCCC(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181933596 1127303599 /nfs/dbraw/zinc/30/35/99/1127303599.db2.gz RWQCVWFYTAGNRR-IBGZPJMESA-N 1 3 346.515 3.562 20 0 EHADHO CN(CCCC(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181933596 1127303602 /nfs/dbraw/zinc/30/36/02/1127303602.db2.gz RWQCVWFYTAGNRR-IBGZPJMESA-N 1 3 346.515 3.562 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322921 1127371975 /nfs/dbraw/zinc/37/19/75/1127371975.db2.gz JVFZSBJMIPDOOB-XNJGSVPQSA-N 1 3 345.314 3.828 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322921 1127371979 /nfs/dbraw/zinc/37/19/79/1127371979.db2.gz JVFZSBJMIPDOOB-XNJGSVPQSA-N 1 3 345.314 3.828 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(CC(C)C)CC2)cc1F ZINC000185271418 1127423499 /nfs/dbraw/zinc/42/34/99/1127423499.db2.gz BWURTHLZZMWVJJ-MRXNPFEDSA-N 1 3 336.495 3.723 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321395 1127537403 /nfs/dbraw/zinc/53/74/03/1127537403.db2.gz BCMWAPAPKVUABM-PKOBYXMFSA-N 1 3 327.447 3.784 20 0 EHADHO CC(C)N1CCC([NH2+]CC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000387328261 1127746855 /nfs/dbraw/zinc/74/68/55/1127746855.db2.gz DAPVXMIJPFXUOY-UHFFFAOYSA-N 1 3 329.532 3.504 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(CO)CCCC2)ccc1OC ZINC000186485085 1128763752 /nfs/dbraw/zinc/76/37/52/1128763752.db2.gz AYAXWGKFWLGCGR-QGZVFWFLSA-N 1 3 348.531 3.740 20 0 EHADHO CCc1oc2ccccc2c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062252986 1128811869 /nfs/dbraw/zinc/81/18/69/1128811869.db2.gz BSWUYEGDOMKJMZ-IRXDYDNUSA-N 1 3 344.499 3.974 20 0 EHADHO CN(C)[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000075674284 1120105888 /nfs/dbraw/zinc/10/58/88/1120105888.db2.gz MZENHSOOOOQWFH-HXUWFJFHSA-N 1 3 343.540 3.605 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886096 1120895030 /nfs/dbraw/zinc/89/50/30/1120895030.db2.gz MCMZAUHZAZITJC-SJLPKXTDSA-N 1 3 333.524 3.670 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886096 1120895032 /nfs/dbraw/zinc/89/50/32/1120895032.db2.gz MCMZAUHZAZITJC-SJLPKXTDSA-N 1 3 333.524 3.670 20 0 EHADHO CN(C)CCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229506314 1120966266 /nfs/dbraw/zinc/96/62/66/1120966266.db2.gz RACSFGZGAHXFMX-UHFFFAOYSA-N 1 3 339.199 3.509 20 0 EHADHO CC(C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000236709844 1121461148 /nfs/dbraw/zinc/46/11/48/1121461148.db2.gz KLTBFIVSLBSCFE-UHFFFAOYSA-N 1 3 343.437 3.606 20 0 EHADHO COc1ccc(C[C@H](C)NCCC[N@H+](C)C2CCCCC2)cc1OC ZINC000237232322 1121477120 /nfs/dbraw/zinc/47/71/20/1121477120.db2.gz DNEOULDYRCXJMK-KRWDZBQOSA-N 1 3 348.531 3.879 20 0 EHADHO COc1ccc(C[C@H](C)NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000237232322 1121477125 /nfs/dbraw/zinc/47/71/25/1121477125.db2.gz DNEOULDYRCXJMK-KRWDZBQOSA-N 1 3 348.531 3.879 20 0 EHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(N2CCOC2=O)c1 ZINC000125916407 1122358950 /nfs/dbraw/zinc/35/89/50/1122358950.db2.gz ZRJAYQIMZCJBPY-CRAIPNDOSA-N 1 3 347.503 3.660 20 0 EHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626796 1122812193 /nfs/dbraw/zinc/81/21/93/1122812193.db2.gz MVJGSWJTSVYYKY-KCXAZCMYSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000129626796 1122812198 /nfs/dbraw/zinc/81/21/98/1122812198.db2.gz MVJGSWJTSVYYKY-KCXAZCMYSA-N 1 3 325.294 3.973 20 0 EHADHO COc1cc(CC[NH2+]C2CCN(C3CCCC3)CC2)ccc1Cl ZINC000556261973 1122903649 /nfs/dbraw/zinc/90/36/49/1122903649.db2.gz YUXQCEOWJYZSNF-UHFFFAOYSA-N 1 3 336.907 3.888 20 0 EHADHO COc1cc(CCNC2CC[NH+](C3CCCC3)CC2)ccc1Cl ZINC000556261973 1122903651 /nfs/dbraw/zinc/90/36/51/1122903651.db2.gz YUXQCEOWJYZSNF-UHFFFAOYSA-N 1 3 336.907 3.888 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000556921977 1123211030 /nfs/dbraw/zinc/21/10/30/1123211030.db2.gz ZSOZIEDFBZPYLR-FFZOFVMBSA-N 1 3 344.499 3.632 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000556921977 1123211034 /nfs/dbraw/zinc/21/10/34/1123211034.db2.gz ZSOZIEDFBZPYLR-FFZOFVMBSA-N 1 3 344.499 3.632 20 0 EHADHO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556924586 1123212423 /nfs/dbraw/zinc/21/24/23/1123212423.db2.gz UHQKXQAMWZCXBD-GDBMZVCRSA-N 1 3 326.406 3.829 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096179 1123775014 /nfs/dbraw/zinc/77/50/14/1123775014.db2.gz ZRZMULRGKZYDFX-IIBYNOLFSA-N 1 3 340.515 3.651 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000081096179 1123775016 /nfs/dbraw/zinc/77/50/16/1123775016.db2.gz ZRZMULRGKZYDFX-IIBYNOLFSA-N 1 3 340.515 3.651 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247033797 1124581099 /nfs/dbraw/zinc/58/10/99/1124581099.db2.gz NSVHTUNOCHZLDK-BZSNNMDCSA-N 1 3 334.504 3.625 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCc3ccc(C)cc32)[C@H](C)C1 ZINC000248185128 1124645569 /nfs/dbraw/zinc/64/55/69/1124645569.db2.gz XDSORJNOPUWRCV-QMMLZNLJSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3ccc(C)cc32)[C@H](C)C1 ZINC000248185128 1124645573 /nfs/dbraw/zinc/64/55/73/1124645573.db2.gz XDSORJNOPUWRCV-QMMLZNLJSA-N 1 3 330.516 3.709 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285064 1124972745 /nfs/dbraw/zinc/97/27/45/1124972745.db2.gz SCEHDRYUGINDNC-NRFANRHFSA-N 1 3 347.522 3.674 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)ccc1OC ZINC000182958630 1125407944 /nfs/dbraw/zinc/40/79/44/1125407944.db2.gz GZTKZIOOKDPBDY-OXQOHEQNSA-N 1 3 336.520 3.595 20 0 EHADHO C[C@H](c1cccc(Br)c1)[N@H+](C)CCCN1CCCC1 ZINC000499914604 1129566810 /nfs/dbraw/zinc/56/68/10/1129566810.db2.gz UWZPHSFHRLJLSI-CQSZACIVSA-N 1 3 325.294 3.928 20 0 EHADHO C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CCCC1 ZINC000499914604 1129566812 /nfs/dbraw/zinc/56/68/12/1129566812.db2.gz UWZPHSFHRLJLSI-CQSZACIVSA-N 1 3 325.294 3.928 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000347880817 1129972234 /nfs/dbraw/zinc/97/22/34/1129972234.db2.gz QXXVLXAXLOLAHG-ZWKOTPCHSA-N 1 3 340.515 3.953 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000347880814 1129972405 /nfs/dbraw/zinc/97/24/05/1129972405.db2.gz QXXVLXAXLOLAHG-MSOLQXFVSA-N 1 3 340.515 3.953 20 0 EHADHO CCCCCCc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000766122731 1130354488 /nfs/dbraw/zinc/35/44/88/1130354488.db2.gz NSATYBQKAMETNE-SFHVURJKSA-N 1 3 332.532 3.917 20 0 EHADHO C[C@H](c1ccc(Br)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246791591 1130413014 /nfs/dbraw/zinc/41/30/14/1130413014.db2.gz HUPQJOHQPJXQHS-KGLIPLIRSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@H](c1ccc(Br)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246791591 1130413017 /nfs/dbraw/zinc/41/30/17/1130413017.db2.gz HUPQJOHQPJXQHS-KGLIPLIRSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675752540 1130465316 /nfs/dbraw/zinc/46/53/16/1130465316.db2.gz YIXNONCEBWVYTI-XOKHGSTOSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752540 1130465322 /nfs/dbraw/zinc/46/53/22/1130465322.db2.gz YIXNONCEBWVYTI-XOKHGSTOSA-N 1 3 326.406 3.853 20 0 EHADHO CCC[NH+]1CCC(N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000675807708 1130482394 /nfs/dbraw/zinc/48/23/94/1130482394.db2.gz BURYCPVOSJBJQQ-NRFANRHFSA-N 1 3 329.532 3.678 20 0 EHADHO CCOCC[C@@H](C)N1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001172424352 1131723724 /nfs/dbraw/zinc/72/37/24/1131723724.db2.gz NTXORPDLVCNZOQ-SEVLPDGMSA-N 1 3 330.516 3.912 20 0 EHADHO CCOCC[C@@H](C)N1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001172424352 1131723730 /nfs/dbraw/zinc/72/37/30/1131723730.db2.gz NTXORPDLVCNZOQ-SEVLPDGMSA-N 1 3 330.516 3.912 20 0 EHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169281732 1132715074 /nfs/dbraw/zinc/71/50/74/1132715074.db2.gz LRXHAPXTXTVPKC-KAXARAQCSA-N 1 3 344.499 3.617 20 0 EHADHO CN1CCC=C(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)C1 ZINC001175582052 1132715653 /nfs/dbraw/zinc/71/56/53/1132715653.db2.gz CRAMOIFKHJHHDO-OAQYLSRUSA-N 1 3 325.500 3.661 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206012471 1132777309 /nfs/dbraw/zinc/77/73/09/1132777309.db2.gz LVLWUSPGZUMDFY-OLZOCXBDSA-N 1 3 343.284 3.703 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2cnc3ccc(Cl)cn23)c1 ZINC001177737835 1133098584 /nfs/dbraw/zinc/09/85/84/1133098584.db2.gz VHKZICVXLMIUDM-UHFFFAOYSA-N 1 3 342.874 3.729 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2cnc3ccc(Cl)cn23)c1 ZINC001177737835 1133098590 /nfs/dbraw/zinc/09/85/90/1133098590.db2.gz VHKZICVXLMIUDM-UHFFFAOYSA-N 1 3 342.874 3.729 20 0 EHADHO CC(C)Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001178169757 1133144195 /nfs/dbraw/zinc/14/41/95/1133144195.db2.gz ARGCWWPJSWLLEP-YADHBBJMSA-N 1 3 344.543 3.743 20 0 EHADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500832 1133146014 /nfs/dbraw/zinc/14/60/14/1133146014.db2.gz GAAVWBPPNQOXTN-RDJZCZTQSA-N 1 3 327.497 3.744 20 0 EHADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500832 1133146018 /nfs/dbraw/zinc/14/60/18/1133146018.db2.gz GAAVWBPPNQOXTN-RDJZCZTQSA-N 1 3 327.497 3.744 20 0 EHADHO COc1cccc2c1CCC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C2 ZINC001178464365 1133171766 /nfs/dbraw/zinc/17/17/66/1133171766.db2.gz XFTABJKEJIXYHW-PKOBYXMFSA-N 1 3 330.516 3.797 20 0 EHADHO CN(C)c1cccc(Cl)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC001179253858 1133240037 /nfs/dbraw/zinc/24/00/37/1133240037.db2.gz SNZQTOMJSYMRRJ-UHFFFAOYSA-N 1 3 335.923 3.618 20 0 EHADHO CC[C@H]([NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)[C@H](C)O ZINC001181754337 1133521876 /nfs/dbraw/zinc/52/18/76/1133521876.db2.gz ZPXPRKYCSOIYRE-HFSMHLIXSA-N 1 3 332.532 3.674 20 0 EHADHO Cc1cc(Br)cc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000774978550 1134174957 /nfs/dbraw/zinc/17/49/57/1134174957.db2.gz WCKVWXFEMZPZTA-UHFFFAOYSA-N 1 3 337.305 3.722 20 0 EHADHO C[C@H](c1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1)C(F)(F)F ZINC001196789425 1135610660 /nfs/dbraw/zinc/61/06/60/1135610660.db2.gz KXSLJEZTDJBHFD-XYPHTWIQSA-N 1 3 326.406 3.736 20 0 EHADHO C[C@H](c1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1)C(F)(F)F ZINC001196789425 1135610665 /nfs/dbraw/zinc/61/06/65/1135610665.db2.gz KXSLJEZTDJBHFD-XYPHTWIQSA-N 1 3 326.406 3.736 20 0 EHADHO CCC(CC)C[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201525855 1136037907 /nfs/dbraw/zinc/03/79/07/1136037907.db2.gz MGWKCXMESBSDFT-VXKWHMMOSA-N 1 3 348.575 3.883 20 0 EHADHO CCC(CC)C[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001201525855 1136037911 /nfs/dbraw/zinc/03/79/11/1136037911.db2.gz MGWKCXMESBSDFT-VXKWHMMOSA-N 1 3 348.575 3.883 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001170678201 1136215465 /nfs/dbraw/zinc/21/54/65/1136215465.db2.gz WSYRHAUYEMAKJN-IAGOWNOFSA-N 1 3 334.454 3.819 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001170678201 1136215468 /nfs/dbraw/zinc/21/54/68/1136215468.db2.gz WSYRHAUYEMAKJN-IAGOWNOFSA-N 1 3 334.454 3.819 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170682670 1136231135 /nfs/dbraw/zinc/23/11/35/1136231135.db2.gz QJKMQZQIOVRIPQ-KXBFYZLASA-N 1 3 332.451 3.984 20 0 EHADHO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)ccc1SC(F)F ZINC000818614716 1136886387 /nfs/dbraw/zinc/88/63/87/1136886387.db2.gz FHODMAGYCGSFNC-CYZMBNFOSA-N 1 3 330.444 3.930 20 0 EHADHO CCCCN1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819043105 1136901461 /nfs/dbraw/zinc/90/14/61/1136901461.db2.gz PJGPPFGTNWPFRL-KRWDZBQOSA-N 1 3 344.421 3.593 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](OC)C2)cc1CN1CCCCC1 ZINC000858583915 1136980504 /nfs/dbraw/zinc/98/05/04/1136980504.db2.gz JBHXFEQPBIJUAU-SNRMKQJTSA-N 1 3 332.488 3.509 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)ccc1OC ZINC000858592630 1136981134 /nfs/dbraw/zinc/98/11/34/1136981134.db2.gz HHLXUUZRBAYHNB-MDZRGWNJSA-N 1 3 334.504 3.613 20 0 EHADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000173427518 1137106485 /nfs/dbraw/zinc/10/64/85/1137106485.db2.gz FAHYMYUTKDDURN-HZPDHXFCSA-N 1 3 334.529 3.560 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772904824 1137230945 /nfs/dbraw/zinc/23/09/45/1137230945.db2.gz RHCCUYMPHUQRSH-MGPUTAFESA-N 1 3 337.467 3.697 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772904824 1137230946 /nfs/dbraw/zinc/23/09/46/1137230946.db2.gz RHCCUYMPHUQRSH-MGPUTAFESA-N 1 3 337.467 3.697 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000794828468 1137267792 /nfs/dbraw/zinc/26/77/92/1137267792.db2.gz PLUDAWXXUBVTMB-NVXWUHKLSA-N 1 3 329.875 3.908 20 0 EHADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171162303 1137274350 /nfs/dbraw/zinc/27/43/50/1137274350.db2.gz PFYZAVPWIDPVGS-VNQPRFMTSA-N 1 3 339.310 3.734 20 0 EHADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C[C@@H]2C1 ZINC001171162303 1137274352 /nfs/dbraw/zinc/27/43/52/1137274352.db2.gz PFYZAVPWIDPVGS-VNQPRFMTSA-N 1 3 339.310 3.734 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccn1 ZINC000866257053 1137340156 /nfs/dbraw/zinc/34/01/56/1137340156.db2.gz FBOODCIYLCSUMZ-IRLDBZIGSA-N 1 3 337.511 3.933 20 0 EHADHO C[NH+](C)CC[C@H](N[C@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171393056 1137469256 /nfs/dbraw/zinc/46/92/56/1137469256.db2.gz BJCBUEABQJEYST-RXVVDRJESA-N 1 3 326.459 3.966 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)nc1 ZINC000716709225 1137488750 /nfs/dbraw/zinc/48/87/50/1137488750.db2.gz RRSCHRCGKOIWHZ-NNWRFLSQSA-N 1 3 335.495 3.575 20 0 EHADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171624290 1137501495 /nfs/dbraw/zinc/50/14/95/1137501495.db2.gz OBVRKIGLUPCLRX-QGZVFWFLSA-N 1 3 330.516 3.794 20 0 EHADHO CCCCCCN1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171764764 1137509155 /nfs/dbraw/zinc/50/91/55/1137509155.db2.gz UVMSUYYNCPQDJA-IFMALSPDSA-N 1 3 343.559 3.847 20 0 EHADHO CCCCCCN1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764764 1137509157 /nfs/dbraw/zinc/50/91/57/1137509157.db2.gz UVMSUYYNCPQDJA-IFMALSPDSA-N 1 3 343.559 3.847 20 0 EHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807991 1137513745 /nfs/dbraw/zinc/51/37/45/1137513745.db2.gz WWGAKUYACKNBPZ-QUCCMNQESA-N 1 3 338.470 3.747 20 0 EHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807991 1137513747 /nfs/dbraw/zinc/51/37/47/1137513747.db2.gz WWGAKUYACKNBPZ-QUCCMNQESA-N 1 3 338.470 3.747 20 0 EHADHO Fc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172066699 1137533663 /nfs/dbraw/zinc/53/36/63/1137533663.db2.gz MSSKOLDVVIQHDQ-ACDBMABISA-N 1 3 339.458 3.896 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112967 1137537460 /nfs/dbraw/zinc/53/74/60/1137537460.db2.gz HEHLHXKRDUXSJP-IIZPIQPGSA-N 1 3 335.495 3.908 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001172112967 1137537462 /nfs/dbraw/zinc/53/74/62/1137537462.db2.gz HEHLHXKRDUXSJP-IIZPIQPGSA-N 1 3 335.495 3.908 20 0 EHADHO CN(Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120320 1137538560 /nfs/dbraw/zinc/53/85/60/1137538560.db2.gz JQHZKJJSCMXDMS-FVQHAEBGSA-N 1 3 337.305 3.896 20 0 EHADHO CN(Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120320 1137538562 /nfs/dbraw/zinc/53/85/62/1137538562.db2.gz JQHZKJJSCMXDMS-FVQHAEBGSA-N 1 3 337.305 3.896 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001172248682 1137544756 /nfs/dbraw/zinc/54/47/56/1137544756.db2.gz MGUXSUNLZJGHEB-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001172332523 1137551320 /nfs/dbraw/zinc/55/13/20/1137551320.db2.gz IJRNHKXBITUCKS-QZTJIDSGSA-N 1 3 348.531 3.625 20 0 EHADHO COc1cccc(CC2(N)CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)c1 ZINC001172368498 1137554993 /nfs/dbraw/zinc/55/49/93/1137554993.db2.gz ISTWOMIPBAHNHV-ZIFCJYIRSA-N 1 3 330.516 3.856 20 0 EHADHO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCCCCC[NH3+] ZINC000872155406 1137574113 /nfs/dbraw/zinc/57/41/13/1137574113.db2.gz RCTLBSMMSREMKG-INIZCTEOSA-N 1 3 327.472 3.618 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000873224269 1137594373 /nfs/dbraw/zinc/59/43/73/1137594373.db2.gz ZBQVVKVZBHSARM-OAQYLSRUSA-N 1 3 340.515 3.592 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000873224269 1137594374 /nfs/dbraw/zinc/59/43/74/1137594374.db2.gz ZBQVVKVZBHSARM-OAQYLSRUSA-N 1 3 340.515 3.592 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000877115305 1137670371 /nfs/dbraw/zinc/67/03/71/1137670371.db2.gz LZPYSAHUPLWKAA-HOIFWPIMSA-N 1 3 332.469 3.667 20 0 EHADHO c1ccc([C@H]2C[C@H](NCC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638434 1137683889 /nfs/dbraw/zinc/68/38/89/1137683889.db2.gz GSNKLXMFQILSOL-NVXWUHKLSA-N 1 3 334.554 3.750 20 0 EHADHO c1ccc([C@H]2C[C@H](NCC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638434 1137683890 /nfs/dbraw/zinc/68/38/90/1137683890.db2.gz GSNKLXMFQILSOL-NVXWUHKLSA-N 1 3 334.554 3.750 20 0 EHADHO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)ccc1SC ZINC000877683922 1137685701 /nfs/dbraw/zinc/68/57/01/1137685701.db2.gz BILKUPPYHDPQNG-UHFFFAOYSA-N 1 3 334.529 3.725 20 0 EHADHO Cc1ccc2c(CN(C)CCCC[NH+]3CCCCC3)cc(=O)oc2c1 ZINC000880517792 1137780409 /nfs/dbraw/zinc/78/04/09/1137780409.db2.gz XCNGHYUWEADZCC-UHFFFAOYSA-N 1 3 342.483 3.799 20 0 EHADHO Cc1n[nH]c(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1C ZINC000885973163 1138029650 /nfs/dbraw/zinc/02/96/50/1138029650.db2.gz PQCCYELXXQHXDF-UHFFFAOYSA-N 1 3 346.906 3.682 20 0 EHADHO Cc1ccc2[nH]c(CNC3CCC(C)([NH+]4CCCC4)CC3)nc2c1 ZINC000886535083 1138092202 /nfs/dbraw/zinc/09/22/02/1138092202.db2.gz UOYVFXSZKHUNNR-UHFFFAOYSA-N 1 3 326.488 3.758 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388341 1139088219 /nfs/dbraw/zinc/08/82/19/1139088219.db2.gz DUDLHODVNHBMSK-STQMWFEESA-N 1 3 328.378 3.720 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCSc3ccccc32)C[C@@H](C)O1 ZINC000178035373 1139664526 /nfs/dbraw/zinc/66/45/26/1139664526.db2.gz QHKGBUOXGVGJPR-JFIYKMOQSA-N 1 3 334.529 3.703 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000182049605 1139947428 /nfs/dbraw/zinc/94/74/28/1139947428.db2.gz MRPRSTJNDISMAD-LJQANCHMSA-N 1 3 340.458 3.752 20 0 EHADHO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(CN(C)C)c1 ZINC000267196749 1140766750 /nfs/dbraw/zinc/76/67/50/1140766750.db2.gz DIYLVDOHYPRRTK-QGZVFWFLSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(CN(C)C)c1 ZINC000267196749 1140766755 /nfs/dbraw/zinc/76/67/55/1140766755.db2.gz DIYLVDOHYPRRTK-QGZVFWFLSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771971 1140987923 /nfs/dbraw/zinc/98/79/23/1140987923.db2.gz FIHLTWSQMQWHSJ-VLCRHTCISA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771971 1140987930 /nfs/dbraw/zinc/98/79/30/1140987930.db2.gz FIHLTWSQMQWHSJ-VLCRHTCISA-N 1 3 338.495 3.671 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)COC2 ZINC000268799978 1140995147 /nfs/dbraw/zinc/99/51/47/1140995147.db2.gz XYNBWKKKVYNINJ-INIZCTEOSA-N 1 3 340.467 3.508 20 0 EHADHO COc1cc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1SC ZINC000268863487 1141011398 /nfs/dbraw/zinc/01/13/98/1141011398.db2.gz NDEYGLBMKVQEEQ-CQSZACIVSA-N 1 3 334.529 3.942 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268933814 1141030325 /nfs/dbraw/zinc/03/03/25/1141030325.db2.gz RJTSPMWJJPGWNW-CZTZKLFOSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268933814 1141030333 /nfs/dbraw/zinc/03/03/33/1141030333.db2.gz RJTSPMWJJPGWNW-CZTZKLFOSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269128568 1141069185 /nfs/dbraw/zinc/06/91/85/1141069185.db2.gz ZCXDURWKCQUPFA-INIZCTEOSA-N 1 3 344.524 3.864 20 0 EHADHO Cc1ccsc1[C@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269128568 1141069194 /nfs/dbraw/zinc/06/91/94/1141069194.db2.gz ZCXDURWKCQUPFA-INIZCTEOSA-N 1 3 344.524 3.864 20 0 EHADHO Cc1cc(C)c(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c(C)c1 ZINC000270919934 1141282986 /nfs/dbraw/zinc/28/29/86/1141282986.db2.gz OYSTYNXPTGPYAP-UHFFFAOYSA-N 1 3 343.559 3.602 20 0 EHADHO CC[C@@H](c1ccccc1)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270936018 1141285345 /nfs/dbraw/zinc/28/53/45/1141285345.db2.gz QSWHPYPPMAQHES-NRFANRHFSA-N 1 3 329.532 3.628 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000271394641 1141356832 /nfs/dbraw/zinc/35/68/32/1141356832.db2.gz KLCATMXENHXAIN-SFHVURJKSA-N 1 3 341.499 3.961 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1C(F)(F)F ZINC001168358283 1032058407 /nfs/dbraw/zinc/05/84/07/1032058407.db2.gz PLSDTQGAUSKSFS-UHFFFAOYSA-N 1 3 326.406 3.978 20 0 EHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000904459798 1032063049 /nfs/dbraw/zinc/06/30/49/1032063049.db2.gz XEKREILLFCJWHS-UHFFFAOYSA-N 1 3 346.478 3.569 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2c1CCC2 ZINC000904472596 1032070081 /nfs/dbraw/zinc/07/00/81/1032070081.db2.gz MWWMOBUJOWZEKG-IFMALSPDSA-N 1 3 334.463 3.521 20 0 EHADHO c1ccc2c(c1)cncc2CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473516 1032070258 /nfs/dbraw/zinc/07/02/58/1032070258.db2.gz JCMCPZNHDUYFGV-RBBKRZOGSA-N 1 3 345.446 3.580 20 0 EHADHO c1ccc2c(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccnc2c1 ZINC000904475690 1032070315 /nfs/dbraw/zinc/07/03/15/1032070315.db2.gz POZMSUFDGSMAOI-IRLDBZIGSA-N 1 3 345.446 3.580 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153415702 1125484400 /nfs/dbraw/zinc/48/44/00/1125484400.db2.gz BPSLQXDMJCCRSN-INDMIFKZSA-N 1 3 349.588 3.839 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153415702 1125484401 /nfs/dbraw/zinc/48/44/01/1125484401.db2.gz BPSLQXDMJCCRSN-INDMIFKZSA-N 1 3 349.588 3.839 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc(C)c1F ZINC000537971899 1032072465 /nfs/dbraw/zinc/07/24/65/1032072465.db2.gz LPBHCTZXZHICDK-KURKYZTESA-N 1 3 336.495 3.983 20 0 EHADHO C[NH+](C)CCOc1cc(CN[C@@H](CC2CC2)c2ccccc2)ccn1 ZINC000537944912 1014777892 /nfs/dbraw/zinc/77/78/92/1014777892.db2.gz SJTCFSQNSCCKCE-FQEVSTJZSA-N 1 3 339.483 3.653 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000154323579 1015369718 /nfs/dbraw/zinc/36/97/18/1015369718.db2.gz GTZSBCAABYMEIT-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238104 1016756664 /nfs/dbraw/zinc/75/66/64/1016756664.db2.gz YAANYPHIUDCBJB-QFBILLFUSA-N 1 3 332.488 3.634 20 0 EHADHO C/C(Cl)=C/CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000528371394 1032206758 /nfs/dbraw/zinc/20/67/58/1032206758.db2.gz DDUROYNIIJONIS-ZMHGOHSBSA-N 1 3 336.907 3.506 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCSCC(F)(F)F)CC2)C1 ZINC000536833926 1032327805 /nfs/dbraw/zinc/32/78/05/1032327805.db2.gz QNNQOIWQPQFSRS-HIFRSBDPSA-N 1 3 338.483 3.915 20 0 EHADHO CCCN1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449224030 1032342908 /nfs/dbraw/zinc/34/29/08/1032342908.db2.gz ZHQQGKBJVNQJKU-UHFFFAOYSA-N 1 3 333.476 3.913 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](C)c2nccs2)CC1 ZINC000449234520 1032352133 /nfs/dbraw/zinc/35/21/33/1032352133.db2.gz CHWJCDMIVLZLFW-DLBZAZTESA-N 1 3 343.540 3.932 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCSCC(F)(F)F)CC1 ZINC000536854899 1032353064 /nfs/dbraw/zinc/35/30/64/1032353064.db2.gz XCWSPTYXLPHORK-ZFWWWQNUSA-N 1 3 338.483 3.915 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@H]3CCCC[C@H]3C)CC1)C2 ZINC000459715298 1032443862 /nfs/dbraw/zinc/44/38/62/1032443862.db2.gz YQUZANFOOJDROI-BSIFCXSSSA-N 1 3 342.527 3.795 20 0 EHADHO COCCSc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000537105174 1032523956 /nfs/dbraw/zinc/52/39/56/1032523956.db2.gz SBTJUTBDNBLXOY-SJLPKXTDSA-N 1 3 336.545 3.950 20 0 EHADHO CCCN1CCC([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)CC1 ZINC000537109701 1032524616 /nfs/dbraw/zinc/52/46/16/1032524616.db2.gz WYZPSNORSPZTEM-JOCHJYFZSA-N 1 3 343.559 3.533 20 0 EHADHO COC[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000449473417 1032594545 /nfs/dbraw/zinc/59/45/45/1032594545.db2.gz BUZZYMVCSYAEIY-MRXNPFEDSA-N 1 3 338.923 3.923 20 0 EHADHO C[C@H]1CN(Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@H](C)O1 ZINC000340406062 1017415353 /nfs/dbraw/zinc/41/53/53/1017415353.db2.gz PTHZVVNQXIPTCE-GJZGRUSLSA-N 1 3 348.874 3.832 20 0 EHADHO C[C@H]1C[NH+](Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@H](C)O1 ZINC000340406062 1017415358 /nfs/dbraw/zinc/41/53/58/1017415358.db2.gz PTHZVVNQXIPTCE-GJZGRUSLSA-N 1 3 348.874 3.832 20 0 EHADHO CCc1c2ccccc2oc1[C@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655705222 1017421863 /nfs/dbraw/zinc/42/18/63/1017421863.db2.gz ZZMBUVPDVCTPQX-RDJZCZTQSA-N 1 3 342.483 3.899 20 0 EHADHO c1cncc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449540088 1032762334 /nfs/dbraw/zinc/76/23/34/1032762334.db2.gz XLEVCTAGAPFONS-CTNGQTDRSA-N 1 3 343.515 3.688 20 0 EHADHO c1cncc([C@@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449540088 1032762347 /nfs/dbraw/zinc/76/23/47/1032762347.db2.gz XLEVCTAGAPFONS-CTNGQTDRSA-N 1 3 343.515 3.688 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)co2)cc1 ZINC000580182097 1018749648 /nfs/dbraw/zinc/74/96/48/1018749648.db2.gz CKYNYILJOCAQOQ-ZCNNSNEGSA-N 1 3 339.483 3.703 20 0 EHADHO COC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000580361680 1019188864 /nfs/dbraw/zinc/18/88/64/1019188864.db2.gz GKIDYCLKZCVJQK-RGCMJDONSA-N 1 3 342.527 3.834 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479150 1021469181 /nfs/dbraw/zinc/46/91/81/1021469181.db2.gz GDYPDQSZPOQCCX-ROUUACIJSA-N 1 3 345.531 3.991 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000516479150 1021469191 /nfs/dbraw/zinc/46/91/91/1021469191.db2.gz GDYPDQSZPOQCCX-ROUUACIJSA-N 1 3 345.531 3.991 20 0 EHADHO C[N@H+]1C[C@H]2CN(CC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2C1 ZINC000559072612 1021720284 /nfs/dbraw/zinc/72/02/84/1021720284.db2.gz HVKNXKNKFSGHAY-HDICACEKSA-N 1 3 342.433 3.590 20 0 EHADHO C[N@@H+]1C[C@H]2CN(CC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]2C1 ZINC000559072612 1021720300 /nfs/dbraw/zinc/72/03/00/1021720300.db2.gz HVKNXKNKFSGHAY-HDICACEKSA-N 1 3 342.433 3.590 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000441012969 1021928252 /nfs/dbraw/zinc/92/82/52/1021928252.db2.gz GQKRYNSZUULTQN-JOCHJYFZSA-N 1 3 341.543 3.554 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437583303 1021975363 /nfs/dbraw/zinc/97/53/63/1021975363.db2.gz OYFQBWAYIYPBOL-UHFFFAOYSA-N 1 3 332.517 3.692 20 0 EHADHO C[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437699262 1022069054 /nfs/dbraw/zinc/06/90/54/1022069054.db2.gz IAQOSVWFLUFDRD-KURKYZTESA-N 1 3 348.506 3.750 20 0 EHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)s2)CC1(C)C ZINC000441339153 1022160151 /nfs/dbraw/zinc/16/01/51/1022160151.db2.gz VGKFSLORUKYSMA-UHFFFAOYSA-N 1 3 343.540 3.531 20 0 EHADHO c1ccc(OCCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119181 1022384936 /nfs/dbraw/zinc/38/49/36/1022384936.db2.gz JKNPOXOYGFOOOW-GHTZIAJQSA-N 1 3 328.500 3.794 20 0 EHADHO c1ccc(OCCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119181 1022384952 /nfs/dbraw/zinc/38/49/52/1022384952.db2.gz JKNPOXOYGFOOOW-GHTZIAJQSA-N 1 3 328.500 3.794 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000517766741 1022647067 /nfs/dbraw/zinc/64/70/67/1022647067.db2.gz YOKPKXPFQFPFQY-QEJZJMRPSA-N 1 3 343.298 3.835 20 0 EHADHO CCCCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC ZINC000506910847 1023013792 /nfs/dbraw/zinc/01/37/92/1023013792.db2.gz VFULUFKEKRUQRM-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CC1(C)Cc2cccc(CN3CCC(C[NH+]4CCCC4)CC3)c2O1 ZINC000506947913 1023043948 /nfs/dbraw/zinc/04/39/48/1023043948.db2.gz VKTLFTBIVPLGSL-UHFFFAOYSA-N 1 3 328.500 3.708 20 0 EHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431023828 1023138068 /nfs/dbraw/zinc/13/80/68/1023138068.db2.gz SPUJJFXTJLPWAZ-INIZCTEOSA-N 1 3 337.305 3.976 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000426972272 1023142610 /nfs/dbraw/zinc/14/26/10/1023142610.db2.gz NQVGZMKCXAIPGK-UHFFFAOYSA-N 1 3 331.504 3.507 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000518267647 1023177032 /nfs/dbraw/zinc/17/70/32/1023177032.db2.gz PVWVZKPWCUUIQY-RMKNXTFCSA-N 1 3 349.522 3.627 20 0 EHADHO CCn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)n1 ZINC000891913703 1023387331 /nfs/dbraw/zinc/38/73/31/1023387331.db2.gz LENHDDFGMQLTJE-UHFFFAOYSA-N 1 3 340.515 3.555 20 0 EHADHO CCn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)n1 ZINC000891913703 1023387338 /nfs/dbraw/zinc/38/73/38/1023387338.db2.gz LENHDDFGMQLTJE-UHFFFAOYSA-N 1 3 340.515 3.555 20 0 EHADHO COc1ccccc1C[C@@H](C)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003509 1024117717 /nfs/dbraw/zinc/11/77/17/1024117717.db2.gz ODDULKZJPSDTTG-ZEDDUWKQSA-N 1 3 342.527 3.963 20 0 EHADHO COc1ccccc1C[C@@H](C)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003509 1024117724 /nfs/dbraw/zinc/11/77/24/1024117724.db2.gz ODDULKZJPSDTTG-ZEDDUWKQSA-N 1 3 342.527 3.963 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)c(Cl)c1 ZINC000414848019 1024184398 /nfs/dbraw/zinc/18/43/98/1024184398.db2.gz VOXRCRNVVQFCAB-CQSZACIVSA-N 1 3 337.895 3.617 20 0 EHADHO CC(C)CSCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000443619117 1024250572 /nfs/dbraw/zinc/25/05/72/1024250572.db2.gz BFJIWMMIZMGYKE-ROUUACIJSA-N 1 3 342.593 3.587 20 0 EHADHO CCn1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000892007405 1024327167 /nfs/dbraw/zinc/32/71/67/1024327167.db2.gz IFAZWUJGSGWYQL-LAUBAEHRSA-N 1 3 340.515 3.696 20 0 EHADHO CCn1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000892007405 1024327185 /nfs/dbraw/zinc/32/71/85/1024327185.db2.gz IFAZWUJGSGWYQL-LAUBAEHRSA-N 1 3 340.515 3.696 20 0 EHADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166380 1024480843 /nfs/dbraw/zinc/48/08/43/1024480843.db2.gz IWHPILVLDHAONU-PZJWPPBQSA-N 1 3 335.495 3.992 20 0 EHADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166380 1024480852 /nfs/dbraw/zinc/48/08/52/1024480852.db2.gz IWHPILVLDHAONU-PZJWPPBQSA-N 1 3 335.495 3.992 20 0 EHADHO CCn1nc(CNCC2CC[NH+](CCC(C)C)CC2)c2ccccc21 ZINC000472053759 1024517950 /nfs/dbraw/zinc/51/79/50/1024517950.db2.gz OIOLQTBGZCRRQD-UHFFFAOYSA-N 1 3 342.531 3.904 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000665232746 1024690279 /nfs/dbraw/zinc/69/02/79/1024690279.db2.gz SQYSQYLYOICZGB-CEMLEFRQSA-N 1 3 335.495 3.659 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000665232746 1024690285 /nfs/dbraw/zinc/69/02/85/1024690285.db2.gz SQYSQYLYOICZGB-CEMLEFRQSA-N 1 3 335.495 3.659 20 0 EHADHO CCN1CC[C@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474493260 1025053271 /nfs/dbraw/zinc/05/32/71/1025053271.db2.gz SIOHTVVKTAFYIY-MRXNPFEDSA-N 1 3 328.422 3.960 20 0 EHADHO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000582053900 1025115277 /nfs/dbraw/zinc/11/52/77/1025115277.db2.gz UEGMAOGJWHQVIR-VXSCBNMQSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@@H]1CC(NCCOC(F)(F)F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012547 1025122432 /nfs/dbraw/zinc/12/24/32/1025122432.db2.gz BWVIFFPMGKAPON-ZIAGYGMSSA-N 1 3 330.394 3.554 20 0 EHADHO CC(C)n1ccnc1CNCC1CC[NH+](Cc2cccs2)CC1 ZINC000657338266 1025279007 /nfs/dbraw/zinc/27/90/07/1025279007.db2.gz LQONSTUMAHGVQU-UHFFFAOYSA-N 1 3 332.517 3.527 20 0 EHADHO CC(C)[C@H]([NH3+])CCN[C@H](c1ccc(Br)s1)C1CC1 ZINC000665281726 1025284307 /nfs/dbraw/zinc/28/43/07/1025284307.db2.gz JWQLUSKLTHOFPI-RISCZKNCSA-N 1 3 331.323 3.925 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2)o1 ZINC000442861052 1025532256 /nfs/dbraw/zinc/53/22/56/1025532256.db2.gz CXCDEJQYUYKOEY-QGZVFWFLSA-N 1 3 341.499 3.623 20 0 EHADHO CN1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1(C)C ZINC000442861552 1025534150 /nfs/dbraw/zinc/53/41/50/1025534150.db2.gz DKWUKBINSARAAQ-FQEVSTJZSA-N 1 3 347.522 3.673 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+][C@H]1CCNC1 ZINC000414890340 1026102203 /nfs/dbraw/zinc/10/22/03/1026102203.db2.gz UXXUNENEXFNUEL-PICPTWRBSA-N 1 3 340.511 3.568 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000609806627 1026566020 /nfs/dbraw/zinc/56/60/20/1026566020.db2.gz QVUFRPPMYPEIDU-IBGZPJMESA-N 1 3 338.536 3.554 20 0 EHADHO C[C@@H]1CC([NH+]2CC3(C2)C[C@H](F)CS3)C[C@@H](C)N1Cc1ccccc1 ZINC001168065149 1026628027 /nfs/dbraw/zinc/62/80/27/1026628027.db2.gz UDHGRSLLIRLVFV-NUJGCVRESA-N 1 3 348.531 3.957 20 0 EHADHO C[C@@H]1CC([NH+]2CC3(C2)C[C@@H](F)CS3)C[C@@H](C)N1Cc1ccccc1 ZINC001168065143 1026628443 /nfs/dbraw/zinc/62/84/43/1026628443.db2.gz UDHGRSLLIRLVFV-JFIYKMOQSA-N 1 3 348.531 3.957 20 0 EHADHO C[C@H](c1cccnc1)N1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301257304 1026741893 /nfs/dbraw/zinc/74/18/93/1026741893.db2.gz DPEKQJVNRRNFAX-OAHLLOKOSA-N 1 3 336.414 3.652 20 0 EHADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000501149385 1027100438 /nfs/dbraw/zinc/10/04/38/1027100438.db2.gz DQWNHFYJTRBLBX-UHFFFAOYSA-N 1 3 345.575 3.603 20 0 EHADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000501149385 1027100449 /nfs/dbraw/zinc/10/04/49/1027100449.db2.gz DQWNHFYJTRBLBX-UHFFFAOYSA-N 1 3 345.575 3.603 20 0 EHADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000531700559 1027222011 /nfs/dbraw/zinc/22/20/11/1027222011.db2.gz NLWQQJOLAHPCNJ-HKUYNNGSSA-N 1 3 340.467 3.586 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccncn1 ZINC000453127629 1027427436 /nfs/dbraw/zinc/42/74/36/1027427436.db2.gz PUQZGWZMKJBKSV-INIZCTEOSA-N 1 3 336.439 3.552 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncn1 ZINC000453127629 1027427447 /nfs/dbraw/zinc/42/74/47/1027427447.db2.gz PUQZGWZMKJBKSV-INIZCTEOSA-N 1 3 336.439 3.552 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccc(C)s2)cc1 ZINC000420300801 1027449834 /nfs/dbraw/zinc/44/98/34/1027449834.db2.gz KQEFGTRAZNDJKE-AEFFLSMTSA-N 1 3 330.497 3.945 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccc(C)s2)cc1 ZINC000420300801 1027449841 /nfs/dbraw/zinc/44/98/41/1027449841.db2.gz KQEFGTRAZNDJKE-AEFFLSMTSA-N 1 3 330.497 3.945 20 0 EHADHO FC1(F)CCC[C@@H](CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)C1 ZINC000420309022 1027457641 /nfs/dbraw/zinc/45/76/41/1027457641.db2.gz LCNBIOYJVQEPKL-AEFFLSMTSA-N 1 3 337.458 3.851 20 0 EHADHO CCC1(CN[C@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000453170556 1027486865 /nfs/dbraw/zinc/48/68/65/1027486865.db2.gz GTJQHPIFGKTRLU-IBGZPJMESA-N 1 3 338.499 3.610 20 0 EHADHO CC(C)(C)[C@H](C[NH3+])NCCOC(c1ccccc1)c1ccccc1 ZINC000420372553 1027498208 /nfs/dbraw/zinc/49/82/08/1027498208.db2.gz YFNFJSGZWFBTDX-IBGZPJMESA-N 1 3 326.484 3.756 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414667341 1027777955 /nfs/dbraw/zinc/77/79/55/1027777955.db2.gz YIXYMMIEZTYJDX-CDKMSYNUSA-N 1 3 336.479 3.948 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)c1ccccc1 ZINC000422731337 1027879194 /nfs/dbraw/zinc/87/91/94/1027879194.db2.gz LIBCGQPJHSWPCM-VLCRHTCISA-N 1 3 339.527 3.618 20 0 EHADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000422750760 1027917779 /nfs/dbraw/zinc/91/77/79/1027917779.db2.gz BLDDGMYXLSHIDC-XPKDYRNWSA-N 1 3 325.294 3.878 20 0 EHADHO CC[C@H](c1ccc(F)cc1)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420984121 1027944134 /nfs/dbraw/zinc/94/41/34/1027944134.db2.gz SKTGJYAKZXUKJF-OAQYLSRUSA-N 1 3 347.522 3.769 20 0 EHADHO CC[C@H](c1ccc(F)cc1)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420984121 1027944143 /nfs/dbraw/zinc/94/41/43/1027944143.db2.gz SKTGJYAKZXUKJF-OAQYLSRUSA-N 1 3 347.522 3.769 20 0 EHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422835376 1027977007 /nfs/dbraw/zinc/97/70/07/1027977007.db2.gz IQAUTFPCNGZJFP-IYWMVGAKSA-N 1 3 330.541 3.917 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000422843135 1028004189 /nfs/dbraw/zinc/00/41/89/1028004189.db2.gz HCZFWHLXBRNLOK-YJBOKZPZSA-N 1 3 329.419 3.620 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000422878385 1028010303 /nfs/dbraw/zinc/01/03/03/1028010303.db2.gz JAYZMFYTCGPYDD-VXGBXAGGSA-N 1 3 335.398 3.862 20 0 EHADHO CC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1ccccc1C ZINC000422920418 1028074974 /nfs/dbraw/zinc/07/49/74/1028074974.db2.gz MTEIWTJLJUUPAL-QAPCUYQASA-N 1 3 327.472 3.665 20 0 EHADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422947474 1028084963 /nfs/dbraw/zinc/08/49/63/1028084963.db2.gz QFDZBVMTQWOAIA-BRWVUGGUSA-N 1 3 342.405 3.595 20 0 EHADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004397 1028119223 /nfs/dbraw/zinc/11/92/23/1028119223.db2.gz OWLOFJUNKRSGSL-JKSUJKDBSA-N 1 3 330.394 3.515 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423047340 1028132956 /nfs/dbraw/zinc/13/29/56/1028132956.db2.gz GEOOIRWOLXDLSV-FEUHOPSXSA-N 1 3 329.257 3.755 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423047497 1028133772 /nfs/dbraw/zinc/13/37/72/1028133772.db2.gz GEOOIRWOLXDLSV-YHAQOWFVSA-N 1 3 329.257 3.755 20 0 EHADHO CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423026555 1028136336 /nfs/dbraw/zinc/13/63/36/1028136336.db2.gz QGJQUIPIKDQVEL-GXRSIYKFSA-N 1 3 342.527 3.934 20 0 EHADHO C[C@H](NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1C[NH2+]C1 ZINC000423072642 1028161630 /nfs/dbraw/zinc/16/16/30/1028161630.db2.gz PZUQAIFYVYSASP-JTQLQIEISA-N 1 3 332.797 3.588 20 0 EHADHO c1cc2c(s1)CCC[C@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423051409 1028162824 /nfs/dbraw/zinc/16/28/24/1028162824.db2.gz ODCVBDJPBDJOCN-MBOZVWFJSA-N 1 3 340.492 3.971 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2ncccc2c1 ZINC000423091439 1028176655 /nfs/dbraw/zinc/17/66/55/1028176655.db2.gz ZXUOBZSBOXUFHU-IRLDBZIGSA-N 1 3 345.446 3.580 20 0 EHADHO C[C@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000423125112 1028193681 /nfs/dbraw/zinc/19/36/81/1028193681.db2.gz HRDAWSRWCXIJPK-DETPVDSQSA-N 1 3 337.305 3.660 20 0 EHADHO C[C@H](Cc1ccccc1)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414717987 1028194176 /nfs/dbraw/zinc/19/41/76/1028194176.db2.gz QMJHBNSSSLDKEA-DENIHFKCSA-N 1 3 337.511 3.905 20 0 EHADHO CCCN(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423107457 1028198315 /nfs/dbraw/zinc/19/83/15/1028198315.db2.gz PYBXNSITJZQUKR-ZZJWQFMZSA-N 1 3 335.923 3.596 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423187423 1028257775 /nfs/dbraw/zinc/25/77/75/1028257775.db2.gz PJSHPDAMXITHGU-ZTFGCOKTSA-N 1 3 334.454 3.897 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423187421 1028258577 /nfs/dbraw/zinc/25/85/77/1028258577.db2.gz PJSHPDAMXITHGU-FHLIZLRMSA-N 1 3 334.454 3.897 20 0 EHADHO Brc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2ccco2)cc1 ZINC000423252811 1028314836 /nfs/dbraw/zinc/31/48/36/1028314836.db2.gz UUUPIAMVVGANPJ-GUYCJALGSA-N 1 3 349.272 3.721 20 0 EHADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000423291559 1028328812 /nfs/dbraw/zinc/32/88/12/1028328812.db2.gz IVMSDXZMJGKOFH-NSHDSACASA-N 1 3 331.273 3.626 20 0 EHADHO COc1ccc(C[C@H]([NH2+]C[C@@H](N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270675 1028334185 /nfs/dbraw/zinc/33/41/85/1028334185.db2.gz IJMLUTJTZQWUJS-RTWAWAEBSA-N 1 3 342.483 3.561 20 0 EHADHO OC1(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421378779 1028337774 /nfs/dbraw/zinc/33/77/74/1028337774.db2.gz TUHWQOQFYXAKPN-QHAWAJNXSA-N 1 3 342.527 3.572 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](N)C(C)C)CCC3)cc1 ZINC000423275701 1028338747 /nfs/dbraw/zinc/33/87/47/1028338747.db2.gz NMHLSHRILBLTRX-CVEARBPZSA-N 1 3 345.512 3.769 20 0 EHADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423294516 1028354171 /nfs/dbraw/zinc/35/41/71/1028354171.db2.gz UPCWRPWPHKPALT-LIRRHRJNSA-N 1 3 326.440 3.718 20 0 EHADHO CCOc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1OCC ZINC000423358878 1028385831 /nfs/dbraw/zinc/38/58/31/1028385831.db2.gz OENFTSITVISHDP-HNNXBMFYSA-N 1 3 340.467 3.938 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCSc3ccc(Br)cc32)C1 ZINC000423365979 1028390923 /nfs/dbraw/zinc/39/09/23/1028390923.db2.gz BITUASBVKCAHLE-DYEKYZERSA-N 1 3 341.318 3.846 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)CCN1 ZINC000423390106 1028405540 /nfs/dbraw/zinc/40/55/40/1028405540.db2.gz VSSGYCBHJCJRKR-SRCQZFHVSA-N 1 3 337.305 3.500 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@H](C)[C@H](C)[NH3+])nc1 ZINC000423479967 1028463792 /nfs/dbraw/zinc/46/37/92/1028463792.db2.gz VSTQVNJLEXBRLG-MDOVXXIYSA-N 1 3 345.918 3.777 20 0 EHADHO C[C@@H]1C[C@@H](CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754157 1028551037 /nfs/dbraw/zinc/55/10/37/1028551037.db2.gz NJKBVUWAULEAEJ-IIYDPXPESA-N 1 3 332.879 3.741 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@](C)(O)c1ccccc1 ZINC000237132327 1028616072 /nfs/dbraw/zinc/61/60/72/1028616072.db2.gz UZZVYPVTSBRSHP-QFIPXVFZSA-N 1 3 340.511 3.642 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@](C)(O)c1ccccc1 ZINC000237132327 1028616080 /nfs/dbraw/zinc/61/60/80/1028616080.db2.gz UZZVYPVTSBRSHP-QFIPXVFZSA-N 1 3 340.511 3.642 20 0 EHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247182981 1028756992 /nfs/dbraw/zinc/75/69/92/1028756992.db2.gz ZICAKGABUHSWNN-FIKGOQFSSA-N 1 3 346.515 3.552 20 0 EHADHO CCc1nc(C)c([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000162491964 1028876370 /nfs/dbraw/zinc/87/63/70/1028876370.db2.gz HESCPXPPJASRLK-AWEZNQCLSA-N 1 3 347.528 3.805 20 0 EHADHO c1csc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248402807 1028893672 /nfs/dbraw/zinc/89/36/72/1028893672.db2.gz NTYREDRZIDVDGO-GBESFXJTSA-N 1 3 341.524 3.576 20 0 EHADHO c1csc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248402807 1028893693 /nfs/dbraw/zinc/89/36/93/1028893693.db2.gz NTYREDRZIDVDGO-GBESFXJTSA-N 1 3 341.524 3.576 20 0 EHADHO COC[C@H](NC1CCC([NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000421873208 1028903688 /nfs/dbraw/zinc/90/36/88/1028903688.db2.gz HNVZBGWSMCDCCW-ZUEPYMLJSA-N 1 3 328.859 3.629 20 0 EHADHO COc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162550819 1028977331 /nfs/dbraw/zinc/97/73/31/1028977331.db2.gz KUHDWRGATOXZSB-OAHLLOKOSA-N 1 3 346.446 3.626 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000162574140 1029008396 /nfs/dbraw/zinc/00/83/96/1029008396.db2.gz JOZCYUSPUSUXOL-FQEVSTJZSA-N 1 3 340.467 3.631 20 0 EHADHO c1sc(-c2ccccc2)nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787619 1029059935 /nfs/dbraw/zinc/05/99/35/1029059935.db2.gz VPUCFHJQSOHAOP-SJORKVTESA-N 1 3 327.497 3.632 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117352 1029063410 /nfs/dbraw/zinc/06/34/10/1029063410.db2.gz ZSWVPKFMYYUTFV-IRXDYDNUSA-N 1 3 336.907 3.915 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117352 1029063431 /nfs/dbraw/zinc/06/34/31/1029063431.db2.gz ZSWVPKFMYYUTFV-IRXDYDNUSA-N 1 3 336.907 3.915 20 0 EHADHO [NH3+]C[C@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261768508 1029501384 /nfs/dbraw/zinc/50/13/84/1029501384.db2.gz DMXPYHTZUGCTIN-OAHLLOKOSA-N 1 3 330.422 3.767 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000278301994 1030055341 /nfs/dbraw/zinc/05/53/41/1030055341.db2.gz VVPPQEOAIKRKCM-HXUWFJFHSA-N 1 3 343.559 3.671 20 0 EHADHO Cc1ccncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453323960 1030104782 /nfs/dbraw/zinc/10/47/82/1030104782.db2.gz KFSXCEVDNOIVIR-YPAWHYETSA-N 1 3 335.495 3.923 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000531992078 1030243155 /nfs/dbraw/zinc/24/31/55/1030243155.db2.gz QPXMGBGQUSGGFZ-ABSDTBQOSA-N 1 3 340.515 3.814 20 0 EHADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(Br)cc1 ZINC000531995239 1030247236 /nfs/dbraw/zinc/24/72/36/1030247236.db2.gz JCBPPEWSUJUFJA-VBNZEHGJSA-N 1 3 325.294 3.973 20 0 EHADHO CCC[N@H+](Cc1ccnn1-c1ccncc1)[C@@H]1CCCc2cccnc21 ZINC000668003306 1030329963 /nfs/dbraw/zinc/32/99/63/1030329963.db2.gz NNPKYXSXKGCZHG-HXUWFJFHSA-N 1 3 347.466 3.952 20 0 EHADHO CCC[N@@H+](Cc1ccnn1-c1ccncc1)[C@@H]1CCCc2cccnc21 ZINC000668003306 1030329980 /nfs/dbraw/zinc/32/99/80/1030329980.db2.gz NNPKYXSXKGCZHG-HXUWFJFHSA-N 1 3 347.466 3.952 20 0 EHADHO C[C@H](Cc1ccsc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527240603 1030731929 /nfs/dbraw/zinc/73/19/29/1030731929.db2.gz JOPVPNYGYWHXNE-AHRSYUTCSA-N 1 3 326.509 3.743 20 0 EHADHO C[C@H](Cc1ccsc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527240603 1030731948 /nfs/dbraw/zinc/73/19/48/1030731948.db2.gz JOPVPNYGYWHXNE-AHRSYUTCSA-N 1 3 326.509 3.743 20 0 EHADHO COc1cc2c(c(CN3CCC(CCC[NH+](C)C)CC3)c1)O[C@@H](C)C2 ZINC000537648519 1030745444 /nfs/dbraw/zinc/74/54/44/1030745444.db2.gz JMEIXCMFJIJPQO-INIZCTEOSA-N 1 3 346.515 3.572 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881977 1030757765 /nfs/dbraw/zinc/75/77/65/1030757765.db2.gz GAJBLMNFSLYYBN-RTWAWAEBSA-N 1 3 344.543 3.939 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2COc3ccccc3C2)CC1 ZINC000551050128 1030980455 /nfs/dbraw/zinc/98/04/55/1030980455.db2.gz FLQQLEBDVDLTPA-DYESRHJHSA-N 1 3 336.479 3.805 20 0 EHADHO CCN(C)c1ccc(CN2CCC(CCC[NH+](CC)CC)CC2)cn1 ZINC000483324169 1031117173 /nfs/dbraw/zinc/11/71/73/1031117173.db2.gz XVOXHJMBPITFNC-UHFFFAOYSA-N 1 3 346.563 3.872 20 0 EHADHO COc1c(C)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000537698686 1031183894 /nfs/dbraw/zinc/18/38/94/1031183894.db2.gz WEDPADWDNIXKHT-ICSRJNTNSA-N 1 3 328.500 3.761 20 0 EHADHO COc1c(C)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000537698686 1031183903 /nfs/dbraw/zinc/18/39/03/1031183903.db2.gz WEDPADWDNIXKHT-ICSRJNTNSA-N 1 3 328.500 3.761 20 0 EHADHO COc1ccc2nc(CNCC3CC[NH+](CC4CC4)CC3)sc2c1 ZINC000657813285 1031331806 /nfs/dbraw/zinc/33/18/06/1031331806.db2.gz NDZGINXZANBLMW-UHFFFAOYSA-N 1 3 345.512 3.517 20 0 EHADHO C[C@H]1C[C@H](NC[C@@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549347 1031337055 /nfs/dbraw/zinc/33/70/55/1031337055.db2.gz VQBAGFMWIMTFEO-ZLGUVYLKSA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H]1C[C@H](NC[C@@H](O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000278549347 1031337071 /nfs/dbraw/zinc/33/70/71/1031337071.db2.gz VQBAGFMWIMTFEO-ZLGUVYLKSA-N 1 3 342.458 3.502 20 0 EHADHO CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000527848922 1031366989 /nfs/dbraw/zinc/36/69/89/1031366989.db2.gz KOIZRRQMUUVHJK-MOPGFXCFSA-N 1 3 331.548 3.878 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000527929248 1031491238 /nfs/dbraw/zinc/49/12/38/1031491238.db2.gz PHGVHHXPNUALAM-CMOCDZPBSA-N 1 3 342.527 3.693 20 0 EHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000178039972 1031612760 /nfs/dbraw/zinc/61/27/60/1031612760.db2.gz ZICAKGABUHSWNN-XGHQBKJUSA-N 1 3 346.515 3.552 20 0 EHADHO Cc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000180439223 1031853599 /nfs/dbraw/zinc/85/35/99/1031853599.db2.gz CMULCKHUMWKIQO-UHFFFAOYSA-N 1 3 336.907 3.725 20 0 EHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(Br)c(F)c1 ZINC000574877240 1033669613 /nfs/dbraw/zinc/66/96/13/1033669613.db2.gz LOMDWIHIQPPXOR-LLVKDONJSA-N 1 3 337.236 3.898 20 0 EHADHO Cc1ncsc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472350334 1033769001 /nfs/dbraw/zinc/76/90/01/1033769001.db2.gz TUXLYIBQSPVUDG-MSOLQXFVSA-N 1 3 329.513 3.624 20 0 EHADHO COc1cccc(-c2nc(CNC3CCC([NH+](C)C)CC3)cs2)c1 ZINC001168315877 1033968224 /nfs/dbraw/zinc/96/82/24/1033968224.db2.gz PJUJJLBTJZEGCV-UHFFFAOYSA-N 1 3 345.512 3.781 20 0 EHADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000119273507 1034105160 /nfs/dbraw/zinc/10/51/60/1034105160.db2.gz BUCPAOFQPUQEAN-XOQYZJNISA-N 1 3 348.918 3.834 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658236632 1034105625 /nfs/dbraw/zinc/10/56/25/1034105625.db2.gz KCOPZFHPWHSBGE-XWFZLUIHSA-N 1 3 336.479 3.880 20 0 EHADHO C[NH+](C)C1CCC(N2CCc3ccc(C(F)(F)F)cc3C2)CC1 ZINC001168324015 1034118873 /nfs/dbraw/zinc/11/88/73/1034118873.db2.gz GKFUPKWPDBVWGO-UHFFFAOYSA-N 1 3 326.406 3.936 20 0 EHADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000643493868 1034121744 /nfs/dbraw/zinc/12/17/44/1034121744.db2.gz XPRZLXZXOHCPBA-HOTGVXAUSA-N 1 3 341.499 3.777 20 0 EHADHO C[NH+](C)CC[C@@H](NCc1cccc(Br)c1)C(C)(C)C ZINC000604770823 1034486720 /nfs/dbraw/zinc/48/67/20/1034486720.db2.gz LHWBGDCBNXWMRW-OAHLLOKOSA-N 1 3 327.310 3.905 20 0 EHADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000571504563 1035509794 /nfs/dbraw/zinc/50/97/94/1035509794.db2.gz AHXWTVPUOBQSMS-LBPRGKRZSA-N 1 3 345.409 3.530 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414108193 1035528691 /nfs/dbraw/zinc/52/86/91/1035528691.db2.gz ZWLBSTGAKLGZMG-KSZLIROESA-N 1 3 334.504 3.544 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414108192 1035529964 /nfs/dbraw/zinc/52/99/64/1035529964.db2.gz ZWLBSTGAKLGZMG-FGTMMUONSA-N 1 3 334.504 3.544 20 0 EHADHO C[C@H](c1ccccc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956335 1035728877 /nfs/dbraw/zinc/72/88/77/1035728877.db2.gz MWEWSMMGTHHBPH-MRXNPFEDSA-N 1 3 336.907 3.978 20 0 EHADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414209212 1036062631 /nfs/dbraw/zinc/06/26/31/1036062631.db2.gz KIYDWQZWBNDVCZ-GWCFXTLKSA-N 1 3 331.685 3.532 20 0 EHADHO c1c2ccccc2oc1[C@@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000572234559 1036049373 /nfs/dbraw/zinc/04/93/73/1036049373.db2.gz IAAVKECKXCGCBT-VGYLUTEMSA-N 1 3 347.462 3.895 20 0 EHADHO C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414209213 1036063035 /nfs/dbraw/zinc/06/30/35/1036063035.db2.gz KIYDWQZWBNDVCZ-GXFFZTMASA-N 1 3 331.685 3.532 20 0 EHADHO Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168393183 1036583459 /nfs/dbraw/zinc/58/34/59/1036583459.db2.gz YXKROMLEJBCFFK-HXUWFJFHSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccccc1O[C@@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168393183 1036583473 /nfs/dbraw/zinc/58/34/73/1036583473.db2.gz YXKROMLEJBCFFK-HXUWFJFHSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1cccc(OCC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464837633 1036852069 /nfs/dbraw/zinc/85/20/69/1036852069.db2.gz MARYAIQAMKCUHZ-NRFANRHFSA-N 1 3 338.495 3.828 20 0 EHADHO Cc1cccc(OCC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464837633 1036852080 /nfs/dbraw/zinc/85/20/80/1036852080.db2.gz MARYAIQAMKCUHZ-NRFANRHFSA-N 1 3 338.495 3.828 20 0 EHADHO COC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310994653 1036937740 /nfs/dbraw/zinc/93/77/40/1036937740.db2.gz TXTJEYPFISFATE-QIJUGHKUSA-N 1 3 338.495 3.874 20 0 EHADHO CCOc1cccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162563539 1036953109 /nfs/dbraw/zinc/95/31/09/1036953109.db2.gz HQMGIJLWHYJPGY-QGZVFWFLSA-N 1 3 342.483 3.877 20 0 EHADHO C[NH+](C)CCOc1ccc(CNCc2cnccc2C(C)(C)C)cc1 ZINC000666417216 1036996991 /nfs/dbraw/zinc/99/69/91/1036996991.db2.gz NTLOJSDHQKYBHJ-UHFFFAOYSA-N 1 3 341.499 3.609 20 0 EHADHO Cc1cccc2c1ncc(C)c2NC1CC[NH+](CCOC(C)C)CC1 ZINC000462481084 1037019111 /nfs/dbraw/zinc/01/91/11/1037019111.db2.gz QEDHRILFQCDWFK-UHFFFAOYSA-N 1 3 341.499 3.575 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3ccncc3C)C2)s1 ZINC000573123353 1037293928 /nfs/dbraw/zinc/29/39/28/1037293928.db2.gz GAUDIPJHBIAJAB-SFHVURJKSA-N 1 3 343.540 3.756 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3ccncc3C)C2)s1 ZINC000573123353 1037293943 /nfs/dbraw/zinc/29/39/43/1037293943.db2.gz GAUDIPJHBIAJAB-SFHVURJKSA-N 1 3 343.540 3.756 20 0 EHADHO CC[NH+]1CCC(CN[C@@H](C)c2ccccc2Br)CC1 ZINC000044517503 1037359455 /nfs/dbraw/zinc/35/94/55/1037359455.db2.gz BVNXGIMZFOJCTO-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO CC(C)CN1CCC([NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000151661869 1037509199 /nfs/dbraw/zinc/50/91/99/1037509199.db2.gz UHGMANDKOXNHGB-QGZVFWFLSA-N 1 3 326.488 3.643 20 0 EHADHO Cc1cc(Br)cc2c1[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000493905144 1037701526 /nfs/dbraw/zinc/70/15/26/1037701526.db2.gz GVAVYOYGZRDIRC-GUYCJALGSA-N 1 3 349.316 3.819 20 0 EHADHO Cc1cc(Br)cc2c1[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905144 1037701543 /nfs/dbraw/zinc/70/15/43/1037701543.db2.gz GVAVYOYGZRDIRC-GUYCJALGSA-N 1 3 349.316 3.819 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCC(C)CC1 ZINC000463119589 1037784813 /nfs/dbraw/zinc/78/48/13/1037784813.db2.gz PJPLGISGYCYQMQ-KCZVDYSFSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCCCC2)CCN1Cc1ccccc1 ZINC000463143426 1037790325 /nfs/dbraw/zinc/79/03/25/1037790325.db2.gz SIGDQCHZOBRINM-PZJWPPBQSA-N 1 3 343.559 3.894 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000540320432 1037793234 /nfs/dbraw/zinc/79/32/34/1037793234.db2.gz KRHXPYNNOUSAOO-PBFPGSCMSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCCC[C@@H]1C ZINC000463148375 1037813541 /nfs/dbraw/zinc/81/35/41/1037813541.db2.gz SDHGOWJTLXTHNQ-VQTJNVASSA-N 1 3 343.559 3.546 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cccc(O)c2OC)CC1)CC(C)C ZINC000584557373 1038009545 /nfs/dbraw/zinc/00/95/45/1038009545.db2.gz VKCCRXKFDYIISR-UHFFFAOYSA-N 1 3 348.531 3.981 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cccc(O)c2OC)CC1)CC(C)C ZINC000584557373 1038009564 /nfs/dbraw/zinc/00/95/64/1038009564.db2.gz VKCCRXKFDYIISR-UHFFFAOYSA-N 1 3 348.531 3.981 20 0 EHADHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163949887 1038432941 /nfs/dbraw/zinc/43/29/41/1038432941.db2.gz ZQUBNVXDYPXNDK-FQEVSTJZSA-N 1 3 338.499 3.573 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccnc(OC)c2)CC1)CC(C)C ZINC000539099380 1038685258 /nfs/dbraw/zinc/68/52/58/1038685258.db2.gz CNSQJLKBBWOILJ-UHFFFAOYSA-N 1 3 333.520 3.670 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccnc(OC)c2)CC1)CC(C)C ZINC000539099380 1038685265 /nfs/dbraw/zinc/68/52/65/1038685265.db2.gz CNSQJLKBBWOILJ-UHFFFAOYSA-N 1 3 333.520 3.670 20 0 EHADHO Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000668820702 1038834765 /nfs/dbraw/zinc/83/47/65/1038834765.db2.gz XNBFIFQIOIBIGJ-FVWXCPNNSA-N 1 3 334.454 3.922 20 0 EHADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCN2CCCC2)cc1F ZINC000480159810 1039244986 /nfs/dbraw/zinc/24/49/86/1039244986.db2.gz DUPIFWBZMBSMFF-HKUYNNGSSA-N 1 3 334.479 3.936 20 0 EHADHO c1ccc([C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]2CCOC2)cc1 ZINC000552525192 1039352450 /nfs/dbraw/zinc/35/24/50/1039352450.db2.gz HBJONUWGTQWGRJ-RXVVDRJESA-N 1 3 328.500 3.761 20 0 EHADHO Cc1cnn(CCCCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000554457474 1039375813 /nfs/dbraw/zinc/37/58/13/1039375813.db2.gz FFRBXECWAURHIO-NRFANRHFSA-N 1 3 346.563 3.950 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC000549803656 1039918336 /nfs/dbraw/zinc/91/83/36/1039918336.db2.gz BIASZCBBQKXUGV-QYZOEREBSA-N 1 3 338.536 3.743 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000480737989 1039953248 /nfs/dbraw/zinc/95/32/48/1039953248.db2.gz INFAGMOYPIBKEH-NHCUHLMSSA-N 1 3 344.474 3.862 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562783 1040088513 /nfs/dbraw/zinc/08/85/13/1040088513.db2.gz VZRRYJPDUZFHER-UZLBHIALSA-N 1 3 328.500 3.711 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(Br)c1 ZINC000020128752 1041179990 /nfs/dbraw/zinc/17/99/90/1041179990.db2.gz VQKTVPDEFFXBCJ-CQSZACIVSA-N 1 3 325.294 3.976 20 0 EHADHO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000571292713 1041258015 /nfs/dbraw/zinc/25/80/15/1041258015.db2.gz QYNWENUSGLVBII-SFHLNBCPSA-N 1 3 331.548 3.750 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433330365 1041292386 /nfs/dbraw/zinc/29/23/86/1041292386.db2.gz BQESNAJCLBUEHO-HZPDHXFCSA-N 1 3 330.476 3.517 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCC(=O)OC(C)(C)C)CC2)C1 ZINC000512963740 1041306319 /nfs/dbraw/zinc/30/63/19/1041306319.db2.gz IHPUSGZYRMCWOO-WMZOPIPTSA-N 1 3 338.536 3.741 20 0 EHADHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659880 1041758034 /nfs/dbraw/zinc/75/80/34/1041758034.db2.gz RKNLWNAHZADZFM-QGZVFWFLSA-N 1 3 342.405 3.545 20 0 EHADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659880 1041758039 /nfs/dbraw/zinc/75/80/39/1041758039.db2.gz RKNLWNAHZADZFM-QGZVFWFLSA-N 1 3 342.405 3.545 20 0 EHADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)CC(C)C ZINC000044277179 1041870162 /nfs/dbraw/zinc/87/01/62/1041870162.db2.gz AUJMAXDFRLNEOY-LJQANCHMSA-N 1 3 348.535 3.626 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000164473291 1042271085 /nfs/dbraw/zinc/27/10/85/1042271085.db2.gz WWHQVRYFWPTIFC-INIZCTEOSA-N 1 3 345.487 3.558 20 0 EHADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc2c1CNC2 ZINC000662382137 1042697126 /nfs/dbraw/zinc/69/71/26/1042697126.db2.gz NSEVYOWTJTWTTL-UHFFFAOYSA-N 1 3 335.451 3.528 20 0 EHADHO Cc1cc([C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)ccc1F ZINC000432427108 1043183331 /nfs/dbraw/zinc/18/33/31/1043183331.db2.gz XINQTLIAKUDELX-UZLBHIALSA-N 1 3 334.479 3.676 20 0 EHADHO Cc1cc([C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)C2CC2)ccc1F ZINC000432427108 1043183338 /nfs/dbraw/zinc/18/33/38/1043183338.db2.gz XINQTLIAKUDELX-UZLBHIALSA-N 1 3 334.479 3.676 20 0 EHADHO C[C@H](C[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1)NC(=O)OC(C)(C)C ZINC000753767219 1044460860 /nfs/dbraw/zinc/46/08/60/1044460860.db2.gz CVGMPTDSECTMGA-ZACQAIPSSA-N 1 3 341.540 3.532 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C12CCCC2 ZINC000512335093 1044760628 /nfs/dbraw/zinc/76/06/28/1044760628.db2.gz CBCAJALKTSRVPA-QGZVKYPTSA-N 1 3 334.548 3.967 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000174628624 1126857174 /nfs/dbraw/zinc/85/71/74/1126857174.db2.gz FUKKSSNHYKOZQO-FUHWJXTLSA-N 1 3 334.504 3.694 20 0 EHADHO COc1cc(CNCc2cccc(OCC[NH+](C)C)c2)ccc1Cl ZINC000623361629 1126930465 /nfs/dbraw/zinc/93/04/65/1126930465.db2.gz HXMBKCQBYVUAAH-UHFFFAOYSA-N 1 3 348.874 3.579 20 0 EHADHO CN1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476235 1126963764 /nfs/dbraw/zinc/96/37/64/1126963764.db2.gz UHUPUELOWPFPCW-BZSNNMDCSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476235 1126963767 /nfs/dbraw/zinc/96/37/67/1126963767.db2.gz UHUPUELOWPFPCW-BZSNNMDCSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476235 1126963771 /nfs/dbraw/zinc/96/37/71/1126963771.db2.gz UHUPUELOWPFPCW-BZSNNMDCSA-N 1 3 335.923 3.548 20 0 EHADHO Cc1cc(CNCCCCC[NH+]2CCCC2)ncc1Br ZINC000623533500 1126977111 /nfs/dbraw/zinc/97/71/11/1126977111.db2.gz CQZRRFMVSCFIEQ-UHFFFAOYSA-N 1 3 340.309 3.508 20 0 EHADHO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036677 1127005191 /nfs/dbraw/zinc/00/51/91/1127005191.db2.gz VCSRBIKXISBFOI-FGTMMUONSA-N 1 3 334.504 3.544 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178413934 1127016729 /nfs/dbraw/zinc/01/67/29/1127016729.db2.gz NRKSQCDWFUPLNV-AWEZNQCLSA-N 1 3 330.394 3.764 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000180789315 1127187265 /nfs/dbraw/zinc/18/72/65/1127187265.db2.gz BMMLNHPHAKRMAV-UHFFFAOYSA-N 1 3 328.504 3.668 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000623899067 1127209620 /nfs/dbraw/zinc/20/96/20/1127209620.db2.gz ZPSPWTDSNJMJDE-IPYPFGDCSA-N 1 3 325.294 3.891 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000623899067 1127209622 /nfs/dbraw/zinc/20/96/22/1127209622.db2.gz ZPSPWTDSNJMJDE-IPYPFGDCSA-N 1 3 325.294 3.891 20 0 EHADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624225357 1127325646 /nfs/dbraw/zinc/32/56/46/1127325646.db2.gz QSUJYONTKYJVMC-INIZCTEOSA-N 1 3 339.886 3.522 20 0 EHADHO CCOc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000765406036 1127608410 /nfs/dbraw/zinc/60/84/10/1127608410.db2.gz LIYOCNXFSOCUMD-KSZLIROESA-N 1 3 334.504 3.625 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000347543752 1128066008 /nfs/dbraw/zinc/06/60/08/1128066008.db2.gz YWANSOPNWUMSQD-MRXNPFEDSA-N 1 3 349.478 3.774 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000347543752 1128066011 /nfs/dbraw/zinc/06/60/11/1128066011.db2.gz YWANSOPNWUMSQD-MRXNPFEDSA-N 1 3 349.478 3.774 20 0 EHADHO COc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000903066401 1128455052 /nfs/dbraw/zinc/45/50/52/1128455052.db2.gz MDYXEZMDZIPCES-CJNGLKHVSA-N 1 3 334.891 3.800 20 0 EHADHO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000186488812 1128764172 /nfs/dbraw/zinc/76/41/72/1128764172.db2.gz MSINNZHCVWFRMV-XETPZHMNSA-N 1 3 346.515 3.659 20 0 EHADHO Cc1cc(C)cc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110435405 1128786381 /nfs/dbraw/zinc/78/63/81/1128786381.db2.gz AVLFQISKSZXESP-KDURUIRLSA-N 1 3 330.516 3.625 20 0 EHADHO Cc1ccc2ncc(C[NH2+]C[C@H]3CCCN(Cc4ccccc4)C3)n2c1 ZINC001648965867 1120284082 /nfs/dbraw/zinc/28/40/82/1120284082.db2.gz VKUUFMDDDHOWQY-HXUWFJFHSA-N 1 3 348.494 3.645 20 0 EHADHO Cc1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc(C)c1O ZINC000191575621 1120679196 /nfs/dbraw/zinc/67/91/96/1120679196.db2.gz BZUMQODVSIXINI-UHFFFAOYSA-N 1 3 330.516 3.938 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000192785394 1120749092 /nfs/dbraw/zinc/74/90/92/1120749092.db2.gz CPXALRXSRYZBDH-IBGZPJMESA-N 1 3 343.559 3.632 20 0 EHADHO CCc1cc(Br)ccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC001235091624 1121296104 /nfs/dbraw/zinc/29/61/04/1121296104.db2.gz GJFCSZXMPJIGIU-UHFFFAOYSA-N 1 3 337.305 3.587 20 0 EHADHO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000495897201 1121562255 /nfs/dbraw/zinc/56/22/55/1121562255.db2.gz KQLDWMPDGDMMOV-IXDOHACOSA-N 1 3 341.540 3.532 20 0 EHADHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCc2ccc(Br)cc21 ZINC000356681322 1128995341 /nfs/dbraw/zinc/99/53/41/1128995341.db2.gz PLXIZWMLRRUXAF-LRDDRELGSA-N 1 3 325.294 3.756 20 0 EHADHO C[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)C1CC[NH+](C)CC1 ZINC000672617045 1129031008 /nfs/dbraw/zinc/03/10/08/1129031008.db2.gz GTRODEUEBZXFSA-SNVBAGLBSA-N 1 3 336.348 3.804 20 0 EHADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccccc1Br ZINC000125320906 1122312923 /nfs/dbraw/zinc/31/29/23/1122312923.db2.gz PAZOJBNRIQHRRK-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126744048 1122422050 /nfs/dbraw/zinc/42/20/50/1122422050.db2.gz JAUIKTWXXAMGQN-LJQANCHMSA-N 1 3 337.511 3.593 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000556872232 1123161922 /nfs/dbraw/zinc/16/19/22/1123161922.db2.gz GYQCLUWMRWMIKK-UAGQMJEPSA-N 1 3 342.405 3.676 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000556872232 1123161923 /nfs/dbraw/zinc/16/19/23/1123161923.db2.gz GYQCLUWMRWMIKK-UAGQMJEPSA-N 1 3 342.405 3.676 20 0 EHADHO C[C@H](CN1CCCCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245689556 1123925982 /nfs/dbraw/zinc/92/59/82/1123925982.db2.gz KDEYKLRZGYXRJJ-PSWRPDDJSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@H]1C[C@H](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)C1 ZINC000246211962 1124055042 /nfs/dbraw/zinc/05/50/42/1124055042.db2.gz KIELOYZWROOSLF-IVAOSVALSA-N 1 3 335.580 3.551 20 0 EHADHO C[C@H]1C[C@H](CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)C1 ZINC000246211962 1124055047 /nfs/dbraw/zinc/05/50/47/1124055047.db2.gz KIELOYZWROOSLF-IVAOSVALSA-N 1 3 335.580 3.551 20 0 EHADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000379843516 1124562128 /nfs/dbraw/zinc/56/21/28/1124562128.db2.gz HKGBRLJONACEGG-PCCBWWKXSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2o1 ZINC000246963818 1124571137 /nfs/dbraw/zinc/57/11/37/1124571137.db2.gz IYJAZFGFMHPFON-BRWVUGGUSA-N 1 3 330.472 3.973 20 0 EHADHO CC1CCN([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000248035580 1124636327 /nfs/dbraw/zinc/63/63/27/1124636327.db2.gz RLAZUCUBVYMPSU-OKZBNKHCSA-N 1 3 335.561 3.593 20 0 EHADHO CC1CCN([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000248035580 1124636333 /nfs/dbraw/zinc/63/63/33/1124636333.db2.gz RLAZUCUBVYMPSU-OKZBNKHCSA-N 1 3 335.561 3.593 20 0 EHADHO CSc1ccccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000249386163 1124753744 /nfs/dbraw/zinc/75/37/44/1124753744.db2.gz BJWXQCDEUNYCNX-IXDOHACOSA-N 1 3 336.545 3.949 20 0 EHADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2n1C ZINC000091286817 1124972901 /nfs/dbraw/zinc/97/29/01/1124972901.db2.gz KYLZCFNISZKTRF-KSZLIROESA-N 1 3 342.531 3.982 20 0 EHADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2n1C ZINC000091286817 1124972907 /nfs/dbraw/zinc/97/29/07/1124972907.db2.gz KYLZCFNISZKTRF-KSZLIROESA-N 1 3 342.531 3.982 20 0 EHADHO CC[NH+]1CCC(CCN[C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091348405 1124977817 /nfs/dbraw/zinc/97/78/17/1124977817.db2.gz RZZKCTVMCQQDNS-AWEZNQCLSA-N 1 3 348.922 3.999 20 0 EHADHO C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336884 1125228026 /nfs/dbraw/zinc/22/80/26/1125228026.db2.gz RTNJMKBLYCDASV-HXUWFJFHSA-N 1 3 348.490 3.916 20 0 EHADHO C[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336884 1125228030 /nfs/dbraw/zinc/22/80/30/1125228030.db2.gz RTNJMKBLYCDASV-HXUWFJFHSA-N 1 3 348.490 3.916 20 0 EHADHO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182618812 1125341144 /nfs/dbraw/zinc/34/11/44/1125341144.db2.gz LXVTZCARHVWWPH-SJORKVTESA-N 1 3 334.504 3.614 20 0 EHADHO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182999560 1125416547 /nfs/dbraw/zinc/41/65/47/1125416547.db2.gz WMVIHKOYOULSKN-LPHOPBHVSA-N 1 3 334.504 3.757 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc1OC ZINC000183016277 1125420313 /nfs/dbraw/zinc/42/03/13/1125420313.db2.gz OIJZETCDNZRDNH-QKLQHJQFSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1CN1CCCCC1 ZINC000183098750 1125443915 /nfs/dbraw/zinc/44/39/15/1125443915.db2.gz VXWLATNWVMSOER-UTKZUKDTSA-N 1 3 346.515 3.901 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1OC ZINC000183115098 1125446614 /nfs/dbraw/zinc/44/66/14/1125446614.db2.gz VMYKBCMHWLAUPX-MBOZVWFJSA-N 1 3 348.531 3.739 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000479071211 1129340113 /nfs/dbraw/zinc/34/01/13/1129340113.db2.gz RCGLJYCXEJBUHS-QFBILLFUSA-N 1 3 334.504 3.647 20 0 EHADHO Cn1c2cc(Cl)ccc2nc1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC000922847526 1129690203 /nfs/dbraw/zinc/69/02/03/1129690203.db2.gz STTIAVYAFMWGDK-UHFFFAOYSA-N 1 3 346.906 3.723 20 0 EHADHO CC[C@H](Cc1ccccc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165687 1130223224 /nfs/dbraw/zinc/22/32/24/1130223224.db2.gz JZVKAKMZRBVNFG-JOCHJYFZSA-N 1 3 337.511 3.905 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000348048018 1131137223 /nfs/dbraw/zinc/13/72/23/1131137223.db2.gz MPEAGMBMVRMZHI-UHFFFAOYSA-N 1 3 340.458 3.947 20 0 EHADHO CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172432472 1131725919 /nfs/dbraw/zinc/72/59/19/1131725919.db2.gz BITHNQYRFMMVAK-BVOGOJNSSA-N 1 3 330.516 3.690 20 0 EHADHO CO[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001172925883 1131907829 /nfs/dbraw/zinc/90/78/29/1131907829.db2.gz LFLDALWPNPSHNJ-OALUTQOASA-N 1 3 334.479 3.585 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCCN(C2CCC2)C1 ZINC001169124125 1132665324 /nfs/dbraw/zinc/66/53/24/1132665324.db2.gz MLVIPKUVNJKCGM-NSHGMRRFSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169124125 1132665328 /nfs/dbraw/zinc/66/53/28/1132665328.db2.gz MLVIPKUVNJKCGM-NSHGMRRFSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124125 1132665331 /nfs/dbraw/zinc/66/53/31/1132665331.db2.gz MLVIPKUVNJKCGM-NSHGMRRFSA-N 1 3 334.548 3.968 20 0 EHADHO CC[NH+]1CCC(NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001169221796 1132699886 /nfs/dbraw/zinc/69/98/86/1132699886.db2.gz MPPSHPFOGISUGT-LJQANCHMSA-N 1 3 335.923 3.551 20 0 EHADHO CCN1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001169221796 1132699888 /nfs/dbraw/zinc/69/98/88/1132699888.db2.gz MPPSHPFOGISUGT-LJQANCHMSA-N 1 3 335.923 3.551 20 0 EHADHO CC[NH+]1CCC(N2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)CC1 ZINC001169255239 1132710282 /nfs/dbraw/zinc/71/02/82/1132710282.db2.gz OAWIEQHMMUAWNB-UNMCSNQZSA-N 1 3 341.543 3.805 20 0 EHADHO C[C@H](CC[NH2+]CCc1cccc(OC(F)(F)F)c1)N1CCCCC1 ZINC001180809615 1133418810 /nfs/dbraw/zinc/41/88/10/1133418810.db2.gz GZUQNVWWYRSGDD-OAHLLOKOSA-N 1 3 344.421 3.982 20 0 EHADHO C[C@H](CCNCCc1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC001180809615 1133418814 /nfs/dbraw/zinc/41/88/14/1133418814.db2.gz GZUQNVWWYRSGDD-OAHLLOKOSA-N 1 3 344.421 3.982 20 0 EHADHO C[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001181505426 1133495212 /nfs/dbraw/zinc/49/52/12/1133495212.db2.gz GRIARWNCUKFVIJ-UZKOGDIHSA-N 1 3 344.543 3.628 20 0 EHADHO C[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001181505426 1133495215 /nfs/dbraw/zinc/49/52/15/1133495215.db2.gz GRIARWNCUKFVIJ-UZKOGDIHSA-N 1 3 344.543 3.628 20 0 EHADHO CCCCN(CC)[C@H](C(=O)NC(C)(C)CC[NH+](C)C)c1ccccc1 ZINC001182237788 1133604447 /nfs/dbraw/zinc/60/44/47/1133604447.db2.gz RZBKOKCARXRIAX-IBGZPJMESA-N 1 3 347.547 3.696 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184387973 1133933623 /nfs/dbraw/zinc/93/36/23/1133933623.db2.gz ODICGIKABZTESN-DUFGSWQCSA-N 1 3 326.406 3.566 20 0 EHADHO C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc[nH]c(=O)c1 ZINC000788594981 1134149044 /nfs/dbraw/zinc/14/90/44/1134149044.db2.gz PVHSVKKKZRLKEI-QGZVFWFLSA-N 1 3 339.483 3.870 20 0 EHADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H](C)CCCC(C)C)CC2)C1 ZINC001170090155 1134177616 /nfs/dbraw/zinc/17/76/16/1134177616.db2.gz HPQQFLHSWJAQGI-MSOLQXFVSA-N 1 3 338.536 3.551 20 0 EHADHO COC(=O)[C@H]1CCC[N@H+](C2CCN([C@H](C)CCCC(C)C)CC2)C1 ZINC001170090155 1134177622 /nfs/dbraw/zinc/17/76/22/1134177622.db2.gz HPQQFLHSWJAQGI-MSOLQXFVSA-N 1 3 338.536 3.551 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)cc1CN1CCCCC1 ZINC000775396151 1134720394 /nfs/dbraw/zinc/72/03/94/1134720394.db2.gz YTNGDMZJPDVOLH-PXNSSMCTSA-N 1 3 348.531 3.739 20 0 EHADHO CC[C@H]1C[C@@H](N2CCC([N@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224527 1134722215 /nfs/dbraw/zinc/72/22/15/1134722215.db2.gz UJLODCGVAHIPAQ-SFTDATJTSA-N 1 3 330.516 3.931 20 0 EHADHO CC[C@H]1C[C@@H](N2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224527 1134722220 /nfs/dbraw/zinc/72/22/20/1134722220.db2.gz UJLODCGVAHIPAQ-SFTDATJTSA-N 1 3 330.516 3.931 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001170417915 1134770157 /nfs/dbraw/zinc/77/01/57/1134770157.db2.gz NFQVZUJEKJPVDM-INIZCTEOSA-N 1 3 346.515 3.977 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1CN1CCCCC1 ZINC000775423235 1134771714 /nfs/dbraw/zinc/77/17/14/1134771714.db2.gz OFIXRFDWLQWSHX-ABSDTBQOSA-N 1 3 346.515 3.899 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1CN1CCCCC1 ZINC000806170249 1135397440 /nfs/dbraw/zinc/39/74/40/1135397440.db2.gz YJGWMENMDVBODC-PXNSSMCTSA-N 1 3 348.531 3.596 20 0 EHADHO Clc1ccccc1CCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC001195536001 1135437695 /nfs/dbraw/zinc/43/76/95/1135437695.db2.gz NAQVGHVEVLVORZ-UHFFFAOYSA-N 1 3 329.875 3.880 20 0 EHADHO Clc1ccccc1CCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001195536001 1135437697 /nfs/dbraw/zinc/43/76/97/1135437697.db2.gz NAQVGHVEVLVORZ-UHFFFAOYSA-N 1 3 329.875 3.880 20 0 EHADHO Clc1ccccc1CCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC001195536001 1135437699 /nfs/dbraw/zinc/43/76/99/1135437699.db2.gz NAQVGHVEVLVORZ-UHFFFAOYSA-N 1 3 329.875 3.880 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001195963942 1135494028 /nfs/dbraw/zinc/49/40/28/1135494028.db2.gz YEFJICKIGLKONG-UHFFFAOYSA-N 1 3 337.596 3.939 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)C2CC(C)(C)CC(C)(C)C2)CC1 ZINC001195963942 1135494030 /nfs/dbraw/zinc/49/40/30/1135494030.db2.gz YEFJICKIGLKONG-UHFFFAOYSA-N 1 3 337.596 3.939 20 0 EHADHO CNc1ccccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527850 1135555055 /nfs/dbraw/zinc/55/50/55/1135555055.db2.gz BECWNCDBVPBCIK-UHFFFAOYSA-N 1 3 348.494 3.638 20 0 EHADHO COCCN(Cc1cc(C(C)C)ccc1OC)CC1CC[NH+](C)CC1 ZINC001196783388 1135609137 /nfs/dbraw/zinc/60/91/37/1135609137.db2.gz ZTXLWMVBRYQPHT-UHFFFAOYSA-N 1 3 348.531 3.609 20 0 EHADHO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001199274991 1135889291 /nfs/dbraw/zinc/88/92/91/1135889291.db2.gz AVOQITYRYJKFBP-VXKWHMMOSA-N 1 3 343.559 3.738 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128889 1135924480 /nfs/dbraw/zinc/92/44/80/1135924480.db2.gz AZCXXHFRDVRUKR-SFHVURJKSA-N 1 3 343.515 3.730 20 0 EHADHO C[C@@H](CC(=O)Nc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001201857270 1136066531 /nfs/dbraw/zinc/06/65/31/1136066531.db2.gz IXRREPHEPLBDTR-KRWDZBQOSA-N 1 3 343.515 3.648 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850557504 1136285201 /nfs/dbraw/zinc/28/52/01/1136285201.db2.gz OLPVOAWYHXRVCW-MRXNPFEDSA-N 1 3 345.314 3.879 20 0 EHADHO CN(Cc1ccc2nc[nH]c2c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137049917 1136367024 /nfs/dbraw/zinc/36/70/24/1136367024.db2.gz HHYQUFDLZGMJMH-UHFFFAOYSA-N 1 3 326.488 3.792 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561427 1136795789 /nfs/dbraw/zinc/79/57/89/1136795789.db2.gz VMZDXCNSWANNSR-IBGZPJMESA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3(C)CCC3)C2)ccn1 ZINC000856561427 1136795791 /nfs/dbraw/zinc/79/57/91/1136795791.db2.gz VMZDXCNSWANNSR-IBGZPJMESA-N 1 3 331.504 3.565 20 0 EHADHO COc1cc([C@@H](C)NCc2ccc(CC[NH3+])cc2)ccc1SC ZINC000817948964 1136850488 /nfs/dbraw/zinc/85/04/88/1136850488.db2.gz MRKFZLJFUVZIOX-CQSZACIVSA-N 1 3 330.497 3.769 20 0 EHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000818942691 1136893541 /nfs/dbraw/zinc/89/35/41/1136893541.db2.gz IFRRQXHOLXECQB-FQEVSTJZSA-N 1 3 344.886 3.759 20 0 EHADHO CN1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000857916378 1136922034 /nfs/dbraw/zinc/92/20/34/1136922034.db2.gz OUCOSWIFYXLQDX-FGTMMUONSA-N 1 3 341.886 3.657 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)ccc1OC ZINC000858592631 1136981341 /nfs/dbraw/zinc/98/13/41/1136981341.db2.gz HHLXUUZRBAYHNB-TXPKVOOTSA-N 1 3 334.504 3.613 20 0 EHADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000845941468 1137321679 /nfs/dbraw/zinc/32/16/79/1137321679.db2.gz FIPLNCSWAOKPBK-ULQDDVLXSA-N 1 3 326.525 3.597 20 0 EHADHO C[C@H](CC(F)(F)F)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624481 1137487869 /nfs/dbraw/zinc/48/78/69/1137487869.db2.gz HJBBQQYASPQFJH-XBVQOTNRSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CC(F)(F)F)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624481 1137487870 /nfs/dbraw/zinc/48/78/70/1137487870.db2.gz HJBBQQYASPQFJH-XBVQOTNRSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624481 1137487871 /nfs/dbraw/zinc/48/78/71/1137487871.db2.gz HJBBQQYASPQFJH-XBVQOTNRSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CC(F)(F)F)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624479 1137488124 /nfs/dbraw/zinc/48/81/24/1137488124.db2.gz HJBBQQYASPQFJH-IWCQGFGOSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CC(F)(F)F)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624479 1137488125 /nfs/dbraw/zinc/48/81/25/1137488125.db2.gz HJBBQQYASPQFJH-IWCQGFGOSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624479 1137488127 /nfs/dbraw/zinc/48/81/27/1137488127.db2.gz HJBBQQYASPQFJH-IWCQGFGOSA-N 1 3 326.406 3.970 20 0 EHADHO Cc1cccnc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681431 1137488664 /nfs/dbraw/zinc/48/86/64/1137488664.db2.gz WZDGVIFKVTUAAU-ACRUOGEOSA-N 1 3 335.495 3.575 20 0 EHADHO COc1cccc2c1SC[C@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171630059 1137499687 /nfs/dbraw/zinc/49/96/87/1137499687.db2.gz GXCKBWVRUSUGNO-OAHLLOKOSA-N 1 3 348.556 3.953 20 0 EHADHO COc1ccc(CCN(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1OC ZINC001171629482 1137499734 /nfs/dbraw/zinc/49/97/34/1137499734.db2.gz STMJQPWSTRSKKE-UHFFFAOYSA-N 1 3 348.531 3.830 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171643471 1137505216 /nfs/dbraw/zinc/50/52/16/1137505216.db2.gz USKCCISEMGXZAY-OAHLLOKOSA-N 1 3 338.536 3.692 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171643471 1137505218 /nfs/dbraw/zinc/50/52/18/1137505218.db2.gz USKCCISEMGXZAY-OAHLLOKOSA-N 1 3 338.536 3.692 20 0 EHADHO CC1(C)C[C@@H]([NH2+]Cc2ccc3nccn3c2)CCN1Cc1ccccc1 ZINC001171975338 1137524594 /nfs/dbraw/zinc/52/45/94/1137524594.db2.gz DPXOZFCBRNTOGT-FQEVSTJZSA-N 1 3 348.494 3.867 20 0 EHADHO COc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974719 1137524693 /nfs/dbraw/zinc/52/46/93/1137524693.db2.gz IVWQOGTVVIOZLL-LJQANCHMSA-N 1 3 339.483 3.623 20 0 EHADHO CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172066566 1137533671 /nfs/dbraw/zinc/53/36/71/1137533671.db2.gz ZUCVNYGFIIINJE-KJJMTIBFSA-N 1 3 341.543 3.644 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125309 1137534958 /nfs/dbraw/zinc/53/49/58/1137534958.db2.gz PGKSAFZHRXWICH-YDZRNGNQSA-N 1 3 334.504 3.931 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125309 1137534959 /nfs/dbraw/zinc/53/49/59/1137534959.db2.gz PGKSAFZHRXWICH-YDZRNGNQSA-N 1 3 334.504 3.931 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(OC(F)(F)F)c1)C2 ZINC001172102759 1137536445 /nfs/dbraw/zinc/53/64/45/1137536445.db2.gz OUENQPVJTNUGDO-QDMKHBRRSA-N 1 3 328.378 3.690 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(OC(F)(F)F)c1)C2 ZINC001172102759 1137536447 /nfs/dbraw/zinc/53/64/47/1137536447.db2.gz OUENQPVJTNUGDO-QDMKHBRRSA-N 1 3 328.378 3.690 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001172102759 1137536449 /nfs/dbraw/zinc/53/64/49/1137536449.db2.gz OUENQPVJTNUGDO-QDMKHBRRSA-N 1 3 328.378 3.690 20 0 EHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172333648 1137551338 /nfs/dbraw/zinc/55/13/38/1137551338.db2.gz KFJQDWAJHIZFMF-DLBZAZTESA-N 1 3 336.495 3.755 20 0 EHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872131012 1137573309 /nfs/dbraw/zinc/57/33/09/1137573309.db2.gz VCCQSXBVYYOUQU-GFCCVEGCSA-N 1 3 327.394 3.625 20 0 EHADHO c1c(CN2CCS[C@@H](c3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000873204455 1137593918 /nfs/dbraw/zinc/59/39/18/1137593918.db2.gz CCWWNJGBLYDPKK-GOSISDBHSA-N 1 3 330.522 3.684 20 0 EHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136987 1137671408 /nfs/dbraw/zinc/67/14/08/1137671408.db2.gz QKTWPBPAVLLDTN-FUHWJXTLSA-N 1 3 349.434 3.561 20 0 EHADHO c1nc(C2CC2)oc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877698331 1137686172 /nfs/dbraw/zinc/68/61/72/1137686172.db2.gz XJFBNXWUXDXYGE-UHFFFAOYSA-N 1 3 339.483 3.944 20 0 EHADHO C[NH+](C)CCC1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877989515 1137698543 /nfs/dbraw/zinc/69/85/43/1137698543.db2.gz WEKRSUYWAXUNSC-KRWDZBQOSA-N 1 3 345.314 3.691 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264614 1137886778 /nfs/dbraw/zinc/88/67/78/1137886778.db2.gz NWABJZKVVRBWJK-GDBMZVCRSA-N 1 3 331.435 3.631 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264614 1137886779 /nfs/dbraw/zinc/88/67/79/1137886779.db2.gz NWABJZKVVRBWJK-GDBMZVCRSA-N 1 3 331.435 3.631 20 0 EHADHO CCc1ccc2c(CN3CCC(CC[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000118868101 1137936034 /nfs/dbraw/zinc/93/60/34/1137936034.db2.gz GQHSFIBYRIMSKW-UHFFFAOYSA-N 1 3 342.483 3.519 20 0 EHADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000886493449 1138083059 /nfs/dbraw/zinc/08/30/59/1138083059.db2.gz MDYJLYSKJARAPT-FQEVSTJZSA-N 1 3 326.488 3.503 20 0 EHADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnn(C)c1 ZINC000886494966 1138083441 /nfs/dbraw/zinc/08/34/41/1138083441.db2.gz BOEMXBNIVNUCLB-NRFANRHFSA-N 1 3 340.515 3.893 20 0 EHADHO Cc1ccncc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886636207 1138104132 /nfs/dbraw/zinc/10/41/32/1138104132.db2.gz HTXFMMGFEJUDJU-NNWRFLSQSA-N 1 3 335.495 3.575 20 0 EHADHO CC(C)[C@@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000091399204 1138219002 /nfs/dbraw/zinc/21/90/02/1138219002.db2.gz ORUXZXGVPVIMHT-QHAWAJNXSA-N 1 3 330.516 3.741 20 0 EHADHO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000125755197 1138315469 /nfs/dbraw/zinc/31/54/69/1138315469.db2.gz HPWBNUVODISDTQ-IRXDYDNUSA-N 1 3 334.504 3.783 20 0 EHADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000125755427 1138315761 /nfs/dbraw/zinc/31/57/61/1138315761.db2.gz HPWBNUVODISDTQ-IAGOWNOFSA-N 1 3 334.504 3.783 20 0 EHADHO c1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133076085 1138618796 /nfs/dbraw/zinc/61/87/96/1138618796.db2.gz LQCSWNLYLWYJAI-LAUBAEHRSA-N 1 3 328.500 3.545 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116452 1139671841 /nfs/dbraw/zinc/67/18/41/1139671841.db2.gz VIRVZZMITLEQJK-VXKWHMMOSA-N 1 3 335.495 3.611 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116452 1139671844 /nfs/dbraw/zinc/67/18/44/1139671844.db2.gz VIRVZZMITLEQJK-VXKWHMMOSA-N 1 3 335.495 3.611 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000182230508 1139959304 /nfs/dbraw/zinc/95/93/04/1139959304.db2.gz UQPSQHKFVVKNMW-DNVCBOLYSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000182230508 1139959309 /nfs/dbraw/zinc/95/93/09/1139959309.db2.gz UQPSQHKFVVKNMW-DNVCBOLYSA-N 1 3 330.497 3.556 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000192766964 1140549477 /nfs/dbraw/zinc/54/94/77/1140549477.db2.gz NZDLITVCVZWIOM-NRFANRHFSA-N 1 3 329.532 3.534 20 0 EHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268742261 1140980496 /nfs/dbraw/zinc/98/04/96/1140980496.db2.gz GMAIVJNXJQIARQ-CYBMUJFWSA-N 1 3 342.405 3.905 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268774531 1140988916 /nfs/dbraw/zinc/98/89/16/1140988916.db2.gz GISHMDZYDCBAHI-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268774531 1140988920 /nfs/dbraw/zinc/98/89/20/1140988920.db2.gz GISHMDZYDCBAHI-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268888946 1141017282 /nfs/dbraw/zinc/01/72/82/1141017282.db2.gz ZLHMWOXBZHQSHP-KGVIQGDOSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268888946 1141017289 /nfs/dbraw/zinc/01/72/89/1141017289.db2.gz ZLHMWOXBZHQSHP-KGVIQGDOSA-N 1 3 338.495 3.740 20 0 EHADHO Fc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc(C(F)(F)F)c1 ZINC000269401646 1141103963 /nfs/dbraw/zinc/10/39/63/1141103963.db2.gz GGMFXPAKJAGEAV-UHFFFAOYSA-N 1 3 330.369 3.951 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OC)cc1 ZINC000271558757 1141396914 /nfs/dbraw/zinc/39/69/14/1141396914.db2.gz WHSGTPMJZQVNJT-ACRUOGEOSA-N 1 3 346.515 3.504 20 0 EHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145313 1141645603 /nfs/dbraw/zinc/64/56/03/1141645603.db2.gz SDPHJOSWAVKNNY-XLIONFOSSA-N 1 3 343.515 3.731 20 0 EHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000349145313 1141645604 /nfs/dbraw/zinc/64/56/04/1141645604.db2.gz SDPHJOSWAVKNNY-XLIONFOSSA-N 1 3 343.515 3.731 20 0 EHADHO c1nc2cc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284367 1032061381 /nfs/dbraw/zinc/06/13/81/1032061381.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 1 3 346.478 3.517 20 0 EHADHO c1nc2cc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000584284367 1032061397 /nfs/dbraw/zinc/06/13/97/1032061397.db2.gz IISGKBZWLXRPTL-PMACEKPBSA-N 1 3 346.478 3.517 20 0 EHADHO Cc1cc(Cl)ccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477652 1032073209 /nfs/dbraw/zinc/07/32/09/1032073209.db2.gz ZBPSBYFOGBMIPR-ICSRJNTNSA-N 1 3 342.870 3.994 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2cnccc21 ZINC000904476609 1032074188 /nfs/dbraw/zinc/07/41/88/1032074188.db2.gz UYYKALRFEVRILH-RBBKRZOGSA-N 1 3 345.446 3.580 20 0 EHADHO CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429087 1014412130 /nfs/dbraw/zinc/41/21/30/1014412130.db2.gz VQLRITJTRXRETA-QGZVFWFLSA-N 1 3 342.405 3.545 20 0 EHADHO CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OCC(F)(F)F)C2)C1 ZINC000339429087 1014412138 /nfs/dbraw/zinc/41/21/38/1014412138.db2.gz VQLRITJTRXRETA-QGZVFWFLSA-N 1 3 342.405 3.545 20 0 EHADHO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430149340 1014422452 /nfs/dbraw/zinc/42/24/52/1014422452.db2.gz NBFXEDOQOAZJCK-JOCHJYFZSA-N 1 3 336.479 3.890 20 0 EHADHO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430149340 1014422456 /nfs/dbraw/zinc/42/24/56/1014422456.db2.gz NBFXEDOQOAZJCK-JOCHJYFZSA-N 1 3 336.479 3.890 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000375595796 1015175174 /nfs/dbraw/zinc/17/51/74/1015175174.db2.gz GDLCIBJDYAMKGP-LEQVUBRHSA-N 1 3 341.543 3.580 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000375595796 1015175176 /nfs/dbraw/zinc/17/51/76/1015175176.db2.gz GDLCIBJDYAMKGP-LEQVUBRHSA-N 1 3 341.543 3.580 20 0 EHADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000178078491 1016517355 /nfs/dbraw/zinc/51/73/55/1016517355.db2.gz AAEBSVMFULMGRK-MIJOPJBOSA-N 1 3 338.499 3.575 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449072684 1032159803 /nfs/dbraw/zinc/15/98/03/1032159803.db2.gz GFZQRYKLZCAQCZ-QWHCGFSZSA-N 1 3 343.298 3.835 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000449072684 1032159806 /nfs/dbraw/zinc/15/98/06/1032159806.db2.gz GFZQRYKLZCAQCZ-QWHCGFSZSA-N 1 3 343.298 3.835 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637585 1032193830 /nfs/dbraw/zinc/19/38/30/1032193830.db2.gz SNPGOZXXELOJMX-GCJKJVERSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637585 1032193836 /nfs/dbraw/zinc/19/38/36/1032193836.db2.gz SNPGOZXXELOJMX-GCJKJVERSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637584 1032194362 /nfs/dbraw/zinc/19/43/62/1032194362.db2.gz SNPGOZXXELOJMX-AVRDEDQJSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637584 1032194374 /nfs/dbraw/zinc/19/43/74/1032194374.db2.gz SNPGOZXXELOJMX-AVRDEDQJSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637586 1032194490 /nfs/dbraw/zinc/19/44/90/1032194490.db2.gz SNPGOZXXELOJMX-PGRDOPGGSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379637586 1032194504 /nfs/dbraw/zinc/19/45/04/1032194504.db2.gz SNPGOZXXELOJMX-PGRDOPGGSA-N 1 3 338.495 3.976 20 0 EHADHO C[C@@H]1CSC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449124497 1032218358 /nfs/dbraw/zinc/21/83/58/1032218358.db2.gz GOZKAUIDGPQDEQ-KDOFPFPSSA-N 1 3 338.948 3.893 20 0 EHADHO Cc1cccc([C@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000905123462 1032353157 /nfs/dbraw/zinc/35/31/57/1032353157.db2.gz YPMVJSLUGVSOQL-XMSQKQJNSA-N 1 3 338.495 3.844 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)c3ccccn3)CC2)C1 ZINC000449394572 1032501640 /nfs/dbraw/zinc/50/16/40/1032501640.db2.gz GQFJUKYQMMFLPZ-MJGOQNOKSA-N 1 3 329.532 3.992 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)c2ccccn2)CC1 ZINC000449398765 1032521354 /nfs/dbraw/zinc/52/13/54/1032521354.db2.gz WNQKWBBWGLTTBI-PKOBYXMFSA-N 1 3 329.532 3.992 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000090524627 1032583482 /nfs/dbraw/zinc/58/34/82/1032583482.db2.gz MNVYQZUFJKXKNF-IPELMVKDSA-N 1 3 342.483 3.851 20 0 EHADHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000090525396 1032583783 /nfs/dbraw/zinc/58/37/83/1032583783.db2.gz KWTWPBAMFPKTGQ-QRVBRYPASA-N 1 3 346.515 3.651 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123241 1017103483 /nfs/dbraw/zinc/10/34/83/1017103483.db2.gz IJGWCANKZXAZJZ-ZBFHGGJFSA-N 1 3 328.422 3.958 20 0 EHADHO COc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414656016 1017119878 /nfs/dbraw/zinc/11/98/78/1017119878.db2.gz FBCVGQSUNHKHOI-HZPDHXFCSA-N 1 3 340.467 3.540 20 0 EHADHO CCc1c2ccccc2oc1[C@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655705220 1017422018 /nfs/dbraw/zinc/42/20/18/1017422018.db2.gz ZZMBUVPDVCTPQX-DOTOQJQBSA-N 1 3 342.483 3.899 20 0 EHADHO Cc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1Oc1cccnc1 ZINC000415049544 1017459649 /nfs/dbraw/zinc/45/96/49/1017459649.db2.gz BAAOMPBPOKOZAH-OXQOHEQNSA-N 1 3 325.456 3.599 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000415061594 1017490626 /nfs/dbraw/zinc/49/06/26/1017490626.db2.gz YTCIXPSNLJXJEW-HXUWFJFHSA-N 1 3 338.430 3.581 20 0 EHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415080449 1017519599 /nfs/dbraw/zinc/51/95/99/1017519599.db2.gz JJNBEAWBVWSWOU-YRGRVCCFSA-N 1 3 343.284 3.639 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@@H](C)C[C@H]3CCC[NH2+]3)s2)cs1 ZINC000415088761 1017527571 /nfs/dbraw/zinc/52/75/71/1017527571.db2.gz MLFYIDDTXAGWHG-GXTWGEPZSA-N 1 3 335.542 3.843 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415128186 1017591361 /nfs/dbraw/zinc/59/13/61/1017591361.db2.gz RUSRKYHYXJVCEG-FPOVZHCZSA-N 1 3 346.515 3.584 20 0 EHADHO c1cc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543297 1032734586 /nfs/dbraw/zinc/73/45/86/1032734586.db2.gz SJSIWVLEZDVUOS-CTNGQTDRSA-N 1 3 343.515 3.688 20 0 EHADHO c1cc([C@@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543297 1032734601 /nfs/dbraw/zinc/73/46/01/1032734601.db2.gz SJSIWVLEZDVUOS-CTNGQTDRSA-N 1 3 343.515 3.688 20 0 EHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCc4cc(O)ccc4C3)CC2)C1 ZINC000683722525 1018170804 /nfs/dbraw/zinc/17/08/04/1018170804.db2.gz GIQYSYKHTJGLNO-TYCQWZJGSA-N 1 3 342.527 3.882 20 0 EHADHO Cc1cncc([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000343851141 1018573881 /nfs/dbraw/zinc/57/38/81/1018573881.db2.gz HPIJIUVYXZRNAH-SFHVURJKSA-N 1 3 339.483 3.715 20 0 EHADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000261755422 1018926683 /nfs/dbraw/zinc/92/66/83/1018926683.db2.gz CLRXNFVITCTYEQ-OAHLLOKOSA-N 1 3 345.284 3.897 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398014175 1018951560 /nfs/dbraw/zinc/95/15/60/1018951560.db2.gz FJVFTCNDHTVAQQ-XMSQKQJNSA-N 1 3 333.479 3.867 20 0 EHADHO Cc1cc(C#N)ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398014175 1018951571 /nfs/dbraw/zinc/95/15/71/1018951571.db2.gz FJVFTCNDHTVAQQ-XMSQKQJNSA-N 1 3 333.479 3.867 20 0 EHADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000513544006 1019811001 /nfs/dbraw/zinc/81/10/01/1019811001.db2.gz BUCPAOFQPUQEAN-FXFXYLOPSA-N 1 3 348.918 3.834 20 0 EHADHO c1ccc(CN2CC[C@H]([NH2+]CCN3CCCCCC3)CC23CC3)cc1 ZINC000581190134 1020510299 /nfs/dbraw/zinc/51/02/99/1020510299.db2.gz JKBGYNGWWIPCLM-NRFANRHFSA-N 1 3 341.543 3.649 20 0 EHADHO CC(C)N1CCN(CCC[NH+](CC(C)(C)C)CC(C)(C)C)CC1 ZINC000500995853 1020648469 /nfs/dbraw/zinc/64/84/69/1020648469.db2.gz WJTPZYKEUQBIGU-UHFFFAOYSA-N 1 3 325.585 3.797 20 0 EHADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000501075241 1020696066 /nfs/dbraw/zinc/69/60/66/1020696066.db2.gz BFAORRDXVMADCI-UHFFFAOYSA-N 1 3 331.548 3.561 20 0 EHADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000501075241 1020696068 /nfs/dbraw/zinc/69/60/68/1020696068.db2.gz BFAORRDXVMADCI-UHFFFAOYSA-N 1 3 331.548 3.561 20 0 EHADHO Brc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785517 1021336335 /nfs/dbraw/zinc/33/63/35/1021336335.db2.gz LGESRJJCMAASAQ-ZDUSSCGKSA-N 1 3 343.334 3.722 20 0 EHADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1SC ZINC000656786745 1021350115 /nfs/dbraw/zinc/35/01/15/1021350115.db2.gz XCYRPFRHEUKWDF-KRWDZBQOSA-N 1 3 334.529 3.629 20 0 EHADHO c1ccc(OCC[NH2+]C2CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000427392739 1021367307 /nfs/dbraw/zinc/36/73/07/1021367307.db2.gz VNBYHGMAGVVJDP-UHFFFAOYSA-N 1 3 347.462 3.872 20 0 EHADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542707 1021665690 /nfs/dbraw/zinc/66/56/90/1021665690.db2.gz CYCWXDNKYMIYDF-ZIAGYGMSSA-N 1 3 330.394 3.534 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000519795905 1021680656 /nfs/dbraw/zinc/68/06/56/1021680656.db2.gz YSBBSECTZYBQQZ-LTBFUDJGSA-N 1 3 336.426 3.765 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000519795905 1021680665 /nfs/dbraw/zinc/68/06/65/1021680665.db2.gz YSBBSECTZYBQQZ-LTBFUDJGSA-N 1 3 336.426 3.765 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000519795905 1021680670 /nfs/dbraw/zinc/68/06/70/1021680670.db2.gz YSBBSECTZYBQQZ-LTBFUDJGSA-N 1 3 336.426 3.765 20 0 EHADHO N[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)c2ccccc21 ZINC000226358351 1033009922 /nfs/dbraw/zinc/00/99/22/1033009922.db2.gz BUDSXHJXZUBIHP-UONOGXRCSA-N 1 3 337.286 3.788 20 0 EHADHO CCC[NH+]1CCC(N(C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000437572131 1021960223 /nfs/dbraw/zinc/96/02/23/1021960223.db2.gz WRKGHMJQIHBJMD-UHFFFAOYSA-N 1 3 344.421 3.934 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000519381524 1022055575 /nfs/dbraw/zinc/05/55/75/1022055575.db2.gz SIPNKJRXJYABFO-SNRMKQJTSA-N 1 3 335.923 3.584 20 0 EHADHO FC(F)(F)[C@H](C[NH2+]C1CCN(CC2CC2)CC1)Cc1ccccc1 ZINC000517205831 1022133461 /nfs/dbraw/zinc/13/34/61/1022133461.db2.gz NWTQUEZSUZGURM-KRWDZBQOSA-N 1 3 340.433 3.872 20 0 EHADHO [NH3+]CCC[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000415054461 1022172452 /nfs/dbraw/zinc/17/24/52/1022172452.db2.gz NMRLBHFKFKFWIJ-SFHVURJKSA-N 1 3 330.859 3.845 20 0 EHADHO CC(C)(O)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000187498788 1022184846 /nfs/dbraw/zinc/18/48/46/1022184846.db2.gz WSRRTFQMKILHAF-UHFFFAOYSA-N 1 3 338.495 3.668 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCSC4)[C@H]3C2)cc1 ZINC000425922344 1022208860 /nfs/dbraw/zinc/20/88/60/1022208860.db2.gz JYAWQOGCMLLLEZ-MUGJNUQGSA-N 1 3 330.541 3.772 20 0 EHADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)s2)cc1 ZINC000425936114 1022275889 /nfs/dbraw/zinc/27/58/89/1022275889.db2.gz HEFXSXKVABBOQH-ZIAGYGMSSA-N 1 3 347.528 3.975 20 0 EHADHO Cc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167975392 1022612864 /nfs/dbraw/zinc/61/28/64/1022612864.db2.gz OGPQZOKAXXLXCQ-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO Cc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167975392 1022612871 /nfs/dbraw/zinc/61/28/71/1022612871.db2.gz OGPQZOKAXXLXCQ-YQQQUEKLSA-N 1 3 327.516 3.663 20 0 EHADHO C[C@@H]1CN(CCCCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430956676 1022957139 /nfs/dbraw/zinc/95/71/39/1022957139.db2.gz PNYVVYFEVCIYEX-UKRRQHHQSA-N 1 3 330.394 3.534 20 0 EHADHO CCCCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000506942330 1023016726 /nfs/dbraw/zinc/01/67/26/1023016726.db2.gz HOVPJRRPWYNDGS-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CCn1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000892007406 1024326978 /nfs/dbraw/zinc/32/69/78/1024326978.db2.gz IFAZWUJGSGWYQL-UTKZUKDTSA-N 1 3 340.515 3.696 20 0 EHADHO CCn1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000892007406 1024326999 /nfs/dbraw/zinc/32/69/99/1024326999.db2.gz IFAZWUJGSGWYQL-UTKZUKDTSA-N 1 3 340.515 3.696 20 0 EHADHO COc1cncc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168024700 1024353838 /nfs/dbraw/zinc/35/38/38/1024353838.db2.gz HNQAEJBDCSFYCC-IRXDYDNUSA-N 1 3 339.483 3.621 20 0 EHADHO Cc1ccc2[nH]c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)cc2c1C ZINC000472034271 1024418633 /nfs/dbraw/zinc/41/86/33/1024418633.db2.gz CZSJYBNIAIYASZ-IRXDYDNUSA-N 1 3 343.515 3.764 20 0 EHADHO CC(C)Cc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000895113597 1024525584 /nfs/dbraw/zinc/52/55/84/1024525584.db2.gz BCIORKFBSQOUNX-IRLDBZIGSA-N 1 3 337.511 3.715 20 0 EHADHO CO[C@H]1C[C@H](C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000895540093 1024600811 /nfs/dbraw/zinc/60/08/11/1024600811.db2.gz RUPFDVPFMGAWTA-KCZVDYSFSA-N 1 3 344.543 3.939 20 0 EHADHO COc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375033 1024842534 /nfs/dbraw/zinc/84/25/34/1024842534.db2.gz ZAOPUYIVLHZLDS-WBVHZDCISA-N 1 3 340.467 3.540 20 0 EHADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657308634 1024918407 /nfs/dbraw/zinc/91/84/07/1024918407.db2.gz WDADNBJGBBAZLT-UHFFFAOYSA-N 1 3 343.540 3.532 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168036943 1025133186 /nfs/dbraw/zinc/13/31/86/1025133186.db2.gz WGBAHVSJWIXSGN-YHELAOLJSA-N 1 3 341.543 3.644 20 0 EHADHO C[NH+]1CCC(C)(CN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346827314 1025212487 /nfs/dbraw/zinc/21/24/87/1025212487.db2.gz IXPZCGCFNZCTJJ-LJQANCHMSA-N 1 3 327.447 3.632 20 0 EHADHO CC(C)=CCC[C@H](C)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000192623535 1025281852 /nfs/dbraw/zinc/28/18/52/1025281852.db2.gz VRSKUDALRMFIBQ-SFTDATJTSA-N 1 3 335.580 3.861 20 0 EHADHO CC(C)=CCC[C@H](C)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000192623535 1025281862 /nfs/dbraw/zinc/28/18/62/1025281862.db2.gz VRSKUDALRMFIBQ-SFTDATJTSA-N 1 3 335.580 3.861 20 0 EHADHO C[C@H]1CC(N2CCN(C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040978 1025342527 /nfs/dbraw/zinc/34/25/27/1025342527.db2.gz PQESUGKGDMMEHG-OALUTQOASA-N 1 3 341.543 3.598 20 0 EHADHO Clc1ccc2cccnc2c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347034011 1025440039 /nfs/dbraw/zinc/44/00/39/1025440039.db2.gz CDWFOVRVBOAOCR-GOSISDBHSA-N 1 3 329.875 3.852 20 0 EHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442779245 1025473853 /nfs/dbraw/zinc/47/38/53/1025473853.db2.gz LORYWUVHCXCCRQ-ZACQAIPSSA-N 1 3 337.467 3.669 20 0 EHADHO Cc1ccccc1[C@H]([C@H](C)NC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000443204905 1025810629 /nfs/dbraw/zinc/81/06/29/1025810629.db2.gz QVOYPRRBZOBAGK-PXNSSMCTSA-N 1 3 331.548 3.839 20 0 EHADHO C[N@@H+]1C[C@@H](CNCc2cccc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647248570 1025911391 /nfs/dbraw/zinc/91/13/91/1025911391.db2.gz JQNWNNQXZWWCKZ-RTWAWAEBSA-N 1 3 331.463 3.670 20 0 EHADHO C[N@H+]1C[C@@H](CNCc2cccc3cccnc32)[C@H](c2ccccc2)C1 ZINC000647248570 1025911405 /nfs/dbraw/zinc/91/14/05/1025911405.db2.gz JQNWNNQXZWWCKZ-RTWAWAEBSA-N 1 3 331.463 3.670 20 0 EHADHO COCc1cccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000158525854 1026086961 /nfs/dbraw/zinc/08/69/61/1026086961.db2.gz SJVCWHIBZGPESD-QGZVFWFLSA-N 1 3 342.483 3.624 20 0 EHADHO COCC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000451695602 1026215331 /nfs/dbraw/zinc/21/53/31/1026215331.db2.gz QNFBJJYXPSBFFJ-IAGOWNOFSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H]1C[C@@H](N(C)CCc2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058085 1026318901 /nfs/dbraw/zinc/31/89/01/1026318901.db2.gz AVMPKTMNMCOAFL-HATOLVCRSA-N 1 3 337.511 3.998 20 0 EHADHO C[C@@H]1C[C@@H](N(C)CCc2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058085 1026318914 /nfs/dbraw/zinc/31/89/14/1026318914.db2.gz AVMPKTMNMCOAFL-HATOLVCRSA-N 1 3 337.511 3.998 20 0 EHADHO CCN(CCn1cccn1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168059792 1026401503 /nfs/dbraw/zinc/40/15/03/1026401503.db2.gz HFNUIMFKWLORHL-RTBURBONSA-N 1 3 340.515 3.647 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000453096823 1027360533 /nfs/dbraw/zinc/36/05/33/1027360533.db2.gz ILBQNNRTSSTSCF-MRXNPFEDSA-N 1 3 344.524 3.864 20 0 EHADHO C[C@@H]1CC[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2sccc21 ZINC000453175886 1027455407 /nfs/dbraw/zinc/45/54/07/1027455407.db2.gz MIJSPAVVXNOPOX-RHSMWYFYSA-N 1 3 345.512 3.812 20 0 EHADHO Clc1cccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325138 1027479597 /nfs/dbraw/zinc/47/95/97/1027479597.db2.gz IGMPXLSFCHUUAS-HZPDHXFCSA-N 1 3 345.874 3.817 20 0 EHADHO Cc1cncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453172610 1027489674 /nfs/dbraw/zinc/48/96/74/1027489674.db2.gz HYRZOKCJJIBHRE-VSKRKVRLSA-N 1 3 335.495 3.923 20 0 EHADHO Fc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(F)c1F ZINC000657612989 1027632402 /nfs/dbraw/zinc/63/24/02/1027632402.db2.gz SRGGNHBKWZDYFD-UHFFFAOYSA-N 1 3 349.400 3.501 20 0 EHADHO CC1(C)[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1OCc1ccccc1 ZINC000475567976 1027645271 /nfs/dbraw/zinc/64/52/71/1027645271.db2.gz FEZPVIZHKFWSKM-JSRAGOMMSA-N 1 3 342.527 3.977 20 0 EHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701253 1027861678 /nfs/dbraw/zinc/86/16/78/1027861678.db2.gz IDQIVKFBYIBGST-XJKSGUPXSA-N 1 3 326.406 3.844 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422717942 1027888706 /nfs/dbraw/zinc/88/87/06/1027888706.db2.gz KXBWLOXXOMIXRM-IXDOHACOSA-N 1 3 343.437 3.558 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422739664 1027904356 /nfs/dbraw/zinc/90/43/56/1027904356.db2.gz LUMFQXQXBIHLGA-BBRMVZONSA-N 1 3 337.305 3.588 20 0 EHADHO c1ccc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422803573 1027953260 /nfs/dbraw/zinc/95/32/60/1027953260.db2.gz JFVAEJJZGWFTFG-HJNYFJLDSA-N 1 3 334.463 3.983 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839551 1027981703 /nfs/dbraw/zinc/98/17/03/1027981703.db2.gz QNNVIMFHEBFJIQ-BDAKNGLRSA-N 1 3 325.667 3.741 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2cccnc21 ZINC000422791473 1027966129 /nfs/dbraw/zinc/96/61/29/1027966129.db2.gz YPFXHOUDIVFOAL-KNQAVFIVSA-N 1 3 345.446 3.580 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000422833393 1027974058 /nfs/dbraw/zinc/97/40/58/1027974058.db2.gz GRMGZXFBROIWBM-KYNGSXCRSA-N 1 3 327.859 3.653 20 0 EHADHO COc1cccc([C@H](N[C@@H](C)CCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422834524 1027974701 /nfs/dbraw/zinc/97/47/01/1027974701.db2.gz ZSWKTGLYFGXGPK-XOBRGWDASA-N 1 3 346.446 3.649 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cnccc1N ZINC000422852756 1027991339 /nfs/dbraw/zinc/99/13/39/1027991339.db2.gz BGAZLVDGNKPRDQ-IAGOWNOFSA-N 1 3 338.499 3.577 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cnccc1N ZINC000422852756 1027991357 /nfs/dbraw/zinc/99/13/57/1027991357.db2.gz BGAZLVDGNKPRDQ-IAGOWNOFSA-N 1 3 338.499 3.577 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C(C)C)[C@H](C)c2ccsc2)CC1 ZINC000421019583 1028010069 /nfs/dbraw/zinc/01/00/69/1028010069.db2.gz YHYJXCJNRKQWOR-GOSISDBHSA-N 1 3 337.577 3.936 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C(C)C)[C@H](C)c2ccsc2)CC1 ZINC000421019583 1028010085 /nfs/dbraw/zinc/01/00/85/1028010085.db2.gz YHYJXCJNRKQWOR-GOSISDBHSA-N 1 3 337.577 3.936 20 0 EHADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)n1 ZINC000422869544 1028027781 /nfs/dbraw/zinc/02/77/81/1028027781.db2.gz XKGJJIDYHGXBIG-FCHUYYIVSA-N 1 3 346.478 3.766 20 0 EHADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422939804 1028067461 /nfs/dbraw/zinc/06/74/61/1028067461.db2.gz RVHHRWZJGRWLBH-ONTIZHBOSA-N 1 3 334.463 3.828 20 0 EHADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423038827 1028143141 /nfs/dbraw/zinc/14/31/41/1028143141.db2.gz PFYKOCAIYDFWQV-UHYGZKCKSA-N 1 3 347.890 3.929 20 0 EHADHO COCCC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc(Cl)cc1 ZINC000423097332 1028178952 /nfs/dbraw/zinc/17/89/52/1028178952.db2.gz ANGSCPXXIAQWIP-SCTDSRPQSA-N 1 3 338.923 3.957 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000246298250 1028179240 /nfs/dbraw/zinc/17/92/40/1028179240.db2.gz CWROBDVIWZEKMY-GBESFXJTSA-N 1 3 346.540 3.581 20 0 EHADHO COCCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(Cl)cc1 ZINC000423097336 1028180465 /nfs/dbraw/zinc/18/04/65/1028180465.db2.gz ANGSCPXXIAQWIP-ZHALLVOQSA-N 1 3 338.923 3.957 20 0 EHADHO C[C@H](Cc1ccccc1)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414717988 1028193413 /nfs/dbraw/zinc/19/34/13/1028193413.db2.gz QMJHBNSSSLDKEA-KNQAVFIVSA-N 1 3 337.511 3.905 20 0 EHADHO CCN(Cc1ccc(Br)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414720213 1028213309 /nfs/dbraw/zinc/21/33/09/1028213309.db2.gz XPJSHTRNVHSHEA-MRXNPFEDSA-N 1 3 325.294 3.722 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423140877 1028227001 /nfs/dbraw/zinc/22/70/01/1028227001.db2.gz NGRHKISSHRCKGL-MWQQHZPXSA-N 1 3 337.305 3.945 20 0 EHADHO CC[C@@H]1C[C@@]1([NH2+]CCCN1CCN(C(C)C)CC1)c1cccc(C)c1 ZINC000502507867 1028271302 /nfs/dbraw/zinc/27/13/02/1028271302.db2.gz HKIYZAPWZUOOOR-IRLDBZIGSA-N 1 3 343.559 3.626 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000423292131 1028329740 /nfs/dbraw/zinc/32/97/40/1028329740.db2.gz LNGGFXTULDEAME-HZPDHXFCSA-N 1 3 337.467 3.684 20 0 EHADHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@H](C)CN)nc1 ZINC000423309196 1028343150 /nfs/dbraw/zinc/34/31/50/1028343150.db2.gz PRXQPSIISCFLRO-FOIQADDNSA-N 1 3 345.918 3.636 20 0 EHADHO NC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423520584 1028495735 /nfs/dbraw/zinc/49/57/35/1028495735.db2.gz FEEPJWKAWMXJJT-ZSROQAFGSA-N 1 3 330.438 3.851 20 0 EHADHO NC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423520582 1028496041 /nfs/dbraw/zinc/49/60/41/1028496041.db2.gz FEEPJWKAWMXJJT-MDYUNMRDSA-N 1 3 330.438 3.851 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423526360 1028499000 /nfs/dbraw/zinc/49/90/00/1028499000.db2.gz LHKUTBSIKDZWBZ-VBROFTNBSA-N 1 3 342.527 3.930 20 0 EHADHO CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647777 1028529872 /nfs/dbraw/zinc/52/98/72/1028529872.db2.gz OWZCLXRIOIPMCW-QHAWAJNXSA-N 1 3 342.527 3.788 20 0 EHADHO CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647777 1028529888 /nfs/dbraw/zinc/52/98/88/1028529888.db2.gz OWZCLXRIOIPMCW-QHAWAJNXSA-N 1 3 342.527 3.788 20 0 EHADHO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000247192419 1028756702 /nfs/dbraw/zinc/75/67/02/1028756702.db2.gz QKJFKYXAYGMUGH-FGTMMUONSA-N 1 3 343.515 3.525 20 0 EHADHO C[NH+](C)C1CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000421866497 1028862146 /nfs/dbraw/zinc/86/21/46/1028862146.db2.gz AMIHEZYZGKCCPE-QLOJAFMTSA-N 1 3 327.447 3.773 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000162549669 1028974376 /nfs/dbraw/zinc/97/43/76/1028974376.db2.gz FMEXFJDBIWZLQZ-IBGZPJMESA-N 1 3 342.508 3.954 20 0 EHADHO CC(C)N(Cc1cccc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435794 1029007846 /nfs/dbraw/zinc/00/78/46/1029007846.db2.gz BAERTVXETFKDIW-HNNXBMFYSA-N 1 3 325.294 3.659 20 0 EHADHO Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000272310097 1029408445 /nfs/dbraw/zinc/40/84/45/1029408445.db2.gz IRORECDHPHJPQW-GQIGUUNPSA-N 1 3 338.499 3.655 20 0 EHADHO CC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155108242 1029425612 /nfs/dbraw/zinc/42/56/12/1029425612.db2.gz DSPWVEUVVKAJLC-VQIMIIECSA-N 1 3 327.472 3.512 20 0 EHADHO CC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155108242 1029425620 /nfs/dbraw/zinc/42/56/20/1029425620.db2.gz DSPWVEUVVKAJLC-VQIMIIECSA-N 1 3 327.472 3.512 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851022 1029560588 /nfs/dbraw/zinc/56/05/88/1029560588.db2.gz OIMQSXODAWWEJL-APWZRJJASA-N 1 3 331.504 3.518 20 0 EHADHO CC[C@]1(CO)CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000428445638 1029667222 /nfs/dbraw/zinc/66/72/22/1029667222.db2.gz HDDGPRBTLHPHJZ-NRFANRHFSA-N 1 3 332.532 3.629 20 0 EHADHO CC[C@]1(CO)CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000428445638 1029667224 /nfs/dbraw/zinc/66/72/24/1029667224.db2.gz HDDGPRBTLHPHJZ-NRFANRHFSA-N 1 3 332.532 3.629 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739768 1029715314 /nfs/dbraw/zinc/71/53/14/1029715314.db2.gz ACIQNZGVPWOMGA-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739768 1029715323 /nfs/dbraw/zinc/71/53/23/1029715323.db2.gz ACIQNZGVPWOMGA-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739768 1029715330 /nfs/dbraw/zinc/71/53/30/1029715330.db2.gz ACIQNZGVPWOMGA-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccco1 ZINC000156082828 1029743702 /nfs/dbraw/zinc/74/37/02/1029743702.db2.gz IBPPMLXYDCFTCI-SFHVURJKSA-N 1 3 327.472 3.533 20 0 EHADHO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508713036 1029787574 /nfs/dbraw/zinc/78/75/74/1029787574.db2.gz FEIMQWHOPKXXGN-UHOSZYNNSA-N 1 3 344.524 3.590 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338221 1029814728 /nfs/dbraw/zinc/81/47/28/1029814728.db2.gz ORJMJZTUWIGRGI-GCJKJVERSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338221 1029814738 /nfs/dbraw/zinc/81/47/38/1029814738.db2.gz ORJMJZTUWIGRGI-GCJKJVERSA-N 1 3 338.495 3.976 20 0 EHADHO CC[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000453217147 1029926274 /nfs/dbraw/zinc/92/62/74/1029926274.db2.gz TXWZLDGMVRZTAH-OAQYLSRUSA-N 1 3 339.483 3.796 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000583527243 1030037603 /nfs/dbraw/zinc/03/76/03/1030037603.db2.gz SKHUMHHKYFZKGT-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000583527243 1030037616 /nfs/dbraw/zinc/03/76/16/1030037616.db2.gz SKHUMHHKYFZKGT-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO C[C@H]1CCCN(Cc2ccc(OCc3ccncc3)cc2)[C@@H]1CC[NH3+] ZINC000650711384 1030062093 /nfs/dbraw/zinc/06/20/93/1030062093.db2.gz RVCNTIYXWBOYMU-LAUBAEHRSA-N 1 3 339.483 3.610 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000453378125 1030200443 /nfs/dbraw/zinc/20/04/43/1030200443.db2.gz VMLPREFIRFEEDN-IRXDYDNUSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453378125 1030200454 /nfs/dbraw/zinc/20/04/54/1030200454.db2.gz VMLPREFIRFEEDN-IRXDYDNUSA-N 1 3 334.454 3.846 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCOCC2CCCC2)C3)cc1 ZINC000453398024 1030206789 /nfs/dbraw/zinc/20/67/89/1030206789.db2.gz MIVGVZGKHXAEAK-KOUNCHBCSA-N 1 3 342.527 3.978 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCOCC2CCCC2)C3)cc1 ZINC000453398024 1030206801 /nfs/dbraw/zinc/20/68/01/1030206801.db2.gz MIVGVZGKHXAEAK-KOUNCHBCSA-N 1 3 342.527 3.978 20 0 EHADHO CCCCN1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000122971160 1030821067 /nfs/dbraw/zinc/82/10/67/1030821067.db2.gz FSVJSJVUXSAZCC-NRFANRHFSA-N 1 3 329.532 3.505 20 0 EHADHO CCc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000537660382 1030914256 /nfs/dbraw/zinc/91/42/56/1030914256.db2.gz BWBSOTPMGMVFCI-IRXDYDNUSA-N 1 3 334.504 3.553 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000537660382 1030914269 /nfs/dbraw/zinc/91/42/69/1030914269.db2.gz BWBSOTPMGMVFCI-IRXDYDNUSA-N 1 3 334.504 3.553 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527639558 1031066451 /nfs/dbraw/zinc/06/64/51/1031066451.db2.gz GRXYYMJOGDRGDH-VXKWHMMOSA-N 1 3 343.559 3.720 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cccc3nccn32)CC1)CC(C)C ZINC000583899274 1031075260 /nfs/dbraw/zinc/07/52/60/1031075260.db2.gz ILCWVNZUSPKFQX-UHFFFAOYSA-N 1 3 342.531 3.914 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cccc3nccn32)CC1)CC(C)C ZINC000583899274 1031075279 /nfs/dbraw/zinc/07/52/79/1031075279.db2.gz ILCWVNZUSPKFQX-UHFFFAOYSA-N 1 3 342.531 3.914 20 0 EHADHO C[C@@H](CC1CC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551259738 1031165934 /nfs/dbraw/zinc/16/59/34/1031165934.db2.gz QIFSRACJYAQRQC-RXVVDRJESA-N 1 3 342.527 3.693 20 0 EHADHO Brc1ccsc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813691 1031310461 /nfs/dbraw/zinc/31/04/61/1031310461.db2.gz XYKPWHJKJCVBPL-UHFFFAOYSA-N 1 3 343.334 3.722 20 0 EHADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527859336 1031334753 /nfs/dbraw/zinc/33/47/53/1031334753.db2.gz PVPNVQZBFWAOGH-QGZVFWFLSA-N 1 3 340.515 3.860 20 0 EHADHO Cc1nn(C(C)C)cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000343548996 1031352922 /nfs/dbraw/zinc/35/29/22/1031352922.db2.gz KVCGQXAQYDMRGL-UHFFFAOYSA-N 1 3 332.536 3.860 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000484491141 1031613936 /nfs/dbraw/zinc/61/39/36/1031613936.db2.gz RHESYJXHVZDALA-UXLLHSPISA-N 1 3 337.305 3.899 20 0 EHADHO COc1cc([C@@H](C)[NH2+]CCCN2CCCCC2)ccc1OC(F)F ZINC000178409636 1031696427 /nfs/dbraw/zinc/69/64/27/1031696427.db2.gz XWBCRICXIAEBSG-CQSZACIVSA-N 1 3 342.430 3.823 20 0 EHADHO C[NH+](C)CCOc1cc(CN[C@H](CC2CC2)c2ccccc2)ccn1 ZINC000537944913 1032031241 /nfs/dbraw/zinc/03/12/41/1032031241.db2.gz SJTCFSQNSCCKCE-HXUWFJFHSA-N 1 3 339.483 3.653 20 0 EHADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000595011061 1033607901 /nfs/dbraw/zinc/60/79/01/1033607901.db2.gz GTBGJQMEJSAUGI-INIZCTEOSA-N 1 3 338.536 3.741 20 0 EHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017769 1033843486 /nfs/dbraw/zinc/84/34/86/1033843486.db2.gz BBHGXCPZBGMUGB-UXHICEINSA-N 1 3 328.500 3.590 20 0 EHADHO Cc1nc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)s1 ZINC000658166804 1034033117 /nfs/dbraw/zinc/03/31/17/1034033117.db2.gz PGLCNTDPQRBBDQ-CQSZACIVSA-N 1 3 344.528 3.718 20 0 EHADHO Cc1nc([C@@H](C)NCC2CC[NH+](Cc3ccncc3)CC2)c(C)s1 ZINC000658166804 1034033128 /nfs/dbraw/zinc/03/31/28/1034033128.db2.gz PGLCNTDPQRBBDQ-CQSZACIVSA-N 1 3 344.528 3.718 20 0 EHADHO CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000643493870 1034120543 /nfs/dbraw/zinc/12/05/43/1034120543.db2.gz XPRZLXZXOHCPBA-JKSUJKDBSA-N 1 3 341.499 3.777 20 0 EHADHO CC(C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N1CCCCC1 ZINC000456273684 1034273586 /nfs/dbraw/zinc/27/35/86/1034273586.db2.gz MFJSZDWGPUVHLY-VQTJNVASSA-N 1 3 343.515 3.685 20 0 EHADHO C[C@@H](c1cccc2ccccc21)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388740 1034360473 /nfs/dbraw/zinc/36/04/73/1034360473.db2.gz NIFZNSFBKUCUAK-AZUAARDMSA-N 1 3 337.511 3.613 20 0 EHADHO C[C@@H](c1cccc2ccccc21)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388740 1034360483 /nfs/dbraw/zinc/36/04/83/1034360483.db2.gz NIFZNSFBKUCUAK-AZUAARDMSA-N 1 3 337.511 3.613 20 0 EHADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1OC ZINC000163298193 1035028705 /nfs/dbraw/zinc/02/87/05/1035028705.db2.gz HPXLANDPCRMLKN-SJORKVTESA-N 1 3 334.504 3.867 20 0 EHADHO C[C@H]([NH2+]CCOc1ccccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492372021 1035717560 /nfs/dbraw/zinc/71/75/60/1035717560.db2.gz FKFZKJCHICWUBT-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492372021 1035717579 /nfs/dbraw/zinc/71/75/79/1035717579.db2.gz FKFZKJCHICWUBT-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372021 1035717594 /nfs/dbraw/zinc/71/75/94/1035717594.db2.gz FKFZKJCHICWUBT-PKOBYXMFSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000658354639 1036033975 /nfs/dbraw/zinc/03/39/75/1036033975.db2.gz DYNXSOPVXZKUOH-CQSZACIVSA-N 1 3 333.545 3.795 20 0 EHADHO Cc1cccc2nc(C3CC[NH+](CC[C@@H]4CCCN4C)CC3)oc21 ZINC000189812665 1036149553 /nfs/dbraw/zinc/14/95/53/1036149553.db2.gz LHLPJLOYGWWWKZ-KRWDZBQOSA-N 1 3 327.472 3.800 20 0 EHADHO CCN(C)c1ccc(CNCc2ccccc2C[NH+](CC)CC)cn1 ZINC000190706509 1036279285 /nfs/dbraw/zinc/27/92/85/1036279285.db2.gz PVUMSRFMVPDHLU-UHFFFAOYSA-N 1 3 340.515 3.669 20 0 EHADHO C[NH+](C)CC(C)(C)CNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001168767693 1037525145 /nfs/dbraw/zinc/52/51/45/1037525145.db2.gz HVLDYKSDAADKGI-UHFFFAOYSA-N 1 3 325.378 3.675 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1sccc1Br ZINC000532520822 1037561325 /nfs/dbraw/zinc/56/13/25/1037561325.db2.gz SJKRVVZQKODLCC-NEPJUHHUSA-N 1 3 349.338 3.518 20 0 EHADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540171485 1037639868 /nfs/dbraw/zinc/63/98/68/1037639868.db2.gz YNIOXFLCFMICMX-SVFBPWRDSA-N 1 3 332.532 3.795 20 0 EHADHO C[C@H]1CSCCN1Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000532578635 1037691878 /nfs/dbraw/zinc/69/18/78/1037691878.db2.gz MFESCNVUZGXHIJ-HOTGVXAUSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@H]1CSCCN1Cc1ccc(C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000532578635 1037691882 /nfs/dbraw/zinc/69/18/82/1037691882.db2.gz MFESCNVUZGXHIJ-HOTGVXAUSA-N 1 3 336.570 3.561 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928620 1037726587 /nfs/dbraw/zinc/72/65/87/1037726587.db2.gz VCIATHOVPGOMNL-XJKSGUPXSA-N 1 3 337.305 3.676 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928620 1037726610 /nfs/dbraw/zinc/72/66/10/1037726610.db2.gz VCIATHOVPGOMNL-XJKSGUPXSA-N 1 3 337.305 3.676 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928620 1037726633 /nfs/dbraw/zinc/72/66/33/1037726633.db2.gz VCIATHOVPGOMNL-XJKSGUPXSA-N 1 3 337.305 3.676 20 0 EHADHO C[C@@H]1C[C@H](NCCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078219 1037743210 /nfs/dbraw/zinc/74/32/10/1037743210.db2.gz ODCISYGFXMRUCJ-YLJYHZDGSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[C@H](NCCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078219 1037743227 /nfs/dbraw/zinc/74/32/27/1037743227.db2.gz ODCISYGFXMRUCJ-YLJYHZDGSA-N 1 3 342.458 3.847 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000573913649 1037800771 /nfs/dbraw/zinc/80/07/71/1037800771.db2.gz CFXKTDJWANMMHC-NRFANRHFSA-N 1 3 340.511 3.596 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000183154512 1037931762 /nfs/dbraw/zinc/93/17/62/1037931762.db2.gz JRFRNPMXERBVDI-WWNPGLIZSA-N 1 3 349.522 3.905 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180083980 1038037262 /nfs/dbraw/zinc/03/72/62/1038037262.db2.gz YKOZIJOZRZVEJC-IBGZPJMESA-N 1 3 336.907 3.882 20 0 EHADHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccs1 ZINC000124680740 1038221290 /nfs/dbraw/zinc/22/12/90/1038221290.db2.gz PPHBMEPDQQNVFB-KRWDZBQOSA-N 1 3 335.561 3.739 20 0 EHADHO c1nc2ccccc2n1-c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000010352552 1038515131 /nfs/dbraw/zinc/51/51/31/1038515131.db2.gz VRTZDKYPKUMGOW-UHFFFAOYSA-N 1 3 346.478 3.742 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)ccc1OC ZINC000182958611 1038654055 /nfs/dbraw/zinc/65/40/55/1038654055.db2.gz GZTKZIOOKDPBDY-JXFKEZNVSA-N 1 3 336.520 3.595 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@](C)(O)C3CCCCC3)CC2)C1 ZINC000477869580 1039004663 /nfs/dbraw/zinc/00/46/63/1039004663.db2.gz XZPHKWLDNRGUNN-QMMLZNLJSA-N 1 3 336.564 3.950 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000480094121 1039145037 /nfs/dbraw/zinc/14/50/37/1039145037.db2.gz OTXYEFAGPBFJFA-CTNGQTDRSA-N 1 3 343.559 3.751 20 0 EHADHO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCN2CCCC2)cc1F ZINC000480159814 1039245708 /nfs/dbraw/zinc/24/57/08/1039245708.db2.gz DUPIFWBZMBSMFF-MJGOQNOKSA-N 1 3 334.479 3.936 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000554372535 1039286164 /nfs/dbraw/zinc/28/61/64/1039286164.db2.gz NNCGPGONIMCPFU-ZRSRNVLSSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554372535 1039286173 /nfs/dbraw/zinc/28/61/73/1039286173.db2.gz NNCGPGONIMCPFU-ZRSRNVLSSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000554372535 1039286182 /nfs/dbraw/zinc/28/61/82/1039286182.db2.gz NNCGPGONIMCPFU-ZRSRNVLSSA-N 1 3 334.454 3.920 20 0 EHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(C2CC2)no1 ZINC000660166149 1039497018 /nfs/dbraw/zinc/49/70/18/1039497018.db2.gz KIFUAXDZNGEJHJ-UHFFFAOYSA-N 1 3 340.471 3.686 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000480737991 1039951665 /nfs/dbraw/zinc/95/16/65/1039951665.db2.gz INFAGMOYPIBKEH-SFTDATJTSA-N 1 3 344.474 3.862 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(O)(C2CC2)C2CC2)CC1 ZINC000668619390 1040143836 /nfs/dbraw/zinc/14/38/36/1040143836.db2.gz HBZSLALUYULDSD-UHFFFAOYSA-N 1 3 336.564 3.806 20 0 EHADHO Cc1ccn2c(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cnc2c1 ZINC000486530273 1040218455 /nfs/dbraw/zinc/21/84/55/1040218455.db2.gz CWLJCLWULYYSKU-UYAOXDASSA-N 1 3 348.494 3.643 20 0 EHADHO Cc1cc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000417849745 1040262121 /nfs/dbraw/zinc/26/21/21/1040262121.db2.gz ARPVCPFEAJYUCU-UHFFFAOYSA-N 1 3 348.494 3.747 20 0 EHADHO CC(C)(C)c1nc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925627247 1040304475 /nfs/dbraw/zinc/30/44/75/1040304475.db2.gz VKXUCCYVQMLAMQ-IAGOWNOFSA-N 1 3 335.561 3.741 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C[C@@H](C)O1 ZINC000553886507 1040570855 /nfs/dbraw/zinc/57/08/55/1040570855.db2.gz NTHSELAFUQSQKR-OPYAIIAOSA-N 1 3 342.527 3.538 20 0 EHADHO Brc1ccc([C@@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372134 1040685830 /nfs/dbraw/zinc/68/58/30/1040685830.db2.gz UPJWIHBVRUHICY-ROUUACIJSA-N 1 3 349.316 3.769 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCNc1cc(CN2CCCCC2)ccn1 ZINC001167752678 1040837027 /nfs/dbraw/zinc/83/70/27/1040837027.db2.gz WTMBZJXXFWWBRY-SFHVURJKSA-N 1 3 330.520 3.744 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCNc1cc(CN2CCCCC2)ccn1 ZINC001167752678 1040837041 /nfs/dbraw/zinc/83/70/41/1040837041.db2.gz WTMBZJXXFWWBRY-SFHVURJKSA-N 1 3 330.520 3.744 20 0 EHADHO Brc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157431775 1041114945 /nfs/dbraw/zinc/11/49/45/1041114945.db2.gz UYSFHQVDOBGMJX-XYQBIQKZSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157431775 1041114953 /nfs/dbraw/zinc/11/49/53/1041114953.db2.gz UYSFHQVDOBGMJX-XYQBIQKZSA-N 1 3 349.316 3.912 20 0 EHADHO C[C@@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000571294255 1041259459 /nfs/dbraw/zinc/25/94/59/1041259459.db2.gz ICAFVNHJDSYTJO-GBESFXJTSA-N 1 3 330.516 3.611 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000481731725 1041306194 /nfs/dbraw/zinc/30/61/94/1041306194.db2.gz DADBBDSIEWBAKB-FXAWDEMLSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000481731725 1041306204 /nfs/dbraw/zinc/30/62/04/1041306204.db2.gz DADBBDSIEWBAKB-FXAWDEMLSA-N 1 3 348.494 3.514 20 0 EHADHO FC(F)(F)CCC(CCC(F)(F)F)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925711673 1041673140 /nfs/dbraw/zinc/67/31/40/1041673140.db2.gz ZNKBBDIPAZWPDC-XZPDDHLCSA-N 1 3 344.343 3.626 20 0 EHADHO CCCN(CCC[NH+](C)C)CCc1ccccc1Br ZINC001207534177 1042315975 /nfs/dbraw/zinc/31/59/75/1042315975.db2.gz QGXBIZJARCVEEZ-UHFFFAOYSA-N 1 3 327.310 3.655 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000662201503 1042587308 /nfs/dbraw/zinc/58/73/08/1042587308.db2.gz MGFGKCBGIOYTEL-OAQYLSRUSA-N 1 3 335.580 3.695 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000662201503 1042587312 /nfs/dbraw/zinc/58/73/12/1042587312.db2.gz MGFGKCBGIOYTEL-OAQYLSRUSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298434 1042665905 /nfs/dbraw/zinc/66/59/05/1042665905.db2.gz WCBKQCOQUYPCSA-YJBOKZPZSA-N 1 3 340.471 3.509 20 0 EHADHO Cc1ccc2ccccc2c1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321764 1042684821 /nfs/dbraw/zinc/68/48/21/1042684821.db2.gz PIQQTLAZHWWYOB-IBGZPJMESA-N 1 3 326.484 3.691 20 0 EHADHO CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001167834584 1043023941 /nfs/dbraw/zinc/02/39/41/1043023941.db2.gz KVUVWVXWIFIHEW-MJGOQNOKSA-N 1 3 331.504 3.600 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)cc1CN1CCCCC1 ZINC000183343684 1125535902 /nfs/dbraw/zinc/53/59/02/1125535902.db2.gz MKFVCIDCZXHYTM-FXAWDEMLSA-N 1 3 346.515 3.901 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc3c[nH]nc3c2)CC1 ZINC000671301266 1126885022 /nfs/dbraw/zinc/88/50/22/1126885022.db2.gz DEQUZOCDAJFKRQ-HRAATJIYSA-N 1 3 340.515 3.738 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2C)C1 ZINC000623866938 1127206566 /nfs/dbraw/zinc/20/65/66/1127206566.db2.gz KICVBEINMNVQHI-KBPBESRZSA-N 1 3 325.294 3.750 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123690 1127256618 /nfs/dbraw/zinc/25/66/18/1127256618.db2.gz QQLRMGTZYGFSTJ-HLIPFELVSA-N 1 3 334.479 3.615 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000624119902 1127255400 /nfs/dbraw/zinc/25/54/00/1127255400.db2.gz MANRNNJVCBLDSS-ZIAGYGMSSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185663845 1127429401 /nfs/dbraw/zinc/42/94/01/1127429401.db2.gz ISHAPCCFRARFIS-SJORKVTESA-N 1 3 334.479 3.837 20 0 EHADHO C[C@H](CN[C@H](C[C@@H]1CCOC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000166236776 1127666791 /nfs/dbraw/zinc/66/67/91/1127666791.db2.gz PIEYIKLFIUKAQP-SVFBPWRDSA-N 1 3 330.516 3.866 20 0 EHADHO C[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)CN1CCCCC1 ZINC000166236776 1127666795 /nfs/dbraw/zinc/66/67/95/1127666795.db2.gz PIEYIKLFIUKAQP-SVFBPWRDSA-N 1 3 330.516 3.866 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000282240002 1128124078 /nfs/dbraw/zinc/12/40/78/1128124078.db2.gz JAKFQGFVERBKDF-QGZVFWFLSA-N 1 3 347.547 3.541 20 0 EHADHO Cc1cc(Cl)ccc1CNCc1cccc(OCC[NH+](C)C)c1 ZINC000129003418 1120139360 /nfs/dbraw/zinc/13/93/60/1120139360.db2.gz JBNAPGYKBAOUCX-UHFFFAOYSA-N 1 3 332.875 3.879 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@H](O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465177 1120532453 /nfs/dbraw/zinc/53/24/53/1120532453.db2.gz AOCTZTUQJGVYKJ-DLBZAZTESA-N 1 3 346.437 3.693 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000192792716 1120748986 /nfs/dbraw/zinc/74/89/86/1120748986.db2.gz ZZEAQSMUDFZWIC-JOCHJYFZSA-N 1 3 343.559 3.924 20 0 EHADHO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000494740336 1120755280 /nfs/dbraw/zinc/75/52/80/1120755280.db2.gz OYCDMYHMMGRLLL-RFDJMGGLSA-N 1 3 342.527 3.977 20 0 EHADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000157006835 1128944732 /nfs/dbraw/zinc/94/47/32/1128944732.db2.gz CQRYBFNKRVDJPF-OAHLLOKOSA-N 1 3 339.886 3.522 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495029777 1120935239 /nfs/dbraw/zinc/93/52/39/1120935239.db2.gz WXOQYRXZZLAOAZ-LSTHTHJFSA-N 1 3 334.479 3.757 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495029777 1120935241 /nfs/dbraw/zinc/93/52/41/1120935241.db2.gz WXOQYRXZZLAOAZ-LSTHTHJFSA-N 1 3 334.479 3.757 20 0 EHADHO C[C@@H](O)C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305129154 1121258118 /nfs/dbraw/zinc/25/81/18/1121258118.db2.gz JHHBLVFHHVICQP-QUCCMNQESA-N 1 3 344.543 3.928 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125858870 1122349825 /nfs/dbraw/zinc/34/98/25/1122349825.db2.gz YOVHVGRZYHJLMG-MJGOQNOKSA-N 1 3 340.515 3.952 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125858870 1122349829 /nfs/dbraw/zinc/34/98/29/1122349829.db2.gz YOVHVGRZYHJLMG-MJGOQNOKSA-N 1 3 340.515 3.952 20 0 EHADHO CN(C)C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000194511092 1122705452 /nfs/dbraw/zinc/70/54/52/1122705452.db2.gz HEDYBTWBEMYGBW-UHFFFAOYSA-N 1 3 344.421 3.890 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000556590170 1123045701 /nfs/dbraw/zinc/04/57/01/1123045701.db2.gz ZWBWUOISKOEXQG-IOMROCGXSA-N 1 3 330.516 3.899 20 0 EHADHO COCc1ccccc1/C=C(/C)CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000556868149 1123159220 /nfs/dbraw/zinc/15/92/20/1123159220.db2.gz HWVOZESTEHZTPL-JAGQXMJZSA-N 1 3 328.500 3.652 20 0 EHADHO COCc1ccccc1/C=C(/C)CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000556868149 1123159221 /nfs/dbraw/zinc/15/92/21/1123159221.db2.gz HWVOZESTEHZTPL-JAGQXMJZSA-N 1 3 328.500 3.652 20 0 EHADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@H]2CCC[C@H]21 ZINC000556872525 1123162137 /nfs/dbraw/zinc/16/21/37/1123162137.db2.gz YWFJZWAVLNSYBB-VBRUWADQSA-N 1 3 347.572 3.593 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3ccccc32)C[C@H](C)O1 ZINC000237608577 1123528420 /nfs/dbraw/zinc/52/84/20/1123528420.db2.gz LFJNRMDVRULNQZ-HDICACEKSA-N 1 3 326.484 3.819 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)[C@H](C)C2 ZINC000246065205 1124010764 /nfs/dbraw/zinc/01/07/64/1124010764.db2.gz ZLXLRYQNLXQWAC-XUFNMVPLSA-N 1 3 342.527 3.586 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000246956827 1124571369 /nfs/dbraw/zinc/57/13/69/1124571369.db2.gz IQAXIOHVEUTGLK-HZSPNIEDSA-N 1 3 330.925 3.942 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247199087 1124594361 /nfs/dbraw/zinc/59/43/61/1124594361.db2.gz WEFXZJZOWPCFBW-MGPQQGTHSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247199087 1124594364 /nfs/dbraw/zinc/59/43/64/1124594364.db2.gz WEFXZJZOWPCFBW-MGPQQGTHSA-N 1 3 330.394 3.545 20 0 EHADHO C(N1CCC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662945 /nfs/dbraw/zinc/66/29/45/1124662945.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662949 /nfs/dbraw/zinc/66/29/49/1124662949.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662952 /nfs/dbraw/zinc/66/29/52/1124662952.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)COC1 ZINC000248436987 1124662953 /nfs/dbraw/zinc/66/29/53/1124662953.db2.gz SKKXQJYPEVADEB-YRPNKDGESA-N 1 3 332.532 3.532 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1 ZINC000249187423 1124745341 /nfs/dbraw/zinc/74/53/41/1124745341.db2.gz LRNXCGKORAEHJJ-XUVXKRRUSA-N 1 3 334.479 3.634 20 0 EHADHO C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000253183165 1125120212 /nfs/dbraw/zinc/12/02/12/1125120212.db2.gz GJULAAMZEKTQLK-IINYFYTJSA-N 1 3 331.685 3.532 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1CN1CCCCC1 ZINC000182198194 1125209191 /nfs/dbraw/zinc/20/91/91/1125209191.db2.gz QCQXQGXVIQRXIE-VQIMIIECSA-N 1 3 332.488 3.511 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1CN1CCCCC1 ZINC000183098731 1125443564 /nfs/dbraw/zinc/44/35/64/1125443564.db2.gz VXWLATNWVMSOER-UWJYYQICSA-N 1 3 346.515 3.901 20 0 EHADHO CCc1noc([C@@H]2CC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC000922870719 1129701976 /nfs/dbraw/zinc/70/19/76/1129701976.db2.gz UHAPNNPHVMVGKK-NVXWUHKLSA-N 1 3 346.519 3.655 20 0 EHADHO CCc1noc([C@@H]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)n1 ZINC000922870719 1129701979 /nfs/dbraw/zinc/70/19/79/1129701979.db2.gz UHAPNNPHVMVGKK-NVXWUHKLSA-N 1 3 346.519 3.655 20 0 EHADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000347850189 1129923487 /nfs/dbraw/zinc/92/34/87/1129923487.db2.gz FPNCMLCQOCORFA-INIZCTEOSA-N 1 3 336.907 3.978 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CCN1Cc1ccccc1 ZINC000674335832 1130067200 /nfs/dbraw/zinc/06/72/00/1130067200.db2.gz RRWTWPNDRUSLGJ-AEFFLSMTSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1C[C@@H](NCc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000674335832 1130067205 /nfs/dbraw/zinc/06/72/05/1130067205.db2.gz RRWTWPNDRUSLGJ-AEFFLSMTSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1C[C@@H](NCc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335832 1130067211 /nfs/dbraw/zinc/06/72/11/1130067211.db2.gz RRWTWPNDRUSLGJ-AEFFLSMTSA-N 1 3 334.467 3.706 20 0 EHADHO COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000174265352 1130346220 /nfs/dbraw/zinc/34/62/20/1130346220.db2.gz CZZGUKYYCQPMJM-SFHVURJKSA-N 1 3 336.479 3.936 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675752539 1130465344 /nfs/dbraw/zinc/46/53/44/1130465344.db2.gz YIXNONCEBWVYTI-KBRIMQKVSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752539 1130465348 /nfs/dbraw/zinc/46/53/48/1130465348.db2.gz YIXNONCEBWVYTI-KBRIMQKVSA-N 1 3 326.406 3.853 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001173114760 1131972189 /nfs/dbraw/zinc/97/21/89/1131972189.db2.gz SCZNSWKKUZMKGT-ABHNRTSZSA-N 1 3 338.536 3.836 20 0 EHADHO CCSC[C@H](C)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001173299996 1132032551 /nfs/dbraw/zinc/03/25/51/1132032551.db2.gz VAYCVVXBXILISD-JQBKDIKQSA-N 1 3 338.520 3.705 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000181492731 1132088070 /nfs/dbraw/zinc/08/80/70/1132088070.db2.gz YYIJRFCKKUUFCW-FQEVSTJZSA-N 1 3 331.548 3.781 20 0 EHADHO CCN(CC)CCC[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173780513 1132146607 /nfs/dbraw/zinc/14/66/07/1132146607.db2.gz NLZOHFOIQXVXKU-UHFFFAOYSA-N 1 3 346.515 3.960 20 0 EHADHO CN(CCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169163468 1132684580 /nfs/dbraw/zinc/68/45/80/1132684580.db2.gz ZQQMRUJBLUBOGM-FVQHAEBGSA-N 1 3 326.406 3.805 20 0 EHADHO CN(CCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169163468 1132684584 /nfs/dbraw/zinc/68/45/84/1132684584.db2.gz ZQQMRUJBLUBOGM-FVQHAEBGSA-N 1 3 326.406 3.805 20 0 EHADHO CC[NH+]1CCC(NC(C)(C)c2cccc(Br)c2)CC1 ZINC001169233369 1132703224 /nfs/dbraw/zinc/70/32/24/1132703224.db2.gz OHOLSQMTWLEHRE-UHFFFAOYSA-N 1 3 325.294 3.758 20 0 EHADHO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001177267679 1133050362 /nfs/dbraw/zinc/05/03/62/1133050362.db2.gz LISGNCZJQBAMMI-DENIHFKCSA-N 1 3 343.559 3.883 20 0 EHADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500831 1133146354 /nfs/dbraw/zinc/14/63/54/1133146354.db2.gz GAAVWBPPNQOXTN-NVXWUHKLSA-N 1 3 327.497 3.744 20 0 EHADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500831 1133146356 /nfs/dbraw/zinc/14/63/56/1133146356.db2.gz GAAVWBPPNQOXTN-NVXWUHKLSA-N 1 3 327.497 3.744 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(OC(F)F)c1 ZINC000769103057 1133232410 /nfs/dbraw/zinc/23/24/10/1133232410.db2.gz VFUVMVYSXBGLSY-UHFFFAOYSA-N 1 3 334.410 3.982 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)ccc1OC ZINC000775391197 1134704762 /nfs/dbraw/zinc/70/47/62/1134704762.db2.gz CDOLOJFCZLFLMB-LZLYRXPVSA-N 1 3 334.504 3.613 20 0 EHADHO Cc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cnc1Cl ZINC000793206280 1134882587 /nfs/dbraw/zinc/88/25/87/1134882587.db2.gz DPWIECFMJWWSTH-QGZVFWFLSA-N 1 3 329.875 3.655 20 0 EHADHO COCc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)ccc1OC ZINC000121589776 1136039038 /nfs/dbraw/zinc/03/90/38/1136039038.db2.gz VIWVFFWAQBPJGA-DLBZAZTESA-N 1 3 334.504 3.614 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC2SCCS2)CC1 ZINC000850571184 1136289102 /nfs/dbraw/zinc/28/91/02/1136289102.db2.gz RXDWOCSQGZGBJH-GDBMZVCRSA-N 1 3 328.591 3.815 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](SC)C2)CC1 ZINC000776702329 1136578856 /nfs/dbraw/zinc/57/88/56/1136578856.db2.gz YJNFDKOFQXTUIR-OALUTQOASA-N 1 3 347.572 3.592 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000856559476 1136795041 /nfs/dbraw/zinc/79/50/41/1136795041.db2.gz ABHXVJSZMFFBFJ-NRFANRHFSA-N 1 3 339.483 3.575 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000856559476 1136795045 /nfs/dbraw/zinc/79/50/45/1136795045.db2.gz ABHXVJSZMFFBFJ-NRFANRHFSA-N 1 3 339.483 3.575 20 0 EHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CCS2 ZINC000817949492 1136850421 /nfs/dbraw/zinc/85/04/21/1136850421.db2.gz RQBPIXUAJUAULJ-SFHVURJKSA-N 1 3 328.481 3.523 20 0 EHADHO CC(C)CN1CCC([NH2+]C[C@H](O)c2cccc3ccccc32)CC1 ZINC000818981468 1136896155 /nfs/dbraw/zinc/89/61/55/1136896155.db2.gz UOGMBABSHTYEHM-NRFANRHFSA-N 1 3 326.484 3.583 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101486 1136908721 /nfs/dbraw/zinc/90/87/21/1136908721.db2.gz VHNKOIKBONGGHF-BJZITVGISA-N 1 3 348.487 3.593 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101486 1136908725 /nfs/dbraw/zinc/90/87/25/1136908725.db2.gz VHNKOIKBONGGHF-BJZITVGISA-N 1 3 348.487 3.593 20 0 EHADHO Cc1ccc([C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000819078285 1136911696 /nfs/dbraw/zinc/91/16/96/1136911696.db2.gz IHQPSLQYNXFONT-AVRDEDQJSA-N 1 3 338.495 3.844 20 0 EHADHO C[C@H](Cc1ccccc1Br)NCC[C@H]1CCCC[NH2+]1 ZINC001246238914 1137095689 /nfs/dbraw/zinc/09/56/89/1137095689.db2.gz AWSYZGSQVNFFNP-UKRRQHHQSA-N 1 3 325.294 3.502 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCSC(F)(F)F)CC1 ZINC000823666679 1137108955 /nfs/dbraw/zinc/10/89/55/1137108955.db2.gz PTULTJOFFMNSKG-AWEZNQCLSA-N 1 3 346.462 3.925 20 0 EHADHO Cc1c(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)ccnc1F ZINC000862353091 1137139610 /nfs/dbraw/zinc/13/96/10/1137139610.db2.gz TUTIZFXHAJBTNC-FQEVSTJZSA-N 1 3 327.447 3.531 20 0 EHADHO C[N@@H+]1CC[C@@H](NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367768 1137140755 /nfs/dbraw/zinc/14/07/55/1137140755.db2.gz UXAGAZNDUUNOOG-CZUORRHYSA-N 1 3 345.314 3.879 20 0 EHADHO C[N@H+]1CC[C@@H](NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367768 1137140757 /nfs/dbraw/zinc/14/07/57/1137140757.db2.gz UXAGAZNDUUNOOG-CZUORRHYSA-N 1 3 345.314 3.879 20 0 EHADHO Cc1c(Cl)cccc1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000865496546 1137288933 /nfs/dbraw/zinc/28/89/33/1137288933.db2.gz WFZDOGCABJXVLY-OALUTQOASA-N 1 3 336.907 3.506 20 0 EHADHO CC(C)[NH+]1CCC(CN(C)Cc2cccnc2C(F)(F)F)CC1 ZINC001144531749 1137306061 /nfs/dbraw/zinc/30/60/61/1137306061.db2.gz XGDACQLAMFGZHG-UHFFFAOYSA-N 1 3 329.410 3.653 20 0 EHADHO C[C@H]([NH3+])[C@@H](NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000925494411 1137448964 /nfs/dbraw/zinc/44/89/64/1137448964.db2.gz POHSYBNEMSYLQF-KVSKMBFKSA-N 1 3 329.513 3.563 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000773046525 1137461728 /nfs/dbraw/zinc/46/17/28/1137461728.db2.gz STUUAHSQKBBSLG-SJKOYZFVSA-N 1 3 342.886 3.754 20 0 EHADHO CSC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716626543 1137487848 /nfs/dbraw/zinc/48/78/48/1137487848.db2.gz OKPGJKZWVQTNIK-OTWHNJEPSA-N 1 3 330.541 3.915 20 0 EHADHO Oc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000716650190 1137487980 /nfs/dbraw/zinc/48/79/80/1137487980.db2.gz LZQKGIDOSXMASH-ACRUOGEOSA-N 1 3 336.479 3.577 20 0 EHADHO Cc1cnc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(C)c1 ZINC000716708579 1137488585 /nfs/dbraw/zinc/48/85/85/1137488585.db2.gz RDXGXAMUVDQGSQ-BDTNDASRSA-N 1 3 349.522 3.884 20 0 EHADHO Cc1cccc2c1CC[C@@H](N1CCC([NH3+])(c3ccc(F)cc3)CC1)C2 ZINC001171558368 1137497905 /nfs/dbraw/zinc/49/79/05/1137497905.db2.gz HLESRJQGBKFTHS-HXUWFJFHSA-N 1 3 338.470 3.941 20 0 EHADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678862 1137503577 /nfs/dbraw/zinc/50/35/77/1137503577.db2.gz HYWMDGSJHCODDC-DENIHFKCSA-N 1 3 344.543 3.891 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171643470 1137505240 /nfs/dbraw/zinc/50/52/40/1137505240.db2.gz USKCCISEMGXZAY-HNNXBMFYSA-N 1 3 338.536 3.692 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171643470 1137505242 /nfs/dbraw/zinc/50/52/42/1137505242.db2.gz USKCCISEMGXZAY-HNNXBMFYSA-N 1 3 338.536 3.692 20 0 EHADHO COc1cccc([C@@H](NC[C@H]2C[C@@H]([NH3+])C2)c2ccccc2Cl)c1 ZINC000873249576 1137595282 /nfs/dbraw/zinc/59/52/82/1137595282.db2.gz BAVHNMTUSJRUTE-FRIZHTMISA-N 1 3 330.859 3.765 20 0 EHADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000873291508 1137596681 /nfs/dbraw/zinc/59/66/81/1137596681.db2.gz WPGGKFRTYLXZMA-CHWSQXEVSA-N 1 3 343.298 3.803 20 0 EHADHO CC(C)c1c[nH]c(CNCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000882922187 1137838535 /nfs/dbraw/zinc/83/85/35/1137838535.db2.gz ZTUKKIQKBAVSKM-UHFFFAOYSA-N 1 3 326.488 3.535 20 0 EHADHO C[N@H+](Cc1ccccc1NC(=O)[C@@H](N)CC1CC1)C1CCCCC1 ZINC000884176866 1137922450 /nfs/dbraw/zinc/92/24/50/1137922450.db2.gz SEWKYLOFUFMNCJ-SFHVURJKSA-N 1 3 329.488 3.517 20 0 EHADHO C[N@@H+](Cc1ccccc1NC(=O)[C@@H](N)CC1CC1)C1CCCCC1 ZINC000884176866 1137922451 /nfs/dbraw/zinc/92/24/51/1137922451.db2.gz SEWKYLOFUFMNCJ-SFHVURJKSA-N 1 3 329.488 3.517 20 0 EHADHO CCC(O)(CC)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886598568 1138100773 /nfs/dbraw/zinc/10/07/73/1138100773.db2.gz FFRYSYFESXGLON-UFYCRDLUSA-N 1 3 330.516 3.570 20 0 EHADHO c1ccc2[nH]c(C3CC[NH+](CCCN4CCCCC4)CC3)nc2c1 ZINC000125146236 1138301707 /nfs/dbraw/zinc/30/17/07/1138301707.db2.gz UGEQVILMVJRBNV-UHFFFAOYSA-N 1 3 326.488 3.618 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000128427567 1138389184 /nfs/dbraw/zinc/38/91/84/1138389184.db2.gz DCELOKFLKKSASE-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000128427567 1138389187 /nfs/dbraw/zinc/38/91/87/1138389187.db2.gz DCELOKFLKKSASE-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@@H](N[C@H]1CCCc2occc21)c1cccc(OCC[NH+](C)C)c1 ZINC000152248485 1139082048 /nfs/dbraw/zinc/08/20/48/1139082048.db2.gz ZDYAZMHFRGIPSM-BEFAXECRSA-N 1 3 328.456 3.948 20 0 EHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000178522454 1139701231 /nfs/dbraw/zinc/70/12/31/1139701231.db2.gz QOJNDAVIYPJWGS-GOSISDBHSA-N 1 3 338.495 3.851 20 0 EHADHO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000178620160 1139708335 /nfs/dbraw/zinc/70/83/35/1139708335.db2.gz GFMVWYRJQYZISW-BEFAXECRSA-N 1 3 343.540 3.975 20 0 EHADHO CC(C)Oc1cccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000192786510 1140550613 /nfs/dbraw/zinc/55/06/13/1140550613.db2.gz WYTCRIMWAACZIX-LJQANCHMSA-N 1 3 347.547 3.541 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccnn1C ZINC000192843035 1140552569 /nfs/dbraw/zinc/55/25/69/1140552569.db2.gz ACOJMAZRIMJZCK-OAHLLOKOSA-N 1 3 346.906 3.636 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000349135307 1141643357 /nfs/dbraw/zinc/64/33/57/1141643357.db2.gz YHXNKQUIEAEBJJ-GOSISDBHSA-N 1 3 341.524 3.974 20 0 EHADHO C[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H](C)CN1C ZINC001164635492 719211586 /nfs/dbraw/zinc/21/15/86/719211586.db2.gz IQJRVPISIZBDME-SJORKVTESA-N 1 3 334.467 3.613 20 0 EHADHO C[NH+](C)CC1CCN(c2nc(N3CCCC3)cc3ccccc32)CC1 ZINC001165045289 721949892 /nfs/dbraw/zinc/94/98/92/721949892.db2.gz PWDARMJVVVISNQ-UHFFFAOYSA-N 1 3 338.499 3.613 20 0 EHADHO C[NH+](C)CCOc1cc(CNCc2ccc(C3CCC3)cc2)ccn1 ZINC000339327799 1014226462 /nfs/dbraw/zinc/22/64/62/1014226462.db2.gz DCWHDMNZLHHDDZ-UHFFFAOYSA-N 1 3 339.483 3.579 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)c(F)c1 ZINC000624122370 1016925043 /nfs/dbraw/zinc/92/50/43/1016925043.db2.gz PIZQDRISQFANPM-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccccc2O)CC1 ZINC000449110327 1032190123 /nfs/dbraw/zinc/19/01/23/1032190123.db2.gz CCHADFJOEIHQAD-SFHVURJKSA-N 1 3 338.495 3.620 20 0 EHADHO C/C(Cl)=C\CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000528371386 1032205451 /nfs/dbraw/zinc/20/54/51/1032205451.db2.gz DDUROYNIIJONIS-DDBXPCSUSA-N 1 3 336.907 3.506 20 0 EHADHO C/C(Cl)=C/CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000528371389 1032205892 /nfs/dbraw/zinc/20/58/92/1032205892.db2.gz DDUROYNIIJONIS-DLXXGXJASA-N 1 3 336.907 3.506 20 0 EHADHO CCC[NH+]1CCC(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449131182 1032224538 /nfs/dbraw/zinc/22/45/38/1032224538.db2.gz KPAJBZWYLWIKEG-HNNXBMFYSA-N 1 3 326.406 3.803 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000449159892 1032273662 /nfs/dbraw/zinc/27/36/62/1032273662.db2.gz JLUDPHSFUIFKDS-QGZVFWFLSA-N 1 3 332.536 3.536 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000459784590 1032467233 /nfs/dbraw/zinc/46/72/33/1032467233.db2.gz OALQJSLKHJAFTP-OAHLLOKOSA-N 1 3 331.485 3.647 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000459784590 1032467235 /nfs/dbraw/zinc/46/72/35/1032467235.db2.gz OALQJSLKHJAFTP-OAHLLOKOSA-N 1 3 331.485 3.647 20 0 EHADHO Cc1ncsc1CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449468898 1032586698 /nfs/dbraw/zinc/58/66/98/1032586698.db2.gz RKSUANBEHNXYQB-MRXNPFEDSA-N 1 3 343.540 3.679 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415060446 1017471182 /nfs/dbraw/zinc/47/11/82/1017471182.db2.gz WUOUBWDPGLTARM-NRFANRHFSA-N 1 3 334.467 3.751 20 0 EHADHO c1cnn(Cc2ccc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)c1 ZINC000415120203 1017580671 /nfs/dbraw/zinc/58/06/71/1017580671.db2.gz KXOYJSUNPIVAKZ-YADHBBJMSA-N 1 3 346.478 3.514 20 0 EHADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446078 1017854705 /nfs/dbraw/zinc/85/47/05/1017854705.db2.gz JEELVQQSYWVECW-FAXKSRBJSA-N 1 3 337.467 3.633 20 0 EHADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446078 1017854728 /nfs/dbraw/zinc/85/47/28/1017854728.db2.gz JEELVQQSYWVECW-FAXKSRBJSA-N 1 3 337.467 3.633 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561614 1032811417 /nfs/dbraw/zinc/81/14/17/1032811417.db2.gz WDFNGGUSVWILTA-LNRIEFBSSA-N 1 3 349.906 3.580 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561614 1032811429 /nfs/dbraw/zinc/81/14/29/1032811429.db2.gz WDFNGGUSVWILTA-LNRIEFBSSA-N 1 3 349.906 3.580 20 0 EHADHO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000580471663 1019426992 /nfs/dbraw/zinc/42/69/92/1019426992.db2.gz BCDJVYOTXDAPMZ-SVFBPWRDSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513223437 1019439221 /nfs/dbraw/zinc/43/92/21/1019439221.db2.gz MGJRQHCBQWMJBL-CBGDNZLLSA-N 1 3 330.516 3.956 20 0 EHADHO CO[C@H](CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC000345509614 1020307794 /nfs/dbraw/zinc/30/77/94/1020307794.db2.gz JBQUPFVMWAHDRL-FVQBIDKESA-N 1 3 336.442 3.587 20 0 EHADHO CC(C)CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000501035312 1020672135 /nfs/dbraw/zinc/67/21/35/1020672135.db2.gz HVADISVPVLZQIW-IBGZPJMESA-N 1 3 325.585 3.843 20 0 EHADHO CC(C)C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cccs1 ZINC000501055252 1020676126 /nfs/dbraw/zinc/67/61/26/1020676126.db2.gz AOTFXCHQVMBXOH-GOSISDBHSA-N 1 3 337.577 3.841 20 0 EHADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000501108715 1020711213 /nfs/dbraw/zinc/71/12/13/1020711213.db2.gz FBCDEGJEFIPOOK-UHFFFAOYSA-N 1 3 337.939 3.578 20 0 EHADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000501108715 1020711221 /nfs/dbraw/zinc/71/12/21/1020711221.db2.gz FBCDEGJEFIPOOK-UHFFFAOYSA-N 1 3 337.939 3.578 20 0 EHADHO CCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000507483233 1021301234 /nfs/dbraw/zinc/30/12/34/1021301234.db2.gz GXXBKAGWTVAYKP-PWRODBHTSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000656785108 1021340342 /nfs/dbraw/zinc/34/03/42/1021340342.db2.gz IMHVBTZZCNRBEE-IBGZPJMESA-N 1 3 339.483 3.862 20 0 EHADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000426354086 1021359346 /nfs/dbraw/zinc/35/93/46/1021359346.db2.gz YCUGTEYUSANASB-SLFFLAALSA-N 1 3 330.516 3.549 20 0 EHADHO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000437096316 1021548201 /nfs/dbraw/zinc/54/82/01/1021548201.db2.gz SSXCXDZWSWJMIO-VAMGGRTRSA-N 1 3 330.516 3.692 20 0 EHADHO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000437096314 1021549186 /nfs/dbraw/zinc/54/91/86/1021549186.db2.gz SSXCXDZWSWJMIO-HSALFYBXSA-N 1 3 330.516 3.692 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406691 1022234844 /nfs/dbraw/zinc/23/48/44/1022234844.db2.gz YVVWTMONFVIFAD-AZUAARDMSA-N 1 3 328.500 3.631 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441406691 1022234853 /nfs/dbraw/zinc/23/48/53/1022234853.db2.gz YVVWTMONFVIFAD-AZUAARDMSA-N 1 3 328.500 3.631 20 0 EHADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cc(F)cc(Br)c1 ZINC000425941676 1022325437 /nfs/dbraw/zinc/32/54/37/1022325437.db2.gz KBCWQEFXVANGAT-NHYWBVRUSA-N 1 3 331.273 3.827 20 0 EHADHO CC(C)N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000129176521 1022488859 /nfs/dbraw/zinc/48/88/59/1022488859.db2.gz CPWUKTWTLZNWDY-UHFFFAOYSA-N 1 3 329.257 3.551 20 0 EHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000894613708 1022618121 /nfs/dbraw/zinc/61/81/21/1022618121.db2.gz QCOXXBIRWYUSGW-SNVBAGLBSA-N 1 3 335.801 3.746 20 0 EHADHO CCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639711 1022742665 /nfs/dbraw/zinc/74/26/65/1022742665.db2.gz MAUUHBOURAIIPA-WMLDXEAASA-N 1 3 345.314 3.881 20 0 EHADHO C[C@H]1CNCC[C@H]1[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414948387 1022974288 /nfs/dbraw/zinc/97/42/88/1022974288.db2.gz XYHMERJTIFGCLM-VBKZILBWSA-N 1 3 330.422 3.684 20 0 EHADHO COc1ccc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168002948 1024091732 /nfs/dbraw/zinc/09/17/32/1024091732.db2.gz FSSPFGSPNDABIU-MQEZQYLSSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168002948 1024091744 /nfs/dbraw/zinc/09/17/44/1024091744.db2.gz FSSPFGSPNDABIU-MQEZQYLSSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002948 1024091766 /nfs/dbraw/zinc/09/17/66/1024091766.db2.gz FSSPFGSPNDABIU-MQEZQYLSSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002948 1024091781 /nfs/dbraw/zinc/09/17/81/1024091781.db2.gz FSSPFGSPNDABIU-MQEZQYLSSA-N 1 3 340.511 3.890 20 0 EHADHO C[C@@H]1CC(NCCc2nccs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006316 1024398288 /nfs/dbraw/zinc/39/82/88/1024398288.db2.gz NBXYDFZMHVTQKB-HZPDHXFCSA-N 1 3 329.513 3.717 20 0 EHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cncc(Br)c1 ZINC000514734360 1024707426 /nfs/dbraw/zinc/70/74/26/1024707426.db2.gz CJRKCIPMEHBUSY-CYBMUJFWSA-N 1 3 340.309 3.617 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000514802293 1024754827 /nfs/dbraw/zinc/75/48/27/1024754827.db2.gz WOHZJPAXSTVFKZ-HNNXBMFYSA-N 1 3 339.321 3.626 20 0 EHADHO COc1cc2c(cc1F)CC[C@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000281369316 1024978458 /nfs/dbraw/zinc/97/84/58/1024978458.db2.gz WMRWJOFUCMHCKS-LJQANCHMSA-N 1 3 328.431 3.673 20 0 EHADHO CCN1CCC([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011797 1025021609 /nfs/dbraw/zinc/02/16/09/1025021609.db2.gz SNDVSTODYSTESX-RMFSNUHRSA-N 1 3 329.532 3.502 20 0 EHADHO c1c2ccccc2[nH]c1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000119726114 1025046914 /nfs/dbraw/zinc/04/69/14/1025046914.db2.gz RAPYJGAWOIHSJM-UHFFFAOYSA-N 1 3 349.478 3.932 20 0 EHADHO CCN1CC[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474492628 1025051695 /nfs/dbraw/zinc/05/16/95/1025051695.db2.gz SIOHTVVKTAFYIY-INIZCTEOSA-N 1 3 328.422 3.960 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000435780785 1025146273 /nfs/dbraw/zinc/14/62/73/1025146273.db2.gz FZSCRZAIXCDZKQ-HZCBDIJESA-N 1 3 349.522 3.864 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346838881 1025229058 /nfs/dbraw/zinc/22/90/58/1025229058.db2.gz RTPBERPEQQNCCF-FFZOFVMBSA-N 1 3 338.499 3.555 20 0 EHADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Oc1cccnc1 ZINC000346854818 1025243058 /nfs/dbraw/zinc/24/30/58/1025243058.db2.gz UOBFYLXDGDHCNO-DFQSSKMNSA-N 1 3 337.467 3.742 20 0 EHADHO CCOc1cc(CN2CCC(C[NH2+]C)CC2)ccc1OCC(C)C ZINC000347039624 1025422262 /nfs/dbraw/zinc/42/22/62/1025422262.db2.gz HPMSRBVEGBSZKN-UHFFFAOYSA-N 1 3 334.504 3.552 20 0 EHADHO CC[NH2+]CC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000347024728 1025430994 /nfs/dbraw/zinc/43/09/94/1025430994.db2.gz RHXHONXSMNRYDS-UHFFFAOYSA-N 1 3 327.447 3.709 20 0 EHADHO c1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc(C2CCCC2)c1 ZINC000657365223 1025532720 /nfs/dbraw/zinc/53/27/20/1025532720.db2.gz YWXJROBTTYSFTD-IBGZPJMESA-N 1 3 342.527 3.935 20 0 EHADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000442870008 1025541593 /nfs/dbraw/zinc/54/15/93/1025541593.db2.gz CLAQGSWOJJWCDM-FQEVSTJZSA-N 1 3 343.515 3.746 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1(C)C ZINC000442874977 1025548542 /nfs/dbraw/zinc/54/85/42/1025548542.db2.gz NGWVKUSBHANFOM-FQEVSTJZSA-N 1 3 329.532 3.534 20 0 EHADHO C[N@@H+]1C[C@@H](CNCc2ccc3ncccc3c2)[C@H](c2ccccc2)C1 ZINC000647248515 1025908764 /nfs/dbraw/zinc/90/87/64/1025908764.db2.gz FAHYNNWPARGFFD-RTWAWAEBSA-N 1 3 331.463 3.670 20 0 EHADHO C[N@H+]1C[C@@H](CNCc2ccc3ncccc3c2)[C@H](c2ccccc2)C1 ZINC000647248515 1025908781 /nfs/dbraw/zinc/90/87/81/1025908781.db2.gz FAHYNNWPARGFFD-RTWAWAEBSA-N 1 3 331.463 3.670 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000237504491 1025909651 /nfs/dbraw/zinc/90/96/51/1025909651.db2.gz COOXIYNFJKSASS-ZIAGYGMSSA-N 1 3 345.314 3.972 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000324500294 1025924807 /nfs/dbraw/zinc/92/48/07/1025924807.db2.gz QVQCUSZMGBXPJZ-SJLPKXTDSA-N 1 3 334.504 3.867 20 0 EHADHO C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)CO1 ZINC000474049272 1026067971 /nfs/dbraw/zinc/06/79/71/1026067971.db2.gz XCTDKCONXIAYSG-DUXKGJEZSA-N 1 3 334.548 3.968 20 0 EHADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)cc(C)c1OC(F)F ZINC000475127136 1026222277 /nfs/dbraw/zinc/22/22/77/1026222277.db2.gz HQBGFQRZGDIGBE-UHFFFAOYSA-N 1 3 338.442 3.965 20 0 EHADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)cc(C)c1OC(F)F ZINC000475127136 1026222292 /nfs/dbraw/zinc/22/22/92/1026222292.db2.gz HQBGFQRZGDIGBE-UHFFFAOYSA-N 1 3 338.442 3.965 20 0 EHADHO COCc1csc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000657428865 1026250817 /nfs/dbraw/zinc/25/08/17/1026250817.db2.gz CGMURTXXVOTOBH-APWZRJJASA-N 1 3 344.524 3.895 20 0 EHADHO CCOCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000582449549 1026289314 /nfs/dbraw/zinc/28/93/14/1026289314.db2.gz HDZPOOVHSJQKMA-VAMGGRTRSA-N 1 3 330.516 3.549 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000582456160 1026317370 /nfs/dbraw/zinc/31/73/70/1026317370.db2.gz DXSZNNCJXIBSJZ-CEWLAPEOSA-N 1 3 330.516 3.693 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000122251325 1026335284 /nfs/dbraw/zinc/33/52/84/1026335284.db2.gz JGJDXIIMWADLMG-WMQCIHAUSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000122251325 1026335296 /nfs/dbraw/zinc/33/52/96/1026335296.db2.gz JGJDXIIMWADLMG-WMQCIHAUSA-N 1 3 348.531 3.873 20 0 EHADHO Fc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000475270108 1026432721 /nfs/dbraw/zinc/43/27/21/1026432721.db2.gz OUTJDHSRTLVKJN-GOSISDBHSA-N 1 3 349.453 3.986 20 0 EHADHO Fc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000475270108 1026432723 /nfs/dbraw/zinc/43/27/23/1026432723.db2.gz OUTJDHSRTLVKJN-GOSISDBHSA-N 1 3 349.453 3.986 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000075007605 1027096453 /nfs/dbraw/zinc/09/64/53/1027096453.db2.gz HJOUMFBNTATTGW-UHFFFAOYSA-N 1 3 348.531 3.797 20 0 EHADHO CC1([NH3+])CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000647925443 1027267030 /nfs/dbraw/zinc/26/70/30/1027267030.db2.gz IULMITKAUPTYLV-UHFFFAOYSA-N 1 3 330.394 3.678 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000420304197 1027454090 /nfs/dbraw/zinc/45/40/90/1027454090.db2.gz LFEXQVWHTFMCGD-YLJYHZDGSA-N 1 3 328.431 3.714 20 0 EHADHO Nc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382873 1027504380 /nfs/dbraw/zinc/50/43/80/1027504380.db2.gz YWMWUZMHRIONBB-IFMALSPDSA-N 1 3 335.495 3.755 20 0 EHADHO Nc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382873 1027504395 /nfs/dbraw/zinc/50/43/95/1027504395.db2.gz YWMWUZMHRIONBB-IFMALSPDSA-N 1 3 335.495 3.755 20 0 EHADHO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501847681 1027584108 /nfs/dbraw/zinc/58/41/08/1027584108.db2.gz AZMQAWASNBYUEK-OAQYLSRUSA-N 1 3 349.538 3.871 20 0 EHADHO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501847681 1027584121 /nfs/dbraw/zinc/58/41/21/1027584121.db2.gz AZMQAWASNBYUEK-OAQYLSRUSA-N 1 3 349.538 3.871 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000501863793 1027618653 /nfs/dbraw/zinc/61/86/53/1027618653.db2.gz PRRIAHMVJRTKPF-MRXNPFEDSA-N 1 3 347.478 3.639 20 0 EHADHO CCc1cccc(F)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612972 1027632288 /nfs/dbraw/zinc/63/22/88/1027632288.db2.gz HIHAKEGZBVDCBJ-UHFFFAOYSA-N 1 3 341.474 3.785 20 0 EHADHO CCCOCc1ccccc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422697645 1027857524 /nfs/dbraw/zinc/85/75/24/1027857524.db2.gz VLUZQGCHNANMSC-HNNXBMFYSA-N 1 3 327.472 3.626 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775376 1027930239 /nfs/dbraw/zinc/93/02/39/1027930239.db2.gz BJBGQGXFEQNDHE-HUUCEWRRSA-N 1 3 327.472 3.529 20 0 EHADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422766063 1027946312 /nfs/dbraw/zinc/94/63/12/1027946312.db2.gz RKIYYDKAEYQHND-MJUUVYJYSA-N 1 3 345.506 3.695 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000422833392 1027975103 /nfs/dbraw/zinc/97/51/03/1027975103.db2.gz GRMGZXFBROIWBM-GDIGMMSISA-N 1 3 327.859 3.653 20 0 EHADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)n1 ZINC000422869549 1028028755 /nfs/dbraw/zinc/02/87/55/1028028755.db2.gz XKGJJIDYHGXBIG-FGZHOGPDSA-N 1 3 346.478 3.766 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(OCC(C)C)c1 ZINC000422904926 1028041233 /nfs/dbraw/zinc/04/12/33/1028041233.db2.gz YJTOUEVCMPOZNF-HNNXBMFYSA-N 1 3 327.472 3.734 20 0 EHADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422951353 1028088311 /nfs/dbraw/zinc/08/83/11/1028088311.db2.gz YGQGAKVNOWWZFX-BBWFWOEESA-N 1 3 342.405 3.595 20 0 EHADHO Clc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422991832 1028100971 /nfs/dbraw/zinc/10/09/71/1028100971.db2.gz BWLNFTWEBYHCMY-PBWFPOADSA-N 1 3 343.696 3.518 20 0 EHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423009426 1028121842 /nfs/dbraw/zinc/12/18/42/1028121842.db2.gz VPCQTMILHVQUHA-RTWAWAEBSA-N 1 3 341.499 3.661 20 0 EHADHO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCC1 ZINC000423032598 1028141703 /nfs/dbraw/zinc/14/17/03/1028141703.db2.gz FRZSISCRZMDQEN-OAHLLOKOSA-N 1 3 339.483 3.630 20 0 EHADHO c1cc2c(s1)CCC[C@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423051408 1028163590 /nfs/dbraw/zinc/16/35/90/1028163590.db2.gz ODCVBDJPBDJOCN-FUHIMQAGSA-N 1 3 340.492 3.971 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423122159 1028190032 /nfs/dbraw/zinc/19/00/32/1028190032.db2.gz JKDSSRDJBBKCTG-AXAPSJFSSA-N 1 3 329.410 3.868 20 0 EHADHO [NH3+]C1CCC(N[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000423230345 1028293376 /nfs/dbraw/zinc/29/33/76/1028293376.db2.gz JAZBIFSCGNOVPV-VMBOVVBDSA-N 1 3 349.272 3.991 20 0 EHADHO FC(F)Oc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423350220 1028382379 /nfs/dbraw/zinc/38/23/79/1028382379.db2.gz YYAIKFBQBNMDNW-IBGZPJMESA-N 1 3 344.405 3.887 20 0 EHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479459 1028461462 /nfs/dbraw/zinc/46/14/62/1028461462.db2.gz VHRCIEVOVRPASM-XHDPSFHLSA-N 1 3 336.277 3.635 20 0 EHADHO COc1ccc(OC)c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423506811 1028472490 /nfs/dbraw/zinc/47/24/90/1028472490.db2.gz PMNXQPDQJHMMDS-DNVCBOLYSA-N 1 3 328.456 3.835 20 0 EHADHO NC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423520583 1028496132 /nfs/dbraw/zinc/49/61/32/1028496132.db2.gz FEEPJWKAWMXJJT-ZNMWDQDHSA-N 1 3 330.438 3.851 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccs1 ZINC000583038121 1028624207 /nfs/dbraw/zinc/62/42/07/1028624207.db2.gz DRIRLQXWCDLDSE-IPMKNSEASA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccs1 ZINC000583038121 1028624217 /nfs/dbraw/zinc/62/42/17/1028624217.db2.gz DRIRLQXWCDLDSE-IPMKNSEASA-N 1 3 343.540 3.776 20 0 EHADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000237485226 1028652738 /nfs/dbraw/zinc/65/27/38/1028652738.db2.gz GDESFNNFCAYDRZ-OAHLLOKOSA-N 1 3 325.456 3.557 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000247113292 1028781853 /nfs/dbraw/zinc/78/18/53/1028781853.db2.gz UBBAWDNEQQTCKN-IAGOWNOFSA-N 1 3 332.488 3.619 20 0 EHADHO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245637059 1028953561 /nfs/dbraw/zinc/95/35/61/1028953561.db2.gz AAEBSVMFULMGRK-QLIIJSOBSA-N 1 3 338.499 3.575 20 0 EHADHO C[C@@H]1CC2(CN1Cc1coc(-c3ccc(F)c(F)c3)n1)CC[NH2+]CC2 ZINC000424284136 1028958603 /nfs/dbraw/zinc/95/86/03/1028958603.db2.gz CRLRVDAKAFTXLW-CYBMUJFWSA-N 1 3 347.409 3.584 20 0 EHADHO CS[C@H]1CN(c2cc(C)nc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000445603064 1028965362 /nfs/dbraw/zinc/96/53/62/1028965362.db2.gz ZYGHZGISTGFECW-OALUTQOASA-N 1 3 327.497 3.559 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]CCNC2CCCCCC2)cc1O ZINC000414799462 1029172248 /nfs/dbraw/zinc/17/22/48/1029172248.db2.gz DRTROFKJAYJTET-MRXNPFEDSA-N 1 3 334.504 3.624 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271873145 1029211090 /nfs/dbraw/zinc/21/10/90/1029211090.db2.gz NFAOKGVROQPNPN-HNNXBMFYSA-N 1 3 341.524 3.955 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271873145 1029211111 /nfs/dbraw/zinc/21/11/11/1029211111.db2.gz NFAOKGVROQPNPN-HNNXBMFYSA-N 1 3 341.524 3.955 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000414807259 1029249716 /nfs/dbraw/zinc/24/97/16/1029249716.db2.gz IWDQKRCERATHJK-IERDGZPVSA-N 1 3 340.467 3.554 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2c(C3CC3)nc3sccn23)cc1 ZINC000414812142 1029317894 /nfs/dbraw/zinc/31/78/94/1029317894.db2.gz QXSAWBFUKHWYSF-GFCCVEGCSA-N 1 3 326.469 3.583 20 0 EHADHO COc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272139499 1029329073 /nfs/dbraw/zinc/32/90/73/1029329073.db2.gz AZOLMPYKHIAEFE-DOTOQJQBSA-N 1 3 330.497 3.757 20 0 EHADHO CCCC[C@@H](C[NH3+])N[C@H](C)Cc1ccc(Br)cc1F ZINC000414816733 1029370788 /nfs/dbraw/zinc/37/07/88/1029370788.db2.gz QIJCTWVDVXATCW-RISCZKNCSA-N 1 3 331.273 3.626 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000272628378 1029541385 /nfs/dbraw/zinc/54/13/85/1029541385.db2.gz AIVLSSOEWDKFPZ-FKBYEOEOSA-N 1 3 335.495 3.514 20 0 EHADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Oc1cccnc1 ZINC000650709193 1030025060 /nfs/dbraw/zinc/02/50/60/1030025060.db2.gz ITSGFHFXECEPSW-RXVVDRJESA-N 1 3 337.467 3.743 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C)cc1 ZINC000090525099 1030137119 /nfs/dbraw/zinc/13/71/19/1030137119.db2.gz PRYLYEYBOLQWRK-HBMCJLEFSA-N 1 3 330.516 3.804 20 0 EHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Br)c(F)c1 ZINC000453374281 1030196535 /nfs/dbraw/zinc/19/65/35/1030196535.db2.gz XFJCHCXMAPZTEI-NDNKKMJESA-N 1 3 341.268 3.864 20 0 EHADHO CCC(C)(C)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453405582 1030215293 /nfs/dbraw/zinc/21/52/93/1030215293.db2.gz JJSCEOVUSFBYKJ-ACDBMABISA-N 1 3 330.516 3.977 20 0 EHADHO CCC(C)(C)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453405582 1030215301 /nfs/dbraw/zinc/21/53/01/1030215301.db2.gz JJSCEOVUSFBYKJ-ACDBMABISA-N 1 3 330.516 3.977 20 0 EHADHO C[N@H+](CCCCN[C@@H](c1ccc(F)cc1)c1ccccn1)C1CC1 ZINC000453407693 1030217400 /nfs/dbraw/zinc/21/74/00/1030217400.db2.gz SGCVWNGXUUTYCU-FQEVSTJZSA-N 1 3 327.447 3.774 20 0 EHADHO C[N@@H+](CCCCN[C@@H](c1ccc(F)cc1)c1ccccn1)C1CC1 ZINC000453407693 1030217419 /nfs/dbraw/zinc/21/74/19/1030217419.db2.gz SGCVWNGXUUTYCU-FQEVSTJZSA-N 1 3 327.447 3.774 20 0 EHADHO Cc1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)o1 ZINC000447582335 1030316856 /nfs/dbraw/zinc/31/68/56/1030316856.db2.gz YZPBQYQMPNTGPV-ACDBMABISA-N 1 3 339.483 3.619 20 0 EHADHO Cc1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)o1 ZINC000447582335 1030316872 /nfs/dbraw/zinc/31/68/72/1030316872.db2.gz YZPBQYQMPNTGPV-ACDBMABISA-N 1 3 339.483 3.619 20 0 EHADHO [NH3+]Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000650753276 1030694074 /nfs/dbraw/zinc/69/40/74/1030694074.db2.gz KITGXDKPCIIGAW-OXQOHEQNSA-N 1 3 328.431 3.542 20 0 EHADHO COc1cncc(/C=C\CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000583931815 1031159223 /nfs/dbraw/zinc/15/92/23/1031159223.db2.gz GYKYIHFTIBYDPG-NLKZZRHLSA-N 1 3 343.515 3.736 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666995432 1031445419 /nfs/dbraw/zinc/44/54/19/1031445419.db2.gz NTUZJLRATBZUTJ-HOCLYGCPSA-N 1 3 349.906 3.630 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000484310092 1031529897 /nfs/dbraw/zinc/52/98/97/1031529897.db2.gz PDBBVWZHAGZMKG-WMZOPIPTSA-N 1 3 330.472 3.954 20 0 EHADHO Cc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000527989170 1031548435 /nfs/dbraw/zinc/54/84/35/1031548435.db2.gz XGEYSBDSJKZDGG-BDTNDASRSA-N 1 3 335.495 3.923 20 0 EHADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000044533370 1033509711 /nfs/dbraw/zinc/50/97/11/1033509711.db2.gz FBZPOXOCHAAWDI-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533370 1033509720 /nfs/dbraw/zinc/50/97/20/1033509720.db2.gz FBZPOXOCHAAWDI-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCOc1ccccc1 ZINC000460353794 1033546842 /nfs/dbraw/zinc/54/68/42/1033546842.db2.gz RFJVIQJTQCMTMA-OALUTQOASA-N 1 3 338.495 3.812 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccncc2s1 ZINC000657918085 1033638149 /nfs/dbraw/zinc/63/81/49/1033638149.db2.gz AMHHDGFVEMDNAT-BZUAXINKSA-N 1 3 347.528 3.836 20 0 EHADHO CCC(CC)[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)N(C)C ZINC000550608419 1033724564 /nfs/dbraw/zinc/72/45/64/1033724564.db2.gz GOLITZYYSJGJAS-HBMCJLEFSA-N 1 3 331.548 3.778 20 0 EHADHO Cc1nc(C)c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658163777 1034025907 /nfs/dbraw/zinc/02/59/07/1034025907.db2.gz AZCJDKASDBSKJO-CQSZACIVSA-N 1 3 344.528 3.718 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)CC2)ccn1 ZINC000658166066 1034029588 /nfs/dbraw/zinc/02/95/88/1034029588.db2.gz MGUVTGQVBKDJIJ-RTWAWAEBSA-N 1 3 327.516 3.852 20 0 EHADHO CN(Cc1ccco1)Cc1ccccc1CNCc1ccc(F)cn1 ZINC000529549907 1034161270 /nfs/dbraw/zinc/16/12/70/1034161270.db2.gz OBKPJHYAJQCXHW-UHFFFAOYSA-N 1 3 339.414 3.736 20 0 EHADHO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1ccc(F)cn1 ZINC000529549907 1034161276 /nfs/dbraw/zinc/16/12/76/1034161276.db2.gz OBKPJHYAJQCXHW-UHFFFAOYSA-N 1 3 339.414 3.736 20 0 EHADHO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ccc(F)cn1 ZINC000529549907 1034161289 /nfs/dbraw/zinc/16/12/89/1034161289.db2.gz OBKPJHYAJQCXHW-UHFFFAOYSA-N 1 3 339.414 3.736 20 0 EHADHO CCN1CCN(c2ccccc2C[N@H+](CC2CC2)C2CCC2)CC1 ZINC000475666474 1034461316 /nfs/dbraw/zinc/46/13/16/1034461316.db2.gz CPVPHCCTKHUOIG-UHFFFAOYSA-N 1 3 327.516 3.593 20 0 EHADHO CCN1CCN(c2ccccc2C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000475666474 1034461328 /nfs/dbraw/zinc/46/13/28/1034461328.db2.gz CPVPHCCTKHUOIG-UHFFFAOYSA-N 1 3 327.516 3.593 20 0 EHADHO CCSc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000186248592 1035611952 /nfs/dbraw/zinc/61/19/52/1035611952.db2.gz PPEURFNYHJVLBG-UHFFFAOYSA-N 1 3 348.556 3.875 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000535085080 1035979911 /nfs/dbraw/zinc/97/99/11/1035979911.db2.gz IKTSWZPUJAADLA-HZPDHXFCSA-N 1 3 336.545 3.632 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC000162511431 1036932172 /nfs/dbraw/zinc/93/21/72/1036932172.db2.gz YTNUMSZSSOZAAH-CQSZACIVSA-N 1 3 334.410 3.756 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000423295928 1037204935 /nfs/dbraw/zinc/20/49/35/1037204935.db2.gz XURMFQMCJQOZDG-ACJLOTCBSA-N 1 3 326.440 3.501 20 0 EHADHO Cc1cc(N2CCN([C@H](C)Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001168194116 1037232998 /nfs/dbraw/zinc/23/29/98/1037232998.db2.gz SLDVIVHMMFWKHT-MRXNPFEDSA-N 1 3 329.875 3.797 20 0 EHADHO CC[NH+]1CCC(CN[C@H](C)c2ccccc2Br)CC1 ZINC000044517504 1037358064 /nfs/dbraw/zinc/35/80/64/1037358064.db2.gz BVNXGIMZFOJCTO-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO COc1cc(C)ccc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000532476110 1037478606 /nfs/dbraw/zinc/47/86/06/1037478606.db2.gz FRIXIYYOWYNBAF-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@H]1C[C@@H](NCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133230 1037795614 /nfs/dbraw/zinc/79/56/14/1037795614.db2.gz RPQGEFLRBMYXEU-HKUYNNGSSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]1C[C@@H](NCCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133230 1037795628 /nfs/dbraw/zinc/79/56/28/1037795628.db2.gz RPQGEFLRBMYXEU-HKUYNNGSSA-N 1 3 342.458 3.847 20 0 EHADHO Cc1cc([C@@H](NCCC2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000542473572 1037864070 /nfs/dbraw/zinc/86/40/70/1037864070.db2.gz LFNAXPPGQHOCKG-OAQYLSRUSA-N 1 3 341.474 3.940 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000479851486 1038786166 /nfs/dbraw/zinc/78/61/66/1038786166.db2.gz LECDYPRPCJDALJ-PZJWPPBQSA-N 1 3 343.559 3.751 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@](C)(O)C3CCCCC3)CC2)C1 ZINC000477869578 1039001980 /nfs/dbraw/zinc/00/19/80/1039001980.db2.gz XZPHKWLDNRGUNN-DUXKGJEZSA-N 1 3 336.564 3.950 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552251253 1039099831 /nfs/dbraw/zinc/09/98/31/1039099831.db2.gz PPGLUIFDTODVTM-FDFHNCONSA-N 1 3 337.511 3.806 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552251253 1039099848 /nfs/dbraw/zinc/09/98/48/1039099848.db2.gz PPGLUIFDTODVTM-FDFHNCONSA-N 1 3 337.511 3.806 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)c1OC ZINC000552234884 1039100505 /nfs/dbraw/zinc/10/05/05/1039100505.db2.gz WEBWDQLMLWFUCT-DOTOQJQBSA-N 1 3 334.504 3.785 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480671164 1039863307 /nfs/dbraw/zinc/86/33/07/1039863307.db2.gz QZVHXBQSDPRACQ-XLNGHYISSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480671164 1039863338 /nfs/dbraw/zinc/86/33/38/1039863338.db2.gz QZVHXBQSDPRACQ-XLNGHYISSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480671164 1039863365 /nfs/dbraw/zinc/86/33/65/1039863365.db2.gz QZVHXBQSDPRACQ-XLNGHYISSA-N 1 3 326.406 3.685 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554881852 1039901853 /nfs/dbraw/zinc/90/18/53/1039901853.db2.gz FOLHEZQXQWLUOX-ROUUACIJSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554881852 1039901870 /nfs/dbraw/zinc/90/18/70/1039901870.db2.gz FOLHEZQXQWLUOX-ROUUACIJSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000554881852 1039901883 /nfs/dbraw/zinc/90/18/83/1039901883.db2.gz FOLHEZQXQWLUOX-ROUUACIJSA-N 1 3 345.531 3.847 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000480750652 1039970526 /nfs/dbraw/zinc/97/05/26/1039970526.db2.gz SSWIPJQUCJBCAO-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000480750652 1039970541 /nfs/dbraw/zinc/97/05/41/1039970541.db2.gz SSWIPJQUCJBCAO-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc1OC ZINC000246044341 1040241535 /nfs/dbraw/zinc/24/15/35/1040241535.db2.gz OIJZETCDNZRDNH-ABSDTBQOSA-N 1 3 348.531 3.739 20 0 EHADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030746 1040275611 /nfs/dbraw/zinc/27/56/11/1040275611.db2.gz BITAPKYYRNMTMK-FUHWJXTLSA-N 1 3 348.556 3.829 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN([C@@H]3C[C@H]3c3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000411213147 1040563214 /nfs/dbraw/zinc/56/32/14/1040563214.db2.gz BXNZYVMUNJQXPI-WWEWDKITSA-N 1 3 346.490 3.503 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651753631 1041996381 /nfs/dbraw/zinc/99/63/81/1041996381.db2.gz ZENASJURFCODCC-FXAWDEMLSA-N 1 3 341.499 3.756 20 0 EHADHO CC1CC[NH+](Cc2ccc(NC(=O)C3(NC4CC4)CCC3)cc2)CC1 ZINC000662676579 1042824794 /nfs/dbraw/zinc/82/47/94/1042824794.db2.gz YKQOFBKMCCWBPE-UHFFFAOYSA-N 1 3 341.499 3.532 20 0 EHADHO COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1Cl ZINC000925774752 1042873133 /nfs/dbraw/zinc/87/31/33/1042873133.db2.gz CFITVEAZEHTCIR-YPMHNXCESA-N 1 3 332.822 3.552 20 0 EHADHO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663499004 1042948453 /nfs/dbraw/zinc/94/84/53/1042948453.db2.gz UDSUVHMBOUGOAW-WIHSUSGWSA-N 1 3 337.305 3.502 20 0 EHADHO CCCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432424269 1043165133 /nfs/dbraw/zinc/16/51/33/1043165133.db2.gz NRBCPJJFCLNUSF-ZWKOTPCHSA-N 1 3 334.504 3.627 20 0 EHADHO CCCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432424269 1043165140 /nfs/dbraw/zinc/16/51/40/1043165140.db2.gz NRBCPJJFCLNUSF-ZWKOTPCHSA-N 1 3 334.504 3.627 20 0 EHADHO C/C(=C\c1ccccc1)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512183670 1043738047 /nfs/dbraw/zinc/73/80/47/1043738047.db2.gz VXMLSONRJKELLH-RDAIKCOWSA-N 1 3 342.527 3.911 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@H](C)C1 ZINC000279524181 1044180809 /nfs/dbraw/zinc/18/08/09/1044180809.db2.gz OPOOYRKSWLKIMO-CRAIPNDOSA-N 1 3 343.446 3.833 20 0 EHADHO CC(C)[C@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000279582067 1044251645 /nfs/dbraw/zinc/25/16/45/1044251645.db2.gz GWJLEJORHQBUGW-VXKWHMMOSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)[C@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000279582067 1044251655 /nfs/dbraw/zinc/25/16/55/1044251655.db2.gz GWJLEJORHQBUGW-VXKWHMMOSA-N 1 3 343.559 3.528 20 0 EHADHO C[NH+](C)Cc1cccc(NC(=O)c2ccc(Nc3ccncc3)cc2)c1 ZINC000344680710 1044282168 /nfs/dbraw/zinc/28/21/68/1044282168.db2.gz YQMOOALBOAPTNG-UHFFFAOYSA-N 1 3 346.434 3.561 20 0 EHADHO CC(C)CCOCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432672219 1044700429 /nfs/dbraw/zinc/70/04/29/1044700429.db2.gz SXFWKIPBLMSZSS-SFHVURJKSA-N 1 3 336.545 3.755 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905096 1044839180 /nfs/dbraw/zinc/83/91/80/1044839180.db2.gz LNHWXKDMRZWBHJ-BRWVUGGUSA-N 1 3 334.504 3.517 20 0 EHADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-c2ccccc2)o1 ZINC000154431961 1125718302 /nfs/dbraw/zinc/71/83/02/1125718302.db2.gz NNYYPVPUFNZKDU-SFHVURJKSA-N 1 3 341.499 3.625 20 0 EHADHO CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCN(C)C(C)(C)C2)CCC1 ZINC000623538552 1126979396 /nfs/dbraw/zinc/97/93/96/1126979396.db2.gz JHXQZPHPVWWTMT-IBGZPJMESA-N 1 3 329.532 3.504 20 0 EHADHO CC(C)(C)N1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000177939283 1127003081 /nfs/dbraw/zinc/00/30/81/1127003081.db2.gz SOIQLRXIUJHYHG-HXUWFJFHSA-N 1 3 344.499 3.761 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000180803790 1127187569 /nfs/dbraw/zinc/18/75/69/1127187569.db2.gz KBCWGXQGOMQQIM-UHFFFAOYSA-N 1 3 341.499 3.856 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000623899069 1127209344 /nfs/dbraw/zinc/20/93/44/1127209344.db2.gz ZPSPWTDSNJMJDE-VNHYZAJKSA-N 1 3 325.294 3.891 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000623899069 1127209348 /nfs/dbraw/zinc/20/93/48/1127209348.db2.gz ZPSPWTDSNJMJDE-VNHYZAJKSA-N 1 3 325.294 3.891 20 0 EHADHO CCC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000185054830 1127419329 /nfs/dbraw/zinc/41/93/29/1127419329.db2.gz ORGRZQZSIKANAT-HXUWFJFHSA-N 1 3 327.472 3.653 20 0 EHADHO COCc1cccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381355291 1127483624 /nfs/dbraw/zinc/48/36/24/1127483624.db2.gz NJCOHELHXDPCEU-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355291 1127483627 /nfs/dbraw/zinc/48/36/27/1127483627.db2.gz NJCOHELHXDPCEU-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000381355291 1127483630 /nfs/dbraw/zinc/48/36/30/1127483630.db2.gz NJCOHELHXDPCEU-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO CSC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000381781109 1127492826 /nfs/dbraw/zinc/49/28/26/1127492826.db2.gz ZOCSJOZIOFMOAN-GUDVDZBRSA-N 1 3 330.541 3.772 20 0 EHADHO CCCN(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764422 1128252581 /nfs/dbraw/zinc/25/25/81/1128252581.db2.gz DMYVVSZRXAFOKG-XUVXKRRUSA-N 1 3 349.950 3.939 20 0 EHADHO CCCN(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764422 1128252584 /nfs/dbraw/zinc/25/25/84/1128252584.db2.gz DMYVVSZRXAFOKG-XUVXKRRUSA-N 1 3 349.950 3.939 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc([S@@](C)=O)cc1 ZINC000085298906 1128420972 /nfs/dbraw/zinc/42/09/72/1128420972.db2.gz RZBUMEURZNNJKV-DEOSSOPVSA-N 1 3 344.524 3.556 20 0 EHADHO Cc1ccc([C@@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000191505167 1120676186 /nfs/dbraw/zinc/67/61/86/1120676186.db2.gz KREDGSYYMVFHIB-FQEVSTJZSA-N 1 3 347.547 3.921 20 0 EHADHO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000191505167 1120676188 /nfs/dbraw/zinc/67/61/88/1120676188.db2.gz KREDGSYYMVFHIB-FQEVSTJZSA-N 1 3 347.547 3.921 20 0 EHADHO CC[C@H](C)[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192719208 1120744754 /nfs/dbraw/zinc/74/47/54/1120744754.db2.gz KTJFADGNVBSOAC-FQEVSTJZSA-N 1 3 331.548 3.703 20 0 EHADHO CC[C@H](C)[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192719208 1120744758 /nfs/dbraw/zinc/74/47/58/1120744758.db2.gz KTJFADGNVBSOAC-FQEVSTJZSA-N 1 3 331.548 3.703 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891872 1120893825 /nfs/dbraw/zinc/89/38/25/1120893825.db2.gz QXAIIFJQIDRGBY-AEFFLSMTSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891872 1120893828 /nfs/dbraw/zinc/89/38/28/1120893828.db2.gz QXAIIFJQIDRGBY-AEFFLSMTSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCc2ccc(Br)cc21 ZINC000356681319 1128995114 /nfs/dbraw/zinc/99/51/14/1128995114.db2.gz PLXIZWMLRRUXAF-BLLLJJGKSA-N 1 3 325.294 3.756 20 0 EHADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000316655436 1121595325 /nfs/dbraw/zinc/59/53/25/1121595325.db2.gz RNXUEFPXFVWZLL-CQSZACIVSA-N 1 3 346.302 3.627 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000397514208 1121765404 /nfs/dbraw/zinc/76/54/04/1121765404.db2.gz QQENOGVHUVJUJY-QGZVFWFLSA-N 1 3 342.458 3.503 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000556232892 1122885719 /nfs/dbraw/zinc/88/57/19/1122885719.db2.gz LMJHSCISTKLELV-ZFMNYDKASA-N 1 3 342.527 3.549 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556238603 1122891199 /nfs/dbraw/zinc/89/11/99/1122891199.db2.gz CEYFMDZTZQSUSO-DXBBTUNJSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000556924587 1123212760 /nfs/dbraw/zinc/21/27/60/1123212760.db2.gz UHQKXQAMWZCXBD-GOEBONIOSA-N 1 3 326.406 3.829 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000134165045 1123497437 /nfs/dbraw/zinc/49/74/37/1123497437.db2.gz ACSOHTJQWKQGIB-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000134165045 1123497438 /nfs/dbraw/zinc/49/74/38/1123497438.db2.gz ACSOHTJQWKQGIB-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO COc1ccc(-c2cc(CN3CCC(CC[NH+](C)C)CC3)on2)cc1 ZINC000615462747 1123807930 /nfs/dbraw/zinc/80/79/30/1123807930.db2.gz KXNURENWTZKWCN-UHFFFAOYSA-N 1 3 343.471 3.514 20 0 EHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2ccccc2n1C ZINC000246016511 1124000422 /nfs/dbraw/zinc/00/04/22/1124000422.db2.gz KYLZCFNISZKTRF-KZNAEPCWSA-N 1 3 342.531 3.982 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246456489 1124471606 /nfs/dbraw/zinc/47/16/06/1124471606.db2.gz FESUDMINQADNPZ-ICSRJNTNSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246456489 1124471611 /nfs/dbraw/zinc/47/16/11/1124471611.db2.gz FESUDMINQADNPZ-ICSRJNTNSA-N 1 3 328.500 3.713 20 0 EHADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247168798 1124591926 /nfs/dbraw/zinc/59/19/26/1124591926.db2.gz YIFJXODWBVCNAP-KZNAEPCWSA-N 1 3 336.495 3.626 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000248043603 1124636864 /nfs/dbraw/zinc/63/68/64/1124636864.db2.gz UKBRVKOQKHEFGH-GBESFXJTSA-N 1 3 349.588 3.841 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000248043603 1124636871 /nfs/dbraw/zinc/63/68/71/1124636871.db2.gz UKBRVKOQKHEFGH-GBESFXJTSA-N 1 3 349.588 3.841 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248854100 1124708502 /nfs/dbraw/zinc/70/85/02/1124708502.db2.gz QPUOUZFNMJZUAC-DFQSSKMNSA-N 1 3 332.532 3.817 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248854100 1124708510 /nfs/dbraw/zinc/70/85/10/1124708510.db2.gz QPUOUZFNMJZUAC-DFQSSKMNSA-N 1 3 332.532 3.817 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C3CCC3)C1)C2 ZINC000248967503 1124723387 /nfs/dbraw/zinc/72/33/87/1124723387.db2.gz CSPWIBMKOPMRNT-WDSOQIARSA-N 1 3 342.527 3.795 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353596404 1124954304 /nfs/dbraw/zinc/95/43/04/1124954304.db2.gz QRXVLVXGKDOGPU-QUCCMNQESA-N 1 3 338.499 3.677 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000353596404 1124954305 /nfs/dbraw/zinc/95/43/05/1124954305.db2.gz QRXVLVXGKDOGPU-QUCCMNQESA-N 1 3 338.499 3.677 20 0 EHADHO C[NH2+]CCC1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000070188972 1125238442 /nfs/dbraw/zinc/23/84/42/1125238442.db2.gz PHZKWFLCGYZIEJ-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182872880 1125386872 /nfs/dbraw/zinc/38/68/72/1125386872.db2.gz PNBGYLBXZUNMHH-LPHOPBHVSA-N 1 3 332.488 3.511 20 0 EHADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000262026373 1125397024 /nfs/dbraw/zinc/39/70/24/1125397024.db2.gz YHXLNHTZQIDWIH-CYBMUJFWSA-N 1 3 344.286 3.525 20 0 EHADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182959534 1125407681 /nfs/dbraw/zinc/40/76/81/1125407681.db2.gz CVULZUSPWHGWOT-ABSDTBQOSA-N 1 3 348.531 3.739 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000479071209 1129340188 /nfs/dbraw/zinc/34/01/88/1129340188.db2.gz RCGLJYCXEJBUHS-APWZRJJASA-N 1 3 334.504 3.647 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000922504345 1129556410 /nfs/dbraw/zinc/55/64/10/1129556410.db2.gz MNSSAOMPVSCGMK-UHFFFAOYSA-N 1 3 336.911 3.827 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000509091524 1129738147 /nfs/dbraw/zinc/73/81/47/1129738147.db2.gz AFNLUCVXFAAZAJ-UHFFFAOYSA-N 1 3 333.520 3.813 20 0 EHADHO CCC1(O)CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000702958078 1130261995 /nfs/dbraw/zinc/26/19/95/1130261995.db2.gz HVTSGOGXQKXWPO-SCYNCJNCSA-N 1 3 342.527 3.570 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883326 1131552641 /nfs/dbraw/zinc/55/26/41/1131552641.db2.gz NLWKZWQYTAUFQQ-FUHWJXTLSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@@H]1C ZINC000740883326 1131552643 /nfs/dbraw/zinc/55/26/43/1131552643.db2.gz NLWKZWQYTAUFQQ-FUHWJXTLSA-N 1 3 342.483 3.714 20 0 EHADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C2)cc1 ZINC001172555106 1131768417 /nfs/dbraw/zinc/76/84/17/1131768417.db2.gz GBNQVSKECJBVBS-XRXFAXGQSA-N 1 3 328.500 3.556 20 0 EHADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173073785 1131955315 /nfs/dbraw/zinc/95/53/15/1131955315.db2.gz QPAJSXDBJPGZBO-CQSZACIVSA-N 1 3 332.410 3.838 20 0 EHADHO C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000386332208 1132504582 /nfs/dbraw/zinc/50/45/82/1132504582.db2.gz MNMLMRRQLKLNSW-YYWHXJBOSA-N 1 3 335.495 3.959 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccncc1 ZINC000509455340 1132570306 /nfs/dbraw/zinc/57/03/06/1132570306.db2.gz POJLDEJYVVMLQE-AVKJRPAMSA-N 1 3 335.495 3.985 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccncc1 ZINC000509455340 1132570312 /nfs/dbraw/zinc/57/03/12/1132570312.db2.gz POJLDEJYVVMLQE-AVKJRPAMSA-N 1 3 335.495 3.985 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094420 1132653695 /nfs/dbraw/zinc/65/36/95/1132653695.db2.gz LKDQPZOIHQNSMG-LJCCNALRSA-N 1 3 347.934 3.692 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H](c1ccccc1Cl)N1CCCC1)C2 ZINC001169094420 1132653699 /nfs/dbraw/zinc/65/36/99/1132653699.db2.gz LKDQPZOIHQNSMG-LJCCNALRSA-N 1 3 347.934 3.692 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001169122589 1132663555 /nfs/dbraw/zinc/66/35/55/1132663555.db2.gz ATTIIXJQESDGEE-JJTUDDRGSA-N 1 3 335.289 3.520 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1ccc(Br)cc1)C2 ZINC001169122589 1132663560 /nfs/dbraw/zinc/66/35/60/1132663560.db2.gz ATTIIXJQESDGEE-JJTUDDRGSA-N 1 3 335.289 3.520 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162985 1132684410 /nfs/dbraw/zinc/68/44/10/1132684410.db2.gz WAZHXMHJGZIBDA-WCLQXYBISA-N 1 3 328.475 3.731 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162985 1132684415 /nfs/dbraw/zinc/68/44/15/1132684415.db2.gz WAZHXMHJGZIBDA-WCLQXYBISA-N 1 3 328.475 3.731 20 0 EHADHO C[NH+](C)CCc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175506569 1132694010 /nfs/dbraw/zinc/69/40/10/1132694010.db2.gz GSYNQZNBLSMYKZ-UHFFFAOYSA-N 1 3 335.495 3.992 20 0 EHADHO CC[NH+]1CCC(N[C@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001169240484 1132707864 /nfs/dbraw/zinc/70/78/64/1132707864.db2.gz JIAIBAJHRFODLO-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001176144463 1132844027 /nfs/dbraw/zinc/84/40/27/1132844027.db2.gz FXCQSJLQRRZAAR-KRWDZBQOSA-N 1 3 338.499 3.590 20 0 EHADHO c1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc2c1COC2 ZINC000768303567 1133122534 /nfs/dbraw/zinc/12/25/34/1133122534.db2.gz RBFJWIFUOISACT-UHFFFAOYSA-N 1 3 328.500 3.805 20 0 EHADHO FC(F)C1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000769553387 1133314290 /nfs/dbraw/zinc/31/42/90/1133314290.db2.gz HJHSCKINPZLOCD-TXQZXFLYSA-N 1 3 334.454 3.920 20 0 EHADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534531 1133498181 /nfs/dbraw/zinc/49/81/81/1133498181.db2.gz MGGRYHJRAKUGQI-IRXDYDNUSA-N 1 3 326.406 3.708 20 0 EHADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001181534531 1133498185 /nfs/dbraw/zinc/49/81/85/1133498185.db2.gz MGGRYHJRAKUGQI-IRXDYDNUSA-N 1 3 326.406 3.708 20 0 EHADHO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC001182370053 1133645840 /nfs/dbraw/zinc/64/58/40/1133645840.db2.gz PZYAXEXVDIQKQG-RXVVDRJESA-N 1 3 330.516 3.899 20 0 EHADHO CC(C)(C)[C@@]1(C[NH2+]C[C@@H]2CCCO2)CCN(Cc2ccccc2)C1 ZINC001182864856 1133741216 /nfs/dbraw/zinc/74/12/16/1133741216.db2.gz NNXWXEVALWFLCT-PZJWPPBQSA-N 1 3 330.516 3.693 20 0 EHADHO CO[C@@]1(C)C[C@H]1NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001183000264 1133755991 /nfs/dbraw/zinc/75/59/91/1133755991.db2.gz MCCODBZQGILCJL-GIVPXCGWSA-N 1 3 330.516 3.692 20 0 EHADHO CO[C@@]1(C)C[C@H]1NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183000264 1133755994 /nfs/dbraw/zinc/75/59/94/1133755994.db2.gz MCCODBZQGILCJL-GIVPXCGWSA-N 1 3 330.516 3.692 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCCCC2 ZINC001183094870 1133768723 /nfs/dbraw/zinc/76/87/23/1133768723.db2.gz LYKQDAZYOAAYBQ-SLFFLAALSA-N 1 3 334.548 3.826 20 0 EHADHO CN(CCC[NH2+][C@H]1CCc2ccc(Cl)nc21)Cc1ccccc1 ZINC000788509406 1134135243 /nfs/dbraw/zinc/13/52/43/1134135243.db2.gz XNRWXABAGKYRBC-KRWDZBQOSA-N 1 3 329.875 3.834 20 0 EHADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134906 1134410727 /nfs/dbraw/zinc/41/07/27/1134410727.db2.gz DUSQKDHKQYTTAA-BRKWEVRTSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134906 1134410729 /nfs/dbraw/zinc/41/07/29/1134410729.db2.gz DUSQKDHKQYTTAA-BRKWEVRTSA-N 1 3 346.559 3.636 20 0 EHADHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CCO1 ZINC001170191946 1134703096 /nfs/dbraw/zinc/70/30/96/1134703096.db2.gz CZFDZCLACLXTKF-RBUKOAKNSA-N 1 3 334.479 3.585 20 0 EHADHO CC[C@@H]1C[C@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CCO1 ZINC001170207875 1134706831 /nfs/dbraw/zinc/70/68/31/1134706831.db2.gz NHSXZEKIINUKOQ-QZTJIDSGSA-N 1 3 339.483 3.623 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1OC ZINC000775391199 1134715128 /nfs/dbraw/zinc/71/51/28/1134715128.db2.gz CDOLOJFCZLFLMB-XYJFISCASA-N 1 3 334.504 3.613 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1CN1CCCCC1 ZINC000775413263 1134756307 /nfs/dbraw/zinc/75/63/07/1134756307.db2.gz ZPMGOTGNPBIHJH-YJBOKZPZSA-N 1 3 334.529 3.837 20 0 EHADHO c1[nH]nc2c1cccc2CNCc1ccccc1C[NH+]1CCCCC1 ZINC000083998927 1135736957 /nfs/dbraw/zinc/73/69/57/1135736957.db2.gz DMGKAFWERLWILD-UHFFFAOYSA-N 1 3 334.467 3.839 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2nccc3c2CCCC3)C1 ZINC001199321362 1135897393 /nfs/dbraw/zinc/89/73/93/1135897393.db2.gz WJTQVJUHNUIBJS-QZTJIDSGSA-N 1 3 329.532 3.808 20 0 EHADHO CCCN1CCc2c(N)sc(Nc3cccc(C[NH+](C)C)c3)c2C1 ZINC001201396172 1136012015 /nfs/dbraw/zinc/01/20/15/1136012015.db2.gz JHLFDYCPYZOLBQ-UHFFFAOYSA-N 1 3 344.528 3.904 20 0 EHADHO CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201730427 1136056415 /nfs/dbraw/zinc/05/64/15/1136056415.db2.gz IJJZMTKPGQQZFI-RTWAWAEBSA-N 1 3 334.548 3.637 20 0 EHADHO CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201730427 1136056417 /nfs/dbraw/zinc/05/64/17/1136056417.db2.gz IJJZMTKPGQQZFI-RTWAWAEBSA-N 1 3 334.548 3.637 20 0 EHADHO CCCCC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201731926 1136061780 /nfs/dbraw/zinc/06/17/80/1136061780.db2.gz YIJPBMPHOCNHAI-QGZVFWFLSA-N 1 3 336.545 3.994 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811475293 1136095561 /nfs/dbraw/zinc/09/55/61/1136095561.db2.gz ZSWBWVSUTRRJCM-ZDUSSCGKSA-N 1 3 330.303 3.990 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811475293 1136095564 /nfs/dbraw/zinc/09/55/64/1136095564.db2.gz ZSWBWVSUTRRJCM-ZDUSSCGKSA-N 1 3 330.303 3.990 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850509773 1136274066 /nfs/dbraw/zinc/27/40/66/1136274066.db2.gz SIXGGSUNBKUNJS-OXQOHEQNSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850509773 1136274068 /nfs/dbraw/zinc/27/40/68/1136274068.db2.gz SIXGGSUNBKUNJS-OXQOHEQNSA-N 1 3 342.458 3.552 20 0 EHADHO C[C@@H]([NH2+]CCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850569835 1136288252 /nfs/dbraw/zinc/28/82/52/1136288252.db2.gz CIUXPQPIXNYAIY-WBVHZDCISA-N 1 3 336.570 3.683 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000856559455 1136794985 /nfs/dbraw/zinc/79/49/85/1136794985.db2.gz ONOSEKHZLTUYFX-HXUWFJFHSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000856559455 1136794986 /nfs/dbraw/zinc/79/49/86/1136794986.db2.gz ONOSEKHZLTUYFX-HXUWFJFHSA-N 1 3 331.504 3.565 20 0 EHADHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817905483 1136845254 /nfs/dbraw/zinc/84/52/54/1136845254.db2.gz NZKSWIHPDSOBGJ-JBCQCRMPSA-N 1 3 334.479 3.538 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Br)nc1 ZINC000817962367 1136852215 /nfs/dbraw/zinc/85/22/15/1136852215.db2.gz IJWPXJKBTZNOAB-NWDGAFQWSA-N 1 3 334.261 3.715 20 0 EHADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C[C@H]2C1 ZINC000818330142 1136870749 /nfs/dbraw/zinc/87/07/49/1136870749.db2.gz OBASGCNKZVTLHY-GHSBBIOCSA-N 1 3 334.548 3.824 20 0 EHADHO CC[C@@H](C)c1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000818339906 1136872065 /nfs/dbraw/zinc/87/20/65/1136872065.db2.gz FXCABCIWUWMLPF-SJORKVTESA-N 1 3 343.515 3.603 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)c1c(F)cccc1F ZINC000818962777 1136891762 /nfs/dbraw/zinc/89/17/62/1136891762.db2.gz YHPVGYZFXAWTSE-IBGZPJMESA-N 1 3 348.437 3.628 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)c1c(F)cccc1F ZINC000818962777 1136891765 /nfs/dbraw/zinc/89/17/65/1136891765.db2.gz YHPVGYZFXAWTSE-IBGZPJMESA-N 1 3 348.437 3.628 20 0 EHADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015223 1136931675 /nfs/dbraw/zinc/93/16/75/1136931675.db2.gz SZHDFZPLRNJYLC-PMACEKPBSA-N 1 3 343.515 3.677 20 0 EHADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015223 1136931677 /nfs/dbraw/zinc/93/16/77/1136931677.db2.gz SZHDFZPLRNJYLC-PMACEKPBSA-N 1 3 343.515 3.677 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2ccnc(CO)c2)C1 ZINC000858351529 1136960623 /nfs/dbraw/zinc/96/06/23/1136960623.db2.gz QPSJSCUHSJQBFF-IRXDYDNUSA-N 1 3 339.483 3.664 20 0 EHADHO OCc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)ccn1 ZINC000858372770 1136962581 /nfs/dbraw/zinc/96/25/81/1136962581.db2.gz SVUPZKVGOCIWIO-UHFFFAOYSA-N 1 3 325.456 3.562 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000858537032 1136976941 /nfs/dbraw/zinc/97/69/41/1136976941.db2.gz ARCVHAWTFDBALM-YESZJQIVSA-N 1 3 333.426 3.999 20 0 EHADHO C[N@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000858537032 1136976944 /nfs/dbraw/zinc/97/69/44/1136976944.db2.gz ARCVHAWTFDBALM-YESZJQIVSA-N 1 3 333.426 3.999 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1CN1CCCCC1 ZINC000777120626 1137029013 /nfs/dbraw/zinc/02/90/13/1137029013.db2.gz JUIYPYNSTOKEFH-KRWDZBQOSA-N 1 3 346.515 3.901 20 0 EHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000823671908 1137109210 /nfs/dbraw/zinc/10/92/10/1137109210.db2.gz XIJYCJWEIXEHBW-MRXNPFEDSA-N 1 3 343.902 3.920 20 0 EHADHO C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246346293 1137149962 /nfs/dbraw/zinc/14/99/62/1137149962.db2.gz IRURASSWNHFDNA-JSGCOSHPSA-N 1 3 325.294 3.500 20 0 EHADHO C[C@@H](Cc1ccccc1Br)N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246346293 1137149963 /nfs/dbraw/zinc/14/99/63/1137149963.db2.gz IRURASSWNHFDNA-JSGCOSHPSA-N 1 3 325.294 3.500 20 0 EHADHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001171087405 1137176670 /nfs/dbraw/zinc/17/66/70/1137176670.db2.gz QIMVFHPMJDBMIY-DDUZABMNSA-N 1 3 339.310 3.734 20 0 EHADHO COc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1C(F)(F)F ZINC001143644869 1137186090 /nfs/dbraw/zinc/18/60/90/1137186090.db2.gz LDLLQIAOOAKGCE-UHFFFAOYSA-N 1 3 342.405 3.632 20 0 EHADHO Cc1c(O)cccc1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001144117532 1137240079 /nfs/dbraw/zinc/24/00/79/1137240079.db2.gz FXVQTLZNXKRJMQ-UHFFFAOYSA-N 1 3 336.479 3.799 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1cc(C)c(OC(F)F)c(C)c1 ZINC000844905243 1137261467 /nfs/dbraw/zinc/26/14/67/1137261467.db2.gz WPGBNSTYCNLCIF-UHFFFAOYSA-N 1 3 334.410 3.914 20 0 EHADHO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866563556 1137364732 /nfs/dbraw/zinc/36/47/32/1137364732.db2.gz NHXXIXAOGWLPPH-LEDOBFOHSA-N 1 3 349.522 3.673 20 0 EHADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000867987541 1137392561 /nfs/dbraw/zinc/39/25/61/1137392561.db2.gz NCXRZCCRJVLJOU-UZLBHIALSA-N 1 3 349.478 3.504 20 0 EHADHO Fc1cc(F)c2c(c1)C[C@@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001171354069 1137456858 /nfs/dbraw/zinc/45/68/58/1137456858.db2.gz JTEOXGCGVDJPAR-DLBZAZTESA-N 1 3 334.454 3.819 20 0 EHADHO Fc1cc(F)c2c(c1)C[C@@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001171354069 1137456859 /nfs/dbraw/zinc/45/68/59/1137456859.db2.gz JTEOXGCGVDJPAR-DLBZAZTESA-N 1 3 334.454 3.819 20 0 EHADHO CCSC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716628171 1137487931 /nfs/dbraw/zinc/48/79/31/1137487931.db2.gz VHOPEPWNZSQHMK-FHWLQOOXSA-N 1 3 330.541 3.915 20 0 EHADHO Oc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000716650191 1137487965 /nfs/dbraw/zinc/48/79/65/1137487965.db2.gz LZQKGIDOSXMASH-HBMCJLEFSA-N 1 3 336.479 3.577 20 0 EHADHO Cc1nc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cs1 ZINC000716702689 1137488691 /nfs/dbraw/zinc/48/86/91/1137488691.db2.gz UWEWSJJDMYEJFS-SXLOBPIMSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1nc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cs1 ZINC000716702689 1137488692 /nfs/dbraw/zinc/48/86/92/1137488692.db2.gz UWEWSJJDMYEJFS-SXLOBPIMSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1nc(CCN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cs1 ZINC000716702689 1137488693 /nfs/dbraw/zinc/48/86/93/1137488693.db2.gz UWEWSJJDMYEJFS-SXLOBPIMSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1cccc2c1CC[C@@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001171558552 1137497757 /nfs/dbraw/zinc/49/77/57/1137497757.db2.gz LPCRKAOFFMMKCW-HXUWFJFHSA-N 1 3 338.470 3.941 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(O)(Cc3ccccc3)CC2)CC1(C)C ZINC001171628927 1137499443 /nfs/dbraw/zinc/49/94/43/1137499443.db2.gz MQNIYZNLZMYKGZ-UHFFFAOYSA-N 1 3 344.543 3.707 20 0 EHADHO CC1(C)C[C@H]([NH+]2CC3(C2)C[C@H](F)CS3)CCN1Cc1ccccc1 ZINC001171988871 1137522317 /nfs/dbraw/zinc/52/23/17/1137522317.db2.gz WVCSTRRCOGTUPW-ZWKOTPCHSA-N 1 3 348.531 3.959 20 0 EHADHO CC1(C)C[C@H](NCCOC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001171970499 1137523750 /nfs/dbraw/zinc/52/37/50/1137523750.db2.gz CKLGPUPQSCEASP-OAHLLOKOSA-N 1 3 330.394 3.556 20 0 EHADHO CC1(C)C[C@H](NCCOC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171970499 1137523752 /nfs/dbraw/zinc/52/37/52/1137523752.db2.gz CKLGPUPQSCEASP-OAHLLOKOSA-N 1 3 330.394 3.556 20 0 EHADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CO)CCN1Cc1ccccc1 ZINC001171972642 1137523953 /nfs/dbraw/zinc/52/39/53/1137523953.db2.gz RVUBLCHQWLVCNI-OAQYLSRUSA-N 1 3 338.495 3.712 20 0 EHADHO CC1(C)C[C@@H]([NH+]2CCC3(COC3)CC2)CCN1Cc1ccccc1 ZINC001171976259 1137525446 /nfs/dbraw/zinc/52/54/46/1137525446.db2.gz JQNSBWCQSPUAOH-IBGZPJMESA-N 1 3 328.500 3.542 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC001172102319 1137536291 /nfs/dbraw/zinc/53/62/91/1137536291.db2.gz LYVJJPNVAQFPEV-BTTYYORXSA-N 1 3 330.369 3.949 20 0 EHADHO Cc1c([C@H](C)NCc2cccc3c2CC[NH2+]C3)cnn1-c1ccccc1 ZINC000873237212 1137594764 /nfs/dbraw/zinc/59/47/64/1137594764.db2.gz JRLHYFMPEHYLCX-INIZCTEOSA-N 1 3 346.478 3.677 20 0 EHADHO Nc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000873289683 1137596677 /nfs/dbraw/zinc/59/66/77/1137596677.db2.gz WQBJVBOEEHAWBK-MZADTFQBSA-N 1 3 339.458 3.693 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000876988628 1137666951 /nfs/dbraw/zinc/66/69/51/1137666951.db2.gz HPTIFWKWUMKOTI-QGZVFWFLSA-N 1 3 347.503 3.855 20 0 EHADHO ClC1(Cl)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000877033368 1137668281 /nfs/dbraw/zinc/66/82/81/1137668281.db2.gz XGTIGRJZSHNSBA-MGNMYUMUSA-N 1 3 339.310 3.965 20 0 EHADHO ClC1(Cl)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877033368 1137668282 /nfs/dbraw/zinc/66/82/82/1137668282.db2.gz XGTIGRJZSHNSBA-MGNMYUMUSA-N 1 3 339.310 3.965 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000877195136 1137672698 /nfs/dbraw/zinc/67/26/98/1137672698.db2.gz GLWMAYFCINVZEC-UHFFFAOYSA-N 1 3 345.487 3.867 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3c(Cl)cncc3Cl)CC2)CC1 ZINC000877683486 1137685759 /nfs/dbraw/zinc/68/57/59/1137685759.db2.gz CNXSAGKSCKJTIU-UHFFFAOYSA-N 1 3 328.287 3.696 20 0 EHADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC001137188564 1137858253 /nfs/dbraw/zinc/85/82/53/1137858253.db2.gz CRGGDWUILGMIOX-RBUKOAKNSA-N 1 3 339.483 3.779 20 0 EHADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC001137188564 1137858254 /nfs/dbraw/zinc/85/82/54/1137858254.db2.gz CRGGDWUILGMIOX-RBUKOAKNSA-N 1 3 339.483 3.779 20 0 EHADHO CC1(C)Cc2occc2[C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C1 ZINC000331644615 1137915841 /nfs/dbraw/zinc/91/58/41/1137915841.db2.gz VLEDWPVEQBWFKP-ZBFHGGJFSA-N 1 3 333.476 3.520 20 0 EHADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000333125281 1137956092 /nfs/dbraw/zinc/95/60/92/1137956092.db2.gz IWUGKNJAHVKQDO-KDOFPFPSSA-N 1 3 348.874 3.805 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](c1cnn(C)c1)C(C)C ZINC000886495440 1138083619 /nfs/dbraw/zinc/08/36/19/1138083619.db2.gz YLUDJXGCRSHJBT-FQEVSTJZSA-N 1 3 328.504 3.749 20 0 EHADHO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C)CC2)[nH]c1C ZINC000886669714 1138111903 /nfs/dbraw/zinc/11/19/03/1138111903.db2.gz CMYYHYPHLCFSEC-MRXNPFEDSA-N 1 3 340.471 3.542 20 0 EHADHO Clc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000089551953 1138201349 /nfs/dbraw/zinc/20/13/49/1138201349.db2.gz DJUDZVQCDSBOJK-IAGOWNOFSA-N 1 3 348.918 3.605 20 0 EHADHO Clc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000089551953 1138201350 /nfs/dbraw/zinc/20/13/50/1138201350.db2.gz DJUDZVQCDSBOJK-IAGOWNOFSA-N 1 3 348.918 3.605 20 0 EHADHO CCOc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(Cl)c1OC ZINC000092253354 1138226334 /nfs/dbraw/zinc/22/63/34/1138226334.db2.gz FIMMAFUCTLHRIG-AWEZNQCLSA-N 1 3 340.895 3.521 20 0 EHADHO CCOc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(Cl)c1OC ZINC000092253354 1138226336 /nfs/dbraw/zinc/22/63/36/1138226336.db2.gz FIMMAFUCTLHRIG-AWEZNQCLSA-N 1 3 340.895 3.521 20 0 EHADHO CCc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000093301918 1138235515 /nfs/dbraw/zinc/23/55/15/1138235515.db2.gz QLPVNFXQHXRXMP-QGZVFWFLSA-N 1 3 340.515 3.720 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000152164302 1139077495 /nfs/dbraw/zinc/07/74/95/1139077495.db2.gz WEFXZJZOWPCFBW-IHRRRGAJSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152164302 1139077501 /nfs/dbraw/zinc/07/75/01/1139077501.db2.gz WEFXZJZOWPCFBW-IHRRRGAJSA-N 1 3 330.394 3.545 20 0 EHADHO CCCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178470683 1139697989 /nfs/dbraw/zinc/69/79/89/1139697989.db2.gz DDORNMKLYVOFER-ZWKOTPCHSA-N 1 3 346.515 3.627 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715659 1140165979 /nfs/dbraw/zinc/16/59/79/1140165979.db2.gz QEGMBZVHYNFPFI-QZTJIDSGSA-N 1 3 343.515 3.566 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715659 1140165982 /nfs/dbraw/zinc/16/59/82/1140165982.db2.gz QEGMBZVHYNFPFI-QZTJIDSGSA-N 1 3 343.515 3.566 20 0 EHADHO CCOc1ccccc1[C@@H](CC)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192786709 1140550394 /nfs/dbraw/zinc/55/03/94/1140550394.db2.gz RDKHEJMABLKWAU-HXUWFJFHSA-N 1 3 347.547 3.542 20 0 EHADHO Cc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000269076407 1141061057 /nfs/dbraw/zinc/06/10/57/1141061057.db2.gz NOCIAVCOEVCPME-SFHVURJKSA-N 1 3 338.495 3.803 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000269076407 1141061064 /nfs/dbraw/zinc/06/10/64/1141061064.db2.gz NOCIAVCOEVCPME-SFHVURJKSA-N 1 3 338.495 3.803 20 0 EHADHO C[C@@H]1C[C@H](NC[C@](C)(O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000269076059 1141061245 /nfs/dbraw/zinc/06/12/45/1141061245.db2.gz YNQYMRNXJAXJDS-POAQFYNOSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@H](NC[C@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076059 1141061253 /nfs/dbraw/zinc/06/12/53/1141061253.db2.gz YNQYMRNXJAXJDS-POAQFYNOSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548235 1141394826 /nfs/dbraw/zinc/39/48/26/1141394826.db2.gz UNLXGVVVAYMCPS-UYHISHBKSA-N 1 3 340.870 3.508 20 0 EHADHO Cc1ccc(CCCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646226 1141561483 /nfs/dbraw/zinc/56/14/83/1141561483.db2.gz PDMCZVYQZLGLGZ-HSZRJFAPSA-N 1 3 349.522 3.921 20 0 EHADHO Cc1ccc(CCCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646226 1141561486 /nfs/dbraw/zinc/56/14/86/1141561486.db2.gz PDMCZVYQZLGLGZ-HSZRJFAPSA-N 1 3 349.522 3.921 20 0 EHADHO COc1ccc(F)cc1[C@H](C)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000298246827 524332316 /nfs/dbraw/zinc/33/23/16/524332316.db2.gz DBZXKGSBZLTCOH-AWEZNQCLSA-N 1 3 329.419 3.549 20 0 EHADHO Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013821 1031971985 /nfs/dbraw/zinc/97/19/85/1031971985.db2.gz ZEQYJHRZXRKCLY-NWDGAFQWSA-N 1 3 331.323 3.811 20 0 EHADHO Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013821 1031971998 /nfs/dbraw/zinc/97/19/98/1031971998.db2.gz ZEQYJHRZXRKCLY-NWDGAFQWSA-N 1 3 331.323 3.811 20 0 EHADHO CN1CCC[C@]2(CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000339434057 1014432214 /nfs/dbraw/zinc/43/22/14/1014432214.db2.gz OHOBODHSDZNKCQ-IBGZPJMESA-N 1 3 329.875 3.806 20 0 EHADHO CN1CCC[C@]2(CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000339434057 1014432220 /nfs/dbraw/zinc/43/22/20/1014432220.db2.gz OHOBODHSDZNKCQ-IBGZPJMESA-N 1 3 329.875 3.806 20 0 EHADHO C[NH+](C)Cc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000449059272 1032102647 /nfs/dbraw/zinc/10/26/47/1032102647.db2.gz AWCARZJRSYCPPM-UHFFFAOYSA-N 1 3 340.467 3.589 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659286284 1016440930 /nfs/dbraw/zinc/44/09/30/1016440930.db2.gz XACYISYKNUDMDU-MRXNPFEDSA-N 1 3 341.499 3.661 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659286284 1016440940 /nfs/dbraw/zinc/44/09/40/1016440940.db2.gz XACYISYKNUDMDU-MRXNPFEDSA-N 1 3 341.499 3.661 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000121090952 1016794476 /nfs/dbraw/zinc/79/44/76/1016794476.db2.gz KTJAXMPLRRZJBD-FQEVSTJZSA-N 1 3 346.421 3.682 20 0 EHADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C2CC2)c1 ZINC000340319490 1016938653 /nfs/dbraw/zinc/93/86/53/1016938653.db2.gz WJAMMOFZBXXRGN-INIZCTEOSA-N 1 3 339.483 3.750 20 0 EHADHO C[C@@H](CN1CCCCC1)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449079437 1032166973 /nfs/dbraw/zinc/16/69/73/1032166973.db2.gz YVRFFHFQKHRHPR-PMACEKPBSA-N 1 3 343.559 3.546 20 0 EHADHO C[C@H]([NH2+]Cc1cc2cccnc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449223150 1032340099 /nfs/dbraw/zinc/34/00/99/1032340099.db2.gz FBYPICILOPIDBZ-LPHOPBHVSA-N 1 3 335.451 3.828 20 0 EHADHO C[N@H+](CCCO)C1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000189032526 1017383696 /nfs/dbraw/zinc/38/36/96/1017383696.db2.gz YBLBXZDXCATEAU-UHFFFAOYSA-N 1 3 344.543 3.739 20 0 EHADHO C[N@@H+](CCCO)C1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000189032526 1017383708 /nfs/dbraw/zinc/38/37/08/1017383708.db2.gz YBLBXZDXCATEAU-UHFFFAOYSA-N 1 3 344.543 3.739 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415109712 1017558664 /nfs/dbraw/zinc/55/86/64/1017558664.db2.gz OCAOSAGMAVKEAW-PZJWPPBQSA-N 1 3 346.515 3.584 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129998 1017596113 /nfs/dbraw/zinc/59/61/13/1017596113.db2.gz WCTMNNQGHJXOQP-QFBILLFUSA-N 1 3 336.907 3.621 20 0 EHADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000655804891 1017643111 /nfs/dbraw/zinc/64/31/11/1017643111.db2.gz FFBWXNDDKHHUKQ-KLHJMIIUSA-N 1 3 335.451 3.847 20 0 EHADHO CCN(C)C[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137748076 1017904943 /nfs/dbraw/zinc/90/49/43/1017904943.db2.gz BKWQLJLDIFWRED-LJQANCHMSA-N 1 3 345.531 3.604 20 0 EHADHO CCN(C)C[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137748076 1017904957 /nfs/dbraw/zinc/90/49/57/1017904957.db2.gz BKWQLJLDIFWRED-LJQANCHMSA-N 1 3 345.531 3.604 20 0 EHADHO Cc1c(Br)cccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000574172914 1032749585 /nfs/dbraw/zinc/74/95/85/1032749585.db2.gz YUGUFQWVSUXVGM-UHFFFAOYSA-N 1 3 325.294 3.720 20 0 EHADHO CC[NH+]1CCC(N[C@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000449550988 1032772121 /nfs/dbraw/zinc/77/21/21/1032772121.db2.gz FCOROLNGQMNJCM-QGZVFWFLSA-N 1 3 344.421 3.857 20 0 EHADHO c1cc(-c2ccc(CN3CCC(C[NH+]4CCCCCC4)CC3)o2)n[nH]1 ZINC000684021119 1019829722 /nfs/dbraw/zinc/82/97/22/1019829722.db2.gz SFRNWMWRWIQPDQ-UHFFFAOYSA-N 1 3 342.487 3.758 20 0 EHADHO CCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000507483236 1021301148 /nfs/dbraw/zinc/30/11/48/1021301148.db2.gz GXXBKAGWTVAYKP-QHAWAJNXSA-N 1 3 342.527 3.693 20 0 EHADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000426354087 1021360131 /nfs/dbraw/zinc/36/01/31/1021360131.db2.gz YCUGTEYUSANASB-VAMGGRTRSA-N 1 3 330.516 3.549 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414901911 1021737634 /nfs/dbraw/zinc/73/76/34/1021737634.db2.gz GQIINMADUSTOEK-UZLBHIALSA-N 1 3 331.504 3.506 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cc(F)ccc3o2)C[C@H](C)O1 ZINC000343798918 1033024138 /nfs/dbraw/zinc/02/41/38/1033024138.db2.gz YXOGWJZYOGZXEW-GASCZTMLSA-N 1 3 334.435 3.551 20 0 EHADHO C[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)CN(C)C ZINC000425931406 1022243786 /nfs/dbraw/zinc/24/37/86/1022243786.db2.gz LMUZSKOCBSSLQH-BEFAXECRSA-N 1 3 331.891 3.806 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(F)cc(Br)c1 ZINC000425941675 1022324949 /nfs/dbraw/zinc/32/49/49/1022324949.db2.gz KBCWQEFXVANGAT-IAQYHMDHSA-N 1 3 331.273 3.827 20 0 EHADHO c1ccc(OCCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119183 1022384214 /nfs/dbraw/zinc/38/42/14/1022384214.db2.gz JKNPOXOYGFOOOW-RXVVDRJESA-N 1 3 328.500 3.794 20 0 EHADHO c1ccc(OCCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119183 1022384228 /nfs/dbraw/zinc/38/42/28/1022384228.db2.gz JKNPOXOYGFOOOW-RXVVDRJESA-N 1 3 328.500 3.794 20 0 EHADHO CCc1ccc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)nc1 ZINC000517761385 1022640104 /nfs/dbraw/zinc/64/01/04/1022640104.db2.gz NAYJHVULDWAZTN-UHFFFAOYSA-N 1 3 329.532 3.978 20 0 EHADHO CCc1ccc(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)nc1 ZINC000517761385 1022640110 /nfs/dbraw/zinc/64/01/10/1022640110.db2.gz NAYJHVULDWAZTN-UHFFFAOYSA-N 1 3 329.532 3.978 20 0 EHADHO C[C@H](c1ccccc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198156 1033106071 /nfs/dbraw/zinc/10/60/71/1033106071.db2.gz CSARPUJJHQZBEB-CXAGYDPISA-N 1 3 337.305 3.974 20 0 EHADHO Clc1ccc(Br)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414980871 1023265375 /nfs/dbraw/zinc/26/53/75/1023265375.db2.gz XAUHUFDCXORGDA-CYBMUJFWSA-N 1 3 331.685 3.724 20 0 EHADHO CC(=O)Nc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000165590293 1023288900 /nfs/dbraw/zinc/28/89/00/1023288900.db2.gz IEPSLNJFBUJSJT-UHFFFAOYSA-N 1 3 343.515 3.574 20 0 EHADHO CC(=O)Nc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000165590293 1023288908 /nfs/dbraw/zinc/28/89/08/1023288908.db2.gz IEPSLNJFBUJSJT-UHFFFAOYSA-N 1 3 343.515 3.574 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc3ccccc3nc2OC)CC1 ZINC000535780882 1023630600 /nfs/dbraw/zinc/63/06/00/1023630600.db2.gz FBOWPJPSIDEFGU-UHFFFAOYSA-N 1 3 341.499 3.797 20 0 EHADHO COc1cc2ccc([C@H](C)NC[C@@H]3CCC[N@H+](C)C3)cc2cc1OC ZINC000657875937 1033154372 /nfs/dbraw/zinc/15/43/72/1033154372.db2.gz JTSBVGYTCISFNQ-HOTGVXAUSA-N 1 3 342.483 3.849 20 0 EHADHO COc1cc2ccc([C@H](C)NC[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875937 1033154376 /nfs/dbraw/zinc/15/43/76/1033154376.db2.gz JTSBVGYTCISFNQ-HOTGVXAUSA-N 1 3 342.483 3.849 20 0 EHADHO Oc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168002010 1024001158 /nfs/dbraw/zinc/00/11/58/1024001158.db2.gz BUWDRPOBXLVGRB-WCRBZPEASA-N 1 3 340.511 3.977 20 0 EHADHO Oc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168002010 1024001178 /nfs/dbraw/zinc/00/11/78/1024001178.db2.gz BUWDRPOBXLVGRB-WCRBZPEASA-N 1 3 340.511 3.977 20 0 EHADHO Oc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001168002010 1024001195 /nfs/dbraw/zinc/00/11/95/1024001195.db2.gz BUWDRPOBXLVGRB-WCRBZPEASA-N 1 3 340.511 3.977 20 0 EHADHO CC(C)(O)CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003270 1024107527 /nfs/dbraw/zinc/10/75/27/1024107527.db2.gz MSIFDSSIJMDPGW-WCRBZPEASA-N 1 3 342.527 3.665 20 0 EHADHO CC(C)(O)CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003270 1024107534 /nfs/dbraw/zinc/10/75/34/1024107534.db2.gz MSIFDSSIJMDPGW-WCRBZPEASA-N 1 3 342.527 3.665 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)c(C)c1OC ZINC000514089676 1024123489 /nfs/dbraw/zinc/12/34/89/1024123489.db2.gz QWAGWLFWMXGWGR-IAGOWNOFSA-N 1 3 348.531 3.797 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105525 1024137255 /nfs/dbraw/zinc/13/72/55/1024137255.db2.gz RPRHAYBBAOFUNH-BBRMVZONSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105525 1024137261 /nfs/dbraw/zinc/13/72/61/1024137261.db2.gz RPRHAYBBAOFUNH-BBRMVZONSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105525 1024137269 /nfs/dbraw/zinc/13/72/69/1024137269.db2.gz RPRHAYBBAOFUNH-BBRMVZONSA-N 1 3 330.394 3.968 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000427598202 1024150519 /nfs/dbraw/zinc/15/05/19/1024150519.db2.gz BTHHXAPQAXWRAD-INIZCTEOSA-N 1 3 341.421 3.943 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414860189 1024524206 /nfs/dbraw/zinc/52/42/06/1024524206.db2.gz OSLKNSJISJKINV-MRXNPFEDSA-N 1 3 331.504 3.607 20 0 EHADHO CCn1nc(CNCCCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000472056779 1024530235 /nfs/dbraw/zinc/53/02/35/1024530235.db2.gz ZKJVGYIEJQKTHT-UHFFFAOYSA-N 1 3 328.504 3.658 20 0 EHADHO CCCc1cc(CN)nn1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029581 1024548781 /nfs/dbraw/zinc/54/87/81/1024548781.db2.gz TWUXSMPGSRQCBO-UPHUGPLXSA-N 1 3 340.515 3.908 20 0 EHADHO CCCc1cc(CN)nn1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029581 1024548787 /nfs/dbraw/zinc/54/87/87/1024548787.db2.gz TWUXSMPGSRQCBO-UPHUGPLXSA-N 1 3 340.515 3.908 20 0 EHADHO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000588489668 1024556849 /nfs/dbraw/zinc/55/68/49/1024556849.db2.gz MSINNZHCVWFRMV-OKMFUNFZSA-N 1 3 346.515 3.659 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000346694017 1025019762 /nfs/dbraw/zinc/01/97/62/1025019762.db2.gz RHMVNJNUWDJSAS-UHFFFAOYSA-N 1 3 342.458 3.823 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000474482693 1025038628 /nfs/dbraw/zinc/03/86/28/1025038628.db2.gz OEFYUKHTKUMLLB-MSOLQXFVSA-N 1 3 348.531 3.907 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCc3cc(N)ccc32)CC1 ZINC000665270940 1025138969 /nfs/dbraw/zinc/13/89/69/1025138969.db2.gz DALNAITYYDQSSN-GAJHUEQPSA-N 1 3 349.522 3.941 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425410194 1025153330 /nfs/dbraw/zinc/15/33/30/1025153330.db2.gz WFUWMQGWZHDSBB-UHFFFAOYSA-N 1 3 338.499 3.697 20 0 EHADHO CC[NH2+]CC1CCN(Cc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000347078538 1025499485 /nfs/dbraw/zinc/49/94/85/1025499485.db2.gz VYXBQMZRXMMHST-UHFFFAOYSA-N 1 3 340.515 3.817 20 0 EHADHO OC1(CNC2CC([NH+]3CCCCC3)C2)CCC(c2ccccc2)CC1 ZINC000530234104 1025521511 /nfs/dbraw/zinc/52/15/11/1025521511.db2.gz NJOMTYLBJQEVSE-UHFFFAOYSA-N 1 3 342.527 3.682 20 0 EHADHO CC(C)[N@H+](C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)C(C)(C)CN ZINC001168041991 1025534047 /nfs/dbraw/zinc/53/40/47/1025534047.db2.gz XJWWZDRQNXGKIQ-QZTJIDSGSA-N 1 3 331.548 3.876 20 0 EHADHO CC(C)[N@@H+](C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)C(C)(C)CN ZINC001168041991 1025534060 /nfs/dbraw/zinc/53/40/60/1025534060.db2.gz XJWWZDRQNXGKIQ-QZTJIDSGSA-N 1 3 331.548 3.876 20 0 EHADHO CN1CCN(CC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1(C)C ZINC000442871699 1025545114 /nfs/dbraw/zinc/54/51/14/1025545114.db2.gz IMEATPHASSINHT-LJQANCHMSA-N 1 3 349.950 3.797 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1(C)C ZINC000442881615 1025563001 /nfs/dbraw/zinc/56/30/01/1025563001.db2.gz ZZMNDBIAZTWCKH-LJQANCHMSA-N 1 3 349.950 3.723 20 0 EHADHO Cc1ccccc1CN1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000521815049 1025701887 /nfs/dbraw/zinc/70/18/87/1025701887.db2.gz BRKVYEHCDYBOAO-UHFFFAOYSA-N 1 3 334.467 3.626 20 0 EHADHO Cc1ccccc1CN1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000521815049 1025701903 /nfs/dbraw/zinc/70/19/03/1025701903.db2.gz BRKVYEHCDYBOAO-UHFFFAOYSA-N 1 3 334.467 3.626 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000347253798 1025735966 /nfs/dbraw/zinc/73/59/66/1025735966.db2.gz BKGYYLHTQGPJAF-QGZVFWFLSA-N 1 3 331.504 3.731 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000531416711 1026911384 /nfs/dbraw/zinc/91/13/84/1026911384.db2.gz CCHUVAMTLLQLIX-GUDVDZBRSA-N 1 3 330.516 3.959 20 0 EHADHO CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453096560 1027360195 /nfs/dbraw/zinc/36/01/95/1027360195.db2.gz UBDXIZZGGXZVQT-VSKRKVRLSA-N 1 3 341.543 3.504 20 0 EHADHO Fc1ccc(Br)cc1CN(CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420298701 1027449564 /nfs/dbraw/zinc/44/95/64/1027449564.db2.gz FUYCHORXJWQCCF-GFCCVEGCSA-N 1 3 341.268 3.552 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303847 1027453233 /nfs/dbraw/zinc/45/32/33/1027453233.db2.gz NQYPUNXCZHWGJA-YLJYHZDGSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303847 1027453248 /nfs/dbraw/zinc/45/32/48/1027453248.db2.gz NQYPUNXCZHWGJA-YLJYHZDGSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303847 1027453256 /nfs/dbraw/zinc/45/32/56/1027453256.db2.gz NQYPUNXCZHWGJA-YLJYHZDGSA-N 1 3 340.467 3.583 20 0 EHADHO Clc1cccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325139 1027479398 /nfs/dbraw/zinc/47/93/98/1027479398.db2.gz IGMPXLSFCHUUAS-JKSUJKDBSA-N 1 3 345.874 3.817 20 0 EHADHO Clc1cccc([C@H](NCCC2CC[NH2+]CC2)c2ccccn2)c1 ZINC000420377577 1027498323 /nfs/dbraw/zinc/49/83/23/1027498323.db2.gz SOSKZLODHZQPCF-IBGZPJMESA-N 1 3 329.875 3.804 20 0 EHADHO Nc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382876 1027505134 /nfs/dbraw/zinc/50/51/34/1027505134.db2.gz YWMWUZMHRIONBB-RBBKRZOGSA-N 1 3 335.495 3.755 20 0 EHADHO Nc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382876 1027505135 /nfs/dbraw/zinc/50/51/35/1027505135.db2.gz YWMWUZMHRIONBB-RBBKRZOGSA-N 1 3 335.495 3.755 20 0 EHADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1F ZINC000657613042 1027634113 /nfs/dbraw/zinc/63/41/13/1027634113.db2.gz VGOXATZVXMZQEB-UHFFFAOYSA-N 1 3 327.447 3.531 20 0 EHADHO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000359900261 1027869737 /nfs/dbraw/zinc/86/97/37/1027869737.db2.gz PXYUGVQYYCMJQY-BVYCBKJFSA-N 1 3 338.495 3.610 20 0 EHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000422736161 1027881952 /nfs/dbraw/zinc/88/19/52/1027881952.db2.gz XOKCILYWYNAWDC-FGTMMUONSA-N 1 3 335.561 3.785 20 0 EHADHO c1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422728130 1027895937 /nfs/dbraw/zinc/89/59/37/1027895937.db2.gz FDUIPAZMSWVIDC-TUNNFDKTSA-N 1 3 334.463 3.910 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422740569 1027907065 /nfs/dbraw/zinc/90/70/65/1027907065.db2.gz NRXDNFCLZYUGMH-CZUORRHYSA-N 1 3 337.305 3.588 20 0 EHADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422777241 1027934100 /nfs/dbraw/zinc/93/41/00/1027934100.db2.gz BTXSTJPMYWUWJE-QRVBRYPASA-N 1 3 341.524 3.863 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)c1ccsc1 ZINC000422869326 1027986329 /nfs/dbraw/zinc/98/63/29/1027986329.db2.gz XIDIMGLVVNZINU-LSTHTHJFSA-N 1 3 345.556 3.679 20 0 EHADHO COc1ccccc1Oc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422905105 1028039141 /nfs/dbraw/zinc/03/91/41/1028039141.db2.gz HSCLFZAQDOTFIR-SJLPKXTDSA-N 1 3 326.440 3.705 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422909686 1028042807 /nfs/dbraw/zinc/04/28/07/1028042807.db2.gz ORTKBBNHEIVUBU-CQSZACIVSA-N 1 3 327.497 3.824 20 0 EHADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1nc(-c2ccncc2)cs1 ZINC000422912407 1028045697 /nfs/dbraw/zinc/04/56/97/1028045697.db2.gz NBLOPLFTQWWTMP-RDJZCZTQSA-N 1 3 344.528 3.648 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000422915272 1028046347 /nfs/dbraw/zinc/04/63/47/1028046347.db2.gz APEBZEJCWWFWCO-QWHCGFSZSA-N 1 3 333.863 3.620 20 0 EHADHO FC(F)(F)c1ccccc1OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422955379 1028095887 /nfs/dbraw/zinc/09/58/87/1028095887.db2.gz JDGDSRXWSRUFSP-FVQBIDKESA-N 1 3 342.405 3.595 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])s2)cc1 ZINC000422984465 1028111879 /nfs/dbraw/zinc/11/18/79/1028111879.db2.gz XVZIMKBRPDIWBF-AVGNSLFASA-N 1 3 333.501 3.904 20 0 EHADHO Fc1cc(C(F)(F)F)cc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423061931 1028155795 /nfs/dbraw/zinc/15/57/95/1028155795.db2.gz SAWXORNACKAUSO-XYPWUTKMSA-N 1 3 342.380 3.749 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423054120 1028165478 /nfs/dbraw/zinc/16/54/78/1028165478.db2.gz SYQOQMAXMXEJFW-CYBMUJFWSA-N 1 3 333.426 3.800 20 0 EHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423053944 1028167080 /nfs/dbraw/zinc/16/70/80/1028167080.db2.gz TXILUAPWZYUYOU-HOCLYGCPSA-N 1 3 336.277 3.680 20 0 EHADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423175820 1028247656 /nfs/dbraw/zinc/24/76/56/1028247656.db2.gz FGCQFLSQYWSVIK-SMHULIPUSA-N 1 3 337.442 3.983 20 0 EHADHO CC[C@H]1C[C@@]1([NH2+]CCCN1CCN(C(C)C)CC1)c1cccc(C)c1 ZINC000502507871 1028271860 /nfs/dbraw/zinc/27/18/60/1028271860.db2.gz HKIYZAPWZUOOOR-UNMCSNQZSA-N 1 3 343.559 3.626 20 0 EHADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423284768 1028323461 /nfs/dbraw/zinc/32/34/61/1028323461.db2.gz YIZSQWYOSPEHNA-LSDHHAIUSA-N 1 3 333.476 3.900 20 0 EHADHO C[NH+](C)C1CCC(NCc2c(F)cccc2Br)CC1 ZINC000421374494 1028334613 /nfs/dbraw/zinc/33/46/13/1028334613.db2.gz PCBGHCJXGJXZAX-UHFFFAOYSA-N 1 3 329.257 3.551 20 0 EHADHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCC1 ZINC000423328012 1028365823 /nfs/dbraw/zinc/36/58/23/1028365823.db2.gz NPOOABUVBMWFQP-CQSZACIVSA-N 1 3 331.460 3.798 20 0 EHADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OC)c(OC)c1 ZINC000423353155 1028381455 /nfs/dbraw/zinc/38/14/55/1028381455.db2.gz CQIMGFGUSQLIRO-GOSISDBHSA-N 1 3 326.440 3.548 20 0 EHADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423352615 1028382094 /nfs/dbraw/zinc/38/20/94/1028382094.db2.gz KVHBLCAFIHJEDQ-HXUWFJFHSA-N 1 3 343.515 3.561 20 0 EHADHO COC(=O)c1csc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423508603 1028471736 /nfs/dbraw/zinc/47/17/36/1028471736.db2.gz KYIUPCKSLFGLHC-BBRMVZONSA-N 1 3 332.469 3.666 20 0 EHADHO C[C@@H](NC[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423526206 1028498569 /nfs/dbraw/zinc/49/85/69/1028498569.db2.gz QCBDSSFOPLWWJV-CHWSQXEVSA-N 1 3 336.888 3.708 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135660 1028585637 /nfs/dbraw/zinc/58/56/37/1028585637.db2.gz PPXOYGNRAPVVOA-NVXWUHKLSA-N 1 3 329.875 3.908 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c(C)c1OC ZINC000513754386 1028663910 /nfs/dbraw/zinc/66/39/10/1028663910.db2.gz KNWHEZRPTWRCMK-QGZVFWFLSA-N 1 3 334.504 3.785 20 0 EHADHO Cc1csc([C@@H]2CCCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424277312 1028951147 /nfs/dbraw/zinc/95/11/47/1028951147.db2.gz BYNPEIAFUIXEQW-HZPDHXFCSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@@H]2CCC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277312 1028951167 /nfs/dbraw/zinc/95/11/67/1028951167.db2.gz BYNPEIAFUIXEQW-HZPDHXFCSA-N 1 3 333.476 3.513 20 0 EHADHO Cc1csc([C@@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000424277312 1028951181 /nfs/dbraw/zinc/95/11/81/1028951181.db2.gz BYNPEIAFUIXEQW-HZPDHXFCSA-N 1 3 333.476 3.513 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271801754 1029177145 /nfs/dbraw/zinc/17/71/45/1029177145.db2.gz SHARGJPGSJOTHE-HNAYVOBHSA-N 1 3 329.488 3.560 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271801752 1029177308 /nfs/dbraw/zinc/17/73/08/1029177308.db2.gz SHARGJPGSJOTHE-BEFAXECRSA-N 1 3 329.488 3.560 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271873147 1029210069 /nfs/dbraw/zinc/21/00/69/1029210069.db2.gz NFAOKGVROQPNPN-OAHLLOKOSA-N 1 3 341.524 3.955 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271873147 1029210091 /nfs/dbraw/zinc/21/00/91/1029210091.db2.gz NFAOKGVROQPNPN-OAHLLOKOSA-N 1 3 341.524 3.955 20 0 EHADHO C[C@@H](N[C@@H](C)c1cccc(CO)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272279716 1029396159 /nfs/dbraw/zinc/39/61/59/1029396159.db2.gz CRLTZWQWIKAZMT-NJNPRVFISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H](N[C@@H](C)c1cccc(CO)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272279716 1029396174 /nfs/dbraw/zinc/39/61/74/1029396174.db2.gz CRLTZWQWIKAZMT-NJNPRVFISA-N 1 3 338.495 3.740 20 0 EHADHO CC[NH2+]CC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000261825100 1029513684 /nfs/dbraw/zinc/51/36/84/1029513684.db2.gz IOVVCOOVKOBLDS-UHFFFAOYSA-N 1 3 338.499 3.671 20 0 EHADHO Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000272683330 1029566246 /nfs/dbraw/zinc/56/62/46/1029566246.db2.gz SXESSCWFISDCQW-VQIMIIECSA-N 1 3 343.540 3.803 20 0 EHADHO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000272704966 1029572926 /nfs/dbraw/zinc/57/29/26/1029572926.db2.gz TWJAXPNLCQYSBB-MOPGFXCFSA-N 1 3 341.543 3.898 20 0 EHADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000446839051 1029806923 /nfs/dbraw/zinc/80/69/23/1029806923.db2.gz OSLLFDSEJIJHGF-NHCUHLMSSA-N 1 3 332.532 3.938 20 0 EHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581839 1029875183 /nfs/dbraw/zinc/87/51/83/1029875183.db2.gz MHAPPKNREAZMQB-KCXAZCMYSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000156581839 1029875185 /nfs/dbraw/zinc/87/51/85/1029875185.db2.gz MHAPPKNREAZMQB-KCXAZCMYSA-N 1 3 325.294 3.973 20 0 EHADHO Cc1ccc(-c2ccc(CNCC3(O)CC[NH+](C(C)C)CC3)o2)cc1 ZINC000531864130 1029930372 /nfs/dbraw/zinc/93/03/72/1029930372.db2.gz JEUHUZSLAUJIBR-UHFFFAOYSA-N 1 3 342.483 3.580 20 0 EHADHO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453240283 1029965719 /nfs/dbraw/zinc/96/57/19/1029965719.db2.gz VQOSKAFMFNNTAW-VXSCBNMQSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453276730 1030012673 /nfs/dbraw/zinc/01/26/73/1030012673.db2.gz MXXLEQLLEQGZGJ-RYFAJOAYSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453297507 1030047212 /nfs/dbraw/zinc/04/72/12/1030047212.db2.gz ZIGNCWNLYFGRCQ-RYFAJOAYSA-N 1 3 344.543 3.818 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948487 1030116609 /nfs/dbraw/zinc/11/66/09/1030116609.db2.gz UTTBMWYVBIYMDL-GJYPPUQNSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948487 1030116620 /nfs/dbraw/zinc/11/66/20/1030116620.db2.gz UTTBMWYVBIYMDL-GJYPPUQNSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CCN1C ZINC000531948487 1030116629 /nfs/dbraw/zinc/11/66/29/1030116629.db2.gz UTTBMWYVBIYMDL-GJYPPUQNSA-N 1 3 335.923 3.549 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000650718275 1030145074 /nfs/dbraw/zinc/14/50/74/1030145074.db2.gz FNPFOJIQXJIURL-UHFFFAOYSA-N 1 3 346.858 3.511 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000453378120 1030201826 /nfs/dbraw/zinc/20/18/26/1030201826.db2.gz VMLPREFIRFEEDN-DLBZAZTESA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(F)c1CC1CCN([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453378120 1030201832 /nfs/dbraw/zinc/20/18/32/1030201832.db2.gz VMLPREFIRFEEDN-DLBZAZTESA-N 1 3 334.454 3.846 20 0 EHADHO COCCC[NH+]1CCC(N[C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447538852 1030274384 /nfs/dbraw/zinc/27/43/84/1030274384.db2.gz DPRQFVXDQYBKSX-RTWAWAEBSA-N 1 3 330.516 3.962 20 0 EHADHO [NH3+][C@@H]1CCC[C@H]1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625174 1030286983 /nfs/dbraw/zinc/28/69/83/1030286983.db2.gz ORFZJCKTBMTIEE-FGZHOGPDSA-N 1 3 346.478 3.568 20 0 EHADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625174 1030286997 /nfs/dbraw/zinc/28/69/97/1030286997.db2.gz ORFZJCKTBMTIEE-FGZHOGPDSA-N 1 3 346.478 3.568 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447600874 1030354400 /nfs/dbraw/zinc/35/44/00/1030354400.db2.gz NIPIYKUKJKROGL-STZQEDGTSA-N 1 3 341.543 3.504 20 0 EHADHO C[N@H+](CCCCNCc1cccc(F)c1Br)C1CC1 ZINC000453598567 1030358964 /nfs/dbraw/zinc/35/89/64/1030358964.db2.gz PSJCTDUMJNIOLO-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO C[N@@H+](CCCCNCc1cccc(F)c1Br)C1CC1 ZINC000453598567 1030358996 /nfs/dbraw/zinc/35/89/96/1030358996.db2.gz PSJCTDUMJNIOLO-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000532073942 1030364111 /nfs/dbraw/zinc/36/41/11/1030364111.db2.gz SWVLHLJDCGLKIP-HXUWFJFHSA-N 1 3 347.572 3.594 20 0 EHADHO CCC1(CN[C@H](C)c2nccn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000360058092 1030724449 /nfs/dbraw/zinc/72/44/49/1030724449.db2.gz LDFBUKCSZJKOPW-GOSISDBHSA-N 1 3 340.515 3.763 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000650755474 1030767348 /nfs/dbraw/zinc/76/73/48/1030767348.db2.gz FUTQEYQYGURDNC-OAHLLOKOSA-N 1 3 328.456 3.582 20 0 EHADHO CCOc1cc(CN2CCC(CC[NH2+]C)CC2)ccc1OC(F)F ZINC000261650179 1030996721 /nfs/dbraw/zinc/99/67/21/1030996721.db2.gz JMGLCISHQYQUIM-UHFFFAOYSA-N 1 3 342.430 3.508 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2COc3ccccc3C2)CC1 ZINC000551050131 1031005522 /nfs/dbraw/zinc/00/55/22/1031005522.db2.gz FLQQLEBDVDLTPA-UWJYYQICSA-N 1 3 336.479 3.805 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527648296 1031078303 /nfs/dbraw/zinc/07/83/03/1031078303.db2.gz WEJSZJZRWZIMBL-CYBMUJFWSA-N 1 3 330.394 3.536 20 0 EHADHO Cc1c(C)c(C)c(C[NH+]2CCC(N(C)CCCO)CC2)c(C)c1C ZINC000483399108 1031138097 /nfs/dbraw/zinc/13/80/97/1031138097.db2.gz YRWRIMHJWMMJHI-UHFFFAOYSA-N 1 3 332.532 3.507 20 0 EHADHO COc1cncc(/C=C\CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000583931814 1031157952 /nfs/dbraw/zinc/15/79/52/1031157952.db2.gz GYKYIHFTIBYDPG-IUIHMJQYSA-N 1 3 343.515 3.736 20 0 EHADHO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551259736 1031165587 /nfs/dbraw/zinc/16/55/87/1031165587.db2.gz QIFSRACJYAQRQC-GHTZIAJQSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995095 1031448091 /nfs/dbraw/zinc/44/80/91/1031448091.db2.gz DGOSEIDZVONCKV-GDBMZVCRSA-N 1 3 338.442 3.873 20 0 EHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178035043 1031609380 /nfs/dbraw/zinc/60/93/80/1031609380.db2.gz FVTXVNZYOXRCJF-GGPKGHCWSA-N 1 3 346.515 3.688 20 0 EHADHO C[C@H]1C[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@@H+]1C ZINC000178073017 1031617776 /nfs/dbraw/zinc/61/77/76/1031617776.db2.gz CHRFQHGVUXLTJD-FXAWDEMLSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@H]1C[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073017 1031617791 /nfs/dbraw/zinc/61/77/91/1031617791.db2.gz CHRFQHGVUXLTJD-FXAWDEMLSA-N 1 3 348.494 3.657 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000551977070 1031801947 /nfs/dbraw/zinc/80/19/47/1031801947.db2.gz SVZCUBVRAFTXCM-UHFFFAOYSA-N 1 3 344.528 3.757 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000551977070 1031801960 /nfs/dbraw/zinc/80/19/60/1031801960.db2.gz SVZCUBVRAFTXCM-UHFFFAOYSA-N 1 3 344.528 3.757 20 0 EHADHO CC[C@@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000685443819 1033335834 /nfs/dbraw/zinc/33/58/34/1033335834.db2.gz PZEQSEZIQUUYLX-YJJAZYOBSA-N 1 3 346.515 3.930 20 0 EHADHO CC[C@@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000685443819 1033335843 /nfs/dbraw/zinc/33/58/43/1033335843.db2.gz PZEQSEZIQUUYLX-YJJAZYOBSA-N 1 3 346.515 3.930 20 0 EHADHO CCn1cc(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)c(C)n1 ZINC000892402551 1033520313 /nfs/dbraw/zinc/52/03/13/1033520313.db2.gz CTDOBJOYMXAUCC-UHFFFAOYSA-N 1 3 332.536 3.545 20 0 EHADHO CCn1cc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)c(C)n1 ZINC000892402551 1033520323 /nfs/dbraw/zinc/52/03/23/1033520323.db2.gz CTDOBJOYMXAUCC-UHFFFAOYSA-N 1 3 332.536 3.545 20 0 EHADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000685647347 1033671394 /nfs/dbraw/zinc/67/13/94/1033671394.db2.gz WQOQATLRHNVFSH-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647347 1033671403 /nfs/dbraw/zinc/67/14/03/1033671403.db2.gz WQOQATLRHNVFSH-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000685647345 1033671506 /nfs/dbraw/zinc/67/15/06/1033671506.db2.gz WQOQATLRHNVFSH-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647345 1033671510 /nfs/dbraw/zinc/67/15/10/1033671510.db2.gz WQOQATLRHNVFSH-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO FC(F)(F)[C@H]1CC[C@H](CN2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC001168316311 1033991862 /nfs/dbraw/zinc/99/18/62/1033991862.db2.gz AJJSWEKDSFQHQT-IAGOWNOFSA-N 1 3 348.453 3.684 20 0 EHADHO COC1([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000658164353 1034029110 /nfs/dbraw/zinc/02/91/10/1034029110.db2.gz NLXTVTYSXVSWTF-SFHVURJKSA-N 1 3 345.531 3.621 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614778 1034152818 /nfs/dbraw/zinc/15/28/18/1034152818.db2.gz IMVYAKPIKFQJCQ-GXTWGEPZSA-N 1 3 330.394 3.732 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000537614778 1034152824 /nfs/dbraw/zinc/15/28/24/1034152824.db2.gz IMVYAKPIKFQJCQ-GXTWGEPZSA-N 1 3 330.394 3.732 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000340171778 1034365780 /nfs/dbraw/zinc/36/57/80/1034365780.db2.gz WLBYCIRFLCREJV-HSALFYBXSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccsc1 ZINC000340171778 1034365791 /nfs/dbraw/zinc/36/57/91/1034365791.db2.gz WLBYCIRFLCREJV-HSALFYBXSA-N 1 3 343.540 3.776 20 0 EHADHO CCN1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000569756077 1034663124 /nfs/dbraw/zinc/66/31/24/1034663124.db2.gz WLEFPLPDULACCG-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3Br)C1 ZINC000569756077 1034663131 /nfs/dbraw/zinc/66/31/31/1034663131.db2.gz WLEFPLPDULACCG-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3Br)C1 ZINC000569756077 1034663138 /nfs/dbraw/zinc/66/31/38/1034663138.db2.gz WLEFPLPDULACCG-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c(CN(C)C)c1 ZINC000431772683 1035463875 /nfs/dbraw/zinc/46/38/75/1035463875.db2.gz MEFYFVGXYUJUGW-HXUWFJFHSA-N 1 3 339.483 3.688 20 0 EHADHO COc1ccc(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168379694 1035604189 /nfs/dbraw/zinc/60/41/89/1035604189.db2.gz ODCSPTQSRFXQIK-UHFFFAOYSA-N 1 3 328.500 3.749 20 0 EHADHO Fc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168380409 1035612063 /nfs/dbraw/zinc/61/20/63/1035612063.db2.gz SEVIPZJDEGMOIS-UHFFFAOYSA-N 1 3 332.463 3.543 20 0 EHADHO COc1ccc(CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173974858 1035738992 /nfs/dbraw/zinc/73/89/92/1035738992.db2.gz XDKSOQGPHWUVQO-OAQYLSRUSA-N 1 3 338.495 3.692 20 0 EHADHO COc1ccc(CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173974858 1035739006 /nfs/dbraw/zinc/73/90/06/1035739006.db2.gz XDKSOQGPHWUVQO-OAQYLSRUSA-N 1 3 338.495 3.692 20 0 EHADHO C[C@@H]([NH2+]Cc1ccccc1N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492420729 1035757907 /nfs/dbraw/zinc/75/79/07/1035757907.db2.gz FWVOXSUGYAHKAI-WIYYLYMNSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(Br)o2)C1 ZINC000190772467 1036291542 /nfs/dbraw/zinc/29/15/42/1036291542.db2.gz CKXYJHXFBZIXRP-CYBMUJFWSA-N 1 3 329.282 3.644 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(Br)o2)C1 ZINC000190772467 1036291551 /nfs/dbraw/zinc/29/15/51/1036291551.db2.gz CKXYJHXFBZIXRP-CYBMUJFWSA-N 1 3 329.282 3.644 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000191475965 1036389441 /nfs/dbraw/zinc/38/94/41/1036389441.db2.gz XXBYMGVHCBHNMC-QFIPXVFZSA-N 1 3 343.559 3.672 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000191475965 1036389453 /nfs/dbraw/zinc/38/94/53/1036389453.db2.gz XXBYMGVHCBHNMC-QFIPXVFZSA-N 1 3 343.559 3.672 20 0 EHADHO Cc1ccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000376401279 1036535397 /nfs/dbraw/zinc/53/53/97/1036535397.db2.gz YVFUSDBJQWDUHW-NRFANRHFSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1ccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000376401279 1036535400 /nfs/dbraw/zinc/53/54/00/1036535400.db2.gz YVFUSDBJQWDUHW-NRFANRHFSA-N 1 3 329.532 3.548 20 0 EHADHO C1CCC2(C1)[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@@H]1CCO[C@@H]12 ZINC000122082949 1036680726 /nfs/dbraw/zinc/68/07/26/1036680726.db2.gz AMNGGSWVOUBOCH-UFYCRDLUSA-N 1 3 332.532 3.721 20 0 EHADHO CC[C@@H](C)Oc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000647542205 1037071940 /nfs/dbraw/zinc/07/19/40/1037071940.db2.gz YILFKUYUOOXPSF-APWZRJJASA-N 1 3 346.515 3.694 20 0 EHADHO Fc1ccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000061735387 1037506104 /nfs/dbraw/zinc/50/61/04/1037506104.db2.gz LWCFAWUSEMUSIC-UHFFFAOYSA-N 1 3 334.479 3.793 20 0 EHADHO C[C@@H]1C[C@H](NCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463116837 1037785097 /nfs/dbraw/zinc/78/50/97/1037785097.db2.gz SFZZKTZMOWYWRX-WIYYLYMNSA-N 1 3 337.511 3.895 20 0 EHADHO C[C@@H]1C[C@H](NCc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463116837 1037785113 /nfs/dbraw/zinc/78/51/13/1037785113.db2.gz SFZZKTZMOWYWRX-WIYYLYMNSA-N 1 3 337.511 3.895 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCCC[C@@H]1C ZINC000463143620 1037791642 /nfs/dbraw/zinc/79/16/42/1037791642.db2.gz IGLVBKITZBWPMC-GPQLQYNLSA-N 1 3 343.559 3.892 20 0 EHADHO Cc1c(Br)cccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623560769 1037797979 /nfs/dbraw/zinc/79/79/79/1037797979.db2.gz RMOIKMRPWZTCMD-AWEZNQCLSA-N 1 3 325.294 3.720 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000540320435 1037794081 /nfs/dbraw/zinc/79/40/81/1037794081.db2.gz KRHXPYNNOUSAOO-XNJGSVPQSA-N 1 3 337.305 3.899 20 0 EHADHO Cc1ccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463131914 1037796145 /nfs/dbraw/zinc/79/61/45/1037796145.db2.gz MUFMPTMIQFKQIT-UHFFFAOYSA-N 1 3 338.495 3.671 20 0 EHADHO C[N@H+](CCNC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000463147733 1037815581 /nfs/dbraw/zinc/81/55/81/1037815581.db2.gz IPDPWGSGHGANRP-UHFFFAOYSA-N 1 3 349.950 3.768 20 0 EHADHO C[N@@H+](CCNC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000463147733 1037815595 /nfs/dbraw/zinc/81/55/95/1037815595.db2.gz IPDPWGSGHGANRP-UHFFFAOYSA-N 1 3 349.950 3.768 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000463146750 1037816588 /nfs/dbraw/zinc/81/65/88/1037816588.db2.gz PLFRRDCSTITSPY-NXLVEIQXSA-N 1 3 343.559 3.750 20 0 EHADHO CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OC(F)F ZINC000163875462 1037897584 /nfs/dbraw/zinc/89/75/84/1037897584.db2.gz SPVBVVACDJLWIO-GZBFAFLISA-N 1 3 342.430 3.505 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000539201017 1038725526 /nfs/dbraw/zinc/72/55/26/1038725526.db2.gz KCOYLCDORXPENV-HXUWFJFHSA-N 1 3 334.479 3.676 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000559260263 1038912133 /nfs/dbraw/zinc/91/21/33/1038912133.db2.gz VWUKFMMJOHAZOM-IPMKNSEASA-N 1 3 338.536 3.599 20 0 EHADHO COCc1csc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000667620932 1039175670 /nfs/dbraw/zinc/17/56/70/1039175670.db2.gz VBGLFFFYKRSCLW-SFHVURJKSA-N 1 3 344.524 3.848 20 0 EHADHO COCc1csc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000667620932 1039175680 /nfs/dbraw/zinc/17/56/80/1039175680.db2.gz VBGLFFFYKRSCLW-SFHVURJKSA-N 1 3 344.524 3.848 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318059 1039201266 /nfs/dbraw/zinc/20/12/66/1039201266.db2.gz OPGPELZTCGJYNH-ZMYBRWDISA-N 1 3 336.907 3.738 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318059 1039201284 /nfs/dbraw/zinc/20/12/84/1039201284.db2.gz OPGPELZTCGJYNH-ZMYBRWDISA-N 1 3 336.907 3.738 20 0 EHADHO c1ccc([C@H]2C[C@@H]2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000668512144 1039234241 /nfs/dbraw/zinc/23/42/41/1039234241.db2.gz KAVRIRJDUXVPNK-FGZHOGPDSA-N 1 3 335.495 3.687 20 0 EHADHO CC(C)CC[NH+]1CCC(CNCc2ccc(Br)o2)CC1 ZINC000480368298 1039489113 /nfs/dbraw/zinc/48/91/13/1039489113.db2.gz YFAKLJAYXWPIFN-UHFFFAOYSA-N 1 3 343.309 3.890 20 0 EHADHO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCCC[C@@H]1C ZINC000480609810 1039749365 /nfs/dbraw/zinc/74/93/65/1039749365.db2.gz KETWYJLHZXGBQB-AQCRLBJHSA-N 1 3 343.559 3.750 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000660245331 1040062040 /nfs/dbraw/zinc/06/20/40/1040062040.db2.gz XIQRPLYJVASIGL-UHFFFAOYSA-N 1 3 340.515 3.964 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)CC3 ZINC000490124604 1040363868 /nfs/dbraw/zinc/36/38/68/1040363868.db2.gz KUGBAHNEBMCQLM-IAGOWNOFSA-N 1 3 325.500 3.655 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000500068249 1040431179 /nfs/dbraw/zinc/43/11/79/1040431179.db2.gz ATXWFYIZXCELEP-OAQYLSRUSA-N 1 3 335.580 3.837 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000500068249 1040431187 /nfs/dbraw/zinc/43/11/87/1040431187.db2.gz ATXWFYIZXCELEP-OAQYLSRUSA-N 1 3 335.580 3.837 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@H]2CCCCN2C)cn1 ZINC001167752547 1040848993 /nfs/dbraw/zinc/84/89/93/1040848993.db2.gz VXIZRTDJDAOBMB-PKOBYXMFSA-N 1 3 330.520 3.915 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCNc1ccc([C@H]2CCCCN2C)cn1 ZINC001167752547 1040848999 /nfs/dbraw/zinc/84/89/99/1040848999.db2.gz VXIZRTDJDAOBMB-PKOBYXMFSA-N 1 3 330.520 3.915 20 0 EHADHO COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCNC[C@H]3C3CCCC3)C2)c1 ZINC000925684563 1041155373 /nfs/dbraw/zinc/15/53/73/1041155373.db2.gz BHQARUNNRONNSY-QIJZPMMNSA-N 1 3 328.500 3.699 20 0 EHADHO C[C@@H]([NH2+]Cc1cc2cnccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000651756455 1041998949 /nfs/dbraw/zinc/99/89/49/1041998949.db2.gz YDMWGOJRUXRXML-AEFFLSMTSA-N 1 3 335.451 3.828 20 0 EHADHO Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299138 1042665569 /nfs/dbraw/zinc/66/55/69/1042665569.db2.gz ZYFYHFIMVHEYBX-LJQANCHMSA-N 1 3 339.483 3.862 20 0 EHADHO CC(C)c1cccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000663322809 1042681550 /nfs/dbraw/zinc/68/15/50/1042681550.db2.gz BHBJJEAUPMZTNX-QFIPXVFZSA-N 1 3 338.495 3.666 20 0 EHADHO CC(C)c1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000663322809 1042681552 /nfs/dbraw/zinc/68/15/52/1042681552.db2.gz BHBJJEAUPMZTNX-QFIPXVFZSA-N 1 3 338.495 3.666 20 0 EHADHO C[C@@H](c1cccc2ccccc21)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321429 1042684326 /nfs/dbraw/zinc/68/43/26/1042684326.db2.gz IEYMKZLUJOXDOO-HKUYNNGSSA-N 1 3 326.484 3.943 20 0 EHADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925778580 1042909904 /nfs/dbraw/zinc/90/99/04/1042909904.db2.gz JVVSIKASLUFBMQ-GOEBONIOSA-N 1 3 326.431 3.617 20 0 EHADHO CCCCOc1cc(CNCc2ccc(C[NH3+])cc2)ccc1OC ZINC000563135153 1042926323 /nfs/dbraw/zinc/92/63/23/1042926323.db2.gz HWQPODIEUWWSKN-UHFFFAOYSA-N 1 3 328.456 3.623 20 0 EHADHO Clc1cccc2c1CC[C@@H]2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000154755304 1125754595 /nfs/dbraw/zinc/75/45/95/1125754595.db2.gz RGVWCUHOHUSDKP-FQEVSTJZSA-N 1 3 348.918 3.904 20 0 EHADHO CC1CCN([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337539 1126918811 /nfs/dbraw/zinc/91/88/11/1126918811.db2.gz OIBOSPMYCSUSAM-ROUUACIJSA-N 1 3 349.588 3.984 20 0 EHADHO CC1CCN([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337539 1126918813 /nfs/dbraw/zinc/91/88/13/1126918813.db2.gz OIBOSPMYCSUSAM-ROUUACIJSA-N 1 3 349.588 3.984 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623449290 1126958539 /nfs/dbraw/zinc/95/85/39/1126958539.db2.gz PSMXLMXRFGKDBB-GGPKGHCWSA-N 1 3 343.559 3.605 20 0 EHADHO C[N@@H+](Cc1cccc2c1NCC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000346833915 1126981542 /nfs/dbraw/zinc/98/15/42/1126981542.db2.gz SHTDDDCRBKSVTG-IBGZPJMESA-N 1 3 335.495 3.609 20 0 EHADHO C[N@H+](Cc1cccc2c1NCC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000346833915 1126981545 /nfs/dbraw/zinc/98/15/45/1126981545.db2.gz SHTDDDCRBKSVTG-IBGZPJMESA-N 1 3 335.495 3.609 20 0 EHADHO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185724863 1126994375 /nfs/dbraw/zinc/99/43/75/1126994375.db2.gz STQZZMKSLNHBFG-MJGOQNOKSA-N 1 3 341.499 3.570 20 0 EHADHO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccoc1 ZINC000178759120 1127030116 /nfs/dbraw/zinc/03/01/16/1127030116.db2.gz OOQHKWQVADTLRF-GJZGRUSLSA-N 1 3 331.435 3.582 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121249 1127256363 /nfs/dbraw/zinc/25/63/63/1127256363.db2.gz RFMQMOUFTQTEHI-WMZOPIPTSA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121249 1127256366 /nfs/dbraw/zinc/25/63/66/1127256366.db2.gz RFMQMOUFTQTEHI-WMZOPIPTSA-N 1 3 326.488 3.563 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121379 1127257172 /nfs/dbraw/zinc/25/71/72/1127257172.db2.gz UXGZBUFBLBRTHV-SJORKVTESA-N 1 3 346.519 3.599 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000624124158 1127257671 /nfs/dbraw/zinc/25/76/71/1127257671.db2.gz YQAOPGACAHMZIR-IXDOHACOSA-N 1 3 334.504 3.517 20 0 EHADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120339 1127255709 /nfs/dbraw/zinc/25/57/09/1127255709.db2.gz WPJFGJUHRKWASH-DOTOQJQBSA-N 1 3 340.458 3.931 20 0 EHADHO COCc1cccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381355289 1127483389 /nfs/dbraw/zinc/48/33/89/1127483389.db2.gz NJCOHELHXDPCEU-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355289 1127483391 /nfs/dbraw/zinc/48/33/91/1127483391.db2.gz NJCOHELHXDPCEU-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000381355289 1127483393 /nfs/dbraw/zinc/48/33/93/1127483393.db2.gz NJCOHELHXDPCEU-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO Cc1ccc([C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)c(C)c1 ZINC000282159355 1128014273 /nfs/dbraw/zinc/01/42/73/1128014273.db2.gz UBPJUWUQXPYRMV-NRFANRHFSA-N 1 3 343.559 3.509 20 0 EHADHO Cc1ccc([C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)c(C)c1 ZINC000282159355 1128014279 /nfs/dbraw/zinc/01/42/79/1128014279.db2.gz UBPJUWUQXPYRMV-NRFANRHFSA-N 1 3 343.559 3.509 20 0 EHADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091312758 1128458174 /nfs/dbraw/zinc/45/81/74/1128458174.db2.gz WLEFPLPDULACCG-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000091312758 1128458176 /nfs/dbraw/zinc/45/81/76/1128458176.db2.gz WLEFPLPDULACCG-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000091312758 1128458179 /nfs/dbraw/zinc/45/81/79/1128458179.db2.gz WLEFPLPDULACCG-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO C[NH+](C)Cc1cccc(CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168009358 1120199251 /nfs/dbraw/zinc/19/92/51/1120199251.db2.gz KZNFGDCDBTZCLP-UHFFFAOYSA-N 1 3 338.373 3.779 20 0 EHADHO COCCC[NH+]1CCC(Nc2c(C)cnc3c(C)cccc32)CC1 ZINC000185293127 1120407637 /nfs/dbraw/zinc/40/76/37/1120407637.db2.gz OKZAUFQFOPPIQZ-UHFFFAOYSA-N 1 3 327.472 3.764 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cccc(Cl)c1 ZINC000192786148 1120749259 /nfs/dbraw/zinc/74/92/59/1120749259.db2.gz NZZPBTOBMHYKHK-IBGZPJMESA-N 1 3 337.939 3.797 20 0 EHADHO Cc1cccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000237768583 1121493684 /nfs/dbraw/zinc/49/36/84/1121493684.db2.gz OJQHLQJNPKTXRV-UHFFFAOYSA-N 1 3 338.495 3.671 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000397514207 1121765962 /nfs/dbraw/zinc/76/59/62/1121765962.db2.gz QQENOGVHUVJUJY-KRWDZBQOSA-N 1 3 342.458 3.503 20 0 EHADHO CCCN1CCC([NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000397996577 1121957805 /nfs/dbraw/zinc/95/78/05/1121957805.db2.gz CAYKDMMMHQOVKK-OAQYLSRUSA-N 1 3 331.548 3.607 20 0 EHADHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1SC ZINC000123351715 1122095449 /nfs/dbraw/zinc/09/54/49/1122095449.db2.gz LXPCQAOKVCFWGL-UHFFFAOYSA-N 1 3 336.545 3.971 20 0 EHADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125585257 1122320797 /nfs/dbraw/zinc/32/07/97/1122320797.db2.gz HOURNVHQMYSTRM-JKSUJKDBSA-N 1 3 343.515 3.689 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231217 1122892602 /nfs/dbraw/zinc/89/26/02/1122892602.db2.gz DIEZGOUBCZPBRY-RTWAWAEBSA-N 1 3 342.527 3.693 20 0 EHADHO FC(F)(F)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000556922686 1123210413 /nfs/dbraw/zinc/21/04/13/1123210413.db2.gz FTPLRWWSOBJIDR-BRWVUGGUSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000556922686 1123210416 /nfs/dbraw/zinc/21/04/16/1123210416.db2.gz FTPLRWWSOBJIDR-BRWVUGGUSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000556922686 1123210419 /nfs/dbraw/zinc/21/04/19/1123210419.db2.gz FTPLRWWSOBJIDR-BRWVUGGUSA-N 1 3 338.417 3.829 20 0 EHADHO Fc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134878106 1123560501 /nfs/dbraw/zinc/56/05/01/1123560501.db2.gz UQFZPNGRPPNFKR-UZLBHIALSA-N 1 3 332.463 3.543 20 0 EHADHO Fc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134878106 1123560505 /nfs/dbraw/zinc/56/05/05/1123560505.db2.gz UQFZPNGRPPNFKR-UZLBHIALSA-N 1 3 332.463 3.543 20 0 EHADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2n1C ZINC000246016508 1124000479 /nfs/dbraw/zinc/00/04/79/1124000479.db2.gz KYLZCFNISZKTRF-FGTMMUONSA-N 1 3 342.531 3.982 20 0 EHADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2n1C ZINC000246016508 1124000481 /nfs/dbraw/zinc/00/04/81/1124000481.db2.gz KYLZCFNISZKTRF-FGTMMUONSA-N 1 3 342.531 3.982 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000246081089 1124015453 /nfs/dbraw/zinc/01/54/53/1124015453.db2.gz FUKKSSNHYKOZQO-AEFFLSMTSA-N 1 3 334.504 3.694 20 0 EHADHO CC(C)[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000246101206 1124020839 /nfs/dbraw/zinc/02/08/39/1124020839.db2.gz ORUXZXGVPVIMHT-HBMCJLEFSA-N 1 3 330.516 3.741 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880986 1124628472 /nfs/dbraw/zinc/62/84/72/1124628472.db2.gz BPSLQXDMJCCRSN-FCGDIQPGSA-N 1 3 349.588 3.839 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880986 1124628476 /nfs/dbraw/zinc/62/84/76/1124628476.db2.gz BPSLQXDMJCCRSN-FCGDIQPGSA-N 1 3 349.588 3.839 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248049373 1124637158 /nfs/dbraw/zinc/63/71/58/1124637158.db2.gz WATHOJFQXOGLTN-HKUYNNGSSA-N 1 3 336.545 3.505 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248049373 1124637161 /nfs/dbraw/zinc/63/71/61/1124637161.db2.gz WATHOJFQXOGLTN-HKUYNNGSSA-N 1 3 336.545 3.505 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000248742752 1124695271 /nfs/dbraw/zinc/69/52/71/1124695271.db2.gz RGFWSNZJQOBYFC-BBRMVZONSA-N 1 3 330.925 3.628 20 0 EHADHO CC[NH+](CC)C[C@H]1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248897657 1124714860 /nfs/dbraw/zinc/71/48/60/1124714860.db2.gz VMZSYCHCSHEMAI-SJLPKXTDSA-N 1 3 336.495 3.677 20 0 EHADHO FC(F)OCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249292695 1124750960 /nfs/dbraw/zinc/75/09/60/1124750960.db2.gz QETUBKAVKGNJSB-KZNAEPCWSA-N 1 3 338.442 3.506 20 0 EHADHO C[NH+](C)CCC1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000091734487 1124997025 /nfs/dbraw/zinc/99/70/25/1124997025.db2.gz HQASNEWHFUNBOB-UHFFFAOYSA-N 1 3 328.859 3.522 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182527795 1125326005 /nfs/dbraw/zinc/32/60/05/1125326005.db2.gz QFYXOQAEKMAXNK-QZTJIDSGSA-N 1 3 346.515 3.758 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1OC ZINC000183011871 1125419052 /nfs/dbraw/zinc/41/90/52/1125419052.db2.gz NZTYTIXCXSGKEH-POAQFYNOSA-N 1 3 348.531 3.739 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000466420750 1129439537 /nfs/dbraw/zinc/43/95/37/1129439537.db2.gz FZSCRZAIXCDZKQ-UHFFFAOYSA-N 1 3 349.522 3.864 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2cnc([C@H]3CCCO3)s2)CC1 ZINC000922503184 1129556443 /nfs/dbraw/zinc/55/64/43/1129556443.db2.gz HNIAGHBFPYFSJU-URSIVYNOSA-N 1 3 349.544 3.881 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000675751913 1130464947 /nfs/dbraw/zinc/46/49/47/1130464947.db2.gz GICVILLEJITLCM-NSISKUIASA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000675751913 1130464953 /nfs/dbraw/zinc/46/49/53/1130464953.db2.gz GICVILLEJITLCM-NSISKUIASA-N 1 3 343.515 3.744 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H](C)C1 ZINC000675743804 1130468846 /nfs/dbraw/zinc/46/88/46/1130468846.db2.gz VMGAQOJMPFYFSZ-LPHOPBHVSA-N 1 3 325.456 3.694 20 0 EHADHO Cc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CC2 ZINC001172832115 1131855839 /nfs/dbraw/zinc/85/58/39/1131855839.db2.gz QLZMGEVPPXMEEY-HSZRJFAPSA-N 1 3 349.522 3.749 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206185487 1131936724 /nfs/dbraw/zinc/93/67/24/1131936724.db2.gz NYYYWCJCCISNBK-WOJBJXKFSA-N 1 3 342.458 3.835 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206185487 1131936726 /nfs/dbraw/zinc/93/67/26/1131936726.db2.gz NYYYWCJCCISNBK-WOJBJXKFSA-N 1 3 342.458 3.835 20 0 EHADHO C(C1CCCC1)N1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044434 1131940394 /nfs/dbraw/zinc/94/03/94/1131940394.db2.gz BQCZLGJCXPGXAD-UHFFFAOYSA-N 1 3 334.548 3.970 20 0 EHADHO CC[NH+](CC)C1CCC(N[C@H](c2ccccc2)c2cccnn2)CC1 ZINC001173109214 1131968652 /nfs/dbraw/zinc/96/86/52/1131968652.db2.gz ZJUFSLWWCXKNSL-GZNCHQMQSA-N 1 3 338.499 3.809 20 0 EHADHO CC[NH+]1CCC(N[C@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001169230355 1132702620 /nfs/dbraw/zinc/70/26/20/1132702620.db2.gz YZJFDARPWTUDFH-HNNXBMFYSA-N 1 3 328.378 3.646 20 0 EHADHO CCN1CCC([N@@H+]2CCC[C@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001169258384 1132710911 /nfs/dbraw/zinc/71/09/11/1132710911.db2.gz KGLNJTMUVKJNAQ-KRWDZBQOSA-N 1 3 336.907 3.976 20 0 EHADHO CCN1CCC([N@H+]2CCC[C@H](Oc3cc(C)ccc3Cl)C2)CC1 ZINC001169258384 1132710915 /nfs/dbraw/zinc/71/09/15/1132710915.db2.gz KGLNJTMUVKJNAQ-KRWDZBQOSA-N 1 3 336.907 3.976 20 0 EHADHO C[N@@H+]1C[C@@]23CN(CCSCc4ccccc4)C[C@]2(C1)CCCC3 ZINC001177008228 1133022040 /nfs/dbraw/zinc/02/20/40/1133022040.db2.gz ICLXEWWZQIMMJB-BGYRXZFFSA-N 1 3 330.541 3.728 20 0 EHADHO C[N@H+]1C[C@@]23CN(CCSCc4ccccc4)C[C@]2(C1)CCCC3 ZINC001177008228 1133022044 /nfs/dbraw/zinc/02/20/44/1133022044.db2.gz ICLXEWWZQIMMJB-BGYRXZFFSA-N 1 3 330.541 3.728 20 0 EHADHO CCC(CC)N1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169982608 1133096177 /nfs/dbraw/zinc/09/61/77/1133096177.db2.gz OYYLNHCGYGSQSM-UHFFFAOYSA-N 1 3 325.541 3.640 20 0 EHADHO Fc1ccc2nc(CNC3CCN(c4cc[nH+]cc4)CC3)sc2c1 ZINC001179789158 1133283225 /nfs/dbraw/zinc/28/32/25/1133283225.db2.gz MWLLIOJUQIXCRT-UHFFFAOYSA-N 1 3 342.443 3.589 20 0 EHADHO Cc1c(C[N@@H+](C)CC[C@@H]2CCCCN2C)sc2nc(C)nc(C)c12 ZINC000769483395 1133289309 /nfs/dbraw/zinc/28/93/09/1133289309.db2.gz PWAYOEGEJMAJTK-INIZCTEOSA-N 1 3 346.544 3.923 20 0 EHADHO Cc1c(C[N@H+](C)CC[C@@H]2CCCCN2C)sc2nc(C)nc(C)c12 ZINC000769483395 1133289310 /nfs/dbraw/zinc/28/93/10/1133289310.db2.gz PWAYOEGEJMAJTK-INIZCTEOSA-N 1 3 346.544 3.923 20 0 EHADHO COc1c(C)cnc(C[N@H+](CCN(C)C)CC2CCCCC2)c1C ZINC001181471806 1133491732 /nfs/dbraw/zinc/49/17/32/1133491732.db2.gz IYYONEAHTVXMKT-UHFFFAOYSA-N 1 3 333.520 3.651 20 0 EHADHO COc1c(C)cnc(C[N@@H+](CCN(C)C)CC2CCCCC2)c1C ZINC001181471806 1133491736 /nfs/dbraw/zinc/49/17/36/1133491736.db2.gz IYYONEAHTVXMKT-UHFFFAOYSA-N 1 3 333.520 3.651 20 0 EHADHO Cc1cc(Br)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000774159007 1133625578 /nfs/dbraw/zinc/62/55/78/1133625578.db2.gz ONNJQQJLLCVRKL-MQVJKMGUSA-N 1 3 337.305 3.781 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccncc2)ccc1OC ZINC000775401463 1134729274 /nfs/dbraw/zinc/72/92/74/1134729274.db2.gz PDLGQAHBVYUDQL-KRWDZBQOSA-N 1 3 341.499 3.825 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1CN1CCCCC1 ZINC000775414319 1134757386 /nfs/dbraw/zinc/75/73/86/1134757386.db2.gz GJPYWODIJCLEJJ-VDGAXYAQSA-N 1 3 346.515 3.635 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)CN(Cc2ccccc2)C1 ZINC000793608037 1134969046 /nfs/dbraw/zinc/96/90/46/1134969046.db2.gz HKXOETGRCSZZEO-DYESRHJHSA-N 1 3 348.494 3.606 20 0 EHADHO Cc1ccc(F)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Br ZINC001205638428 1135158325 /nfs/dbraw/zinc/15/83/25/1135158325.db2.gz NVVLSVHVSFPXFW-AAEUAGOBSA-N 1 3 343.284 3.703 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000809738643 1135882583 /nfs/dbraw/zinc/88/25/83/1135882583.db2.gz CYBNCYYDULTQJJ-UHFFFAOYSA-N 1 3 335.451 3.634 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](CO)C2CCCC2)ccc1OC ZINC000810260009 1135943946 /nfs/dbraw/zinc/94/39/46/1135943946.db2.gz ZTJGEGWMJIDDKQ-OXJNMPFZSA-N 1 3 348.531 3.739 20 0 EHADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(C3CCCC3)CC2)nc1 ZINC000850542512 1136282645 /nfs/dbraw/zinc/28/26/45/1136282645.db2.gz PYRFVVQEKKMTDS-UWJYYQICSA-N 1 3 327.516 3.789 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NCC2=CCCOC2)C3)cc1 ZINC000813790775 1136362949 /nfs/dbraw/zinc/36/29/49/1136362949.db2.gz XQGDHAJANYIPTO-SEJPIABJSA-N 1 3 326.484 3.508 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NCC2=CCCOC2)C3)cc1 ZINC000813790775 1136362953 /nfs/dbraw/zinc/36/29/53/1136362953.db2.gz XQGDHAJANYIPTO-SEJPIABJSA-N 1 3 326.484 3.508 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000815596782 1136616896 /nfs/dbraw/zinc/61/68/96/1136616896.db2.gz DSAUIAJMDMGRON-YSSFQJQWSA-N 1 3 334.479 3.553 20 0 EHADHO Cc1ccc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)cc1 ZINC000817897695 1136844106 /nfs/dbraw/zinc/84/41/06/1136844106.db2.gz VTKIHDXFPOQYLP-KAGYGMCKSA-N 1 3 337.511 3.512 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCNC[C@H]3C)CC2)cc1 ZINC000817970931 1136853800 /nfs/dbraw/zinc/85/38/00/1136853800.db2.gz HTBKIMXTZDEKEG-ZEXAPNKDSA-N 1 3 330.516 3.528 20 0 EHADHO C[NH+](C)CC[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000819079410 1136911917 /nfs/dbraw/zinc/91/19/17/1136911917.db2.gz AABSIQREPGZRBB-HZPDHXFCSA-N 1 3 346.437 3.695 20 0 EHADHO c1n[nH]c2c1CCC[C@H]2NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000857866580 1136915238 /nfs/dbraw/zinc/91/52/38/1136915238.db2.gz CBXGWYCOTMRYJL-UYAOXDASSA-N 1 3 338.499 3.679 20 0 EHADHO c1n[nH]c2c1CCC[C@H]2NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000857866580 1136915241 /nfs/dbraw/zinc/91/52/41/1136915241.db2.gz CBXGWYCOTMRYJL-UYAOXDASSA-N 1 3 338.499 3.679 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1OC ZINC000858546376 1136977992 /nfs/dbraw/zinc/97/79/92/1136977992.db2.gz UGGNFPDKBVVNOC-ZRCAFCQKSA-N 1 3 346.515 3.755 20 0 EHADHO Cc1c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccnc1F ZINC000862299619 1137137677 /nfs/dbraw/zinc/13/76/77/1137137677.db2.gz DRQAKKGBXPKPGQ-QFBILLFUSA-N 1 3 327.447 3.529 20 0 EHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4c(N)ccnc4c3)c2c1 ZINC001171168001 1137278461 /nfs/dbraw/zinc/27/84/61/1137278461.db2.gz ILXQQBKPEDBFJY-AWEZNQCLSA-N 1 3 330.435 3.959 20 0 EHADHO Cn1c2ccccc2nc1[C@H](NCCCCCC[NH3+])c1ccccc1 ZINC000846222285 1137342228 /nfs/dbraw/zinc/34/22/28/1137342228.db2.gz CPMIZJFSYICRGZ-HXUWFJFHSA-N 1 3 336.483 3.771 20 0 EHADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000867987540 1137392436 /nfs/dbraw/zinc/39/24/36/1137392436.db2.gz NCXRZCCRJVLJOU-OXQOHEQNSA-N 1 3 349.478 3.504 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C[C@H](C)O1 ZINC000716619613 1137487996 /nfs/dbraw/zinc/48/79/96/1137487996.db2.gz GDXPABBADIDLFZ-MLHLJQGRSA-N 1 3 328.500 3.585 20 0 EHADHO COc1ccc2c(c1)C[C@@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)CS2 ZINC001171630105 1137499863 /nfs/dbraw/zinc/49/98/63/1137499863.db2.gz JBAWOKJHJDJOMW-OAHLLOKOSA-N 1 3 348.556 3.953 20 0 EHADHO C[NH+]1C(C)(C)CC(NC[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC001171624109 1137501381 /nfs/dbraw/zinc/50/13/81/1137501381.db2.gz MYVCKZUKULDNKG-IBGZPJMESA-N 1 3 329.532 3.502 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001171693938 1137507845 /nfs/dbraw/zinc/50/78/45/1137507845.db2.gz PUWXRCLIFLQKLY-OTWHNJEPSA-N 1 3 340.515 3.565 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001171693938 1137507846 /nfs/dbraw/zinc/50/78/46/1137507846.db2.gz PUWXRCLIFLQKLY-OTWHNJEPSA-N 1 3 340.515 3.565 20 0 EHADHO CC1(C)C[C@@H](NCCc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC001171965641 1137520289 /nfs/dbraw/zinc/52/02/89/1137520289.db2.gz PVQVEQQJGUQUGK-KRWDZBQOSA-N 1 3 329.513 3.718 20 0 EHADHO CC1(C)C[C@@H](NCCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC001171965641 1137520291 /nfs/dbraw/zinc/52/02/91/1137520291.db2.gz PVQVEQQJGUQUGK-KRWDZBQOSA-N 1 3 329.513 3.718 20 0 EHADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967505 1137520614 /nfs/dbraw/zinc/52/06/14/1137520614.db2.gz ANGJQABVFMCXHQ-WOJBJXKFSA-N 1 3 329.532 3.502 20 0 EHADHO CC1(C)C[C@@H](N2CCN3CCCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979248 1137525867 /nfs/dbraw/zinc/52/58/67/1137525867.db2.gz ABSGEICKDZTJNM-SFTDATJTSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@@H](N2CCN3CCCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979248 1137525869 /nfs/dbraw/zinc/52/58/69/1137525869.db2.gz ABSGEICKDZTJNM-SFTDATJTSA-N 1 3 341.543 3.600 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC001172101657 1137532037 /nfs/dbraw/zinc/53/20/37/1137532037.db2.gz HFGROSDUFCQHME-MUJYYYPQSA-N 1 3 330.369 3.949 20 0 EHADHO C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172134063 1137536023 /nfs/dbraw/zinc/53/60/23/1137536023.db2.gz WQIOQXJVLZGNQX-VRXWPRPYSA-N 1 3 345.506 3.520 20 0 EHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172327411 1137546669 /nfs/dbraw/zinc/54/66/69/1137546669.db2.gz FBYCFPBIYKBQPD-DLBZAZTESA-N 1 3 336.495 3.755 20 0 EHADHO Cc1c([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cnn1-c1ccccc1 ZINC000873237213 1137594752 /nfs/dbraw/zinc/59/47/52/1137594752.db2.gz JRLHYFMPEHYLCX-MRXNPFEDSA-N 1 3 346.478 3.677 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000877076824 1137669477 /nfs/dbraw/zinc/66/94/77/1137669477.db2.gz VUNADVSOBDTATK-BMFZPTHFSA-N 1 3 327.299 3.823 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076824 1137669478 /nfs/dbraw/zinc/66/94/78/1137669478.db2.gz VUNADVSOBDTATK-BMFZPTHFSA-N 1 3 327.299 3.823 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000877524915 1137679626 /nfs/dbraw/zinc/67/96/26/1137679626.db2.gz KOEMVOGVSVKEBA-QZTJIDSGSA-N 1 3 325.500 3.876 20 0 EHADHO CC(C)CN(Cc1cc(-c2ccco2)on1)CC1CC[NH+](C)CC1 ZINC000879702765 1137755796 /nfs/dbraw/zinc/75/57/96/1137755796.db2.gz XUWSHZGEIKVEID-UHFFFAOYSA-N 1 3 331.460 3.734 20 0 EHADHO Cc1cccc2c1ncc(C)c2N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726141 1137832661 /nfs/dbraw/zinc/83/26/61/1137832661.db2.gz LFYKUGGEDUNBPD-SFHVURJKSA-N 1 3 339.483 3.589 20 0 EHADHO c1cc(CNCc2cccc3c2CCOC3)cc(C[NH+]2CCCC2)c1 ZINC000882883262 1137836692 /nfs/dbraw/zinc/83/66/92/1137836692.db2.gz TXEXOZLAAOLZIP-UHFFFAOYSA-N 1 3 336.479 3.645 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000882932218 1137839002 /nfs/dbraw/zinc/83/90/02/1137839002.db2.gz BPTGCVKFYFTDJB-UHFFFAOYSA-N 1 3 338.495 3.889 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000882932218 1137839003 /nfs/dbraw/zinc/83/90/03/1137839003.db2.gz BPTGCVKFYFTDJB-UHFFFAOYSA-N 1 3 338.495 3.889 20 0 EHADHO C[C@H]1CN(C/C(Br)=C/c2ccccc2)CCC[C@@H]1C[NH3+] ZINC001205980833 1137959126 /nfs/dbraw/zinc/95/91/26/1137959126.db2.gz AIOHTWWYQITEOW-OYEMUKOHSA-N 1 3 337.305 3.729 20 0 EHADHO CCC[NH+]1CCC(CNCc2cc(F)ccc2Br)CC1 ZINC001649171980 1138020957 /nfs/dbraw/zinc/02/09/57/1138020957.db2.gz ZLSFEWMVKVFKIL-UHFFFAOYSA-N 1 3 343.284 3.800 20 0 EHADHO Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000886527136 1138090458 /nfs/dbraw/zinc/09/04/58/1138090458.db2.gz ZHTSAFKCLRHOBC-FKBYEOEOSA-N 1 3 335.495 3.575 20 0 EHADHO Clc1ccncc1CN1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001137237526 1138216648 /nfs/dbraw/zinc/21/66/48/1138216648.db2.gz BMYCGGXZLNMBTK-UHFFFAOYSA-N 1 3 341.886 3.833 20 0 EHADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1nc2ccccc2n1C ZINC000091286686 1138218046 /nfs/dbraw/zinc/21/80/46/1138218046.db2.gz UVGLSRDUWZWAJY-QGZVFWFLSA-N 1 3 328.504 3.736 20 0 EHADHO C[NH+](C)CCC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000092380950 1138227418 /nfs/dbraw/zinc/22/74/18/1138227418.db2.gz UNRTVDWHHMBWKE-UHFFFAOYSA-N 1 3 330.394 3.591 20 0 EHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccsc1 ZINC000178795191 1139717960 /nfs/dbraw/zinc/71/79/60/1139717960.db2.gz OESDGQAPYLUJDE-HNNXBMFYSA-N 1 3 330.497 3.556 20 0 EHADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000268754310 1140983399 /nfs/dbraw/zinc/98/33/99/1140983399.db2.gz IXPPRSFIJFPYBW-SFHVURJKSA-N 1 3 334.504 3.865 20 0 EHADHO CCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268883342 1141016352 /nfs/dbraw/zinc/01/63/52/1141016352.db2.gz FPBAZPSZRRTTFM-KNQAVFIVSA-N 1 3 343.559 3.894 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928657 1141027626 /nfs/dbraw/zinc/02/76/26/1141027626.db2.gz YUPLIQGJKKFQLJ-QZTJIDSGSA-N 1 3 326.488 3.643 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)c1C ZINC000268995840 1141041726 /nfs/dbraw/zinc/04/17/26/1141041726.db2.gz KPCISRSCRNYTMK-INIZCTEOSA-N 1 3 343.515 3.627 20 0 EHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309515 1141204708 /nfs/dbraw/zinc/20/47/08/1141204708.db2.gz GUPXLKMNXCSFRO-QGZVFWFLSA-N 1 3 345.314 3.831 20 0 EHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309515 1141204712 /nfs/dbraw/zinc/20/47/12/1141204712.db2.gz GUPXLKMNXCSFRO-QGZVFWFLSA-N 1 3 345.314 3.831 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000271560264 1141397828 /nfs/dbraw/zinc/39/78/28/1141397828.db2.gz WSRRCYJZTPOVFN-ZOCIIQOWSA-N 1 3 336.907 3.759 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000283252843 1141579180 /nfs/dbraw/zinc/57/91/80/1141579180.db2.gz KCBFFRIBSPZNGZ-RXVVDRJESA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000283252843 1141579182 /nfs/dbraw/zinc/57/91/82/1141579182.db2.gz KCBFFRIBSPZNGZ-RXVVDRJESA-N 1 3 347.522 3.625 20 0 EHADHO c1cc([C@H]2OCCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)ccn1 ZINC000299740980 258010023 /nfs/dbraw/zinc/01/00/23/258010023.db2.gz COSMOLYXHJGUSU-LEWJYISDSA-N 1 3 343.515 3.688 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000305773036 1125463339 /nfs/dbraw/zinc/46/33/39/1125463339.db2.gz VLGCSTLFWILJAW-AEGPPILISA-N 1 3 342.936 3.820 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc(C2CC2)c1 ZINC000904472152 1032067491 /nfs/dbraw/zinc/06/74/91/1032067491.db2.gz LXJMSTIZOXEGKR-IRLDBZIGSA-N 1 3 334.463 3.910 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2cnccc2c1 ZINC000904474079 1032070021 /nfs/dbraw/zinc/07/00/21/1032070021.db2.gz SYSILSSSRMKJIE-IFMALSPDSA-N 1 3 345.446 3.580 20 0 EHADHO Fc1ccc(/C=C/CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904475388 1032070681 /nfs/dbraw/zinc/07/06/81/1032070681.db2.gz OLTPINOJFYMQMO-FMGXZMDRSA-N 1 3 338.426 3.684 20 0 EHADHO C[C@H]1CSCCN1Cc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000343732938 1032100850 /nfs/dbraw/zinc/10/08/50/1032100850.db2.gz CPLAPLLOGUPYBN-HOTGVXAUSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@H]1CSCCN1Cc1cccc(C[N@H+]2CCSC[C@@H]2C)c1 ZINC000343732938 1032100852 /nfs/dbraw/zinc/10/08/52/1032100852.db2.gz CPLAPLLOGUPYBN-HOTGVXAUSA-N 1 3 336.570 3.561 20 0 EHADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618100 1015102694 /nfs/dbraw/zinc/10/26/94/1015102694.db2.gz RTPGCRIWPUDMFM-JOQOYGCGSA-N 1 3 339.310 3.909 20 0 EHADHO CN1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001208618100 1015102701 /nfs/dbraw/zinc/10/27/01/1015102701.db2.gz RTPGCRIWPUDMFM-JOQOYGCGSA-N 1 3 339.310 3.909 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000538098485 1032140764 /nfs/dbraw/zinc/14/07/64/1032140764.db2.gz HERWJIGPOHYXSX-YOEHRIQHSA-N 1 3 345.314 3.737 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115136 1016179316 /nfs/dbraw/zinc/17/93/16/1016179316.db2.gz HXSAFJMVVZJNAN-TXPKVOOTSA-N 1 3 327.472 3.511 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115136 1016179321 /nfs/dbraw/zinc/17/93/21/1016179321.db2.gz HXSAFJMVVZJNAN-TXPKVOOTSA-N 1 3 327.472 3.511 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCN1C ZINC000155200475 1016291706 /nfs/dbraw/zinc/29/17/06/1016291706.db2.gz WVICIJAORVAGAR-LPHOPBHVSA-N 1 3 349.950 3.624 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CCCN2CCCC2)sc1Br ZINC000510254155 1016777970 /nfs/dbraw/zinc/77/79/70/1016777970.db2.gz JNUIBTKAMDPCNX-LBPRGKRZSA-N 1 3 331.323 3.956 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089531 1032192471 /nfs/dbraw/zinc/19/24/71/1032192471.db2.gz KCTYJNOQFRDVQK-NHYWBVRUSA-N 1 3 341.268 3.507 20 0 EHADHO C[C@@H]1CSC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449124499 1032215821 /nfs/dbraw/zinc/21/58/21/1032215821.db2.gz GOZKAUIDGPQDEQ-RDTXWAMCSA-N 1 3 338.948 3.893 20 0 EHADHO COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000536830523 1032310858 /nfs/dbraw/zinc/31/08/58/1032310858.db2.gz DHVFIUUKTJKYPY-HNAYVOBHSA-N 1 3 334.504 3.624 20 0 EHADHO c1c2cccnc2oc1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000449321330 1032452063 /nfs/dbraw/zinc/45/20/63/1032452063.db2.gz LMXRMRAUXYEMTL-QFIPXVFZSA-N 1 3 347.462 3.926 20 0 EHADHO c1c2cccnc2oc1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000449321330 1032452075 /nfs/dbraw/zinc/45/20/75/1032452075.db2.gz LMXRMRAUXYEMTL-QFIPXVFZSA-N 1 3 347.462 3.926 20 0 EHADHO COc1cc(Cl)c(CNCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000459738579 1032453647 /nfs/dbraw/zinc/45/36/47/1032453647.db2.gz RYDIHBNOBXJMJH-LBPRGKRZSA-N 1 3 331.287 3.824 20 0 EHADHO COc1cc(Cl)c(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000459738579 1032453651 /nfs/dbraw/zinc/45/36/51/1032453651.db2.gz RYDIHBNOBXJMJH-LBPRGKRZSA-N 1 3 331.287 3.824 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449484169 1032638012 /nfs/dbraw/zinc/63/80/12/1032638012.db2.gz LKBKZSSIADOREY-PXNSSMCTSA-N 1 3 329.532 3.955 20 0 EHADHO Cc1ccc([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000091343542 1032687306 /nfs/dbraw/zinc/68/73/06/1032687306.db2.gz ZMVLQZDJJIWJJM-UTKZUKDTSA-N 1 3 328.500 3.537 20 0 EHADHO Cc1cc2c(c(C)c1)[C@@H](NCC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000655711893 1017434985 /nfs/dbraw/zinc/43/49/85/1017434985.db2.gz JUOFCIVOGMKZQL-IBGZPJMESA-N 1 3 328.500 3.525 20 0 EHADHO COc1cc2c(c(CN[C@H](CCC[NH3+])c3ccccc3)c1)O[C@@H](C)C2 ZINC000415061053 1017489708 /nfs/dbraw/zinc/48/97/08/1017489708.db2.gz XRYNPCXGDOFMNB-MGPUTAFESA-N 1 3 340.467 3.588 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415071238 1017503977 /nfs/dbraw/zinc/50/39/77/1017503977.db2.gz WENOGJQAEHVWHY-DNVCBOLYSA-N 1 3 331.504 3.634 20 0 EHADHO Clc1cccc(OCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415074689 1017504817 /nfs/dbraw/zinc/50/48/17/1017504817.db2.gz APKFAQDFDGCRPX-HKUYNNGSSA-N 1 3 330.859 3.802 20 0 EHADHO c1cnn(Cc2cccc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)c1 ZINC000415077757 1017512403 /nfs/dbraw/zinc/51/24/03/1017512403.db2.gz FFXBXFQRRGSKMS-VXKWHMMOSA-N 1 3 346.478 3.514 20 0 EHADHO COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000574100173 1032721306 /nfs/dbraw/zinc/72/13/06/1032721306.db2.gz NGLNZRFHPHABOA-UAGQMJEPSA-N 1 3 332.488 3.937 20 0 EHADHO COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000574100174 1032721562 /nfs/dbraw/zinc/72/15/62/1032721562.db2.gz NGLNZRFHPHABOA-USXIJHARSA-N 1 3 332.488 3.937 20 0 EHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(OCC2CC2)c(F)c1 ZINC000893131874 1018588130 /nfs/dbraw/zinc/58/81/30/1018588130.db2.gz GVQRBPHNFZYKMF-DXJOGWAWSA-N 1 3 332.463 3.890 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168279759 1032812803 /nfs/dbraw/zinc/81/28/03/1032812803.db2.gz KWUWLAHYJPPVTG-UXHICEINSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168279759 1032812816 /nfs/dbraw/zinc/81/28/16/1032812816.db2.gz KWUWLAHYJPPVTG-UXHICEINSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@@H](N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001168279759 1032812828 /nfs/dbraw/zinc/81/28/28/1032812828.db2.gz KWUWLAHYJPPVTG-UXHICEINSA-N 1 3 328.500 3.503 20 0 EHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513223439 1019439296 /nfs/dbraw/zinc/43/92/96/1019439296.db2.gz MGJRQHCBQWMJBL-CSODHUTKSA-N 1 3 330.516 3.956 20 0 EHADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000513544007 1019812061 /nfs/dbraw/zinc/81/20/61/1019812061.db2.gz BUCPAOFQPUQEAN-QIPRVMPFSA-N 1 3 348.918 3.834 20 0 EHADHO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N(CC)CC ZINC000345849789 1020555447 /nfs/dbraw/zinc/55/54/47/1020555447.db2.gz QVSHRRAQWPJGBQ-LJQANCHMSA-N 1 3 331.504 3.731 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000500995100 1020648125 /nfs/dbraw/zinc/64/81/25/1020648125.db2.gz VCSGYTDJYFQHQH-JOCHJYFZSA-N 1 3 343.559 3.924 20 0 EHADHO CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000296033179 1021240036 /nfs/dbraw/zinc/24/00/36/1021240036.db2.gz SZANTPSVAQVRGF-CCNLRDMRSA-N 1 3 332.488 3.760 20 0 EHADHO Brc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656785516 1021336853 /nfs/dbraw/zinc/33/68/53/1021336853.db2.gz LGESRJJCMAASAQ-CYBMUJFWSA-N 1 3 343.334 3.722 20 0 EHADHO FC(F)(F)c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783872 1021337521 /nfs/dbraw/zinc/33/75/21/1021337521.db2.gz VMJZCAYGNCUJQB-ZDUSSCGKSA-N 1 3 332.435 3.979 20 0 EHADHO CN1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)Cc2ccccc21 ZINC000437092431 1021546371 /nfs/dbraw/zinc/54/63/71/1021546371.db2.gz DPFBWSOWQMAJDQ-SFHVURJKSA-N 1 3 341.543 3.682 20 0 EHADHO CN1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)Cc2ccccc21 ZINC000437092431 1021546386 /nfs/dbraw/zinc/54/63/86/1021546386.db2.gz DPFBWSOWQMAJDQ-SFHVURJKSA-N 1 3 341.543 3.682 20 0 EHADHO Cc1ccccc1[C@@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441116632 1021989121 /nfs/dbraw/zinc/98/91/21/1021989121.db2.gz QBSSWMLCYOTJKG-LJQANCHMSA-N 1 3 329.532 3.546 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000449679333 1033028752 /nfs/dbraw/zinc/02/87/52/1033028752.db2.gz DKDMETJOSSTLKI-MLNNCEHLSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000473912195 1022269922 /nfs/dbraw/zinc/26/99/22/1022269922.db2.gz NBWRXDPSXJMFBH-GKJHBJHPSA-N 1 3 342.527 3.754 20 0 EHADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(Br)cc2)c2ccccc21 ZINC000261762850 1022275220 /nfs/dbraw/zinc/27/52/20/1022275220.db2.gz NXYRCOONCSRMJR-SJORKVTESA-N 1 3 331.257 3.726 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(Br)cc2)c2ccccc21 ZINC000261762848 1022275288 /nfs/dbraw/zinc/27/52/88/1022275288.db2.gz NXYRCOONCSRMJR-IAGOWNOFSA-N 1 3 331.257 3.726 20 0 EHADHO COc1ccc(F)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000550174123 1022642651 /nfs/dbraw/zinc/64/26/51/1022642651.db2.gz CAPJPHBIKIYSDD-APWZRJJASA-N 1 3 342.458 3.977 20 0 EHADHO CCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639709 1022741113 /nfs/dbraw/zinc/74/11/13/1022741113.db2.gz MAUUHBOURAIIPA-PBHICJAKSA-N 1 3 345.314 3.881 20 0 EHADHO CCCOc1c(CN2CCC(C[NH+](C)C)CC2)cccc1OCC ZINC000506924257 1023009728 /nfs/dbraw/zinc/00/97/28/1023009728.db2.gz AYUJECOTAGSGNJ-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535811437 1023653212 /nfs/dbraw/zinc/65/32/12/1023653212.db2.gz GCEVVLINQYMENC-UHFFFAOYSA-N 1 3 334.552 3.807 20 0 EHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535811437 1023653215 /nfs/dbraw/zinc/65/32/15/1023653215.db2.gz GCEVVLINQYMENC-UHFFFAOYSA-N 1 3 334.552 3.807 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000324088238 1024185816 /nfs/dbraw/zinc/18/58/16/1024185816.db2.gz AJIXPTQDBHIUTI-SFHVURJKSA-N 1 3 334.504 3.867 20 0 EHADHO CC1(C)CCN(CCC[N@@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434711796 1024314864 /nfs/dbraw/zinc/31/48/64/1024314864.db2.gz RSADTJCYMLTQRF-UHFFFAOYSA-N 1 3 330.607 3.812 20 0 EHADHO CC1(C)CCN(CCC[N@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434711796 1024314874 /nfs/dbraw/zinc/31/48/74/1024314874.db2.gz RSADTJCYMLTQRF-UHFFFAOYSA-N 1 3 330.607 3.812 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(OC)c(OC)c2C)c1 ZINC000342184566 1024354467 /nfs/dbraw/zinc/35/44/67/1024354467.db2.gz CPWGFRWVDFBQOB-UHFFFAOYSA-N 1 3 342.483 3.754 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(OC)c(OC)c2C)c1 ZINC000342184566 1024354486 /nfs/dbraw/zinc/35/44/86/1024354486.db2.gz CPWGFRWVDFBQOB-UHFFFAOYSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@H]1CC(NCCc2nccs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006314 1024398597 /nfs/dbraw/zinc/39/85/97/1024398597.db2.gz NBXYDFZMHVTQKB-HOTGVXAUSA-N 1 3 329.513 3.717 20 0 EHADHO CCn1nc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc21 ZINC000472053570 1024515059 /nfs/dbraw/zinc/51/50/59/1024515059.db2.gz QNKFGWUREQJXGR-ROUUACIJSA-N 1 3 342.531 3.904 20 0 EHADHO Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000895116672 1024543810 /nfs/dbraw/zinc/54/38/10/1024543810.db2.gz VIAOMKLMZBFVOG-CTNGQTDRSA-N 1 3 340.515 3.516 20 0 EHADHO [NH3+]Cc1ccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000514603320 1024598593 /nfs/dbraw/zinc/59/85/93/1024598593.db2.gz CFUXGPIGDLFVBW-KRWDZBQOSA-N 1 3 336.357 3.821 20 0 EHADHO CC(C)C[C@H](C[NH+]1CCC(N(C)CCCO)CC1)c1ccccc1 ZINC000474276472 1024681393 /nfs/dbraw/zinc/68/13/93/1024681393.db2.gz RNAXROWYOICCRO-HXUWFJFHSA-N 1 3 332.532 3.595 20 0 EHADHO CC(C)C[C@H](CN1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000474276472 1024681401 /nfs/dbraw/zinc/68/14/01/1024681401.db2.gz RNAXROWYOICCRO-HXUWFJFHSA-N 1 3 332.532 3.595 20 0 EHADHO CC(C)C[C@H](CN1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000474276472 1024681408 /nfs/dbraw/zinc/68/14/08/1024681408.db2.gz RNAXROWYOICCRO-HXUWFJFHSA-N 1 3 332.532 3.595 20 0 EHADHO CCN(Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435391390 1024876847 /nfs/dbraw/zinc/87/68/47/1024876847.db2.gz DZNMEBHWFZRERG-FQEVSTJZSA-N 1 3 339.483 3.625 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942289 1025018023 /nfs/dbraw/zinc/01/80/23/1025018023.db2.gz XDZRXUSFQCGXRR-SXLOBPIMSA-N 1 3 348.531 3.873 20 0 EHADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428242439 1025151783 /nfs/dbraw/zinc/15/17/83/1025151783.db2.gz SRWDSCYLZSUPLP-CIAFKFPVSA-N 1 3 344.543 3.674 20 0 EHADHO CC(C)[C@H](C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000474596941 1025181116 /nfs/dbraw/zinc/18/11/16/1025181116.db2.gz HWYWSVGWPSUYAH-ZVDOUQERSA-N 1 3 332.532 3.905 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280418 1025286326 /nfs/dbraw/zinc/28/63/26/1025286326.db2.gz AMBRJVUAKVJVLE-MAUKXSAKSA-N 1 3 334.508 3.584 20 0 EHADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012372 1025409181 /nfs/dbraw/zinc/40/91/81/1025409181.db2.gz HLYVQWOKBAQXDE-SJLPKXTDSA-N 1 3 334.467 3.585 20 0 EHADHO Cc1cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C)c(C)[nH+]1 ZINC000521703475 1025610879 /nfs/dbraw/zinc/61/08/79/1025610879.db2.gz UYHYLNLXOIUZGL-FQEVSTJZSA-N 1 3 340.467 3.677 20 0 EHADHO c1ccc([C@@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000436469032 1025761812 /nfs/dbraw/zinc/76/18/12/1025761812.db2.gz QWVOONOOWPMAOJ-JOCHJYFZSA-N 1 3 344.462 3.825 20 0 EHADHO CN1C[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)[C@H](c2ccccc2)C1 ZINC000647249095 1025967578 /nfs/dbraw/zinc/96/75/78/1025967578.db2.gz AWIUZKVESDLTOF-MJGOQNOKSA-N 1 3 341.524 3.846 20 0 EHADHO CN(C)Cc1cccc(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000111423356 1026273511 /nfs/dbraw/zinc/27/35/11/1026273511.db2.gz INEMHOHKQVZHJT-UHFFFAOYSA-N 1 3 346.519 3.526 20 0 EHADHO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000451983153 1026421026 /nfs/dbraw/zinc/42/10/26/1026421026.db2.gz GKOMYLVJGGKQSZ-NRFANRHFSA-N 1 3 347.522 3.687 20 0 EHADHO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000451983153 1026421030 /nfs/dbraw/zinc/42/10/30/1026421030.db2.gz GKOMYLVJGGKQSZ-NRFANRHFSA-N 1 3 347.522 3.687 20 0 EHADHO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000451983154 1026422145 /nfs/dbraw/zinc/42/21/45/1026422145.db2.gz GKOMYLVJGGKQSZ-OAQYLSRUSA-N 1 3 347.522 3.687 20 0 EHADHO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000451983154 1026422147 /nfs/dbraw/zinc/42/21/47/1026422147.db2.gz GKOMYLVJGGKQSZ-OAQYLSRUSA-N 1 3 347.522 3.687 20 0 EHADHO CCCc1cc(NCC[NH+]2CCC(OC)CC2)c2ccccc2n1 ZINC000301802776 1026944482 /nfs/dbraw/zinc/94/44/82/1026944482.db2.gz UDFGPJHXHWABIN-UHFFFAOYSA-N 1 3 327.472 3.710 20 0 EHADHO CC(C)OC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000501427168 1027274897 /nfs/dbraw/zinc/27/48/97/1027274897.db2.gz WAPBGGYUAOPGAB-MRXNPFEDSA-N 1 3 338.923 3.955 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000420301064 1027449884 /nfs/dbraw/zinc/44/98/84/1027449884.db2.gz IIKPTMCUPNUGNW-WIYYLYMNSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000420301064 1027449894 /nfs/dbraw/zinc/44/98/94/1027449894.db2.gz IIKPTMCUPNUGNW-WIYYLYMNSA-N 1 3 340.467 3.583 20 0 EHADHO Clc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420340003 1027473680 /nfs/dbraw/zinc/47/36/80/1027473680.db2.gz MIOJDACNTUWHCU-HZPDHXFCSA-N 1 3 345.874 3.817 20 0 EHADHO CCC1(CN[C@@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000453170558 1027487822 /nfs/dbraw/zinc/48/78/22/1027487822.db2.gz GTJQHPIFGKTRLU-LJQANCHMSA-N 1 3 338.499 3.610 20 0 EHADHO Cc1cc(Br)ccc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000475547761 1027587417 /nfs/dbraw/zinc/58/74/17/1027587417.db2.gz IDQWSKLCCVOXLF-UHFFFAOYSA-N 1 3 337.305 3.864 20 0 EHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000909601944 1027726991 /nfs/dbraw/zinc/72/69/91/1027726991.db2.gz SFIQTVZQVBRFBT-FQEVSTJZSA-N 1 3 343.515 3.792 20 0 EHADHO N[C@@H]1C[C@H]([NH2+]CCc2cc(Br)ccc2F)c2ccccc21 ZINC000422706430 1027864257 /nfs/dbraw/zinc/86/42/57/1027864257.db2.gz UIYDBDRSWGWLRS-SJORKVTESA-N 1 3 349.247 3.865 20 0 EHADHO C[C@H](CN[C@H](C[C@H]1CCOC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000339068408 1027895113 /nfs/dbraw/zinc/89/51/13/1027895113.db2.gz PIEYIKLFIUKAQP-SFHLNBCPSA-N 1 3 330.516 3.866 20 0 EHADHO C[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)CN1CCCCC1 ZINC000339068408 1027895137 /nfs/dbraw/zinc/89/51/37/1027895137.db2.gz PIEYIKLFIUKAQP-SFHLNBCPSA-N 1 3 330.516 3.866 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000422773219 1027928736 /nfs/dbraw/zinc/92/87/36/1027928736.db2.gz ZMPYRDJKYSBPTL-ZDUSSCGKSA-N 1 3 333.476 3.821 20 0 EHADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cnccc1N ZINC000422801515 1027951981 /nfs/dbraw/zinc/95/19/81/1027951981.db2.gz FQUCLWKHPRYJRI-KRWDZBQOSA-N 1 3 338.499 3.577 20 0 EHADHO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422790357 1027963292 /nfs/dbraw/zinc/96/32/92/1027963292.db2.gz TXQNWCWJKURQGW-FOIQADDNSA-N 1 3 327.472 3.905 20 0 EHADHO COc1cccc([C@H](N[C@H](C)CCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422834521 1027975125 /nfs/dbraw/zinc/97/51/25/1027975125.db2.gz ZSWKTGLYFGXGPK-VLIAUNLRSA-N 1 3 346.446 3.649 20 0 EHADHO CCSc1ccccc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132903204 1027977409 /nfs/dbraw/zinc/97/74/09/1027977409.db2.gz ITPWBNKNKZYBDY-SJORKVTESA-N 1 3 348.556 3.950 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000422835436 1027977509 /nfs/dbraw/zinc/97/75/09/1027977509.db2.gz IWIAGZQSIFNCBC-TVSHIAKJSA-N 1 3 327.447 3.962 20 0 EHADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422839868 1027980644 /nfs/dbraw/zinc/98/06/44/1027980644.db2.gz AKPOGUQAIQDFMM-VHSSKADRSA-N 1 3 330.472 3.911 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000422904212 1028037645 /nfs/dbraw/zinc/03/76/45/1028037645.db2.gz PXEFZAOMJFRFHN-MAUKXSAKSA-N 1 3 329.419 3.620 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967718 1028078422 /nfs/dbraw/zinc/07/84/22/1028078422.db2.gz CGXCZTRMNNMVHU-WJFTUGDTSA-N 1 3 333.520 3.563 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967716 1028080366 /nfs/dbraw/zinc/08/03/66/1028080366.db2.gz CGXCZTRMNNMVHU-NCXUSEDFSA-N 1 3 333.520 3.563 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422947917 1028085749 /nfs/dbraw/zinc/08/57/49/1028085749.db2.gz QVTMLDPAVKDWMF-IAGOWNOFSA-N 1 3 338.904 3.834 20 0 EHADHO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCC2)cc1 ZINC000423030496 1028139464 /nfs/dbraw/zinc/13/94/64/1028139464.db2.gz JYWBOTAEUYHOHZ-OAHLLOKOSA-N 1 3 339.483 3.630 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423038951 1028143641 /nfs/dbraw/zinc/14/36/41/1028143641.db2.gz DSOYNHFEMHBTPP-IGCXYCKISA-N 1 3 342.314 3.550 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423101739 1028184815 /nfs/dbraw/zinc/18/48/15/1028184815.db2.gz JAUQMAGWKIWRNY-CYBMUJFWSA-N 1 3 342.874 3.808 20 0 EHADHO FC(F)(F)c1ccnc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423136502 1028221786 /nfs/dbraw/zinc/22/17/86/1028221786.db2.gz PGXHXTZERMNNDC-GVDBMIGSSA-N 1 3 341.421 3.543 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423136466 1028221898 /nfs/dbraw/zinc/22/18/98/1028221898.db2.gz VBZNGZRRYKJISW-CZUORRHYSA-N 1 3 337.305 3.588 20 0 EHADHO NC1(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCCCC1 ZINC000423185015 1028230879 /nfs/dbraw/zinc/23/08/79/1028230879.db2.gz UMCQLTNYFQWHSB-QZTJIDSGSA-N 1 3 336.907 3.681 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000423193130 1028261486 /nfs/dbraw/zinc/26/14/86/1028261486.db2.gz WPYDUPMUXLPXHR-AWEZNQCLSA-N 1 3 348.288 3.675 20 0 EHADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000423219426 1028285693 /nfs/dbraw/zinc/28/56/93/1028285693.db2.gz WQAJDSHGWXRYKE-XQQFMLRXSA-N 1 3 331.287 3.738 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C[C@H](C)CN)nc1 ZINC000423309198 1028344489 /nfs/dbraw/zinc/34/44/89/1028344489.db2.gz PRXQPSIISCFLRO-QRWLVFNGSA-N 1 3 345.918 3.636 20 0 EHADHO [NH3+]CCCCN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423315123 1028345689 /nfs/dbraw/zinc/34/56/89/1028345689.db2.gz AKPOQUJNSHILMD-IBGZPJMESA-N 1 3 346.858 3.529 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@@H](C)N)CCC3)cc1 ZINC000423436035 1028444255 /nfs/dbraw/zinc/44/42/55/1028444255.db2.gz FERLZVTVDOTSGT-TYNCELHUSA-N 1 3 331.485 3.521 20 0 EHADHO C[C@@H]1C[C@H](CN(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753646 1028545569 /nfs/dbraw/zinc/54/55/69/1028545569.db2.gz MROJBXVHKCQMGV-SPYBWZPUSA-N 1 3 344.890 3.539 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000249301789 1029012407 /nfs/dbraw/zinc/01/24/07/1029012407.db2.gz SHTIRJZUTRTSNK-IFMALSPDSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000249301789 1029012426 /nfs/dbraw/zinc/01/24/26/1029012426.db2.gz SHTIRJZUTRTSNK-IFMALSPDSA-N 1 3 343.559 3.528 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117350 1029062439 /nfs/dbraw/zinc/06/24/39/1029062439.db2.gz ZSWVPKFMYYUTFV-DLBZAZTESA-N 1 3 336.907 3.915 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000503117350 1029062458 /nfs/dbraw/zinc/06/24/58/1029062458.db2.gz ZSWVPKFMYYUTFV-DLBZAZTESA-N 1 3 336.907 3.915 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789275 1029079089 /nfs/dbraw/zinc/07/90/89/1029079089.db2.gz YINIJLNWGTWFFQ-QZTJIDSGSA-N 1 3 341.524 3.940 20 0 EHADHO c1nc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790346 1029085554 /nfs/dbraw/zinc/08/55/54/1029085554.db2.gz ZQAWSFFIPFGRDR-IRXDYDNUSA-N 1 3 327.497 3.632 20 0 EHADHO CC[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647936726 1029090738 /nfs/dbraw/zinc/09/07/38/1029090738.db2.gz KILFXNOPNAAYNC-CZUORRHYSA-N 1 3 330.394 3.534 20 0 EHADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cscn1 ZINC000271862053 1029205618 /nfs/dbraw/zinc/20/56/18/1029205618.db2.gz ZOSDNDKAEPEGOD-MRXNPFEDSA-N 1 3 345.512 3.511 20 0 EHADHO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272235457 1029373789 /nfs/dbraw/zinc/37/37/89/1029373789.db2.gz VNJOISGKLXNSKK-AVRDEDQJSA-N 1 3 348.490 3.963 20 0 EHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501143 1029487004 /nfs/dbraw/zinc/48/70/04/1029487004.db2.gz LKCXNRPDWBZKQG-FGZHOGPDSA-N 1 3 348.490 3.724 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663496 1029555700 /nfs/dbraw/zinc/55/57/00/1029555700.db2.gz ILTXTJAVTSJBOU-FGSXEWAUSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663496 1029555715 /nfs/dbraw/zinc/55/57/15/1029555715.db2.gz ILTXTJAVTSJBOU-FGSXEWAUSA-N 1 3 338.495 3.883 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851027 1029561795 /nfs/dbraw/zinc/56/17/95/1029561795.db2.gz OIMQSXODAWWEJL-LPHOPBHVSA-N 1 3 331.504 3.518 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000125820491 1029614148 /nfs/dbraw/zinc/61/41/48/1029614148.db2.gz UDGULMFSYHCEHA-WMZOPIPTSA-N 1 3 334.504 3.865 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000093115756 1029812296 /nfs/dbraw/zinc/81/22/96/1029812296.db2.gz FEVURROIVCUUKI-OAQYLSRUSA-N 1 3 342.458 3.933 20 0 EHADHO Clc1cccc(N2CCCC2)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887154 1029847031 /nfs/dbraw/zinc/84/70/31/1029847031.db2.gz ORMFXGCKHNWYFZ-UHFFFAOYSA-N 1 3 347.934 3.904 20 0 EHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000447044873 1029904989 /nfs/dbraw/zinc/90/49/89/1029904989.db2.gz PYVYIMGRHNFWKC-CYBMUJFWSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)[C@H]1CC[NH3+] ZINC000650711106 1030056210 /nfs/dbraw/zinc/05/62/10/1030056210.db2.gz ITIPXTRSMKOMBW-UTKZUKDTSA-N 1 3 339.483 3.610 20 0 EHADHO CN(C)c1ccccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525781595 1030115389 /nfs/dbraw/zinc/11/53/89/1030115389.db2.gz YNVXVPKLDKKVRL-HXUWFJFHSA-N 1 3 337.511 3.707 20 0 EHADHO CN(C)c1ccccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525781595 1030115397 /nfs/dbraw/zinc/11/53/97/1030115397.db2.gz YNVXVPKLDKKVRL-HXUWFJFHSA-N 1 3 337.511 3.707 20 0 EHADHO c1ccc(CN2C[C@H](C[NH2+]C[C@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771270 1030154991 /nfs/dbraw/zinc/15/49/91/1030154991.db2.gz ADPDSXZOVGEWDD-MOPGFXCFSA-N 1 3 330.541 3.631 20 0 EHADHO C[C@@H]1CC[C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000090937226 1030197962 /nfs/dbraw/zinc/19/79/62/1030197962.db2.gz YCTLYRKKSVCOCP-UZLBHIALSA-N 1 3 339.483 3.750 20 0 EHADHO CCCN1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000532195778 1030470992 /nfs/dbraw/zinc/47/09/92/1030470992.db2.gz DIDHFKZFIGHTFN-UHFFFAOYSA-N 1 3 342.483 3.960 20 0 EHADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883244 1030761840 /nfs/dbraw/zinc/76/18/40/1030761840.db2.gz WVMVBJRYKLFAID-QHAWAJNXSA-N 1 3 342.527 3.693 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000650757351 1030789744 /nfs/dbraw/zinc/78/97/44/1030789744.db2.gz VDVCSHAKUZOOQL-OAQYLSRUSA-N 1 3 336.479 3.898 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc(OC4CC4)c3F)C2)CC1 ZINC000668169486 1030833793 /nfs/dbraw/zinc/83/37/93/1030833793.db2.gz SJWLEKSODGWBIX-MRXNPFEDSA-N 1 3 332.463 3.531 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000551009953 1030908409 /nfs/dbraw/zinc/90/84/09/1030908409.db2.gz XRMMPOQCOOJLPU-UKAVVXHISA-N 1 3 329.532 3.532 20 0 EHADHO C[C@@H](NCCC1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000650762312 1030923563 /nfs/dbraw/zinc/92/35/63/1030923563.db2.gz ZUNZPLSJECKPBU-CYBMUJFWSA-N 1 3 333.476 3.990 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2COc3ccccc3C2)CC1 ZINC000551050129 1031003956 /nfs/dbraw/zinc/00/39/56/1031003956.db2.gz FLQQLEBDVDLTPA-LAUBAEHRSA-N 1 3 336.479 3.805 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCSCC[C@@H]2C)CC1 ZINC000483425257 1031157251 /nfs/dbraw/zinc/15/72/51/1031157251.db2.gz HOQMPKPYLWAGHP-SFHVURJKSA-N 1 3 347.572 3.546 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCSCC[C@@H]2C)CC1 ZINC000483425257 1031157259 /nfs/dbraw/zinc/15/72/59/1031157259.db2.gz HOQMPKPYLWAGHP-SFHVURJKSA-N 1 3 347.572 3.546 20 0 EHADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000343517199 1031212157 /nfs/dbraw/zinc/21/21/57/1031212157.db2.gz RTMFAWDOPDPBIE-SFHVURJKSA-N 1 3 328.431 3.673 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666995433 1031446669 /nfs/dbraw/zinc/44/66/69/1031446669.db2.gz NTUZJLRATBZUTJ-ZBFHGGJFSA-N 1 3 349.906 3.630 20 0 EHADHO CCc1ccc([C@@H](CC)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132942589 1031463036 /nfs/dbraw/zinc/46/30/36/1031463036.db2.gz XZCWGONQRLXLRA-WIYYLYMNSA-N 1 3 330.516 3.791 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960661 1031523990 /nfs/dbraw/zinc/52/39/90/1031523990.db2.gz CWLWKHDRRIIUJG-LAUBAEHRSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cn(C)nc2c1 ZINC000527960661 1031524004 /nfs/dbraw/zinc/52/40/04/1031524004.db2.gz CWLWKHDRRIIUJG-LAUBAEHRSA-N 1 3 348.494 3.574 20 0 EHADHO CN(Cc1ccc(C(C)(C)C)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685458017 1033348808 /nfs/dbraw/zinc/34/88/08/1033348808.db2.gz XRVSLBVVSZOFMG-KRWDZBQOSA-N 1 3 349.588 3.646 20 0 EHADHO CN(Cc1ccc(C(C)(C)C)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685458017 1033348815 /nfs/dbraw/zinc/34/88/15/1033348815.db2.gz XRVSLBVVSZOFMG-KRWDZBQOSA-N 1 3 349.588 3.646 20 0 EHADHO CCc1nn(C)cc1CN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000685462613 1033357021 /nfs/dbraw/zinc/35/70/21/1033357021.db2.gz GVIMMBRNURHHML-UHFFFAOYSA-N 1 3 334.552 3.563 20 0 EHADHO CCc1nn(C)cc1CN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000685462613 1033357033 /nfs/dbraw/zinc/35/70/33/1033357033.db2.gz GVIMMBRNURHHML-UHFFFAOYSA-N 1 3 334.552 3.563 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000708584873 1033573782 /nfs/dbraw/zinc/57/37/82/1033573782.db2.gz FHJRUDGNZLZZNZ-FYZZASKESA-N 1 3 342.527 3.692 20 0 EHADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000595035622 1033655509 /nfs/dbraw/zinc/65/55/09/1033655509.db2.gz YIJCUKZHJBLRNG-GVDBMIGSSA-N 1 3 338.536 3.597 20 0 EHADHO C[C@H](CSCCF)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000595037526 1033657848 /nfs/dbraw/zinc/65/78/48/1033657848.db2.gz GYIGWVJNEVHMMI-MJGOQNOKSA-N 1 3 338.536 3.970 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000685665215 1033716811 /nfs/dbraw/zinc/71/68/11/1033716811.db2.gz OINCMFZFGPYXJQ-AZUAARDMSA-N 1 3 330.516 3.693 20 0 EHADHO COC1CC(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000658054855 1033886434 /nfs/dbraw/zinc/88/64/34/1033886434.db2.gz FGQABJJHLACBNB-DHCGTZGXSA-N 1 3 342.527 3.692 20 0 EHADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658140626 1034005806 /nfs/dbraw/zinc/00/58/06/1034005806.db2.gz VOKKLYINXXYCDO-OALUTQOASA-N 1 3 330.497 3.556 20 0 EHADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1 ZINC000658140626 1034005822 /nfs/dbraw/zinc/00/58/22/1034005822.db2.gz VOKKLYINXXYCDO-OALUTQOASA-N 1 3 330.497 3.556 20 0 EHADHO CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000658165776 1034029449 /nfs/dbraw/zinc/02/94/49/1034029449.db2.gz LSXCBZRMJPIXOB-NRFANRHFSA-N 1 3 338.499 3.820 20 0 EHADHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227169 1034085621 /nfs/dbraw/zinc/08/56/21/1034085621.db2.gz SZEOPQCLOUSJOL-AEFFLSMTSA-N 1 3 346.515 3.631 20 0 EHADHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227169 1034085637 /nfs/dbraw/zinc/08/56/37/1034085637.db2.gz SZEOPQCLOUSJOL-AEFFLSMTSA-N 1 3 346.515 3.631 20 0 EHADHO C[C@H](c1cccc2ccccc21)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388748 1034360208 /nfs/dbraw/zinc/36/02/08/1034360208.db2.gz NIFZNSFBKUCUAK-UYAOXDASSA-N 1 3 337.511 3.613 20 0 EHADHO C[C@H](c1cccc2ccccc21)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388748 1034360214 /nfs/dbraw/zinc/36/02/14/1034360214.db2.gz NIFZNSFBKUCUAK-UYAOXDASSA-N 1 3 337.511 3.613 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(CC)CC ZINC000605425228 1034724000 /nfs/dbraw/zinc/72/40/00/1034724000.db2.gz CWFZACYVUIBWIX-XLIONFOSSA-N 1 3 345.531 3.977 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(CC)CC ZINC000605425228 1034724009 /nfs/dbraw/zinc/72/40/09/1034724009.db2.gz CWFZACYVUIBWIX-XLIONFOSSA-N 1 3 345.531 3.977 20 0 EHADHO C[C@H]([NH2+]CCOc1ccccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492372017 1035719488 /nfs/dbraw/zinc/71/94/88/1035719488.db2.gz FKFZKJCHICWUBT-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492372017 1035719501 /nfs/dbraw/zinc/71/95/01/1035719501.db2.gz FKFZKJCHICWUBT-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](NCCOc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372017 1035719519 /nfs/dbraw/zinc/71/95/19/1035719519.db2.gz FKFZKJCHICWUBT-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](c1cccc(Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963247 1035731337 /nfs/dbraw/zinc/73/13/37/1035731337.db2.gz OXBNZSMPJVHKRN-INIZCTEOSA-N 1 3 336.907 3.978 20 0 EHADHO C[C@@H]([NH2+]Cc1ccccc1N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492420727 1035758279 /nfs/dbraw/zinc/75/82/79/1035758279.db2.gz FWVOXSUGYAHKAI-NQIIRXRSSA-N 1 3 337.511 3.753 20 0 EHADHO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)ccn1 ZINC000623573687 1035872970 /nfs/dbraw/zinc/87/29/70/1035872970.db2.gz RKPJABVSARPHJF-NRFANRHFSA-N 1 3 335.495 3.782 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000588755039 1036025412 /nfs/dbraw/zinc/02/54/12/1036025412.db2.gz LVEGGVKKIVUSCX-JBYIUTFZSA-N 1 3 342.527 3.885 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](O)CCc3ccccc3)CC2)C1 ZINC000542463583 1036475838 /nfs/dbraw/zinc/47/58/38/1036475838.db2.gz CBRUBKWZQNZDKN-STZQEDGTSA-N 1 3 344.543 3.613 20 0 EHADHO COc1cccc(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168394783 1036642262 /nfs/dbraw/zinc/64/22/62/1036642262.db2.gz HLNBTNWITJNVQZ-UHFFFAOYSA-N 1 3 328.500 3.749 20 0 EHADHO C[C@H](NCc1cc(F)cc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177718627 1036921184 /nfs/dbraw/zinc/92/11/84/1036921184.db2.gz KMXNHUJXRXQFEB-AWEZNQCLSA-N 1 3 334.410 3.756 20 0 EHADHO Cc1c[nH+]ccc1N1CCN([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168192882 1037175978 /nfs/dbraw/zinc/17/59/78/1037175978.db2.gz NZMBKHCTIKCLJA-MRXNPFEDSA-N 1 3 329.875 3.797 20 0 EHADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(F)cc2Br)CC1 ZINC000223196228 1037264089 /nfs/dbraw/zinc/26/40/89/1037264089.db2.gz KBYDZWMUFKYIFL-GFCCVEGCSA-N 1 3 343.284 3.971 20 0 EHADHO CCc1ccccc1[C@H](N)C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423503136 1037517297 /nfs/dbraw/zinc/51/72/97/1037517297.db2.gz MPKFKDOCPLQDCT-FCEUIQTBSA-N 1 3 337.511 3.674 20 0 EHADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OCc1cccs1 ZINC000491549074 1037550062 /nfs/dbraw/zinc/55/00/62/1037550062.db2.gz UVWSNJYIWXDDKQ-OAHLLOKOSA-N 1 3 348.512 3.623 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000540161208 1037619518 /nfs/dbraw/zinc/61/95/18/1037619518.db2.gz PMFOKCBTSXUMJY-IGNZVWTISA-N 1 3 340.870 3.508 20 0 EHADHO CCc1cnccc1[C@H](C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540315045 1037804060 /nfs/dbraw/zinc/80/40/60/1037804060.db2.gz ADCKDTFBPJXDAR-IRXDYDNUSA-N 1 3 341.499 3.996 20 0 EHADHO COc1cccc([C@H](C)[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000173209656 1037976631 /nfs/dbraw/zinc/97/66/31/1037976631.db2.gz IDNWHPDGAZTZFW-BZSNNMDCSA-N 1 3 346.515 3.577 20 0 EHADHO COCc1ccccc1/C=C(\C)CNCC1(C[NH+](C)C)CCCC1 ZINC000512511118 1039547567 /nfs/dbraw/zinc/54/75/67/1039547567.db2.gz CGWLJAGQOZTERK-QGOAFFKASA-N 1 3 330.516 3.948 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000549686831 1039680280 /nfs/dbraw/zinc/68/02/80/1039680280.db2.gz CIVHQEOPJTVPOK-CEXWTWQISA-N 1 3 338.536 3.743 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000480614707 1039758821 /nfs/dbraw/zinc/75/88/21/1039758821.db2.gz ODJHKBPFYAOGCG-NXLVEIQXSA-N 1 3 343.559 3.607 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(Br)o2)C1 ZINC000480641070 1039799376 /nfs/dbraw/zinc/79/93/76/1039799376.db2.gz YKFSHWGLBBOZHT-KBPBESRZSA-N 1 3 343.309 3.890 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000480754407 1039982521 /nfs/dbraw/zinc/98/25/21/1039982521.db2.gz KLRULSUVLJSOIW-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000480754407 1039982533 /nfs/dbraw/zinc/98/25/33/1039982533.db2.gz KLRULSUVLJSOIW-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000563425605 1040223236 /nfs/dbraw/zinc/22/32/36/1040223236.db2.gz OVPLOZXAGWQHMK-BNOWGMLFSA-N 1 3 343.334 3.789 20 0 EHADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000166536111 1040332558 /nfs/dbraw/zinc/33/25/58/1040332558.db2.gz FBVSQRIZLOYCLZ-GFCCVEGCSA-N 1 3 348.288 3.557 20 0 EHADHO c1cc(CN[C@H]2CO[C@H](C3CC3)C2)cc(C[NH+]2CCCCCC2)c1 ZINC000667821915 1040377066 /nfs/dbraw/zinc/37/70/66/1040377066.db2.gz QKGVMMGSVXYINF-RTWAWAEBSA-N 1 3 328.500 3.720 20 0 EHADHO CC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000512649851 1040396059 /nfs/dbraw/zinc/39/60/59/1040396059.db2.gz UZUJAKOFUSKIDH-PWRODBHTSA-N 1 3 342.527 3.693 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294183 1040617940 /nfs/dbraw/zinc/61/79/40/1040617940.db2.gz KBNJGZBTLSSNQV-SUMDDJOVSA-N 1 3 334.479 3.792 20 0 EHADHO COc1cccc(C2(F)CC[NH+](CC[C@H]3CCCCN3C)CC2)c1 ZINC000500172310 1040663546 /nfs/dbraw/zinc/66/35/46/1040663546.db2.gz QAMAOJMWPWIYLU-GOSISDBHSA-N 1 3 334.479 3.830 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CO)CC3(CCC3)C2)CC1 ZINC000433087316 1040698899 /nfs/dbraw/zinc/69/88/99/1040698899.db2.gz IOMFKTBQZHKPFD-HKUYNNGSSA-N 1 3 334.548 3.562 20 0 EHADHO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000571292711 1041259215 /nfs/dbraw/zinc/25/92/15/1041259215.db2.gz QYNWENUSGLVBII-DYXWJJEUSA-N 1 3 331.548 3.750 20 0 EHADHO Brc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157586879 1041278639 /nfs/dbraw/zinc/27/86/39/1041278639.db2.gz RVKOFRREORUIMA-ZLGJRNTRSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157586879 1041278651 /nfs/dbraw/zinc/27/86/51/1041278651.db2.gz RVKOFRREORUIMA-ZLGJRNTRSA-N 1 3 349.316 3.912 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCC(=O)OC(C)(C)C)CC2)C1 ZINC000512963738 1041305253 /nfs/dbraw/zinc/30/52/53/1041305253.db2.gz IHPUSGZYRMCWOO-FUHWJXTLSA-N 1 3 338.536 3.741 20 0 EHADHO C[N@@H+](Cc1cc2cnccc2o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000651639283 1041826398 /nfs/dbraw/zinc/82/63/98/1041826398.db2.gz YCGOXOBVSLDLCM-SFHVURJKSA-N 1 3 335.451 3.782 20 0 EHADHO C[N@H+](Cc1cc2cnccc2o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000651639283 1041826404 /nfs/dbraw/zinc/82/64/04/1041826404.db2.gz YCGOXOBVSLDLCM-SFHVURJKSA-N 1 3 335.451 3.782 20 0 EHADHO C[C@H](NCc1ccc(Br)c(F)c1F)C1CC[NH+](C)CC1 ZINC000624162042 1042412108 /nfs/dbraw/zinc/41/21/08/1042412108.db2.gz PGAKGVNCJCFYNZ-JTQLQIEISA-N 1 3 347.247 3.547 20 0 EHADHO c1csc(CN(Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662249099 1042633310 /nfs/dbraw/zinc/63/33/10/1042633310.db2.gz OWRWWCOVMSDRDE-SFHVURJKSA-N 1 3 342.508 3.575 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298482 1042665968 /nfs/dbraw/zinc/66/59/68/1042665968.db2.gz WIPISPUZRNXJST-INIZCTEOSA-N 1 3 345.512 3.923 20 0 EHADHO C[C@@H](c1cccc2ccccc21)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321433 1042684335 /nfs/dbraw/zinc/68/43/35/1042684335.db2.gz IEYMKZLUJOXDOO-PKOBYXMFSA-N 1 3 326.484 3.943 20 0 EHADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000278864960 1042749730 /nfs/dbraw/zinc/74/97/30/1042749730.db2.gz WOPLCMMAZFVVLN-KJJMTIBFSA-N 1 3 342.527 3.838 20 0 EHADHO C[NH+](C)C1CCC(NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000643296057 1042750155 /nfs/dbraw/zinc/75/01/55/1042750155.db2.gz DGGMNMDMCFAYBZ-UHFFFAOYSA-N 1 3 332.822 3.904 20 0 EHADHO Cc1cc(C)c(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000303109935 1042913154 /nfs/dbraw/zinc/91/31/54/1042913154.db2.gz BHNLABREYPPFOA-BGYRXZFFSA-N 1 3 344.543 3.933 20 0 EHADHO C[C@@H]1C[N@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418363 1043140225 /nfs/dbraw/zinc/14/02/25/1043140225.db2.gz RLLMAEFXGFZFKF-BEFAXECRSA-N 1 3 336.907 3.882 20 0 EHADHO C[C@@H]1C[N@@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418363 1043140228 /nfs/dbraw/zinc/14/02/28/1043140228.db2.gz RLLMAEFXGFZFKF-BEFAXECRSA-N 1 3 336.907 3.882 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432425523 1043174891 /nfs/dbraw/zinc/17/48/91/1043174891.db2.gz NAOMOVPFDYKZCJ-ZWKOTPCHSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432425523 1043174897 /nfs/dbraw/zinc/17/48/97/1043174897.db2.gz NAOMOVPFDYKZCJ-ZWKOTPCHSA-N 1 3 334.504 3.625 20 0 EHADHO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1OC ZINC000623363146 1126930166 /nfs/dbraw/zinc/93/01/66/1126930166.db2.gz BSXXIJOBAVRXLH-CQSZACIVSA-N 1 3 340.895 3.710 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623449291 1126958487 /nfs/dbraw/zinc/95/84/87/1126958487.db2.gz PSMXLMXRFGKDBB-IZZBFERCSA-N 1 3 343.559 3.605 20 0 EHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525547 1126975235 /nfs/dbraw/zinc/97/52/35/1126975235.db2.gz RCNAMLBKVTYYHL-QUCCMNQESA-N 1 3 347.547 3.539 20 0 EHADHO CC(C)Oc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525547 1126975237 /nfs/dbraw/zinc/97/52/37/1126975237.db2.gz RCNAMLBKVTYYHL-QUCCMNQESA-N 1 3 347.547 3.539 20 0 EHADHO C[C@H](c1ccc2ccccc2c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177379790 1126981477 /nfs/dbraw/zinc/98/14/77/1126981477.db2.gz FBKXDGZJRSHWNC-GOSISDBHSA-N 1 3 339.527 3.859 20 0 EHADHO C[C@H](c1ccc2ccccc2c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177379790 1126981480 /nfs/dbraw/zinc/98/14/80/1126981480.db2.gz FBKXDGZJRSHWNC-GOSISDBHSA-N 1 3 339.527 3.859 20 0 EHADHO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccoc1 ZINC000178759145 1127029961 /nfs/dbraw/zinc/02/99/61/1127029961.db2.gz OOQHKWQVADTLRF-HUUCEWRRSA-N 1 3 331.435 3.582 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000181340929 1127274219 /nfs/dbraw/zinc/27/42/19/1127274219.db2.gz KFCBWJOYPBIRJE-UHFFFAOYSA-N 1 3 346.302 3.620 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]C2CCN(CC(C)C)CC2)cc1F ZINC000185271401 1127423744 /nfs/dbraw/zinc/42/37/44/1127423744.db2.gz BWURTHLZZMWVJJ-INIZCTEOSA-N 1 3 336.495 3.723 20 0 EHADHO COc1ccccc1CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185687900 1127430396 /nfs/dbraw/zinc/43/03/96/1127430396.db2.gz WNHJMGDCJSQNJP-IEBWSBKVSA-N 1 3 330.516 3.870 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921625360 1127894416 /nfs/dbraw/zinc/89/44/16/1127894416.db2.gz SJIXQBFJJZHHQM-GOSISDBHSA-N 1 3 325.456 3.695 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303678116 1128687219 /nfs/dbraw/zinc/68/72/19/1128687219.db2.gz IGTOTMAOJFCXAO-MOPGFXCFSA-N 1 3 338.536 3.696 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678116 1128687220 /nfs/dbraw/zinc/68/72/20/1128687220.db2.gz IGTOTMAOJFCXAO-MOPGFXCFSA-N 1 3 338.536 3.696 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2cc(OC)c(OC)cc2C)c1 ZINC000083455345 1120135432 /nfs/dbraw/zinc/13/54/32/1120135432.db2.gz MCJPGTPEGCHYNG-UHFFFAOYSA-N 1 3 342.483 3.754 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(OC)c(OC)cc2C)c1 ZINC000083455345 1120135434 /nfs/dbraw/zinc/13/54/34/1120135434.db2.gz MCJPGTPEGCHYNG-UHFFFAOYSA-N 1 3 342.483 3.754 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2C)C1 ZINC001648959676 1120280780 /nfs/dbraw/zinc/28/07/80/1120280780.db2.gz CLHAKUPUYAIOGK-CQSZACIVSA-N 1 3 325.294 3.579 20 0 EHADHO [O-]c1cc(F)cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000185490902 1120416734 /nfs/dbraw/zinc/41/67/34/1120416734.db2.gz MIXSKGZBTWVVJE-UHFFFAOYSA-N 1 3 328.431 3.533 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)Cc2cccc3ccccc32)CC1 ZINC000191450526 1120674181 /nfs/dbraw/zinc/67/41/81/1120674181.db2.gz WMQVTJGLUWXSIU-UHFFFAOYSA-N 1 3 339.527 3.688 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2cccc3ccccc32)CC1 ZINC000191450526 1120674183 /nfs/dbraw/zinc/67/41/83/1120674183.db2.gz WMQVTJGLUWXSIU-UHFFFAOYSA-N 1 3 339.527 3.688 20 0 EHADHO CC(C)c1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192719896 1120744883 /nfs/dbraw/zinc/74/48/83/1120744883.db2.gz SZVPKUYGYJZOLW-UHFFFAOYSA-N 1 3 331.548 3.658 20 0 EHADHO CC(C)c1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192719896 1120744887 /nfs/dbraw/zinc/74/48/87/1120744887.db2.gz SZVPKUYGYJZOLW-UHFFFAOYSA-N 1 3 331.548 3.658 20 0 EHADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000192759037 1120747751 /nfs/dbraw/zinc/74/77/51/1120747751.db2.gz MCLSFUUADGYCCK-QFIPXVFZSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000192759037 1120747756 /nfs/dbraw/zinc/74/77/56/1120747756.db2.gz MCLSFUUADGYCCK-QFIPXVFZSA-N 1 3 343.559 3.856 20 0 EHADHO C[C@H]1CN(Cc2ccc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC001205136101 1121273939 /nfs/dbraw/zinc/27/39/39/1121273939.db2.gz NVTWCRJNPYESFO-GXTWGEPZSA-N 1 3 349.272 3.736 20 0 EHADHO C[C@@](CO)(CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000477863966 1128987346 /nfs/dbraw/zinc/98/73/46/1128987346.db2.gz PHBYKNMLHISDNJ-QFIPXVFZSA-N 1 3 344.543 3.614 20 0 EHADHO Cc1ccsc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397629224 1121837233 /nfs/dbraw/zinc/83/72/33/1121837233.db2.gz MOTYQKHBUDBWKZ-QGZVFWFLSA-N 1 3 344.524 3.734 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000125774675 1122336861 /nfs/dbraw/zinc/33/68/61/1122336861.db2.gz BXFOAISSNRFWBY-HOTGVXAUSA-N 1 3 343.515 3.687 20 0 EHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125887529 1122354008 /nfs/dbraw/zinc/35/40/08/1122354008.db2.gz ADPRIIDCSQCJQU-KDOFPFPSSA-N 1 3 345.531 3.933 20 0 EHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000126537834 1122411303 /nfs/dbraw/zinc/41/13/03/1122411303.db2.gz QICYJCBLBVYYPV-RDTXWAMCSA-N 1 3 334.891 3.936 20 0 EHADHO FC(F)(F)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000556922687 1123210663 /nfs/dbraw/zinc/21/06/63/1123210663.db2.gz FTPLRWWSOBJIDR-GVDBMIGSSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556922687 1123210666 /nfs/dbraw/zinc/21/06/66/1123210666.db2.gz FTPLRWWSOBJIDR-GVDBMIGSSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556922687 1123210669 /nfs/dbraw/zinc/21/06/69/1123210669.db2.gz FTPLRWWSOBJIDR-GVDBMIGSSA-N 1 3 338.417 3.829 20 0 EHADHO CC(C)CCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245646667 1123908375 /nfs/dbraw/zinc/90/83/75/1123908375.db2.gz BSUGIVGNHRTIJD-MZADTFQBSA-N 1 3 330.516 3.834 20 0 EHADHO CC(C)CCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245646667 1123908380 /nfs/dbraw/zinc/90/83/80/1123908380.db2.gz BSUGIVGNHRTIJD-MZADTFQBSA-N 1 3 330.516 3.834 20 0 EHADHO C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000421845825 1129178831 /nfs/dbraw/zinc/17/88/31/1129178831.db2.gz YAUJMIROPINPQD-UHOSZYNNSA-N 1 3 327.516 3.572 20 0 EHADHO C[C@H](CCc1cccc(F)c1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247098926 1124587811 /nfs/dbraw/zinc/58/78/11/1124587811.db2.gz SFBSUULTTTZEGR-SQNIBIBYSA-N 1 3 336.495 3.626 20 0 EHADHO CCCN(Cc1ccc(Br)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836555 1125033085 /nfs/dbraw/zinc/03/30/85/1125033085.db2.gz XHJLKALYVLUWNY-OAHLLOKOSA-N 1 3 325.294 3.579 20 0 EHADHO C[N@H+](CCCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 ZINC000499903431 1129563253 /nfs/dbraw/zinc/56/32/53/1129563253.db2.gz AETGDFKXNPOLIL-UHFFFAOYSA-N 1 3 330.394 3.545 20 0 EHADHO C[N@@H+](CCCN1CCCC1)CCc1cccc(OC(F)(F)F)c1 ZINC000499903431 1129563257 /nfs/dbraw/zinc/56/32/57/1129563257.db2.gz AETGDFKXNPOLIL-UHFFFAOYSA-N 1 3 330.394 3.545 20 0 EHADHO Cc1c(Br)cccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922684378 1129625357 /nfs/dbraw/zinc/62/53/57/1129625357.db2.gz IODQSNWWLHTNEJ-HZPDHXFCSA-N 1 3 337.305 3.516 20 0 EHADHO Cc1c(Br)cccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922684378 1129625359 /nfs/dbraw/zinc/62/53/59/1129625359.db2.gz IODQSNWWLHTNEJ-HZPDHXFCSA-N 1 3 337.305 3.516 20 0 EHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994213 1129677087 /nfs/dbraw/zinc/67/70/87/1129677087.db2.gz OYVITJVIRYALSC-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000428994213 1129677090 /nfs/dbraw/zinc/67/70/90/1129677090.db2.gz OYVITJVIRYALSC-JOCHJYFZSA-N 1 3 336.479 3.793 20 0 EHADHO CCn1nc(CNC2CCC(C)([NH+]3CCC3)CC2)c2ccccc21 ZINC000922846365 1129688938 /nfs/dbraw/zinc/68/89/38/1129688938.db2.gz YQNMOMQKDWGDDZ-UHFFFAOYSA-N 1 3 326.488 3.553 20 0 EHADHO CC(C)OCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001172442879 1131743529 /nfs/dbraw/zinc/74/35/29/1131743529.db2.gz VYTYHTJUGWQALH-KRWDZBQOSA-N 1 3 336.495 3.831 20 0 EHADHO CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC001172458433 1131750493 /nfs/dbraw/zinc/75/04/93/1131750493.db2.gz YUURBXXWKZUDKP-WSWWRLHASA-N 1 3 344.543 3.938 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173113979 1131971467 /nfs/dbraw/zinc/97/14/67/1131971467.db2.gz QPUZNWSUGWUTGU-XVAXZDLZSA-N 1 3 330.516 3.583 20 0 EHADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC001173651963 1132122272 /nfs/dbraw/zinc/12/22/72/1132122272.db2.gz POTDGVQIGDXNEM-NSHGMRRFSA-N 1 3 348.531 3.519 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122617 1132664469 /nfs/dbraw/zinc/66/44/69/1132664469.db2.gz BTZWNWBWGDQJRM-HLPPOEQASA-N 1 3 339.405 3.766 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3noc4ccc(F)cc43)CC1)C2 ZINC001169147100 1132676153 /nfs/dbraw/zinc/67/61/53/1132676153.db2.gz SROJFMOCAFZXQG-BJWYYQGGSA-N 1 3 343.446 3.772 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3noc4ccc(F)cc43)CC1)C2 ZINC001169147100 1132676160 /nfs/dbraw/zinc/67/61/60/1132676160.db2.gz SROJFMOCAFZXQG-BJWYYQGGSA-N 1 3 343.446 3.772 20 0 EHADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715555 1132741994 /nfs/dbraw/zinc/74/19/94/1132741994.db2.gz QESIXQLZVNNQAI-WBVHZDCISA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715555 1132741998 /nfs/dbraw/zinc/74/19/98/1132741998.db2.gz QESIXQLZVNNQAI-WBVHZDCISA-N 1 3 338.923 3.609 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206012475 1132777298 /nfs/dbraw/zinc/77/72/98/1132777298.db2.gz LVLWUSPGZUMDFY-STQMWFEESA-N 1 3 343.284 3.703 20 0 EHADHO COCC[N@H+](C)CCCNCc1ccc(-c2ccccc2F)s1 ZINC001177245484 1133045237 /nfs/dbraw/zinc/04/52/37/1133045237.db2.gz SNCKKQVZNYXKEI-UHFFFAOYSA-N 1 3 336.476 3.612 20 0 EHADHO COCC[N@@H+](C)CCCNCc1ccc(-c2ccccc2F)s1 ZINC001177245484 1133045240 /nfs/dbraw/zinc/04/52/40/1133045240.db2.gz SNCKKQVZNYXKEI-UHFFFAOYSA-N 1 3 336.476 3.612 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000769483171 1133287651 /nfs/dbraw/zinc/28/76/51/1133287651.db2.gz GUPUBRGFAZLLHD-BLLLJJGKSA-N 1 3 346.544 3.779 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000769483171 1133287654 /nfs/dbraw/zinc/28/76/54/1133287654.db2.gz GUPUBRGFAZLLHD-BLLLJJGKSA-N 1 3 346.544 3.779 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccn3C)C[C@H]21 ZINC001203260654 1133354837 /nfs/dbraw/zinc/35/48/37/1133354837.db2.gz ZPPXREJJFBQPIK-NSISKUIASA-N 1 3 343.540 3.819 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccn3C)C[C@H]21 ZINC001203260654 1133354843 /nfs/dbraw/zinc/35/48/43/1133354843.db2.gz ZPPXREJJFBQPIK-NSISKUIASA-N 1 3 343.540 3.819 20 0 EHADHO CC(C)[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC001181826158 1133536844 /nfs/dbraw/zinc/53/68/44/1133536844.db2.gz ALCNHRFKZXRUCO-SFHVURJKSA-N 1 3 338.923 3.862 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001182044117 1133565946 /nfs/dbraw/zinc/56/59/46/1133565946.db2.gz VHICVOVXGHPRGE-ORFBVSJDSA-N 1 3 342.527 3.803 20 0 EHADHO Cc1cc(C)cc(CC[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC001182781799 1133733743 /nfs/dbraw/zinc/73/37/43/1133733743.db2.gz NXBISBOYBZEOAU-UHFFFAOYSA-N 1 3 337.511 3.743 20 0 EHADHO CC(C)(C)[C@@]1(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001183643751 1133834566 /nfs/dbraw/zinc/83/45/66/1133834566.db2.gz WPIVVEFZFBSRNK-VWPQPMDRSA-N 1 3 342.527 3.503 20 0 EHADHO CC(C)(C)[C@@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC001183643751 1133834570 /nfs/dbraw/zinc/83/45/70/1133834570.db2.gz WPIVVEFZFBSRNK-VWPQPMDRSA-N 1 3 342.527 3.503 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC001184388040 1133934034 /nfs/dbraw/zinc/93/40/34/1133934034.db2.gz PATMVWGUBBCDRL-NQZOLGFYSA-N 1 3 326.406 3.739 20 0 EHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cc[nH]c(=O)c1 ZINC000788778560 1134174016 /nfs/dbraw/zinc/17/40/16/1134174016.db2.gz SUEILKFNTXKCNH-QGZVFWFLSA-N 1 3 339.483 3.870 20 0 EHADHO COc1c(C)cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000793203686 1134882891 /nfs/dbraw/zinc/88/28/91/1134882891.db2.gz XMTXAIBSLNXHFM-HXUWFJFHSA-N 1 3 338.495 3.924 20 0 EHADHO COc1c(C)cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000793203686 1134882897 /nfs/dbraw/zinc/88/28/97/1134882897.db2.gz XMTXAIBSLNXHFM-HXUWFJFHSA-N 1 3 338.495 3.924 20 0 EHADHO C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775495808 1134951271 /nfs/dbraw/zinc/95/12/71/1134951271.db2.gz CFKGKPQKPYYGQF-DENIHFKCSA-N 1 3 349.522 3.549 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806173774 1135398169 /nfs/dbraw/zinc/39/81/69/1135398169.db2.gz ZZQGTTXKCVWIRQ-INIZCTEOSA-N 1 3 344.421 3.591 20 0 EHADHO Cc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1C ZINC001170524969 1135546349 /nfs/dbraw/zinc/54/63/49/1135546349.db2.gz PSYFFSKTYVANRZ-UHFFFAOYSA-N 1 3 348.494 3.608 20 0 EHADHO CCc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528773 1135556551 /nfs/dbraw/zinc/55/65/51/1135556551.db2.gz RWABVIZCWATCEI-UHFFFAOYSA-N 1 3 348.494 3.554 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccccc1N1CCCCC1)C2 ZINC000809705202 1135875205 /nfs/dbraw/zinc/87/52/05/1135875205.db2.gz PFIVESYUQORHRV-YOFSQIOKSA-N 1 3 327.516 3.734 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccccc1N1CCCCC1)C2 ZINC000809705202 1135875206 /nfs/dbraw/zinc/87/52/06/1135875206.db2.gz PFIVESYUQORHRV-YOFSQIOKSA-N 1 3 327.516 3.734 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC001199972637 1135942137 /nfs/dbraw/zinc/94/21/37/1135942137.db2.gz WMLGWTQOBSPZRC-FQEVSTJZSA-N 1 3 340.467 3.631 20 0 EHADHO C[C@H](CC(=O)Nc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001200864889 1135961324 /nfs/dbraw/zinc/96/13/24/1135961324.db2.gz ZHSKURJOBFJDAH-QGZVFWFLSA-N 1 3 343.515 3.790 20 0 EHADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201435263 1136023737 /nfs/dbraw/zinc/02/37/37/1136023737.db2.gz QILZSBJXEZETCE-IBGZPJMESA-N 1 3 330.516 3.788 20 0 EHADHO CC[C@@H](C)CN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201510103 1136030939 /nfs/dbraw/zinc/03/09/39/1136030939.db2.gz XPTWOVWISNYDAS-AEFFLSMTSA-N 1 3 337.458 3.661 20 0 EHADHO CC[C@@H](C)CN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201510103 1136030942 /nfs/dbraw/zinc/03/09/42/1136030942.db2.gz XPTWOVWISNYDAS-AEFFLSMTSA-N 1 3 337.458 3.661 20 0 EHADHO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850528695 1136279090 /nfs/dbraw/zinc/27/90/90/1136279090.db2.gz MNFCKVIDGDFTIA-FBRLZHCOSA-N 1 3 336.479 3.665 20 0 EHADHO O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21 ZINC000850528875 1136279122 /nfs/dbraw/zinc/27/91/22/1136279122.db2.gz NUBIXVBHAVJOFU-GWWNCLRWSA-N 1 3 348.490 3.950 20 0 EHADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000818954541 1136895106 /nfs/dbraw/zinc/89/51/06/1136895106.db2.gz WZFFSAXPSWDRFF-FQEVSTJZSA-N 1 3 344.886 3.759 20 0 EHADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015225 1136931977 /nfs/dbraw/zinc/93/19/77/1136931977.db2.gz SZHDFZPLRNJYLC-VQTJNVASSA-N 1 3 343.515 3.677 20 0 EHADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015225 1136931980 /nfs/dbraw/zinc/93/19/80/1136931980.db2.gz SZHDFZPLRNJYLC-VQTJNVASSA-N 1 3 343.515 3.677 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccnc(CO)c2)cc1 ZINC000858350376 1136960835 /nfs/dbraw/zinc/96/08/35/1136960835.db2.gz UCLJTRXNXIZXSC-MRXNPFEDSA-N 1 3 325.456 3.560 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccnc(CO)c2)cc1 ZINC000858350376 1136960838 /nfs/dbraw/zinc/96/08/38/1136960838.db2.gz UCLJTRXNXIZXSC-MRXNPFEDSA-N 1 3 325.456 3.560 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cccc(CN)n3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171030330 1137112929 /nfs/dbraw/zinc/11/29/29/1137112929.db2.gz LMHQOZYUOXMMTI-VFCLNGDNSA-N 1 3 344.547 3.911 20 0 EHADHO C[N@@H+]1CC[C@@H](NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367767 1137140694 /nfs/dbraw/zinc/14/06/94/1137140694.db2.gz UXAGAZNDUUNOOG-CJNGLKHVSA-N 1 3 345.314 3.879 20 0 EHADHO C[N@H+]1CC[C@@H](NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367767 1137140695 /nfs/dbraw/zinc/14/06/95/1137140695.db2.gz UXAGAZNDUUNOOG-CJNGLKHVSA-N 1 3 345.314 3.879 20 0 EHADHO Fc1cccc2[nH]cc(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c21 ZINC001136984441 1137164298 /nfs/dbraw/zinc/16/42/98/1137164298.db2.gz LEQFGUQRKGRFJW-RTBURBONSA-N 1 3 349.453 3.871 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000794828469 1137267708 /nfs/dbraw/zinc/26/77/08/1137267708.db2.gz PLUDAWXXUBVTMB-RDJZCZTQSA-N 1 3 329.875 3.908 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000846042476 1137329293 /nfs/dbraw/zinc/32/92/93/1137329293.db2.gz MHWBODFETQGZDH-NRFANRHFSA-N 1 3 334.548 3.826 20 0 EHADHO COc1ccc(CN2CCC(CC[NH3+])CC2)cc1SC(F)(F)F ZINC000846227864 1137342502 /nfs/dbraw/zinc/34/25/02/1137342502.db2.gz WTQHOPUWGKLMLJ-UHFFFAOYSA-N 1 3 348.434 3.868 20 0 EHADHO Cc1cccc2c1CC[C@H](N1CCC([NH3+])(c3cccc(F)c3)CC1)C2 ZINC001171558551 1137497940 /nfs/dbraw/zinc/49/79/40/1137497940.db2.gz LPCRKAOFFMMKCW-FQEVSTJZSA-N 1 3 338.470 3.941 20 0 EHADHO COc1cccc(OCCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171619351 1137501098 /nfs/dbraw/zinc/50/10/98/1137501098.db2.gz KZJNTIVTYGENFC-UHFFFAOYSA-N 1 3 334.504 3.705 20 0 EHADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678864 1137503486 /nfs/dbraw/zinc/50/34/86/1137503486.db2.gz HYWMDGSJHCODDC-SIKLNZKXSA-N 1 3 344.543 3.891 20 0 EHADHO CC1(C)C[C@H]([NH2+]CCN2CCCCC2)CCN1Cc1ccccc1 ZINC001171966260 1137520338 /nfs/dbraw/zinc/52/03/38/1137520338.db2.gz UJNJOEHNDBOJAK-HXUWFJFHSA-N 1 3 329.532 3.505 20 0 EHADHO CCCc1cc(CN)nn1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974020 1137524488 /nfs/dbraw/zinc/52/44/88/1137524488.db2.gz BLUFCISGDFFBJV-FQEVSTJZSA-N 1 3 340.515 3.910 20 0 EHADHO CCCc1cc(CN)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974020 1137524490 /nfs/dbraw/zinc/52/44/90/1137524490.db2.gz BLUFCISGDFFBJV-FQEVSTJZSA-N 1 3 340.515 3.910 20 0 EHADHO CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172073862 1137529700 /nfs/dbraw/zinc/52/97/00/1137529700.db2.gz DNCWWXVWXHSEPF-LNRXMEIDSA-N 1 3 341.543 3.598 20 0 EHADHO CN(C)C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172073862 1137529701 /nfs/dbraw/zinc/52/97/01/1137529701.db2.gz DNCWWXVWXHSEPF-LNRXMEIDSA-N 1 3 341.543 3.598 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125308 1137535057 /nfs/dbraw/zinc/53/50/57/1137535057.db2.gz PGKSAFZHRXWICH-RDGPPVDQSA-N 1 3 334.504 3.931 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001172125308 1137535058 /nfs/dbraw/zinc/53/50/58/1137535058.db2.gz PGKSAFZHRXWICH-RDGPPVDQSA-N 1 3 334.504 3.931 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106496 1137537334 /nfs/dbraw/zinc/53/73/34/1137537334.db2.gz POKOHPIJGZBVLL-VWNVYAMZSA-N 1 3 338.495 3.868 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CCO)c1cccc3ccccc31)C2 ZINC001172106496 1137537336 /nfs/dbraw/zinc/53/73/36/1137537336.db2.gz POKOHPIJGZBVLL-VWNVYAMZSA-N 1 3 338.495 3.868 20 0 EHADHO FC1CCN(C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)CC1 ZINC001172206560 1137541054 /nfs/dbraw/zinc/54/10/54/1137541054.db2.gz RLZVDWSPMVCEDD-SFHVURJKSA-N 1 3 334.504 3.602 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172223679 1137542183 /nfs/dbraw/zinc/54/21/83/1137542183.db2.gz UGVZEJHBQLRNHL-YQQQUEKLSA-N 1 3 348.918 3.852 20 0 EHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172337616 1137551971 /nfs/dbraw/zinc/55/19/71/1137551971.db2.gz WYGIHPQYYBQNPT-SJORKVTESA-N 1 3 336.495 3.755 20 0 EHADHO CCCC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1 ZINC000873247572 1137595299 /nfs/dbraw/zinc/59/52/99/1137595299.db2.gz POGGMFBAQFNFRY-OAQYLSRUSA-N 1 3 349.482 3.747 20 0 EHADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743037 1137687792 /nfs/dbraw/zinc/68/77/92/1137687792.db2.gz SYRXOWGUXTUWSR-FRFSOERESA-N 1 3 326.406 3.835 20 0 EHADHO C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743037 1137687793 /nfs/dbraw/zinc/68/77/93/1137687793.db2.gz SYRXOWGUXTUWSR-FRFSOERESA-N 1 3 326.406 3.835 20 0 EHADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC001137188563 1137858320 /nfs/dbraw/zinc/85/83/20/1137858320.db2.gz CRGGDWUILGMIOX-OALUTQOASA-N 1 3 339.483 3.779 20 0 EHADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC001137188563 1137858321 /nfs/dbraw/zinc/85/83/21/1137858321.db2.gz CRGGDWUILGMIOX-OALUTQOASA-N 1 3 339.483 3.779 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@@]23CCN(CCC2CCOCC2)C3)cc1 ZINC001202667904 1137915094 /nfs/dbraw/zinc/91/50/94/1137915094.db2.gz CMMQTSYODMVPDG-NRFANRHFSA-N 1 3 328.500 3.544 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@@]23CCN(CCC2CCOCC2)C3)cc1 ZINC001202667904 1137915095 /nfs/dbraw/zinc/91/50/95/1137915095.db2.gz CMMQTSYODMVPDG-NRFANRHFSA-N 1 3 328.500 3.544 20 0 EHADHO CN(CCCO)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000115546640 1137922328 /nfs/dbraw/zinc/92/23/28/1137922328.db2.gz PQAZXIUJMREADW-UHFFFAOYSA-N 1 3 336.479 3.535 20 0 EHADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccncc1 ZINC000886536689 1138092379 /nfs/dbraw/zinc/09/23/79/1138092379.db2.gz NBKOJYHAQYFQEK-UDDWMFPDSA-N 1 3 335.495 3.828 20 0 EHADHO C[C@@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886536348 1138092443 /nfs/dbraw/zinc/09/24/43/1138092443.db2.gz GFUDMACNZDSLAV-MQGJPIDWSA-N 1 3 335.495 3.655 20 0 EHADHO CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886625086 1138103324 /nfs/dbraw/zinc/10/33/24/1138103324.db2.gz IHEYBFGYUWEUSY-WVNMJAPOSA-N 1 3 342.527 3.833 20 0 EHADHO c1ccc([C@@H]2CCC[C@@H](CN3CCCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876120 1138163046 /nfs/dbraw/zinc/16/30/46/1138163046.db2.gz JNBPNKMBHPWKLI-PCCBWWKXSA-N 1 3 328.500 3.762 20 0 EHADHO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000089512964 1138200500 /nfs/dbraw/zinc/20/05/00/1138200500.db2.gz DJJBQCDMBVALSG-MRXNPFEDSA-N 1 3 334.504 3.625 20 0 EHADHO C[C@@H](Cc1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090400439 1138210353 /nfs/dbraw/zinc/21/03/53/1138210353.db2.gz OEYHFYMARDKXTR-NUEKZKHPSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@@H](Cc1ccccc1Br)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400439 1138210355 /nfs/dbraw/zinc/21/03/55/1138210355.db2.gz OEYHFYMARDKXTR-NUEKZKHPSA-N 1 3 337.305 3.597 20 0 EHADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000090522449 1138211291 /nfs/dbraw/zinc/21/12/91/1138211291.db2.gz CWROBDVIWZEKMY-FHWLQOOXSA-N 1 3 346.540 3.581 20 0 EHADHO CC(=O)Nc1ccccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769355 1138240745 /nfs/dbraw/zinc/24/07/45/1138240745.db2.gz QRBYHZCXBSZEHC-UHFFFAOYSA-N 1 3 343.515 3.733 20 0 EHADHO CC[N@@H+](Cc1scnc1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818840 1138241893 /nfs/dbraw/zinc/24/18/93/1138241893.db2.gz KIBYVZVXMAYVPT-SFHVURJKSA-N 1 3 329.513 3.796 20 0 EHADHO CC[N@H+](Cc1scnc1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818840 1138241894 /nfs/dbraw/zinc/24/18/94/1138241894.db2.gz KIBYVZVXMAYVPT-SFHVURJKSA-N 1 3 329.513 3.796 20 0 EHADHO NC1(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCC1 ZINC000333296870 1138274990 /nfs/dbraw/zinc/27/49/90/1138274990.db2.gz PLJDYBXFJVUNTF-HNNXBMFYSA-N 1 3 348.288 3.779 20 0 EHADHO Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnn1C ZINC000135262986 1138738285 /nfs/dbraw/zinc/73/82/85/1138738285.db2.gz UJYZFGNUOLOEJG-FAXKSRBJSA-N 1 3 338.499 3.575 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000177280960 1139609738 /nfs/dbraw/zinc/60/97/38/1139609738.db2.gz XCPQDWORFRLHAC-KRWDZBQOSA-N 1 3 326.484 3.991 20 0 EHADHO COc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000178530003 1139702327 /nfs/dbraw/zinc/70/23/27/1139702327.db2.gz QHQXVGNCXMEGNB-OAHLLOKOSA-N 1 3 346.446 3.626 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccsc1 ZINC000178795202 1139718542 /nfs/dbraw/zinc/71/85/42/1139718542.db2.gz OESDGQAPYLUJDE-OAHLLOKOSA-N 1 3 330.497 3.556 20 0 EHADHO Cc1c([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cnn1C(C)C ZINC000191184258 1140443282 /nfs/dbraw/zinc/44/32/82/1140443282.db2.gz RXABXNKFSDFUOJ-MRXNPFEDSA-N 1 3 344.503 3.564 20 0 EHADHO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000192444215 1140533264 /nfs/dbraw/zinc/53/32/64/1140533264.db2.gz DUTGRVCNBIPSAN-GOSISDBHSA-N 1 3 328.500 3.549 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC000268933436 1141029020 /nfs/dbraw/zinc/02/90/20/1141029020.db2.gz NFTFBPJFMHRJKB-AMGDKJTDSA-N 1 3 341.543 3.644 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000269009999 1141045010 /nfs/dbraw/zinc/04/50/10/1141045010.db2.gz NKCHOCMGAZRHRE-WIYYLYMNSA-N 1 3 341.543 3.646 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000269009956 1141045442 /nfs/dbraw/zinc/04/54/42/1141045442.db2.gz NIPOTXBJHIMEHY-QGZVFWFLSA-N 1 3 343.515 3.627 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000271544157 1141393571 /nfs/dbraw/zinc/39/35/71/1141393571.db2.gz TUWYJVRIDLQQIW-DVMWJLJYSA-N 1 3 328.500 3.592 20 0 EHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271646553 1141411819 /nfs/dbraw/zinc/41/18/19/1141411819.db2.gz FLLFEAJKWLVQBH-ZCNNSNEGSA-N 1 3 348.918 3.759 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000283252848 1141579268 /nfs/dbraw/zinc/57/92/68/1141579268.db2.gz KCBFFRIBSPZNGZ-WIYYLYMNSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000283252848 1141579270 /nfs/dbraw/zinc/57/92/70/1141579270.db2.gz KCBFFRIBSPZNGZ-WIYYLYMNSA-N 1 3 347.522 3.625 20 0 EHADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H]1Sc1ccccc1 ZINC000459396870 1032063804 /nfs/dbraw/zinc/06/38/04/1032063804.db2.gz WVHBXTIHPDMKCH-VAMGGRTRSA-N 1 3 346.540 3.541 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(-n2cccn2)c(F)c1 ZINC000339428306 1014408180 /nfs/dbraw/zinc/40/81/80/1014408180.db2.gz GBIKGZQCIRQOLG-MRXNPFEDSA-N 1 3 330.451 3.538 20 0 EHADHO COc1ccc2nc(CNCCCCC[NH+]3CCCC3)sc2c1 ZINC000339498083 1014593606 /nfs/dbraw/zinc/59/36/06/1014593606.db2.gz OGYQPDLZTCBEEX-UHFFFAOYSA-N 1 3 333.501 3.661 20 0 EHADHO c1csc(-c2ncc(C[NH2+]C3CCN(C4CCC4)CC3)s2)c1 ZINC000343737040 1032109503 /nfs/dbraw/zinc/10/95/03/1032109503.db2.gz HNHLWOAVRZSRFN-UHFFFAOYSA-N 1 3 333.526 3.978 20 0 EHADHO COc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000339867396 1015795742 /nfs/dbraw/zinc/79/57/42/1015795742.db2.gz QHCVKIOQHSSWJA-PXNSSMCTSA-N 1 3 339.483 3.575 20 0 EHADHO COc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000339867396 1015795746 /nfs/dbraw/zinc/79/57/46/1015795746.db2.gz QHCVKIOQHSSWJA-PXNSSMCTSA-N 1 3 339.483 3.575 20 0 EHADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000538116448 1032141644 /nfs/dbraw/zinc/14/16/44/1032141644.db2.gz KMMHIJOWRBWMCB-ZACQAIPSSA-N 1 3 338.923 3.750 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000076443402 1016349497 /nfs/dbraw/zinc/34/94/97/1016349497.db2.gz AMWXBOVHVUHJCF-AZUAARDMSA-N 1 3 338.495 3.910 20 0 EHADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(C(=O)OC)cc1 ZINC000340181325 1016627800 /nfs/dbraw/zinc/62/78/00/1016627800.db2.gz JJIIKCGNLXKKNJ-HXUWFJFHSA-N 1 3 340.467 3.776 20 0 EHADHO CC(C)(C)OC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180178571 1016891515 /nfs/dbraw/zinc/89/15/15/1016891515.db2.gz CWBMFXOCBOUGNR-YQQQUEKLSA-N 1 3 344.499 3.503 20 0 EHADHO CC(C)(C)OC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180178571 1016891529 /nfs/dbraw/zinc/89/15/29/1016891529.db2.gz CWBMFXOCBOUGNR-YQQQUEKLSA-N 1 3 344.499 3.503 20 0 EHADHO Cc1cccc(CC[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000536858385 1032357628 /nfs/dbraw/zinc/35/76/28/1032357628.db2.gz OWNUAFZPBXOTFX-XUVXKRRUSA-N 1 3 332.532 3.795 20 0 EHADHO c1c2cccnc2oc1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000449321329 1032452141 /nfs/dbraw/zinc/45/21/41/1032452141.db2.gz LMXRMRAUXYEMTL-JOCHJYFZSA-N 1 3 347.462 3.926 20 0 EHADHO c1c2cccnc2oc1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000449321329 1032452147 /nfs/dbraw/zinc/45/21/47/1032452147.db2.gz LMXRMRAUXYEMTL-JOCHJYFZSA-N 1 3 347.462 3.926 20 0 EHADHO COc1ccc([C@@H](N[C@@H](C)CCCC[NH3+])c2ccccc2OC)cc1 ZINC000423006314 1032485412 /nfs/dbraw/zinc/48/54/12/1032485412.db2.gz VCYBSZVZYKUPSB-HRAATJIYSA-N 1 3 342.483 3.900 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000423037785 1032492567 /nfs/dbraw/zinc/49/25/67/1032492567.db2.gz BXJYDNREYBYUMY-GESALYCCSA-N 1 3 345.849 3.792 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccn1 ZINC000449396680 1032503794 /nfs/dbraw/zinc/50/37/94/1032503794.db2.gz MDJVXDVPDNAOSG-NJDAHSKKSA-N 1 3 349.522 3.859 20 0 EHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000606432086 1032678781 /nfs/dbraw/zinc/67/87/81/1032678781.db2.gz NQFLTAMARMZYOZ-WOIUINJBSA-N 1 3 341.543 3.554 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415071239 1017503748 /nfs/dbraw/zinc/50/37/48/1017503748.db2.gz WENOGJQAEHVWHY-HNAYVOBHSA-N 1 3 331.504 3.634 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415071566 1017513838 /nfs/dbraw/zinc/51/38/38/1017513838.db2.gz WOLFRCAHEHJBJF-HNAYVOBHSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000340472564 1017977347 /nfs/dbraw/zinc/97/73/47/1017977347.db2.gz DOJNFXVANWJHFL-INIZCTEOSA-N 1 3 327.447 3.784 20 0 EHADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261952333 1018606941 /nfs/dbraw/zinc/60/69/41/1018606941.db2.gz NIGNKJKTHXTVJA-LBPRGKRZSA-N 1 3 344.286 3.525 20 0 EHADHO Cc1cc(Br)ccc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204734730 1019326687 /nfs/dbraw/zinc/32/66/87/1019326687.db2.gz CYIYAWHNVDOPOE-UHFFFAOYSA-N 1 3 337.305 3.723 20 0 EHADHO Fc1ccc(OC(F)(F)F)cc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204735170 1019759696 /nfs/dbraw/zinc/75/96/96/1019759696.db2.gz MQCWJVGJZUIWHC-UHFFFAOYSA-N 1 3 346.368 3.690 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000581515887 1021036099 /nfs/dbraw/zinc/03/60/99/1021036099.db2.gz NDHWQTBDDSDWNR-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000581515887 1021036104 /nfs/dbraw/zinc/03/61/04/1021036104.db2.gz NDHWQTBDDSDWNR-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H](C)c2ccccc2)cc1F ZINC000656789899 1021342750 /nfs/dbraw/zinc/34/27/50/1021342750.db2.gz CMZZKGGMYJVCGT-QSFXBCCZSA-N 1 3 342.458 3.673 20 0 EHADHO c1nc(-c2ccccc2)sc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518770604 1021541519 /nfs/dbraw/zinc/54/15/19/1021541519.db2.gz WIJJARWADLQHBH-KRWDZBQOSA-N 1 3 327.497 3.632 20 0 EHADHO CC[C@@H](c1ccccc1)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441068003 1021966370 /nfs/dbraw/zinc/96/63/70/1021966370.db2.gz UVUIIUYTBYBTSA-NRFANRHFSA-N 1 3 329.532 3.628 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000341522382 1022057455 /nfs/dbraw/zinc/05/74/55/1022057455.db2.gz DJIRZMTUIBICSZ-UHFFFAOYSA-N 1 3 338.565 3.543 20 0 EHADHO C[C@H](CCC[NH3+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000415019657 1022160610 /nfs/dbraw/zinc/16/06/10/1022160610.db2.gz IGSVSQXOFJZBAL-ZBFHGGJFSA-N 1 3 329.513 3.633 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000415054459 1022171403 /nfs/dbraw/zinc/17/14/03/1022171403.db2.gz NMRLBHFKFKFWIJ-GOSISDBHSA-N 1 3 330.859 3.845 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402304 1022217403 /nfs/dbraw/zinc/21/74/03/1022217403.db2.gz HGVHKMJWTIJGOP-QUCCMNQESA-N 1 3 328.500 3.631 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402304 1022217408 /nfs/dbraw/zinc/21/74/08/1022217408.db2.gz HGVHKMJWTIJGOP-QUCCMNQESA-N 1 3 328.500 3.631 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000506925312 1023011840 /nfs/dbraw/zinc/01/18/40/1023011840.db2.gz DZTJHVZWRMLUAQ-MRXNPFEDSA-N 1 3 346.515 3.572 20 0 EHADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000438987697 1023195067 /nfs/dbraw/zinc/19/50/67/1023195067.db2.gz UUSAVYTVQJBTOC-KUHUBIRLSA-N 1 3 349.519 3.671 20 0 EHADHO CC(C)CSCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443619115 1024252332 /nfs/dbraw/zinc/25/23/32/1024252332.db2.gz BFJIWMMIZMGYKE-HDICACEKSA-N 1 3 342.593 3.587 20 0 EHADHO CC1CCN(CC[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168007394 1024465640 /nfs/dbraw/zinc/46/56/40/1024465640.db2.gz RXTJHGZKTLJPAN-PMACEKPBSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@@H]1CC(NCCOC2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168028718 1024515103 /nfs/dbraw/zinc/51/51/03/1024515103.db2.gz QMEQZWCWUJBTPH-QZTJIDSGSA-N 1 3 330.516 3.977 20 0 EHADHO F[C@@H]1CCc2ccccc2[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000895690154 1024724947 /nfs/dbraw/zinc/72/49/47/1024724947.db2.gz APDBGQAWZYQPJZ-UXHICEINSA-N 1 3 325.431 3.666 20 0 EHADHO F[C@H]1CCc2ccccc2[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000895690153 1024725792 /nfs/dbraw/zinc/72/57/92/1024725792.db2.gz APDBGQAWZYQPJZ-PMACEKPBSA-N 1 3 325.431 3.666 20 0 EHADHO c1nn(C2CCC2)cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000892144826 1024983396 /nfs/dbraw/zinc/98/33/96/1024983396.db2.gz PAKVYBYSPCKVTC-UHFFFAOYSA-N 1 3 330.520 3.696 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2OC)[C@@H](C)C1 ZINC000151942071 1025016377 /nfs/dbraw/zinc/01/63/77/1025016377.db2.gz XDZRXUSFQCGXRR-YSIASYRMSA-N 1 3 348.531 3.873 20 0 EHADHO C[C@H](Cc1cccnc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000897964323 1033260633 /nfs/dbraw/zinc/26/06/33/1033260633.db2.gz CDKJPYFKUBKAAE-MNAPGUCWSA-N 1 3 335.495 3.655 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)C2 ZINC001168284884 1033270385 /nfs/dbraw/zinc/27/03/85/1033270385.db2.gz WZSWNIKSHXEPGB-UFYCRDLUSA-N 1 3 328.500 3.501 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)C2 ZINC001168284884 1033270401 /nfs/dbraw/zinc/27/04/01/1033270401.db2.gz WZSWNIKSHXEPGB-UFYCRDLUSA-N 1 3 328.500 3.501 20 0 EHADHO C[C@H]1CC([NH+]2CCC3(CCOC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039982 1025267982 /nfs/dbraw/zinc/26/79/82/1025267982.db2.gz JJIJJIVPYVVTMT-OALUTQOASA-N 1 3 342.527 3.931 20 0 EHADHO CC(C)=CCC[C@@H](C)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000192623574 1025284014 /nfs/dbraw/zinc/28/40/14/1025284014.db2.gz VRSKUDALRMFIBQ-NHCUHLMSSA-N 1 3 335.580 3.861 20 0 EHADHO CC(C)=CCC[C@@H](C)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000192623574 1025284025 /nfs/dbraw/zinc/28/40/25/1025284025.db2.gz VRSKUDALRMFIBQ-NHCUHLMSSA-N 1 3 335.580 3.861 20 0 EHADHO CN1CCN(CC[NH2+]C2CCC(C)(c3ccccc3)CC2)CC1(C)C ZINC000442871099 1025543330 /nfs/dbraw/zinc/54/33/30/1025543330.db2.gz HAYXQQQLJZGABU-UHFFFAOYSA-N 1 3 343.559 3.503 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000347229122 1025695928 /nfs/dbraw/zinc/69/59/28/1025695928.db2.gz KGZYORFFVFVJRL-FQEVSTJZSA-N 1 3 343.515 3.874 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000347229123 1025696886 /nfs/dbraw/zinc/69/68/86/1025696886.db2.gz KGZYORFFVFVJRL-HXUWFJFHSA-N 1 3 343.515 3.874 20 0 EHADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000611587855 1025933038 /nfs/dbraw/zinc/93/30/38/1025933038.db2.gz WZDZZPYKDVWNJS-MFKWGIFDSA-N 1 3 330.541 3.771 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000516181901 1026074689 /nfs/dbraw/zinc/07/46/89/1026074689.db2.gz ADEBUTSHNPPCJW-UHFFFAOYSA-N 1 3 348.874 3.930 20 0 EHADHO FC(F)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000475208942 1026388632 /nfs/dbraw/zinc/38/86/32/1026388632.db2.gz BMQGRYSUIWPKTA-RCCFBDPRSA-N 1 3 334.454 3.922 20 0 EHADHO COc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000192917405 1026640772 /nfs/dbraw/zinc/64/07/72/1026640772.db2.gz OTWCPNMKPMTDOJ-GOSISDBHSA-N 1 3 344.886 3.960 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000531178190 1026672455 /nfs/dbraw/zinc/67/24/55/1026672455.db2.gz FGVZLXJVXVSUIS-IAGOWNOFSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000531178190 1026672461 /nfs/dbraw/zinc/67/24/61/1026672461.db2.gz FGVZLXJVXVSUIS-IAGOWNOFSA-N 1 3 334.479 3.537 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000305790976 1026984978 /nfs/dbraw/zinc/98/49/78/1026984978.db2.gz UBEHEZDIJMVPQR-PWRODBHTSA-N 1 3 346.490 3.561 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000126733191 1027234907 /nfs/dbraw/zinc/23/49/07/1027234907.db2.gz TVEQZQVKVFWYPF-HSZRJFAPSA-N 1 3 349.522 3.601 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453072434 1027288091 /nfs/dbraw/zinc/28/80/91/1027288091.db2.gz YAIRACACVPHROH-BDTNDASRSA-N 1 3 335.495 3.923 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453072441 1027288249 /nfs/dbraw/zinc/28/82/49/1027288249.db2.gz YAIRACACVPHROH-VSKRKVRLSA-N 1 3 335.495 3.923 20 0 EHADHO COc1ccccc1CN(CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420299419 1027450735 /nfs/dbraw/zinc/45/07/35/1027450735.db2.gz GLMRGPFQRFXLRD-MRXNPFEDSA-N 1 3 330.497 3.759 20 0 EHADHO FC1(F)CCC[C@H](CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)C1 ZINC000420309031 1027457438 /nfs/dbraw/zinc/45/74/38/1027457438.db2.gz LCNBIOYJVQEPKL-WMZOPIPTSA-N 1 3 337.458 3.851 20 0 EHADHO CN1CCC[C@@H](C[N@H+](C)CCOc2c(Cl)cccc2Cl)C1 ZINC000607358463 1027705542 /nfs/dbraw/zinc/70/55/42/1027705542.db2.gz HVWGCCRANRBOKB-CYBMUJFWSA-N 1 3 331.287 3.646 20 0 EHADHO CN1CCC[C@@H](C[N@@H+](C)CCOc2c(Cl)cccc2Cl)C1 ZINC000607358463 1027705558 /nfs/dbraw/zinc/70/55/58/1027705558.db2.gz HVWGCCRANRBOKB-CYBMUJFWSA-N 1 3 331.287 3.646 20 0 EHADHO Cc1cc(CN(C)CC(C)(C)C[NH3+])cc(C)c1OCc1ccccn1 ZINC000414660494 1027739091 /nfs/dbraw/zinc/73/90/91/1027739091.db2.gz NBSSNNHRWUEXCA-UHFFFAOYSA-N 1 3 341.499 3.694 20 0 EHADHO C[C@@H]1C[C@H](C[NH3+])CN1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414667340 1027778179 /nfs/dbraw/zinc/77/81/79/1027778179.db2.gz YIXYMMIEZTYJDX-BSPJPZBESA-N 1 3 336.479 3.948 20 0 EHADHO c1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422747222 1027913525 /nfs/dbraw/zinc/91/35/25/1027913525.db2.gz PNLGODHGBPLQMT-FYZZASKESA-N 1 3 327.516 3.556 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000422807365 1027957590 /nfs/dbraw/zinc/95/75/90/1027957590.db2.gz MMQAETACTMFNJO-FOIQADDNSA-N 1 3 329.463 3.906 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422823002 1027967724 /nfs/dbraw/zinc/96/77/24/1027967724.db2.gz CGBBRBODTKXELH-PXNSSMCTSA-N 1 3 348.494 3.562 20 0 EHADHO COc1ccc(-c2csc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC000422826897 1027971368 /nfs/dbraw/zinc/97/13/68/1027971368.db2.gz RLFDNIKQQGBYIC-IFXJQAMLSA-N 1 3 330.497 3.901 20 0 EHADHO C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnccc1N ZINC000422827785 1027971511 /nfs/dbraw/zinc/97/15/11/1027971511.db2.gz NJEKCINHQPHDRL-QGZVFWFLSA-N 1 3 338.499 3.721 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccccc1Br ZINC000422832039 1027973587 /nfs/dbraw/zinc/97/35/87/1027973587.db2.gz UISKJKBLNOYAPM-LBPRGKRZSA-N 1 3 348.288 3.505 20 0 EHADHO CCSc1ccccc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132903530 1027976583 /nfs/dbraw/zinc/97/65/83/1027976583.db2.gz ITPWBNKNKZYBDY-IAGOWNOFSA-N 1 3 348.556 3.950 20 0 EHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422835378 1027976506 /nfs/dbraw/zinc/97/65/06/1027976506.db2.gz IQAUTFPCNGZJFP-UAFMIMERSA-N 1 3 330.541 3.917 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422876080 1028006194 /nfs/dbraw/zinc/00/61/94/1028006194.db2.gz FYSNXBPFBOEOFT-FRQCXROJSA-N 1 3 343.540 3.563 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845331 1028007046 /nfs/dbraw/zinc/00/70/46/1028007046.db2.gz NUXFHAKKFBRBBR-QYZOEREBSA-N 1 3 335.923 3.727 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845331 1028007066 /nfs/dbraw/zinc/00/70/66/1028007066.db2.gz NUXFHAKKFBRBBR-QYZOEREBSA-N 1 3 335.923 3.727 20 0 EHADHO C[C@@H](CCCC[NH3+])N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422880053 1028011646 /nfs/dbraw/zinc/01/16/46/1028011646.db2.gz NCVMTIGLUDLADO-JXFKEZNVSA-N 1 3 336.483 3.770 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CCC3)cc1 ZINC000422909715 1028044178 /nfs/dbraw/zinc/04/41/78/1028044178.db2.gz OVWQGMUEARLMRP-DVOMOZLQSA-N 1 3 345.512 3.912 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1csc2ccccc12 ZINC000422944466 1028083859 /nfs/dbraw/zinc/08/38/59/1028083859.db2.gz ZTZJBQNRHAVQLR-ZDUSSCGKSA-N 1 3 325.481 3.957 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC000423009313 1028122523 /nfs/dbraw/zinc/12/25/23/1028122523.db2.gz CONJPAMWBZBCCB-ATZDWAIDSA-N 1 3 334.454 3.897 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000423020701 1028129995 /nfs/dbraw/zinc/12/99/95/1028129995.db2.gz CRFQSUNJELNZBB-QQGDVQBRSA-N 1 3 345.849 3.792 20 0 EHADHO CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423048312 1028132734 /nfs/dbraw/zinc/13/27/34/1028132734.db2.gz IIZXCYPDBUSDPY-BRWVUGGUSA-N 1 3 343.437 3.558 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423048312 1028132742 /nfs/dbraw/zinc/13/27/42/1028132742.db2.gz IIZXCYPDBUSDPY-BRWVUGGUSA-N 1 3 343.437 3.558 20 0 EHADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000502366551 1028147561 /nfs/dbraw/zinc/14/75/61/1028147561.db2.gz AWWKYRBQPANSDS-NJDAHSKKSA-N 1 3 342.527 3.693 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(C2CC2)cc1 ZINC000423077851 1028166441 /nfs/dbraw/zinc/16/64/41/1028166441.db2.gz MZTFDGDAFQPECZ-IRLDBZIGSA-N 1 3 334.463 3.910 20 0 EHADHO Clc1cc(Br)ccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423145911 1028206603 /nfs/dbraw/zinc/20/66/03/1028206603.db2.gz NDBKBNGVRQDFQW-PBWFPOADSA-N 1 3 343.696 3.518 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423101283 1028182983 /nfs/dbraw/zinc/18/29/83/1028182983.db2.gz VUEUOHIBNYJEJB-YEWDVWPNSA-N 1 3 331.410 3.724 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000503942540 1028245524 /nfs/dbraw/zinc/24/55/24/1028245524.db2.gz ROTGEKXVNFOIJU-RKTXRCNFSA-N 1 3 330.463 3.779 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000246337575 1028254740 /nfs/dbraw/zinc/25/47/40/1028254740.db2.gz GOUXJIPJKZIVIA-PCCBWWKXSA-N 1 3 330.516 3.885 20 0 EHADHO C[C@@H]1CCCC[C@@H]1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414725025 1028296052 /nfs/dbraw/zinc/29/60/52/1028296052.db2.gz UOEATQOFEWUVRF-BRWVUGGUSA-N 1 3 333.545 3.914 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000423259748 1028319319 /nfs/dbraw/zinc/31/93/19/1028319319.db2.gz FSRLDYXQJJJWPE-YWZLYKJASA-N 1 3 326.488 3.739 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423259748 1028319336 /nfs/dbraw/zinc/31/93/36/1028319336.db2.gz FSRLDYXQJJJWPE-YWZLYKJASA-N 1 3 326.488 3.739 20 0 EHADHO COCCc1nc(C)c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000423291231 1028329037 /nfs/dbraw/zinc/32/90/37/1028329037.db2.gz HKUPEHPADVMWMY-OLZOCXBDSA-N 1 3 333.501 3.511 20 0 EHADHO NC1(C[NH2+]C2CCC(C(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423516071 1028493596 /nfs/dbraw/zinc/49/35/96/1028493596.db2.gz AOFXURVZNQKRHT-UHFFFAOYSA-N 1 3 330.438 3.851 20 0 EHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423526350 1028498783 /nfs/dbraw/zinc/49/87/83/1028498783.db2.gz LHKUTBSIKDZWBZ-DYUKUTQYSA-N 1 3 342.527 3.930 20 0 EHADHO Cc1cc2cc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)ccc2cn1 ZINC001167946107 1028577471 /nfs/dbraw/zinc/57/74/71/1028577471.db2.gz OJYCERULTLTINI-SFHVURJKSA-N 1 3 343.471 3.794 20 0 EHADHO CC[C@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936724 1029089919 /nfs/dbraw/zinc/08/99/19/1029089919.db2.gz KILFXNOPNAAYNC-BBRMVZONSA-N 1 3 330.394 3.534 20 0 EHADHO Fc1ccc([C@H](NCC2([NH+]3CCCC3)CCOCC2)C2CC2)cc1 ZINC000271754878 1029155783 /nfs/dbraw/zinc/15/57/83/1029155783.db2.gz SDFPPMYJXGLFOB-LJQANCHMSA-N 1 3 332.463 3.511 20 0 EHADHO OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000245755405 1029248410 /nfs/dbraw/zinc/24/84/10/1029248410.db2.gz URGCRQHYNBNVLN-YUMYIRISSA-N 1 3 336.479 3.505 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000414808107 1029269680 /nfs/dbraw/zinc/26/96/80/1029269680.db2.gz KCFPBFKLENUWBZ-NSHDSACASA-N 1 3 337.236 3.898 20 0 EHADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000414816186 1029352052 /nfs/dbraw/zinc/35/20/52/1029352052.db2.gz ZKPYXOWLIWLOPU-LBPRGKRZSA-N 1 3 349.272 3.767 20 0 EHADHO FC(F)(F)c1cccc([C@@H]2CSCCN2CC2CC[NH2+]CC2)c1 ZINC000262040402 1029554518 /nfs/dbraw/zinc/55/45/18/1029554518.db2.gz YFYZWHXOIIOTNE-INIZCTEOSA-N 1 3 344.446 3.795 20 0 EHADHO Cc1csc(N2CCC(NCCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC000155819713 1029668174 /nfs/dbraw/zinc/66/81/74/1029668174.db2.gz POHPCRYFNIBDIU-UHFFFAOYSA-N 1 3 338.565 3.519 20 0 EHADHO C[C@H]1CCCN(Cc2ccc(OCc3cccnc3)cc2)[C@H]1CC[NH3+] ZINC000650711837 1030078220 /nfs/dbraw/zinc/07/82/20/1030078220.db2.gz FXOPCYATILDCKK-UWJYYQICSA-N 1 3 339.483 3.610 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1ccc(Br)c(C)c1 ZINC000650719377 1030160947 /nfs/dbraw/zinc/16/09/47/1030160947.db2.gz NZDFGASXZXMCMU-UHFFFAOYSA-N 1 3 333.273 3.767 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000525865033 1030182487 /nfs/dbraw/zinc/18/24/87/1030182487.db2.gz JFXOLLKXUYNUSG-UHFFFAOYSA-N 1 3 332.517 3.690 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000525865033 1030182501 /nfs/dbraw/zinc/18/25/01/1030182501.db2.gz JFXOLLKXUYNUSG-UHFFFAOYSA-N 1 3 332.517 3.690 20 0 EHADHO c1[nH]c(CNCCCCC[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000194309696 1030449841 /nfs/dbraw/zinc/44/98/41/1030449841.db2.gz MIYGBAOYTFFAFE-UHFFFAOYSA-N 1 3 326.488 3.823 20 0 EHADHO CC1=CC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000550887446 1030762382 /nfs/dbraw/zinc/76/23/82/1030762382.db2.gz QTKVZYAROWHOEP-JOCHJYFZSA-N 1 3 341.543 3.673 20 0 EHADHO CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000393272552 1030886826 /nfs/dbraw/zinc/88/68/26/1030886826.db2.gz AMXVIXCONXOAGV-NHCUHLMSSA-N 1 3 335.495 3.598 20 0 EHADHO CCc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000393272552 1030886845 /nfs/dbraw/zinc/88/68/45/1030886845.db2.gz AMXVIXCONXOAGV-NHCUHLMSSA-N 1 3 335.495 3.598 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037379 1030920555 /nfs/dbraw/zinc/92/05/55/1030920555.db2.gz BDUZXIWLAWJRTP-QILLFSRXSA-N 1 3 332.488 3.544 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037379 1030920570 /nfs/dbraw/zinc/92/05/70/1030920570.db2.gz BDUZXIWLAWJRTP-QILLFSRXSA-N 1 3 332.488 3.544 20 0 EHADHO COc1cc(F)c(CNCCCCC[NH+]2CCCCC2)cc1OC ZINC000565079601 1031034003 /nfs/dbraw/zinc/03/40/03/1031034003.db2.gz LUOHUCUMIOQMDH-UHFFFAOYSA-N 1 3 338.467 3.589 20 0 EHADHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000163267475 1031365695 /nfs/dbraw/zinc/36/56/95/1031365695.db2.gz NBRZMTHXYYIIDJ-WIYYLYMNSA-N 1 3 329.532 3.502 20 0 EHADHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000163267827 1031365821 /nfs/dbraw/zinc/36/58/21/1031365821.db2.gz NBRZMTHXYYIIDJ-RXVVDRJESA-N 1 3 329.532 3.502 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995492 1031435303 /nfs/dbraw/zinc/43/53/03/1031435303.db2.gz PAJQIWLNOVYYFR-IRXDYDNUSA-N 1 3 343.515 3.791 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000527929257 1031491332 /nfs/dbraw/zinc/49/13/32/1031491332.db2.gz PHGVHHXPNUALAM-MLNNCEHLSA-N 1 3 342.527 3.693 20 0 EHADHO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133050527 1031499589 /nfs/dbraw/zinc/49/95/89/1031499589.db2.gz RKCIKFWRHCWXIA-ZWKOTPCHSA-N 1 3 346.515 3.625 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000484491139 1031614612 /nfs/dbraw/zinc/61/46/12/1031614612.db2.gz RHESYJXHVZDALA-BFYDXBDKSA-N 1 3 337.305 3.899 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000194932181 1031737570 /nfs/dbraw/zinc/73/75/70/1031737570.db2.gz OPQBUUHONUGWHP-IPELMVKDSA-N 1 3 348.556 3.827 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000179455533 1031776469 /nfs/dbraw/zinc/77/64/69/1031776469.db2.gz FUXBIBNZUCDFMZ-UHFFFAOYSA-N 1 3 345.462 3.876 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000181009489 1031936468 /nfs/dbraw/zinc/93/64/68/1031936468.db2.gz CKLIYAZRIFAGDD-UHFFFAOYSA-N 1 3 344.528 3.600 20 0 EHADHO COc1ccc([C@@H](NC2CC(C[NH3+])C2)c2ccccc2Cl)cc1 ZINC000904360108 1031977882 /nfs/dbraw/zinc/97/78/82/1031977882.db2.gz HPYHWQDCRVVBLK-TYJKZOGGSA-N 1 3 330.859 3.765 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470037 1033367458 /nfs/dbraw/zinc/36/74/58/1033367458.db2.gz JOIUNGUEXJWLGE-GOEBONIOSA-N 1 3 326.431 3.677 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470037 1033367469 /nfs/dbraw/zinc/36/74/69/1033367469.db2.gz JOIUNGUEXJWLGE-GOEBONIOSA-N 1 3 326.431 3.677 20 0 EHADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(=O)OC(C)(C)C ZINC000595001776 1033628410 /nfs/dbraw/zinc/62/84/10/1033628410.db2.gz YNEKZSMLUGVOHV-RCCFBDPRSA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(=O)OC(C)(C)C ZINC000595001776 1033628424 /nfs/dbraw/zinc/62/84/24/1033628424.db2.gz YNEKZSMLUGVOHV-RCCFBDPRSA-N 1 3 338.536 3.597 20 0 EHADHO CC[NH+]1CCC(CCNCc2ccc(CSC(F)F)o2)CC1 ZINC000174551443 1033981081 /nfs/dbraw/zinc/98/10/81/1033981081.db2.gz ZDQMFYGBHMQWEC-UHFFFAOYSA-N 1 3 332.460 3.947 20 0 EHADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658123939 1033981596 /nfs/dbraw/zinc/98/15/96/1033981596.db2.gz OCXHREUWUOIGKT-DNVJHFABSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168845 1034035478 /nfs/dbraw/zinc/03/54/78/1034035478.db2.gz ZQPITRZJDSJBFU-JTSKRJEESA-N 1 3 335.495 3.817 20 0 EHADHO CCCc1ccc2nccc(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000450329199 1034114099 /nfs/dbraw/zinc/11/40/99/1034114099.db2.gz KMFZHEWBGWZQKV-UHFFFAOYSA-N 1 3 341.499 3.734 20 0 EHADHO CN(C)Cc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456254873 1034249929 /nfs/dbraw/zinc/24/99/29/1034249929.db2.gz APPBXLKQZHUQFO-FQEVSTJZSA-N 1 3 337.467 3.549 20 0 EHADHO c1ccc2c(c1)nccc2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000599950142 1034269314 /nfs/dbraw/zinc/26/93/14/1034269314.db2.gz NQZFLAAVFVYOLQ-UHFFFAOYSA-N 1 3 347.462 3.743 20 0 EHADHO CC1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000596691584 1034354064 /nfs/dbraw/zinc/35/40/64/1034354064.db2.gz KQNCSSJHZWXIOF-QFIPXVFZSA-N 1 3 338.495 3.536 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2cn3ccnc3s2)cc1 ZINC000892460438 1034402512 /nfs/dbraw/zinc/40/25/12/1034402512.db2.gz CGCULIAVWQKHEB-UHFFFAOYSA-N 1 3 328.485 3.527 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000534347199 1034417980 /nfs/dbraw/zinc/41/79/80/1034417980.db2.gz YDQYCBVCBWKQBJ-UHFFFAOYSA-N 1 3 330.516 3.952 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000534347199 1034417990 /nfs/dbraw/zinc/41/79/90/1034417990.db2.gz YDQYCBVCBWKQBJ-UHFFFAOYSA-N 1 3 330.516 3.952 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000604997807 1034579362 /nfs/dbraw/zinc/57/93/62/1034579362.db2.gz KSXLEWMUEWCTPF-ROUUACIJSA-N 1 3 330.516 3.570 20 0 EHADHO CC[C@@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1[NH3+] ZINC000647498213 1035349887 /nfs/dbraw/zinc/34/98/87/1035349887.db2.gz CUPUBZJMABEYRG-MJGOQNOKSA-N 1 3 334.467 3.585 20 0 EHADHO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000540976175 1035864179 /nfs/dbraw/zinc/86/41/79/1035864179.db2.gz JIWKBWBAGBNZCR-XUVXKRRUSA-N 1 3 330.516 3.692 20 0 EHADHO Cc1cc([C@H](NCC[C@H]2CCC[N@@H+](C)C2)c2cccnc2)ccc1F ZINC000414191893 1035977015 /nfs/dbraw/zinc/97/70/15/1035977015.db2.gz SCPJCJNDOPTBGW-UTKZUKDTSA-N 1 3 341.474 3.940 20 0 EHADHO Cc1cc([C@H](NCC[C@H]2CCC[N@H+](C)C2)c2cccnc2)ccc1F ZINC000414191893 1035977032 /nfs/dbraw/zinc/97/70/32/1035977032.db2.gz SCPJCJNDOPTBGW-UTKZUKDTSA-N 1 3 341.474 3.940 20 0 EHADHO COc1cc(C)c([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000171129152 1035991784 /nfs/dbraw/zinc/99/17/84/1035991784.db2.gz ANYXLLZFKWSGGY-MRXNPFEDSA-N 1 3 342.483 3.925 20 0 EHADHO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723330 1036265440 /nfs/dbraw/zinc/26/54/40/1036265440.db2.gz UBUGZQXTSMDJLF-AYWYSENESA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000190723330 1036265454 /nfs/dbraw/zinc/26/54/54/1036265454.db2.gz UBUGZQXTSMDJLF-AYWYSENESA-N 1 3 328.500 3.540 20 0 EHADHO c1ccc2c(c1)nc([C@H]1CCCCN1)n2C1CC[NH+](CC2CC2)CC1 ZINC001168387355 1036271031 /nfs/dbraw/zinc/27/10/31/1036271031.db2.gz FMFMNHKTEJJKNY-LJQANCHMSA-N 1 3 338.499 3.898 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(Br)o2)C1 ZINC000190772485 1036290827 /nfs/dbraw/zinc/29/08/27/1036290827.db2.gz CKXYJHXFBZIXRP-ZDUSSCGKSA-N 1 3 329.282 3.644 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(Br)o2)C1 ZINC000190772485 1036290842 /nfs/dbraw/zinc/29/08/42/1036290842.db2.gz CKXYJHXFBZIXRP-ZDUSSCGKSA-N 1 3 329.282 3.644 20 0 EHADHO c1cc(S[C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168393118 1036585607 /nfs/dbraw/zinc/58/56/07/1036585607.db2.gz WEARVFVZPHWMRD-LJQANCHMSA-N 1 3 331.529 3.513 20 0 EHADHO c1cc(S[C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168393118 1036585615 /nfs/dbraw/zinc/58/56/15/1036585615.db2.gz WEARVFVZPHWMRD-LJQANCHMSA-N 1 3 331.529 3.513 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000414344609 1036801800 /nfs/dbraw/zinc/80/18/00/1036801800.db2.gz ZMEWWRZBHSJJPO-KSEOMHKRSA-N 1 3 349.522 3.859 20 0 EHADHO CCC1(CO)CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000539817711 1037236026 /nfs/dbraw/zinc/23/60/26/1037236026.db2.gz NGHGUCMVENQLAJ-UHFFFAOYSA-N 1 3 332.532 3.629 20 0 EHADHO CCC1(CO)CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000539817711 1037236041 /nfs/dbraw/zinc/23/60/41/1037236041.db2.gz NGHGUCMVENQLAJ-UHFFFAOYSA-N 1 3 332.532 3.629 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000540161216 1037620016 /nfs/dbraw/zinc/62/00/16/1037620016.db2.gz PMFOKCBTSXUMJY-UYHISHBKSA-N 1 3 340.870 3.508 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463030642 1037687286 /nfs/dbraw/zinc/68/72/86/1037687286.db2.gz UDMMLZMWJDPVJT-IEBWSBKVSA-N 1 3 348.531 3.607 20 0 EHADHO Cc1c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cnn1-c1ccccc1 ZINC000760896764 1037692345 /nfs/dbraw/zinc/69/23/45/1037692345.db2.gz JJCKFVXXWMSJEN-KRWDZBQOSA-N 1 3 340.515 3.953 20 0 EHADHO COc1cc(C)c([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000123605379 1038043522 /nfs/dbraw/zinc/04/35/22/1038043522.db2.gz RLQAIWLJMNFGTJ-INIZCTEOSA-N 1 3 342.483 3.925 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000416183727 1038286603 /nfs/dbraw/zinc/28/66/03/1038286603.db2.gz LKNYLOLJATXIAI-HXUWFJFHSA-N 1 3 339.483 3.688 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CO1 ZINC000659980709 1038599601 /nfs/dbraw/zinc/59/96/01/1038599601.db2.gz YLUJEGJPVGZVJG-CTNGQTDRSA-N 1 3 328.500 3.542 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CO1 ZINC000659980709 1038599606 /nfs/dbraw/zinc/59/96/06/1038599606.db2.gz YLUJEGJPVGZVJG-CTNGQTDRSA-N 1 3 328.500 3.542 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000479872659 1038816640 /nfs/dbraw/zinc/81/66/40/1038816640.db2.gz IIXVSDVAPBFYSV-OAHLLOKOSA-N 1 3 343.284 3.753 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552251254 1039102241 /nfs/dbraw/zinc/10/22/41/1039102241.db2.gz PPGLUIFDTODVTM-YPAWHYETSA-N 1 3 337.511 3.806 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552251254 1039102252 /nfs/dbraw/zinc/10/22/52/1039102252.db2.gz PPGLUIFDTODVTM-YPAWHYETSA-N 1 3 337.511 3.806 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCSC4)[C@H]3C2)cc1 ZINC000552265140 1039123536 /nfs/dbraw/zinc/12/35/36/1039123536.db2.gz LFVHUGMFPNNJHK-MUGJNUQGSA-N 1 3 330.541 3.772 20 0 EHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCCC1 ZINC000554714290 1039623489 /nfs/dbraw/zinc/62/34/89/1039623489.db2.gz UNFNYXFIGVJOEZ-CYBMUJFWSA-N 1 3 343.284 3.595 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OCCC(C)C ZINC000531682999 1039707117 /nfs/dbraw/zinc/70/71/17/1039707117.db2.gz XYMIBBYHSJOCJG-ZHALLVOQSA-N 1 3 348.531 3.938 20 0 EHADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000480660250 1039823026 /nfs/dbraw/zinc/82/30/26/1039823026.db2.gz HSOXCXORRROGFV-HZTRTUMWSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000480660250 1039823037 /nfs/dbraw/zinc/82/30/37/1039823037.db2.gz HSOXCXORRROGFV-HZTRTUMWSA-N 1 3 326.406 3.970 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000480737988 1039950964 /nfs/dbraw/zinc/95/09/64/1039950964.db2.gz INFAGMOYPIBKEH-LEWJYISDSA-N 1 3 344.474 3.862 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCc1ccc(C(C)(C)C)cc1 ZINC000555092581 1040134378 /nfs/dbraw/zinc/13/43/78/1040134378.db2.gz JPJNPNCSSWEMPC-QHAWAJNXSA-N 1 3 344.543 3.710 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667786210 1040192480 /nfs/dbraw/zinc/19/24/80/1040192480.db2.gz LCFXSAZNBBIPLQ-HBGVWJBISA-N 1 3 328.500 3.576 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667786210 1040192495 /nfs/dbraw/zinc/19/24/95/1040192495.db2.gz LCFXSAZNBBIPLQ-HBGVWJBISA-N 1 3 328.500 3.576 20 0 EHADHO CC(C)(C)c1nc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925627249 1040306032 /nfs/dbraw/zinc/30/60/32/1040306032.db2.gz VKXUCCYVQMLAMQ-IRXDYDNUSA-N 1 3 335.561 3.741 20 0 EHADHO CC[N@H+](Cc1ccnn1-c1ccncc1)[C@H](C)c1cccc(OC)c1 ZINC000667516050 1040381624 /nfs/dbraw/zinc/38/16/24/1040381624.db2.gz SQFZJFRRDBHIFM-MRXNPFEDSA-N 1 3 336.439 3.859 20 0 EHADHO CC[N@@H+](Cc1ccnn1-c1ccncc1)[C@H](C)c1cccc(OC)c1 ZINC000667516050 1040381637 /nfs/dbraw/zinc/38/16/37/1040381637.db2.gz SQFZJFRRDBHIFM-MRXNPFEDSA-N 1 3 336.439 3.859 20 0 EHADHO C[NH+]1CCC(CCNCc2ccc(Cl)cc2Br)CC1 ZINC000157357091 1041012454 /nfs/dbraw/zinc/01/24/54/1041012454.db2.gz AXYQEGCFQVYZFP-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000894135686 1041158849 /nfs/dbraw/zinc/15/88/49/1041158849.db2.gz ZIQBIRMKYWDLGC-FQEVSTJZSA-N 1 3 340.515 3.693 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCC(=O)OC(C)(C)C)CC2)C1 ZINC000512963739 1041305356 /nfs/dbraw/zinc/30/53/56/1041305356.db2.gz IHPUSGZYRMCWOO-SJLPKXTDSA-N 1 3 338.536 3.741 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000513025480 1041397177 /nfs/dbraw/zinc/39/71/77/1041397177.db2.gz GDTCGJAFBZAYLB-ZIAGYGMSSA-N 1 3 345.314 3.972 20 0 EHADHO Cc1cc(F)ncc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000893411545 1041901726 /nfs/dbraw/zinc/90/17/26/1041901726.db2.gz HDUFFTXRGZQEHF-SJLPKXTDSA-N 1 3 327.447 3.529 20 0 EHADHO CC(C)[NH+]1CCN(CCCN2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000661437291 1042122544 /nfs/dbraw/zinc/12/25/44/1042122544.db2.gz KIPVZQIIHMLUCZ-HXUWFJFHSA-N 1 3 345.531 3.613 20 0 EHADHO Fc1ccc(-c2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662293933 1042663126 /nfs/dbraw/zinc/66/31/26/1042663126.db2.gz VHTPNHBITWZJDY-KRWDZBQOSA-N 1 3 343.446 3.692 20 0 EHADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298429 1042665976 /nfs/dbraw/zinc/66/59/76/1042665976.db2.gz WCBKQCOQUYPCSA-MAUKXSAKSA-N 1 3 340.471 3.509 20 0 EHADHO C[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662312421 1042681785 /nfs/dbraw/zinc/68/17/85/1042681785.db2.gz CBEGFOMKHMSAQS-CZUORRHYSA-N 1 3 348.878 3.729 20 0 EHADHO Fc1ccc(COC2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000162205027 1042714785 /nfs/dbraw/zinc/71/47/85/1042714785.db2.gz FHRULNYFJOMQKN-UHFFFAOYSA-N 1 3 334.479 3.683 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925777257 1042901212 /nfs/dbraw/zinc/90/12/12/1042901212.db2.gz CWVYWAAFGOAWGL-GXTWGEPZSA-N 1 3 334.357 3.574 20 0 EHADHO CC[C@@H]([NH2+]C[C@H](C)N)c1ccc(Br)cc1C(F)(F)F ZINC000643527280 1042978059 /nfs/dbraw/zinc/97/80/59/1042978059.db2.gz KVAYXMXMXBHBOZ-QPUJVOFHSA-N 1 3 339.199 3.856 20 0 EHADHO CC(C)[C@H](NCc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000343986799 1043062147 /nfs/dbraw/zinc/06/21/47/1043062147.db2.gz NQYVXRHXNJLVIA-FQEVSTJZSA-N 1 3 327.472 3.509 20 0 EHADHO Cc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000512180707 1043689113 /nfs/dbraw/zinc/68/91/13/1043689113.db2.gz AZGZUWKMJAQETM-QZTJIDSGSA-N 1 3 330.516 3.625 20 0 EHADHO CC[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccncc1 ZINC000344590315 1044154146 /nfs/dbraw/zinc/15/41/46/1044154146.db2.gz WSQJPPFZESAOIF-FQEVSTJZSA-N 1 3 327.472 3.653 20 0 EHADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CC1 ZINC000183373564 1125542923 /nfs/dbraw/zinc/54/29/23/1125542923.db2.gz CWKBCAAEDLQCPE-UZLBHIALSA-N 1 3 346.515 3.757 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236844 1125760458 /nfs/dbraw/zinc/76/04/58/1125760458.db2.gz YHXYRKQSCFMXMG-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236844 1125760463 /nfs/dbraw/zinc/76/04/63/1125760463.db2.gz YHXYRKQSCFMXMG-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000163236844 1125760468 /nfs/dbraw/zinc/76/04/68/1125760468.db2.gz YHXYRKQSCFMXMG-UGKGYDQZSA-N 1 3 338.495 3.910 20 0 EHADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402991547 1126818274 /nfs/dbraw/zinc/81/82/74/1126818274.db2.gz MNCMTQSIYWFAGW-NOLJZWGESA-N 1 3 328.378 3.707 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc3c[nH]nc3c2)CC1 ZINC000671301273 1126884880 /nfs/dbraw/zinc/88/48/80/1126884880.db2.gz DEQUZOCDAJFKRQ-KKSFZXQISA-N 1 3 340.515 3.738 20 0 EHADHO COc1ccccc1[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)OC(C)C ZINC000623495323 1126967879 /nfs/dbraw/zinc/96/78/79/1126967879.db2.gz ZDWHERZRCDTGLI-QFBILLFUSA-N 1 3 334.504 3.624 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179685269 1127081095 /nfs/dbraw/zinc/08/10/95/1127081095.db2.gz LWXWGFMWLVOZAG-UHFFFAOYSA-N 1 3 334.552 3.662 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179685269 1127081099 /nfs/dbraw/zinc/08/10/99/1127081099.db2.gz LWXWGFMWLVOZAG-UHFFFAOYSA-N 1 3 334.552 3.662 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)cc1 ZINC000624120411 1127255350 /nfs/dbraw/zinc/25/53/50/1127255350.db2.gz YJSPRCVUWPUQAP-ZIAGYGMSSA-N 1 3 325.294 3.832 20 0 EHADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)ccc1OC(F)F ZINC000624119743 1127255554 /nfs/dbraw/zinc/25/55/54/1127255554.db2.gz IOVBDIPWJWVSLM-KGLIPLIRSA-N 1 3 342.430 3.679 20 0 EHADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381792231 1127492633 /nfs/dbraw/zinc/49/26/33/1127492633.db2.gz BBZGOIGWDRRGGK-NCXUSEDFSA-N 1 3 334.454 3.922 20 0 EHADHO CN1CCCC[C@@H]1c1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545652 1127682691 /nfs/dbraw/zinc/68/26/91/1127682691.db2.gz YOJCIWFECLAEDT-IEBWSBKVSA-N 1 3 336.483 3.823 20 0 EHADHO C[C@@H](NCc1cc(F)c(F)cc1Br)C1CC[NH+](C)CC1 ZINC000671769480 1128267859 /nfs/dbraw/zinc/26/78/59/1128267859.db2.gz YBNITJJHEXXZFW-SNVBAGLBSA-N 1 3 347.247 3.547 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccccc2)cc1OC ZINC000069750019 1128291416 /nfs/dbraw/zinc/29/14/16/1128291416.db2.gz ZNUSLXYLYGXCGP-UHFFFAOYSA-N 1 3 342.483 3.706 20 0 EHADHO CN(C)Cc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000090919942 1128454024 /nfs/dbraw/zinc/45/40/24/1128454024.db2.gz GIIKDOUYENPRLV-UHFFFAOYSA-N 1 3 347.522 3.774 20 0 EHADHO Cc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1Br ZINC000715562300 1128572559 /nfs/dbraw/zinc/57/25/59/1128572559.db2.gz OEFJHBNSCXHHNQ-GJZGRUSLSA-N 1 3 325.294 3.720 20 0 EHADHO CN1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494499583 1120573368 /nfs/dbraw/zinc/57/33/68/1120573368.db2.gz ZUKBMMDCGCNGKO-JLSDUUJJSA-N 1 3 340.870 3.773 20 0 EHADHO CC[C@@H](C)[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192719195 1120744937 /nfs/dbraw/zinc/74/49/37/1120744937.db2.gz KTJFADGNVBSOAC-HXUWFJFHSA-N 1 3 331.548 3.703 20 0 EHADHO CC[C@@H](C)[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192719195 1120744940 /nfs/dbraw/zinc/74/49/40/1120744940.db2.gz KTJFADGNVBSOAC-HXUWFJFHSA-N 1 3 331.548 3.703 20 0 EHADHO Cc1c(Br)ccc(CN2CCC3(CC[NH2+]C3)CC2)c1C ZINC001235103111 1121304567 /nfs/dbraw/zinc/30/45/67/1121304567.db2.gz DOWQWRGFVCGAHB-UHFFFAOYSA-N 1 3 337.305 3.641 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)ccc1OC ZINC000762647927 1121397683 /nfs/dbraw/zinc/39/76/83/1121397683.db2.gz GRGAVZWJMURPRQ-TXPKVOOTSA-N 1 3 334.504 3.613 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653158 1128988188 /nfs/dbraw/zinc/98/81/88/1128988188.db2.gz ACIQNZGVPWOMGA-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653158 1128988191 /nfs/dbraw/zinc/98/81/91/1128988191.db2.gz ACIQNZGVPWOMGA-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000356653158 1128988194 /nfs/dbraw/zinc/98/81/94/1128988194.db2.gz ACIQNZGVPWOMGA-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C(C)(C)C ZINC000556094020 1122809528 /nfs/dbraw/zinc/80/95/28/1122809528.db2.gz ONFCPBFQSAKMEZ-AABGKKOBSA-N 1 3 331.548 3.778 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233823 1122886671 /nfs/dbraw/zinc/88/66/71/1122886671.db2.gz SIXGWJFQTOXIKM-RXVVDRJESA-N 1 3 342.527 3.693 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231220 1122892815 /nfs/dbraw/zinc/89/28/15/1122892815.db2.gz DIEZGOUBCZPBRY-SFTDATJTSA-N 1 3 342.527 3.693 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000132515735 1123240895 /nfs/dbraw/zinc/24/08/95/1123240895.db2.gz ULHXEKMPJYWJEL-WBMJQRKESA-N 1 3 339.405 3.552 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCc3ccc(C)cc32)[C@@H](C)C1 ZINC000248185127 1124645530 /nfs/dbraw/zinc/64/55/30/1124645530.db2.gz XDSORJNOPUWRCV-DZFGPLHGSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3ccc(C)cc32)[C@@H](C)C1 ZINC000248185127 1124645532 /nfs/dbraw/zinc/64/55/32/1124645532.db2.gz XDSORJNOPUWRCV-DZFGPLHGSA-N 1 3 330.516 3.709 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)N1CCC(C)CC1 ZINC000520552089 1124653601 /nfs/dbraw/zinc/65/36/01/1124653601.db2.gz SHMLQMZNHKQJNI-NRSPTQNISA-N 1 3 329.532 3.532 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000248399123 1124656999 /nfs/dbraw/zinc/65/69/99/1124656999.db2.gz JRFRNPMXERBVDI-ACIOBRDBSA-N 1 3 349.522 3.905 20 0 EHADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248404341 1124658297 /nfs/dbraw/zinc/65/82/97/1124658297.db2.gz QBHKWUOBHXYLHC-PWRODBHTSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000248531020 1124670640 /nfs/dbraw/zinc/67/06/40/1124670640.db2.gz NSWOKBLGPPTUOP-ZWKOTPCHSA-N 1 3 326.488 3.787 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000093397563 1125240509 /nfs/dbraw/zinc/24/05/09/1125240509.db2.gz XLWYXTWYIWHQAL-LJQANCHMSA-N 1 3 335.561 3.597 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc1CN1CCCCC1 ZINC000182566502 1125334520 /nfs/dbraw/zinc/33/45/20/1125334520.db2.gz RRZOCMBOJVVLKF-PXNSSMCTSA-N 1 3 348.531 3.739 20 0 EHADHO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182618830 1125341106 /nfs/dbraw/zinc/34/11/06/1125341106.db2.gz LXVTZCARHVWWPH-DLBZAZTESA-N 1 3 334.504 3.614 20 0 EHADHO c1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210700 1125413166 /nfs/dbraw/zinc/41/31/66/1125413166.db2.gz LPKGEQXZBFUBBW-CBPXPLCBSA-N 1 3 341.543 3.724 20 0 EHADHO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182999582 1125416707 /nfs/dbraw/zinc/41/67/07/1125416707.db2.gz WMVIHKOYOULSKN-QFBILLFUSA-N 1 3 334.504 3.757 20 0 EHADHO COc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)ccc1F ZINC000153004912 1125417321 /nfs/dbraw/zinc/41/73/21/1125417321.db2.gz XMAWVEKDWHPRTR-HNNXBMFYSA-N 1 3 346.446 3.626 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCOC(C)C)cc1CN1CCCCC1 ZINC000186638932 1129727302 /nfs/dbraw/zinc/72/73/02/1129727302.db2.gz ICDHPRSUCQKTGH-KRWDZBQOSA-N 1 3 334.504 3.757 20 0 EHADHO Cc1n[nH]c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001117714654 1129885909 /nfs/dbraw/zinc/88/59/09/1129885909.db2.gz IUNOFBJXBGPCRV-IHWFROFDSA-N 1 3 338.499 3.702 20 0 EHADHO C[C@@H]1C[C@H](NCCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781436 1130472169 /nfs/dbraw/zinc/47/21/69/1130472169.db2.gz ZQEMLBQAOMOWGE-AUSIDOKSSA-N 1 3 349.522 3.645 20 0 EHADHO C[C@@H]1C[C@H](NCCN2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000675781436 1130472172 /nfs/dbraw/zinc/47/21/72/1130472172.db2.gz ZQEMLBQAOMOWGE-AUSIDOKSSA-N 1 3 349.522 3.645 20 0 EHADHO CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001172432473 1131726115 /nfs/dbraw/zinc/72/61/15/1131726115.db2.gz BITHNQYRFMMVAK-CWJKEVGVSA-N 1 3 330.516 3.690 20 0 EHADHO Cc1ccc2c(c1)C[C@H](N1CCC([NH+]3CCC(F)CC3)CC1)CC2 ZINC001172829735 1131854170 /nfs/dbraw/zinc/85/41/70/1131854170.db2.gz CQNSFIATJRQXNP-OAQYLSRUSA-N 1 3 330.491 3.751 20 0 EHADHO CO[C@H]1CCC[C@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)C1 ZINC001172933212 1131909902 /nfs/dbraw/zinc/90/99/02/1131909902.db2.gz XIUHMRJJARVBTB-ROUUACIJSA-N 1 3 339.483 3.623 20 0 EHADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172939266 1131912885 /nfs/dbraw/zinc/91/28/85/1131912885.db2.gz OYBVYGIEDSHQCI-LEWJYISDSA-N 1 3 330.516 3.931 20 0 EHADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172939266 1131912891 /nfs/dbraw/zinc/91/28/91/1131912891.db2.gz OYBVYGIEDSHQCI-LEWJYISDSA-N 1 3 330.516 3.931 20 0 EHADHO CCSC[C@H](C)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001173293458 1132030384 /nfs/dbraw/zinc/03/03/84/1132030384.db2.gz ASZQRSLKAMGDRV-AWEZNQCLSA-N 1 3 326.937 3.817 20 0 EHADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173720704 1132137300 /nfs/dbraw/zinc/13/73/00/1132137300.db2.gz MDRDLRUMSDFBFW-INIZCTEOSA-N 1 3 346.515 3.647 20 0 EHADHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173720704 1132137302 /nfs/dbraw/zinc/13/73/02/1132137302.db2.gz MDRDLRUMSDFBFW-INIZCTEOSA-N 1 3 346.515 3.647 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccncc1 ZINC000509455344 1132570170 /nfs/dbraw/zinc/57/01/70/1132570170.db2.gz POJLDEJYVVMLQE-JLXBBBJOSA-N 1 3 335.495 3.985 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccncc1 ZINC000509455344 1132570175 /nfs/dbraw/zinc/57/01/75/1132570175.db2.gz POJLDEJYVVMLQE-JLXBBBJOSA-N 1 3 335.495 3.985 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115731 1132672983 /nfs/dbraw/zinc/67/29/83/1132672983.db2.gz NPOGNHWPLOIWFV-YYIAUSFCSA-N 1 3 339.405 3.766 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc4sccc43)CC1)C2 ZINC001169155530 1132680952 /nfs/dbraw/zinc/68/09/52/1132680952.db2.gz QKCRWYYTNUTONM-BJWYYQGGSA-N 1 3 341.524 3.649 20 0 EHADHO CC[NH+]1CCC(N(C)[C@@H](C)c2cccc(Br)c2)CC1 ZINC001169264907 1132705909 /nfs/dbraw/zinc/70/59/09/1132705909.db2.gz SXEZOAQVQLIESO-ZDUSSCGKSA-N 1 3 325.294 3.926 20 0 EHADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715554 1132741631 /nfs/dbraw/zinc/74/16/31/1132741631.db2.gz QESIXQLZVNNQAI-RDJZCZTQSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001175715554 1132741637 /nfs/dbraw/zinc/74/16/37/1132741637.db2.gz QESIXQLZVNNQAI-RDJZCZTQSA-N 1 3 338.923 3.609 20 0 EHADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)cc1F ZINC001206025606 1132903814 /nfs/dbraw/zinc/90/38/14/1132903814.db2.gz OFOWHWZXZVOIGU-STQMWFEESA-N 1 3 343.284 3.703 20 0 EHADHO COC[C@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271086 1133352825 /nfs/dbraw/zinc/35/28/25/1133352825.db2.gz BKXHOENNRQSCDZ-UNMCSNQZSA-N 1 3 344.543 3.893 20 0 EHADHO COC[C@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271086 1133352831 /nfs/dbraw/zinc/35/28/31/1133352831.db2.gz BKXHOENNRQSCDZ-UNMCSNQZSA-N 1 3 344.543 3.893 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482884 1133688198 /nfs/dbraw/zinc/68/81/98/1133688198.db2.gz FIHLTWSQMQWHSJ-NYVOZVTQSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000774482884 1133688200 /nfs/dbraw/zinc/68/82/00/1133688200.db2.gz FIHLTWSQMQWHSJ-NYVOZVTQSA-N 1 3 338.495 3.671 20 0 EHADHO BrC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC001184116029 1133899785 /nfs/dbraw/zinc/89/97/85/1133899785.db2.gz SZVZWVCZCCIABN-BBWFWOEESA-N 1 3 349.316 3.557 20 0 EHADHO BrC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001184116029 1133899788 /nfs/dbraw/zinc/89/97/88/1133899788.db2.gz SZVZWVCZCCIABN-BBWFWOEESA-N 1 3 349.316 3.557 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1CN1CCCCC1 ZINC000775383119 1134694301 /nfs/dbraw/zinc/69/43/01/1134694301.db2.gz UZIRHUWELDKSEJ-XLIONFOSSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCOCC2CC2)cc1CN1CCCCC1 ZINC000775387858 1134700996 /nfs/dbraw/zinc/70/09/96/1134700996.db2.gz ODQVCTYEBVSMIV-QGZVFWFLSA-N 1 3 346.515 3.758 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCC[C@@H](C)CO)cc1CN1CCCCC1 ZINC000775421783 1134766704 /nfs/dbraw/zinc/76/67/04/1134766704.db2.gz JKMQDKNDLUDEIC-MSOLQXFVSA-N 1 3 348.531 3.740 20 0 EHADHO CCOC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716692369 1134990286 /nfs/dbraw/zinc/99/02/86/1134990286.db2.gz LKCBSFFIUUGHLG-JSXRDJHFSA-N 1 3 330.516 3.690 20 0 EHADHO c1[nH]nc2cc(CNC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC001199850411 1135931896 /nfs/dbraw/zinc/93/18/96/1135931896.db2.gz FSHBAPAVDZLOMI-IBGZPJMESA-N 1 3 334.467 3.565 20 0 EHADHO c1[nH]nc2cc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC001199850411 1135931898 /nfs/dbraw/zinc/93/18/98/1135931898.db2.gz FSHBAPAVDZLOMI-IBGZPJMESA-N 1 3 334.467 3.565 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810698347 1135998112 /nfs/dbraw/zinc/99/81/12/1135998112.db2.gz ZYSFFBXXDBLGPQ-HXUWFJFHSA-N 1 3 349.494 3.679 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC001170682154 1136230194 /nfs/dbraw/zinc/23/01/94/1136230194.db2.gz LWHUUMTZVRPXKT-HNNXBMFYSA-N 1 3 332.451 3.897 20 0 EHADHO O[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21 ZINC000850528888 1136279577 /nfs/dbraw/zinc/27/95/77/1136279577.db2.gz NUBIXVBHAVJOFU-ZWMFTONKSA-N 1 3 348.490 3.950 20 0 EHADHO Cc1cc(C[NH2+]C[C@@H](C)CN(C)C)cc(C)c1OCc1ccccn1 ZINC000813785552 1136362176 /nfs/dbraw/zinc/36/21/76/1136362176.db2.gz DHOOSNHCIOCDNV-MRXNPFEDSA-N 1 3 341.499 3.565 20 0 EHADHO CCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000813790120 1136362972 /nfs/dbraw/zinc/36/29/72/1136362972.db2.gz IQRYUVGRAVSFBG-SEJPIABJSA-N 1 3 338.499 3.578 20 0 EHADHO Cc1cc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000338939537 1136391162 /nfs/dbraw/zinc/39/11/62/1136391162.db2.gz GDVBRSURRCVCSW-GASCZTMLSA-N 1 3 336.545 3.686 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000854231412 1136599985 /nfs/dbraw/zinc/59/99/85/1136599985.db2.gz HLLPIBUDQCKJEA-UONOGXRCSA-N 1 3 325.456 3.586 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](OC)C2CC2)cc1CN1CCCCC1 ZINC000815651360 1136626364 /nfs/dbraw/zinc/62/63/64/1136626364.db2.gz QQFMOTLWOWPATD-IERDGZPVSA-N 1 3 346.515 3.757 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCCCF)C2)ccn1 ZINC000856603920 1136797953 /nfs/dbraw/zinc/79/79/53/1136797953.db2.gz HENLTMDNNUGERP-IBGZPJMESA-N 1 3 337.483 3.515 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCCCF)C2)ccn1 ZINC000856603920 1136797957 /nfs/dbraw/zinc/79/79/57/1136797957.db2.gz HENLTMDNNUGERP-IBGZPJMESA-N 1 3 337.483 3.515 20 0 EHADHO c1cnc2c(c1)CC[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CC2 ZINC000817575471 1136821950 /nfs/dbraw/zinc/82/19/50/1136821950.db2.gz XKVLQEKWFLSXID-FQEVSTJZSA-N 1 3 341.543 3.963 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCNC[C@@H]3C)CC2)cc1 ZINC000817970930 1136854000 /nfs/dbraw/zinc/85/40/00/1136854000.db2.gz HTBKIMXTZDEKEG-QGZBPCDMSA-N 1 3 330.516 3.528 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000818964533 1136891648 /nfs/dbraw/zinc/89/16/48/1136891648.db2.gz YZXAABKOSZCSEL-LJQANCHMSA-N 1 3 348.437 3.630 20 0 EHADHO OCc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)ccn1 ZINC000858373636 1136962509 /nfs/dbraw/zinc/96/25/09/1136962509.db2.gz LVNBCCIQWSCEMP-UHFFFAOYSA-N 1 3 325.456 3.562 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490204 1136972466 /nfs/dbraw/zinc/97/24/66/1136972466.db2.gz CVKXEJSTEWWDNW-VXGBXAGGSA-N 1 3 330.303 3.958 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2cc(F)ncc2F)C[N@@H+]1Cc1ccccc1 ZINC000824037375 1137122527 /nfs/dbraw/zinc/12/25/27/1137122527.db2.gz LNQOOPBEALPNKM-NVXWUHKLSA-N 1 3 345.437 3.750 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037375 1137122529 /nfs/dbraw/zinc/12/25/29/1137122529.db2.gz LNQOOPBEALPNKM-NVXWUHKLSA-N 1 3 345.437 3.750 20 0 EHADHO CCc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000844222541 1137203559 /nfs/dbraw/zinc/20/35/59/1137203559.db2.gz FQVVHVJJJSYKRY-UHFFFAOYSA-N 1 3 341.524 3.948 20 0 EHADHO C1C[C@H]2SCCS[C@H]2[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000773139139 1137468459 /nfs/dbraw/zinc/46/84/59/1137468459.db2.gz SGTNXMQBUNGBEB-KURKYZTESA-N 1 3 340.602 3.753 20 0 EHADHO Cc1nc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cs1 ZINC000716702688 1137488498 /nfs/dbraw/zinc/48/84/98/1137488498.db2.gz UWEWSJJDMYEJFS-IHPCNDPISA-N 1 3 341.524 3.637 20 0 EHADHO Cc1nc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cs1 ZINC000716702688 1137488499 /nfs/dbraw/zinc/48/84/99/1137488499.db2.gz UWEWSJJDMYEJFS-IHPCNDPISA-N 1 3 341.524 3.637 20 0 EHADHO Cc1nc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cs1 ZINC000716702688 1137488501 /nfs/dbraw/zinc/48/85/01/1137488501.db2.gz UWEWSJJDMYEJFS-IHPCNDPISA-N 1 3 341.524 3.637 20 0 EHADHO CC(C)(C)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716729011 1137488728 /nfs/dbraw/zinc/48/87/28/1137488728.db2.gz RGZGVMUHELQWRY-ZCNNSNEGSA-N 1 3 330.516 3.834 20 0 EHADHO Fc1cc2c(cc1F)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001171463219 1137490793 /nfs/dbraw/zinc/49/07/93/1137490793.db2.gz OQKVHEGCINLEEK-KRWDZBQOSA-N 1 3 334.454 3.819 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001171693936 1137507619 /nfs/dbraw/zinc/50/76/19/1137507619.db2.gz PUWXRCLIFLQKLY-GBESFXJTSA-N 1 3 340.515 3.565 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001171693936 1137507621 /nfs/dbraw/zinc/50/76/21/1137507621.db2.gz PUWXRCLIFLQKLY-GBESFXJTSA-N 1 3 340.515 3.565 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104909 1137536470 /nfs/dbraw/zinc/53/64/70/1137536470.db2.gz FARJPUUTWGWHFR-BMQTXXJKSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccccc1F)C1CCOCC1)C2 ZINC001172104909 1137536472 /nfs/dbraw/zinc/53/64/72/1137536472.db2.gz FARJPUUTWGWHFR-BMQTXXJKSA-N 1 3 346.490 3.898 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234649 1137542746 /nfs/dbraw/zinc/54/27/46/1137542746.db2.gz ILZSZNMQZIGWMO-YQQQUEKLSA-N 1 3 346.902 3.628 20 0 EHADHO COCCC[NH+]1CCC(N(C)Cc2ccc3ccccc3c2)CC1 ZINC001172254470 1137544689 /nfs/dbraw/zinc/54/46/89/1137544689.db2.gz NHXSWILTJNPREW-UHFFFAOYSA-N 1 3 326.484 3.773 20 0 EHADHO COCCC[NH+]1CCC(N(Cc2cccc(C)c2C)C2CC2)CC1 ZINC001172256866 1137545213 /nfs/dbraw/zinc/54/52/13/1137545213.db2.gz HKYSXNLBXKTBPE-UHFFFAOYSA-N 1 3 330.516 3.769 20 0 EHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001172326829 1137547627 /nfs/dbraw/zinc/54/76/27/1137547627.db2.gz BHWMKBZTNWFTHH-QZTJIDSGSA-N 1 3 348.531 3.625 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872023590 1137565502 /nfs/dbraw/zinc/56/55/02/1137565502.db2.gz SQZDLLJGRVFUCQ-GOSISDBHSA-N 1 3 347.572 3.619 20 0 EHADHO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247402 1137595290 /nfs/dbraw/zinc/59/52/90/1137595290.db2.gz MEDUAFHRIGACBA-MRXNPFEDSA-N 1 3 349.482 3.700 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252553 1137595419 /nfs/dbraw/zinc/59/54/19/1137595419.db2.gz PIEWIWSIVZXVPP-DETPVDSQSA-N 1 3 327.394 3.644 20 0 EHADHO C[C@@H](N[C@H](c1cc2ccccc2o1)c1cccnc1)C1CC[NH2+]CC1 ZINC000873269826 1137595858 /nfs/dbraw/zinc/59/58/58/1137595858.db2.gz UIOMHSQKQRWTAM-VFNWGFHPSA-N 1 3 335.451 3.895 20 0 EHADHO CC[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1F ZINC000873294074 1137596808 /nfs/dbraw/zinc/59/68/08/1137596808.db2.gz SLNMZSZNOPLHPB-CZUORRHYSA-N 1 3 340.870 3.679 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529939 1137679922 /nfs/dbraw/zinc/67/99/22/1137679922.db2.gz ABFXNWMHZZLQHK-YJBOKZPZSA-N 1 3 347.503 3.806 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529939 1137679923 /nfs/dbraw/zinc/67/99/23/1137679923.db2.gz ABFXNWMHZZLQHK-YJBOKZPZSA-N 1 3 347.503 3.806 20 0 EHADHO c1c(CNCCC2CC[NH+](Cc3ccccc3)CC2)onc1C1CC1 ZINC000877698632 1137686274 /nfs/dbraw/zinc/68/62/74/1137686274.db2.gz ZHOURJSVYSVBME-UHFFFAOYSA-N 1 3 339.483 3.944 20 0 EHADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195133 1137848077 /nfs/dbraw/zinc/84/80/77/1137848077.db2.gz LMLVNLVMJHKRCX-ZCNNSNEGSA-N 1 3 334.479 3.756 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883195133 1137848078 /nfs/dbraw/zinc/84/80/78/1137848078.db2.gz LMLVNLVMJHKRCX-ZCNNSNEGSA-N 1 3 334.479 3.756 20 0 EHADHO Cc1[nH]nc(CNCc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000885956080 1138028293 /nfs/dbraw/zinc/02/82/93/1138028293.db2.gz HLTCVKBJPDDDTG-UHFFFAOYSA-N 1 3 326.488 3.692 20 0 EHADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886542941 1138093695 /nfs/dbraw/zinc/09/36/95/1138093695.db2.gz IHFFVGMBESPXTJ-CUUWFGFTSA-N 1 3 342.527 3.833 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NC2(C(=O)Nc3ccccc3)CC2)CC1 ZINC000886593894 1138100325 /nfs/dbraw/zinc/10/03/25/1138100325.db2.gz BGWBYZWKULNTFN-UHFFFAOYSA-N 1 3 341.499 3.544 20 0 EHADHO CC(C)[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605388 1138101042 /nfs/dbraw/zinc/10/10/42/1138101042.db2.gz PNSJCWZPQDFVJY-LEWJYISDSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886605388 1138101043 /nfs/dbraw/zinc/10/10/43/1138101043.db2.gz PNSJCWZPQDFVJY-LEWJYISDSA-N 1 3 340.515 3.619 20 0 EHADHO COCC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886615546 1138102423 /nfs/dbraw/zinc/10/24/23/1138102423.db2.gz ITLAOMOORSFZJW-HBMCJLEFSA-N 1 3 342.527 3.836 20 0 EHADHO CC1(C)[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1(F)F ZINC000886638479 1138104528 /nfs/dbraw/zinc/10/45/28/1138104528.db2.gz VOFXXYQROOQLCW-XWTMOSNGSA-N 1 3 334.454 3.920 20 0 EHADHO Cc1ccc([C@@H](NCc2ccnc(OCC[NH+](C)C)c2)C2CC2)cc1 ZINC000091408617 1138219448 /nfs/dbraw/zinc/21/94/48/1138219448.db2.gz XQSLMKPLEBIVMM-OAQYLSRUSA-N 1 3 339.483 3.571 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337486276 1138583398 /nfs/dbraw/zinc/58/33/98/1138583398.db2.gz SRHUMYIPEWBRPK-FGTMMUONSA-N 1 3 348.535 3.538 20 0 EHADHO Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnn1C ZINC000135262968 1138738183 /nfs/dbraw/zinc/73/81/83/1138738183.db2.gz UJYZFGNUOLOEJG-MIJOPJBOSA-N 1 3 338.499 3.575 20 0 EHADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000338458887 1138925151 /nfs/dbraw/zinc/92/51/51/1138925151.db2.gz ZWFZMUZVOFRKIC-GOSISDBHSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c(-c2ccnn2C)c1 ZINC000338458887 1138925153 /nfs/dbraw/zinc/92/51/53/1138925153.db2.gz ZWFZMUZVOFRKIC-GOSISDBHSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)c(-c2ccnn2C)c1 ZINC000338458887 1138925154 /nfs/dbraw/zinc/92/51/54/1138925154.db2.gz ZWFZMUZVOFRKIC-GOSISDBHSA-N 1 3 340.515 3.606 20 0 EHADHO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178470676 1139697673 /nfs/dbraw/zinc/69/76/73/1139697673.db2.gz DDORNMKLYVOFER-QZTJIDSGSA-N 1 3 346.515 3.627 20 0 EHADHO c1ccc(CN2C[C@H]3CCC[C@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000183125136 1140015096 /nfs/dbraw/zinc/01/50/96/1140015096.db2.gz UKYFTXAHOJTORY-FCEUIQTBSA-N 1 3 335.495 3.514 20 0 EHADHO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502655 1140468377 /nfs/dbraw/zinc/46/83/77/1140468377.db2.gz MRZFLONRXDAULW-SFTDATJTSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502655 1140468380 /nfs/dbraw/zinc/46/83/80/1140468380.db2.gz MRZFLONRXDAULW-SFTDATJTSA-N 1 3 343.559 3.589 20 0 EHADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000268866565 1141011924 /nfs/dbraw/zinc/01/19/24/1141011924.db2.gz NVKLJADDDKOWMR-PGRDOPGGSA-N 1 3 341.543 3.504 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000269009997 1141045164 /nfs/dbraw/zinc/04/51/64/1141045164.db2.gz NKCHOCMGAZRHRE-RXVVDRJESA-N 1 3 341.543 3.646 20 0 EHADHO C[NH+](C)Cc1cc(CN[C@@H]2CCc3c2c(F)ccc3F)ccc1F ZINC000269909783 1141156441 /nfs/dbraw/zinc/15/64/41/1141156441.db2.gz JDZFBHICXUGGGH-GOSISDBHSA-N 1 3 334.385 3.943 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000271497491 1141380869 /nfs/dbraw/zinc/38/08/69/1141380869.db2.gz LMMGGGVQONCNHJ-GDIGMMSISA-N 1 3 336.907 3.759 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000271560262 1141397503 /nfs/dbraw/zinc/39/75/03/1141397503.db2.gz WSRRCYJZTPOVFN-GDIGMMSISA-N 1 3 336.907 3.759 20 0 EHADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000271610368 1141405972 /nfs/dbraw/zinc/40/59/72/1141405972.db2.gz AKZAFRARYMHYRB-DLBZAZTESA-N 1 3 328.504 3.879 20 0 EHADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000271610368 1141405975 /nfs/dbraw/zinc/40/59/75/1141405975.db2.gz AKZAFRARYMHYRB-DLBZAZTESA-N 1 3 328.504 3.879 20 0 EHADHO Cc1cc(Cl)ccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477654 1032072279 /nfs/dbraw/zinc/07/22/79/1032072279.db2.gz ZBPSBYFOGBMIPR-QUCCMNQESA-N 1 3 342.870 3.994 20 0 EHADHO CN(C)CCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000317148734 1014243041 /nfs/dbraw/zinc/24/30/41/1014243041.db2.gz GBGYCDUJZIEQSU-UHFFFAOYSA-N 1 3 328.300 3.766 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000154247243 1015296318 /nfs/dbraw/zinc/29/63/18/1015296318.db2.gz BEGIEQNTZNCRBA-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000924651675 1032115443 /nfs/dbraw/zinc/11/54/43/1032115443.db2.gz ZWQRTYVRYVNVJL-IBGZPJMESA-N 1 3 329.532 3.613 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1cccc(Br)c1 ZINC000037229515 1015703601 /nfs/dbraw/zinc/70/36/01/1015703601.db2.gz KTUSKICMWRKNRJ-MRXNPFEDSA-N 1 3 325.294 3.976 20 0 EHADHO Fc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000449076374 1032164272 /nfs/dbraw/zinc/16/42/72/1032164272.db2.gz PEPJXRHLRGUYKA-ZDUSSCGKSA-N 1 3 331.460 3.523 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449089529 1032192610 /nfs/dbraw/zinc/19/26/10/1032192610.db2.gz KCTYJNOQFRDVQK-ABAIWWIYSA-N 1 3 341.268 3.507 20 0 EHADHO CC[C@H]1CN(CCCCn2ccnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000183752798 1032201325 /nfs/dbraw/zinc/20/13/25/1032201325.db2.gz BCQBXZXYXXERIC-NRFANRHFSA-N 1 3 340.515 3.568 20 0 EHADHO CC[C@H]1CN(CCCCn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000183752798 1032201335 /nfs/dbraw/zinc/20/13/35/1032201335.db2.gz BCQBXZXYXXERIC-NRFANRHFSA-N 1 3 340.515 3.568 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)[C@@H](C)O1 ZINC000449130453 1032222234 /nfs/dbraw/zinc/22/22/34/1032222234.db2.gz ZCGIAPFFTNYBRM-SPYBWZPUSA-N 1 3 336.907 3.708 20 0 EHADHO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccs1 ZINC000536846409 1032341488 /nfs/dbraw/zinc/34/14/88/1032341488.db2.gz PGPLKWNHOIWSON-RCCFBDPRSA-N 1 3 336.545 3.803 20 0 EHADHO Cc1cccc(CC[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536858377 1032356096 /nfs/dbraw/zinc/35/60/96/1032356096.db2.gz OWNUAFZPBXOTFX-AQNXPRMDSA-N 1 3 332.532 3.795 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000459743963 1032457333 /nfs/dbraw/zinc/45/73/33/1032457333.db2.gz XIQHDYUNPAYDSX-MRXNPFEDSA-N 1 3 327.447 3.709 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000459743963 1032457338 /nfs/dbraw/zinc/45/73/38/1032457338.db2.gz XIQHDYUNPAYDSX-MRXNPFEDSA-N 1 3 327.447 3.709 20 0 EHADHO CCCN1CCC([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 ZINC000537109702 1032524973 /nfs/dbraw/zinc/52/49/73/1032524973.db2.gz WYZPSNORSPZTEM-QFIPXVFZSA-N 1 3 343.559 3.533 20 0 EHADHO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000574100172 1032720259 /nfs/dbraw/zinc/72/02/59/1032720259.db2.gz NGLNZRFHPHABOA-BHYGNILZSA-N 1 3 332.488 3.937 20 0 EHADHO C[N@@H+]1CCCC[C@@H]1CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250507 /nfs/dbraw/zinc/25/05/07/1018250507.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 1 3 349.950 3.722 20 0 EHADHO C[N@H+]1CCCC[C@@H]1CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843570 1018250516 /nfs/dbraw/zinc/25/05/16/1018250516.db2.gz AFBIIYWLSXLDSA-HXUWFJFHSA-N 1 3 349.950 3.722 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3C)[C@H](C)C1 ZINC000122246148 1018308404 /nfs/dbraw/zinc/30/84/04/1018308404.db2.gz ONMYZAAVFMXRKJ-JRGCBEDISA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3C)[C@H](C)C1 ZINC000122246148 1018308414 /nfs/dbraw/zinc/30/84/14/1018308414.db2.gz ONMYZAAVFMXRKJ-JRGCBEDISA-N 1 3 330.516 3.709 20 0 EHADHO c1cncc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449540090 1032762131 /nfs/dbraw/zinc/76/21/31/1032762131.db2.gz XLEVCTAGAPFONS-PZJWPPBQSA-N 1 3 343.515 3.688 20 0 EHADHO c1cncc([C@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449540090 1032762137 /nfs/dbraw/zinc/76/21/37/1032762137.db2.gz XLEVCTAGAPFONS-PZJWPPBQSA-N 1 3 343.515 3.688 20 0 EHADHO OCc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639296733 1018756384 /nfs/dbraw/zinc/75/63/84/1018756384.db2.gz DICZVKRHUBLSFN-IRLDBZIGSA-N 1 3 336.479 3.637 20 0 EHADHO OCc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639296733 1018756401 /nfs/dbraw/zinc/75/64/01/1018756401.db2.gz DICZVKRHUBLSFN-IRLDBZIGSA-N 1 3 336.479 3.637 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000513678616 1019928330 /nfs/dbraw/zinc/92/83/30/1019928330.db2.gz PWGVSXIBMNIHTM-BPUTZDHNSA-N 1 3 342.405 3.547 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)s1 ZINC000501011981 1020645004 /nfs/dbraw/zinc/64/50/04/1020645004.db2.gz URXPTBGZPOIOSZ-OAHLLOKOSA-N 1 3 343.968 3.858 20 0 EHADHO CC[NH2+]CC1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000430578773 1020778956 /nfs/dbraw/zinc/77/89/56/1020778956.db2.gz XOKUAMJIEGCXCY-UHFFFAOYSA-N 1 3 331.287 3.694 20 0 EHADHO C[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276164352 1020789899 /nfs/dbraw/zinc/78/98/99/1020789899.db2.gz HJOSCQJUCADLQH-QLFBSQMISA-N 1 3 328.460 3.732 20 0 EHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593114 1020844181 /nfs/dbraw/zinc/84/41/81/1020844181.db2.gz DEYPBJZGGMAEFD-NQIIRXRSSA-N 1 3 338.495 3.852 20 0 EHADHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCc2c(Br)cccc21 ZINC000341199873 1021085371 /nfs/dbraw/zinc/08/53/71/1021085371.db2.gz YVFQNMQMNVHOKK-LRDDRELGSA-N 1 3 325.294 3.756 20 0 EHADHO CCC1(CNCc2ncc(C)n2C)CC[NH+](Cc2ccccc2)CC1 ZINC000341281694 1021291828 /nfs/dbraw/zinc/29/18/28/1021291828.db2.gz MHURFDDXBYFLFX-UHFFFAOYSA-N 1 3 340.515 3.511 20 0 EHADHO FC(F)(F)c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783860 1021337764 /nfs/dbraw/zinc/33/77/64/1021337764.db2.gz VMJZCAYGNCUJQB-CYBMUJFWSA-N 1 3 332.435 3.979 20 0 EHADHO CCN1CCC([N@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000506659016 1021673640 /nfs/dbraw/zinc/67/36/40/1021673640.db2.gz ASJWBWQLDRUGAS-UHFFFAOYSA-N 1 3 331.548 3.561 20 0 EHADHO CCN1CCC([N@@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000506659016 1021673648 /nfs/dbraw/zinc/67/36/48/1021673648.db2.gz ASJWBWQLDRUGAS-UHFFFAOYSA-N 1 3 331.548 3.561 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000519841144 1021719672 /nfs/dbraw/zinc/71/96/72/1021719672.db2.gz KWPNCBCTVWOLME-CEWLAPEOSA-N 1 3 330.516 3.836 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564941 1021952510 /nfs/dbraw/zinc/95/25/10/1021952510.db2.gz BEAZIWDIVBXWJB-HOCLYGCPSA-N 1 3 344.421 3.932 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564941 1021952525 /nfs/dbraw/zinc/95/25/25/1021952525.db2.gz BEAZIWDIVBXWJB-HOCLYGCPSA-N 1 3 344.421 3.932 20 0 EHADHO FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000425918404 1022203130 /nfs/dbraw/zinc/20/31/30/1022203130.db2.gz FAZHKFKSPAFMPO-CEXWTWQISA-N 1 3 334.454 3.922 20 0 EHADHO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156518953 1022498745 /nfs/dbraw/zinc/49/87/45/1022498745.db2.gz OAODXDQZPJBJGB-WQGACYEGSA-N 1 3 330.394 3.532 20 0 EHADHO CC1(C)CN(Cc2cnc[nH]2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836017 1022687645 /nfs/dbraw/zinc/68/76/45/1022687645.db2.gz IIMOLSDKZAONGT-HXUWFJFHSA-N 1 3 338.499 3.532 20 0 EHADHO C[C@H]1CN(CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430926716 1022888314 /nfs/dbraw/zinc/88/83/14/1022888314.db2.gz GXGNCKWURLUCGR-XJKSGUPXSA-N 1 3 330.394 3.534 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNc2ccnc3ccccc32)cc1 ZINC000518367301 1023252149 /nfs/dbraw/zinc/25/21/49/1023252149.db2.gz HJQYTAHEYGTYIV-UHFFFAOYSA-N 1 3 335.451 3.599 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000535811354 1023651911 /nfs/dbraw/zinc/65/19/11/1023651911.db2.gz JSYYMHTYBONMOZ-UHFFFAOYSA-N 1 3 326.488 3.629 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000535811354 1023651915 /nfs/dbraw/zinc/65/19/15/1023651915.db2.gz JSYYMHTYBONMOZ-UHFFFAOYSA-N 1 3 326.488 3.629 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414849673 1024263520 /nfs/dbraw/zinc/26/35/20/1024263520.db2.gz HNXUTWJPLYAYGM-SOLBZPMBSA-N 1 3 331.504 3.505 20 0 EHADHO C[NH+](C)C[C@@H]1CCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000113513322 1024322824 /nfs/dbraw/zinc/32/28/24/1024322824.db2.gz WCLNNWLXGQXFET-HNNXBMFYSA-N 1 3 344.421 3.748 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000443656912 1024358623 /nfs/dbraw/zinc/35/86/23/1024358623.db2.gz LXPSVIJMIGUHOM-DOTOQJQBSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000443656912 1024358640 /nfs/dbraw/zinc/35/86/40/1024358640.db2.gz LXPSVIJMIGUHOM-DOTOQJQBSA-N 1 3 326.406 3.930 20 0 EHADHO COC[C@H]1C[C@@H]([NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000895623966 1024670237 /nfs/dbraw/zinc/67/02/37/1024670237.db2.gz ZQDMZZWRDCPTCV-VWPQPMDRSA-N 1 3 344.543 3.939 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251121 1024904427 /nfs/dbraw/zinc/90/44/27/1024904427.db2.gz HTFZSIZQCMLGAB-AQOAWAETSA-N 1 3 348.494 3.619 20 0 EHADHO C[C@@H](CCCc1cccnc1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254108 1024944755 /nfs/dbraw/zinc/94/47/55/1024944755.db2.gz HXNCFYAPYJDVGH-ZLGUVYLKSA-N 1 3 341.474 3.667 20 0 EHADHO COCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(C)(C)C ZINC000511053932 1024975304 /nfs/dbraw/zinc/97/53/04/1024975304.db2.gz HRXGBUCHLYBLOX-NCYKPQTJSA-N 1 3 344.543 3.938 20 0 EHADHO C[C@@H]1CC(N2CCN(C3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040979 1025342678 /nfs/dbraw/zinc/34/26/78/1025342678.db2.gz PQESUGKGDMMEHG-RTBURBONSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@H]1CC([NH2+][C@H]2CCCC[C@@H]2N(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168014136 1025366617 /nfs/dbraw/zinc/36/66/17/1025366617.db2.gz KJBLCQIWYZPZSA-GPHNJDIKSA-N 1 3 343.559 3.890 20 0 EHADHO Cc1c(Br)cncc1C[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000657362834 1025495585 /nfs/dbraw/zinc/49/55/85/1025495585.db2.gz AJDMWXKIOBIBCG-OAHLLOKOSA-N 1 3 342.325 3.609 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880980 1025560182 /nfs/dbraw/zinc/56/01/82/1025560182.db2.gz YNFAONVZWKLLGH-RBUKOAKNSA-N 1 3 349.950 3.592 20 0 EHADHO CCCN(Cc1cccc(OCC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347233676 1025704447 /nfs/dbraw/zinc/70/44/47/1025704447.db2.gz ZJLMYGUOXGWOEO-UHFFFAOYSA-N 1 3 330.394 3.592 20 0 EHADHO CCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CCNCC1 ZINC000347233676 1025704460 /nfs/dbraw/zinc/70/44/60/1025704460.db2.gz ZJLMYGUOXGWOEO-UHFFFAOYSA-N 1 3 330.394 3.592 20 0 EHADHO CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1CCNCC1 ZINC000347233676 1025704475 /nfs/dbraw/zinc/70/44/75/1025704475.db2.gz ZJLMYGUOXGWOEO-UHFFFAOYSA-N 1 3 330.394 3.592 20 0 EHADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000324500292 1025923015 /nfs/dbraw/zinc/92/30/15/1025923015.db2.gz QVQCUSZMGBXPJZ-FUHWJXTLSA-N 1 3 334.504 3.867 20 0 EHADHO C[C@H]1CC(N(C)CCc2ccncc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055966 1026113401 /nfs/dbraw/zinc/11/34/01/1026113401.db2.gz ZGHXZGISNXQGES-OALUTQOASA-N 1 3 337.511 3.998 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@@H](C)O1 ZINC000530701400 1026229758 /nfs/dbraw/zinc/22/97/58/1026229758.db2.gz VJZXATAZSYGIJN-ZNIXBBRXSA-N 1 3 342.527 3.911 20 0 EHADHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000379277104 1026347735 /nfs/dbraw/zinc/34/77/35/1026347735.db2.gz PCWIGQKWYDFMNW-YUXAGFNASA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277104 1026347745 /nfs/dbraw/zinc/34/77/45/1026347745.db2.gz PCWIGQKWYDFMNW-YUXAGFNASA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000379277104 1026347754 /nfs/dbraw/zinc/34/77/54/1026347754.db2.gz PCWIGQKWYDFMNW-YUXAGFNASA-N 1 3 338.495 3.874 20 0 EHADHO c1c2ccncc2sc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452256 1026513422 /nfs/dbraw/zinc/51/34/22/1026513422.db2.gz CTMUEEPGNTYMBO-KRWDZBQOSA-N 1 3 337.492 3.908 20 0 EHADHO c1c2ccncc2sc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452256 1026513427 /nfs/dbraw/zinc/51/34/27/1026513427.db2.gz CTMUEEPGNTYMBO-KRWDZBQOSA-N 1 3 337.492 3.908 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc(C(C)(C)C)nc2)C1 ZINC000342725689 1026861640 /nfs/dbraw/zinc/86/16/40/1026861640.db2.gz IEVBLNYTYPYNMB-IAGOWNOFSA-N 1 3 332.536 3.622 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000305790975 1026984668 /nfs/dbraw/zinc/98/46/68/1026984668.db2.gz UBEHEZDIJMVPQR-PCCBWWKXSA-N 1 3 346.490 3.561 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000305790977 1026985009 /nfs/dbraw/zinc/98/50/09/1026985009.db2.gz UBEHEZDIJMVPQR-QHAWAJNXSA-N 1 3 346.490 3.561 20 0 EHADHO Clc1cccc([C@@H](NCCC2CC[NH2+]CC2)c2ccccn2)c1 ZINC000420377578 1027496938 /nfs/dbraw/zinc/49/69/38/1027496938.db2.gz SOSKZLODHZQPCF-LJQANCHMSA-N 1 3 329.875 3.804 20 0 EHADHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC1CCCC1 ZINC000422715679 1027885305 /nfs/dbraw/zinc/88/53/05/1027885305.db2.gz SOTFXSKHYLTSNM-WMZOPIPTSA-N 1 3 332.488 3.624 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000422741519 1027908502 /nfs/dbraw/zinc/90/85/02/1027908502.db2.gz OQOAPDPPGFHLOZ-USXUVBGUSA-N 1 3 343.334 3.947 20 0 EHADHO Cc1cc(C)c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422786895 1027939236 /nfs/dbraw/zinc/93/92/36/1027939236.db2.gz TVJCDJCIMQYHTG-UNMCSNQZSA-N 1 3 336.479 3.957 20 0 EHADHO Cc1nc(-c2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cs1 ZINC000422798573 1027951446 /nfs/dbraw/zinc/95/14/46/1027951446.db2.gz RVKZENHBBQECEB-PBWFPOADSA-N 1 3 333.526 3.595 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)N2CCCC2)cc1 ZINC000422832767 1027974806 /nfs/dbraw/zinc/97/48/06/1027974806.db2.gz VOTWHGLVLDUEAT-VSKRKVRLSA-N 1 3 335.495 3.866 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccsc1 ZINC000422859437 1027997701 /nfs/dbraw/zinc/99/77/01/1027997701.db2.gz KAYQJLPKDNOELS-AUUYWEPGSA-N 1 3 346.544 3.644 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255785 1028030467 /nfs/dbraw/zinc/03/04/67/1028030467.db2.gz NTCYFPVZKCYAPA-WIYYLYMNSA-N 1 3 328.500 3.706 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000502255785 1028030484 /nfs/dbraw/zinc/03/04/84/1028030484.db2.gz NTCYFPVZKCYAPA-WIYYLYMNSA-N 1 3 328.500 3.706 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000422904211 1028038329 /nfs/dbraw/zinc/03/83/29/1028038329.db2.gz PXEFZAOMJFRFHN-CRAIPNDOSA-N 1 3 329.419 3.620 20 0 EHADHO COc1ccccc1Oc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422905103 1028039501 /nfs/dbraw/zinc/03/95/01/1028039501.db2.gz HSCLFZAQDOTFIR-AEFFLSMTSA-N 1 3 326.440 3.705 20 0 EHADHO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422929810 1028057263 /nfs/dbraw/zinc/05/72/63/1028057263.db2.gz ACXYUMMAYXBMCJ-INIZCTEOSA-N 1 3 327.472 3.585 20 0 EHADHO Cn1cc(-c2cccc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)cn1 ZINC000422968594 1028083805 /nfs/dbraw/zinc/08/38/05/1028083805.db2.gz XGJPEGUWOUYZIC-FCHUYYIVSA-N 1 3 346.478 3.670 20 0 EHADHO FC(F)(F)c1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422955381 1028093782 /nfs/dbraw/zinc/09/37/82/1028093782.db2.gz JDGDSRXWSRUFSP-NUEKZKHPSA-N 1 3 342.405 3.595 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)c2ccccc21 ZINC000423012569 1028125439 /nfs/dbraw/zinc/12/54/39/1028125439.db2.gz KZMAJMYQIOBLSP-NIKGAXFTSA-N 1 3 325.431 3.529 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024202 1028134300 /nfs/dbraw/zinc/13/43/00/1028134300.db2.gz LHOYZSSTIGVUTP-CYBMUJFWSA-N 1 3 329.875 3.885 20 0 EHADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423026556 1028137011 /nfs/dbraw/zinc/13/70/11/1028137011.db2.gz QGJQUIPIKDQVEL-LNRXMEIDSA-N 1 3 342.527 3.934 20 0 EHADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000657689276 1028147170 /nfs/dbraw/zinc/14/71/70/1028147170.db2.gz LKTDJSGJCJIWQW-NQIIRXRSSA-N 1 3 344.547 3.518 20 0 EHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000423074327 1028163806 /nfs/dbraw/zinc/16/38/06/1028163806.db2.gz UOVHEDFMIRCDIP-XYPWUTKMSA-N 1 3 326.406 3.856 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079858 1028170025 /nfs/dbraw/zinc/17/00/25/1028170025.db2.gz RGOPFFCGXAPZQR-YGRLFVJLSA-N 1 3 326.271 3.734 20 0 EHADHO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423087203 1028174171 /nfs/dbraw/zinc/17/41/71/1028174171.db2.gz PAOWOWMWWLROHP-LPHOPBHVSA-N 1 3 341.499 3.537 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000423093523 1028177221 /nfs/dbraw/zinc/17/72/21/1028177221.db2.gz HWMKHFYLAAYNPP-NSISKUIASA-N 1 3 333.520 3.873 20 0 EHADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C(F)(F)F)n1 ZINC000423134518 1028219557 /nfs/dbraw/zinc/21/95/57/1028219557.db2.gz MIWHPUGOSKVKMR-UKRRQHHQSA-N 1 3 329.410 3.543 20 0 EHADHO CC1CCN([C@H](C[NH2+]C2CCN(C3CC3)CC2)c2ccccc2)CC1 ZINC000459371925 1028322152 /nfs/dbraw/zinc/32/21/52/1028322152.db2.gz KQLIPPMHKMKANC-JOCHJYFZSA-N 1 3 341.543 3.676 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322284 1028348693 /nfs/dbraw/zinc/34/86/93/1028348693.db2.gz GKJJEZQPXNRLNL-ONGXBYRLSA-N 1 3 342.458 3.501 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423362057 1028390234 /nfs/dbraw/zinc/39/02/34/1028390234.db2.gz ASZNGOUXZGPEON-WNOSKKOXSA-N 1 3 326.406 3.929 20 0 EHADHO Cc1c(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000729682912 1028449104 /nfs/dbraw/zinc/44/91/04/1028449104.db2.gz SEGWKXCVJKYLAI-INIZCTEOSA-N 1 3 346.544 3.827 20 0 EHADHO C[C@@H]([NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@H](C)N ZINC000423466235 1028453665 /nfs/dbraw/zinc/45/36/65/1028453665.db2.gz NDFLVGFWCNSUBO-WMFXKJRFSA-N 1 3 336.277 3.633 20 0 EHADHO C[NH+]1CCC(NC/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459379986 1028475165 /nfs/dbraw/zinc/47/51/65/1028475165.db2.gz PVFVOGNZUNQAFZ-VMPITWQZSA-N 1 3 336.479 3.963 20 0 EHADHO COc1ncc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423520180 1028495107 /nfs/dbraw/zinc/49/51/07/1028495107.db2.gz QZGXSQKSURJEHC-DYVFJYSZSA-N 1 3 333.863 3.874 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000246439813 1028506927 /nfs/dbraw/zinc/50/69/27/1028506927.db2.gz OMPKOJLLZSOGOR-YPAWHYETSA-N 1 3 342.527 3.730 20 0 EHADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423564698 1028516028 /nfs/dbraw/zinc/51/60/28/1028516028.db2.gz SAPUZNGPLWBEHV-NSHDSACASA-N 1 3 327.241 3.549 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)s1 ZINC000246594332 1028666614 /nfs/dbraw/zinc/66/66/14/1028666614.db2.gz ZQFUPPMOYVYNBU-GDIGMMSISA-N 1 3 336.545 3.783 20 0 EHADHO Fc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778886 1028898726 /nfs/dbraw/zinc/89/87/26/1028898726.db2.gz JMRMJXJHOHNNHX-ZIAGYGMSSA-N 1 3 330.369 3.666 20 0 EHADHO c1sc(-c2ccccc2)nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787617 1029060103 /nfs/dbraw/zinc/06/01/03/1029060103.db2.gz VPUCFHJQSOHAOP-IRXDYDNUSA-N 1 3 327.497 3.632 20 0 EHADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414804455 1029219521 /nfs/dbraw/zinc/21/95/21/1029219521.db2.gz FBJYZKXWCWXRKD-GFCCVEGCSA-N 1 3 345.409 3.530 20 0 EHADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414804456 1029219713 /nfs/dbraw/zinc/21/97/13/1029219713.db2.gz FBJYZKXWCWXRKD-LBPRGKRZSA-N 1 3 345.409 3.530 20 0 EHADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000154544415 1029221027 /nfs/dbraw/zinc/22/10/27/1029221027.db2.gz JVDFMWWAVQTVGY-HXUWFJFHSA-N 1 3 345.531 3.585 20 0 EHADHO CCCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000154544415 1029221040 /nfs/dbraw/zinc/22/10/40/1029221040.db2.gz JVDFMWWAVQTVGY-HXUWFJFHSA-N 1 3 345.531 3.585 20 0 EHADHO Cc1noc(C)c1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245788655 1029300141 /nfs/dbraw/zinc/30/01/41/1029300141.db2.gz ZWQMIHPEUNCSEF-OWZKRDHZSA-N 1 3 339.483 3.619 20 0 EHADHO Cc1noc(C)c1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788655 1029300151 /nfs/dbraw/zinc/30/01/51/1029300151.db2.gz ZWQMIHPEUNCSEF-OWZKRDHZSA-N 1 3 339.483 3.619 20 0 EHADHO Cc1cc(N2CCN(C3CCC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524842768 1029555308 /nfs/dbraw/zinc/55/53/08/1029555308.db2.gz RBNABZMQBAWIJR-UHFFFAOYSA-N 1 3 347.409 3.819 20 0 EHADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@H]3CCSC3)C3(CCC3)C2)cc1 ZINC000657771273 1030154959 /nfs/dbraw/zinc/15/49/59/1030154959.db2.gz ADPDSXZOVGEWDD-RTBURBONSA-N 1 3 330.541 3.631 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000531967154 1030157373 /nfs/dbraw/zinc/15/73/73/1030157373.db2.gz APJISGKMIKTBBG-FGSXEWAUSA-N 1 3 344.543 3.963 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000531967154 1030157389 /nfs/dbraw/zinc/15/73/89/1030157389.db2.gz APJISGKMIKTBBG-FGSXEWAUSA-N 1 3 344.543 3.963 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(Cl)ccc1Cl ZINC000128642536 1030232991 /nfs/dbraw/zinc/23/29/91/1030232991.db2.gz JMUWNACXDDHHKC-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(Cl)ccc1Cl ZINC000128642536 1030233009 /nfs/dbraw/zinc/23/30/09/1030233009.db2.gz JMUWNACXDDHHKC-AWEZNQCLSA-N 1 3 344.330 3.672 20 0 EHADHO FC1(F)CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000453422660 1030272326 /nfs/dbraw/zinc/27/23/26/1030272326.db2.gz MZLAGKJCHFCYPV-CEXWTWQISA-N 1 3 334.454 3.922 20 0 EHADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482461427 1030447278 /nfs/dbraw/zinc/44/72/78/1030447278.db2.gz RUEWVTNANIWAAW-PGRDOPGGSA-N 1 3 338.470 3.967 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000532193257 1030468055 /nfs/dbraw/zinc/46/80/55/1030468055.db2.gz ZGFILASENDKSOD-MJGOQNOKSA-N 1 3 348.531 3.940 20 0 EHADHO c1ccc2c(c1)C=C(CNCc1cccc(C[NH+]3CCCC3)c1)CO2 ZINC000171049504 1030546845 /nfs/dbraw/zinc/54/68/45/1030546845.db2.gz NAKBONKDRZZLSU-UHFFFAOYSA-N 1 3 334.463 3.848 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000093688756 1030661594 /nfs/dbraw/zinc/66/15/94/1030661594.db2.gz LYGLFRVBAJRKMC-UHFFFAOYSA-N 1 3 344.478 3.565 20 0 EHADHO CCN(CC)c1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688301 1030662200 /nfs/dbraw/zinc/66/22/00/1030662200.db2.gz ZOWVRJGBPDNBFC-UHFFFAOYSA-N 1 3 338.565 3.543 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515525 1031199884 /nfs/dbraw/zinc/19/98/84/1031199884.db2.gz QETNXAXLKGZROJ-FDDCHVKYSA-N 1 3 349.522 3.772 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)CCN1Cc1ccccc1 ZINC000527810941 1031248056 /nfs/dbraw/zinc/24/80/56/1031248056.db2.gz QCNIJIYTMORAJS-SYYKKAFVSA-N 1 3 341.543 3.646 20 0 EHADHO CCCn1c2ccccc2nc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657811852 1031304169 /nfs/dbraw/zinc/30/41/69/1031304169.db2.gz IPVORPACFGTUDX-UHFFFAOYSA-N 1 3 340.515 3.658 20 0 EHADHO C[C@@H]1C[C@@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100041 1031329222 /nfs/dbraw/zinc/32/92/22/1031329222.db2.gz FPJSMAIGZRVKGN-CJNGLKHVSA-N 1 3 342.405 3.523 20 0 EHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993771 1031402830 /nfs/dbraw/zinc/40/28/30/1031402830.db2.gz IDMXBCUDWMHIGY-XJKSGUPXSA-N 1 3 337.305 3.644 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(SC2CCCC2)cc1 ZINC000484167774 1031481939 /nfs/dbraw/zinc/48/19/39/1031481939.db2.gz BQSFWUYKDZVCDB-MRXNPFEDSA-N 1 3 348.556 3.829 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376657 1032007706 /nfs/dbraw/zinc/00/77/06/1032007706.db2.gz WNUXHRUUUFODDM-XOKHGSTOSA-N 1 3 342.405 3.624 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658140628 1034005104 /nfs/dbraw/zinc/00/51/04/1034005104.db2.gz VOKKLYINXXYCDO-RTBURBONSA-N 1 3 330.497 3.556 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1 ZINC000658140628 1034005119 /nfs/dbraw/zinc/00/51/19/1034005119.db2.gz VOKKLYINXXYCDO-RTBURBONSA-N 1 3 330.497 3.556 20 0 EHADHO c1cc(CN2CCC(C[NH2+]C(C3CCC3)C3CCC3)CC2)ccn1 ZINC000658168440 1034035529 /nfs/dbraw/zinc/03/55/29/1034035529.db2.gz XEUBVYHUIYHDJI-UHFFFAOYSA-N 1 3 327.516 3.852 20 0 EHADHO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N1CCCCC1 ZINC000456273682 1034273450 /nfs/dbraw/zinc/27/34/50/1034273450.db2.gz MFJSZDWGPUVHLY-PMACEKPBSA-N 1 3 343.515 3.685 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140071 1035012199 /nfs/dbraw/zinc/01/21/99/1035012199.db2.gz HOPNEPUYLCIBPU-GXTWGEPZSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)C[C@@H]1C ZINC000531140071 1035012203 /nfs/dbraw/zinc/01/22/03/1035012203.db2.gz HOPNEPUYLCIBPU-GXTWGEPZSA-N 1 3 343.284 3.893 20 0 EHADHO COc1ccccc1OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613421735 1035829995 /nfs/dbraw/zinc/82/99/95/1035829995.db2.gz GEICTOQVEMWUPU-UHFFFAOYSA-N 1 3 346.515 3.662 20 0 EHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccnc(Cl)c1 ZINC000165186242 1036295305 /nfs/dbraw/zinc/29/53/05/1036295305.db2.gz MLNZGLNTKUYQEO-HNNXBMFYSA-N 1 3 347.890 3.916 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000191501898 1036398428 /nfs/dbraw/zinc/39/84/28/1036398428.db2.gz JPWCYCKZXXTLBV-LJQANCHMSA-N 1 3 333.520 3.613 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000191501898 1036398444 /nfs/dbraw/zinc/39/84/44/1036398444.db2.gz JPWCYCKZXXTLBV-LJQANCHMSA-N 1 3 333.520 3.613 20 0 EHADHO CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000398017858 1036487584 /nfs/dbraw/zinc/48/75/84/1036487584.db2.gz IIMLWVUPDSMPQV-BVYCBKJFSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000398017858 1036487591 /nfs/dbraw/zinc/48/75/91/1036487591.db2.gz IIMLWVUPDSMPQV-BVYCBKJFSA-N 1 3 338.495 3.874 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C(C)(C)O1 ZINC000311042347 1036947894 /nfs/dbraw/zinc/94/78/94/1036947894.db2.gz FFSBSCVOFYGFHT-HAGHYFMRSA-N 1 3 342.527 3.833 20 0 EHADHO C[NH+](C)CC1CCN(CCCc2ccccc2Br)CC1 ZINC000542209574 1037181557 /nfs/dbraw/zinc/18/15/57/1037181557.db2.gz SQJJFTCIDADTGI-UHFFFAOYSA-N 1 3 339.321 3.655 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818205 1037240203 /nfs/dbraw/zinc/24/02/03/1037240203.db2.gz KENDIMXCZFLEAY-DZGCQCFKSA-N 1 3 330.394 3.747 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000539818205 1037240209 /nfs/dbraw/zinc/24/02/09/1037240209.db2.gz KENDIMXCZFLEAY-DZGCQCFKSA-N 1 3 330.394 3.747 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461383 1037349329 /nfs/dbraw/zinc/34/93/29/1037349329.db2.gz MTQNVQQRCQVSBN-SMOSDQRPSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461383 1037349344 /nfs/dbraw/zinc/34/93/44/1037349344.db2.gz MTQNVQQRCQVSBN-SMOSDQRPSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461383 1037349355 /nfs/dbraw/zinc/34/93/55/1037349355.db2.gz MTQNVQQRCQVSBN-SMOSDQRPSA-N 1 3 349.950 3.795 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505377 1037534075 /nfs/dbraw/zinc/53/40/75/1037534075.db2.gz HAEDRWSLPJXDFU-ZIAGYGMSSA-N 1 3 330.925 3.535 20 0 EHADHO Cc1ccccc1OCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463065774 1037730484 /nfs/dbraw/zinc/73/04/84/1037730484.db2.gz VNAROCNUJPPTGC-UHFFFAOYSA-N 1 3 338.495 3.671 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCCCC2)CCN1Cc1ccccc1 ZINC000463140168 1037805077 /nfs/dbraw/zinc/80/50/77/1037805077.db2.gz VFBWHSBTMAHHDZ-FPOVZHCZSA-N 1 3 329.532 3.505 20 0 EHADHO Fc1cccc([C@H](NC2CC[NH+](CC3CC3)CC2)C2CCOCC2)c1 ZINC001168359957 1038638524 /nfs/dbraw/zinc/63/85/24/1038638524.db2.gz JHJIVMKLMNJLSS-OAQYLSRUSA-N 1 3 346.490 3.757 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000539070325 1038670439 /nfs/dbraw/zinc/67/04/39/1038670439.db2.gz JWAJZFXRJYAWRF-KURKYZTESA-N 1 3 330.516 3.715 20 0 EHADHO Cc1nc(C)c(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898518984 1039190309 /nfs/dbraw/zinc/19/03/09/1039190309.db2.gz LRMFSLOWTDCWHJ-HSALFYBXSA-N 1 3 339.483 3.682 20 0 EHADHO Cc1nc(C)c(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898518984 1039190317 /nfs/dbraw/zinc/19/03/17/1039190317.db2.gz LRMFSLOWTDCWHJ-HSALFYBXSA-N 1 3 339.483 3.682 20 0 EHADHO CCCOc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488449760 1039196473 /nfs/dbraw/zinc/19/64/73/1039196473.db2.gz IJSWPZSKWAQXDO-UHFFFAOYSA-N 1 3 346.515 3.662 20 0 EHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3ccco3)CC2)c1 ZINC000480226435 1039325131 /nfs/dbraw/zinc/32/51/31/1039325131.db2.gz LSJHGVPPIRAODS-LJQANCHMSA-N 1 3 341.499 3.841 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000660151866 1039386933 /nfs/dbraw/zinc/38/69/33/1039386933.db2.gz XIPMNZKACUMHQI-IBGZPJMESA-N 1 3 335.580 3.693 20 0 EHADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCCC1 ZINC000554714291 1039623134 /nfs/dbraw/zinc/62/31/34/1039623134.db2.gz UNFNYXFIGVJOEZ-ZDUSSCGKSA-N 1 3 343.284 3.595 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000480750653 1039972243 /nfs/dbraw/zinc/97/22/43/1039972243.db2.gz SSWIPJQUCJBCAO-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000480750653 1039972252 /nfs/dbraw/zinc/97/22/52/1039972252.db2.gz SSWIPJQUCJBCAO-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000660275934 1040219766 /nfs/dbraw/zinc/21/97/66/1040219766.db2.gz IJTXGUVGZZWBTK-IBGZPJMESA-N 1 3 335.580 3.552 20 0 EHADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000166539813 1040331944 /nfs/dbraw/zinc/33/19/44/1040331944.db2.gz NFVBGEWIRUNUIL-CYBMUJFWSA-N 1 3 348.288 3.558 20 0 EHADHO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000479519910 1040339107 /nfs/dbraw/zinc/33/91/07/1040339107.db2.gz XGUZZMYUDQEQAU-MXEMCNAFSA-N 1 3 344.543 3.674 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001167752539 1040850392 /nfs/dbraw/zinc/85/03/92/1040850392.db2.gz VXIZRTDJDAOBMB-HKUYNNGSSA-N 1 3 330.520 3.915 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001167752539 1040850400 /nfs/dbraw/zinc/85/04/00/1040850400.db2.gz VXIZRTDJDAOBMB-HKUYNNGSSA-N 1 3 330.520 3.915 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924858515 1041069066 /nfs/dbraw/zinc/06/90/66/1041069066.db2.gz ZJCWWHDMWWLSPW-FPOVZHCZSA-N 1 3 334.548 3.826 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000194853874 1041337825 /nfs/dbraw/zinc/33/78/25/1041337825.db2.gz OFVLQKOLTLQYHA-QGZVFWFLSA-N 1 3 342.483 3.964 20 0 EHADHO Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299137 1042665559 /nfs/dbraw/zinc/66/55/59/1042665559.db2.gz ZYFYHFIMVHEYBX-IBGZPJMESA-N 1 3 339.483 3.862 20 0 EHADHO CC(C)c1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000663317528 1042674689 /nfs/dbraw/zinc/67/46/89/1042674689.db2.gz DLHXERKQYCHZGY-SFTDATJTSA-N 1 3 330.516 3.668 20 0 EHADHO CCn1c2cccc(F)c2nc1CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316758 1042681267 /nfs/dbraw/zinc/68/12/67/1042681267.db2.gz NCUMPOANCCFXTF-GDBMZVCRSA-N 1 3 332.467 3.535 20 0 EHADHO C[C@@H]1CCCN(Cc2cccc(F)c2OC(F)F)[C@@H]1CCC[NH3+] ZINC000662317662 1042683158 /nfs/dbraw/zinc/68/31/58/1042683158.db2.gz YYXNEAZVDOPGIV-IUODEOHRSA-N 1 3 330.394 3.767 20 0 EHADHO Cc1cc(C)c(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000303109937 1042913219 /nfs/dbraw/zinc/91/32/19/1042913219.db2.gz BHNLABREYPPFOA-PMACEKPBSA-N 1 3 344.543 3.933 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000643458767 1042937909 /nfs/dbraw/zinc/93/79/09/1042937909.db2.gz YUFWXHMUDAGIFN-XNDJQWLSSA-N 1 3 332.332 3.613 20 0 EHADHO Cc1cc2c(cc1C)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432414709 1043130819 /nfs/dbraw/zinc/13/08/19/1043130819.db2.gz AMNAMTYRGDDUKD-HKUYNNGSSA-N 1 3 348.556 3.931 20 0 EHADHO Cc1cc2c(cc1C)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432414709 1043130823 /nfs/dbraw/zinc/13/08/23/1043130823.db2.gz AMNAMTYRGDDUKD-HKUYNNGSSA-N 1 3 348.556 3.931 20 0 EHADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420558 1043148351 /nfs/dbraw/zinc/14/83/51/1043148351.db2.gz KZVYEWMVJKECOI-DNVCBOLYSA-N 1 3 340.458 3.752 20 0 EHADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420558 1043148356 /nfs/dbraw/zinc/14/83/56/1043148356.db2.gz KZVYEWMVJKECOI-DNVCBOLYSA-N 1 3 340.458 3.752 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000279905107 1044839582 /nfs/dbraw/zinc/83/95/82/1044839582.db2.gz LNHWXKDMRZWBHJ-YESZJQIVSA-N 1 3 334.504 3.517 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477670 1126968283 /nfs/dbraw/zinc/96/82/83/1126968283.db2.gz OMLLRWSZWYJLKG-KBPBESRZSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623477670 1126968286 /nfs/dbraw/zinc/96/82/86/1126968286.db2.gz OMLLRWSZWYJLKG-KBPBESRZSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757074 1127115699 /nfs/dbraw/zinc/11/56/99/1127115699.db2.gz NRQIAICQVMWOFV-CABCVRRESA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1(C)C ZINC000623757074 1127115702 /nfs/dbraw/zinc/11/57/02/1127115702.db2.gz NRQIAICQVMWOFV-CABCVRRESA-N 1 3 339.886 3.520 20 0 EHADHO CC[N@@H+](Cc1cccc2nccn21)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000180582035 1127174650 /nfs/dbraw/zinc/17/46/50/1127174650.db2.gz CGOPOXJGGWNJHL-HXUWFJFHSA-N 1 3 348.494 3.678 20 0 EHADHO CC[N@H+](Cc1cccc2nccn21)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000180582035 1127174651 /nfs/dbraw/zinc/17/46/51/1127174651.db2.gz CGOPOXJGGWNJHL-HXUWFJFHSA-N 1 3 348.494 3.678 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2C)C1 ZINC000623866941 1127206531 /nfs/dbraw/zinc/20/65/31/1127206531.db2.gz KICVBEINMNVQHI-ZIAGYGMSSA-N 1 3 325.294 3.750 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121376 1127257030 /nfs/dbraw/zinc/25/70/30/1127257030.db2.gz UXGZBUFBLBRTHV-DLBZAZTESA-N 1 3 346.519 3.599 20 0 EHADHO CN(CCCC(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181933620 1127304085 /nfs/dbraw/zinc/30/40/85/1127304085.db2.gz RWQCVWFYTAGNRR-LJQANCHMSA-N 1 3 346.515 3.562 20 0 EHADHO CN(CCCC(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181933620 1127304087 /nfs/dbraw/zinc/30/40/87/1127304087.db2.gz RWQCVWFYTAGNRR-LJQANCHMSA-N 1 3 346.515 3.562 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322955 1127371870 /nfs/dbraw/zinc/37/18/70/1127371870.db2.gz JVFZSBJMIPDOOB-PBFPGSCMSA-N 1 3 345.314 3.828 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322955 1127371874 /nfs/dbraw/zinc/37/18/74/1127371874.db2.gz JVFZSBJMIPDOOB-PBFPGSCMSA-N 1 3 345.314 3.828 20 0 EHADHO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000386610206 1127705357 /nfs/dbraw/zinc/70/53/57/1127705357.db2.gz MMHRRIPVEQKYTO-QFBILLFUSA-N 1 3 342.458 3.835 20 0 EHADHO CCCN1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288269 1127785309 /nfs/dbraw/zinc/78/53/09/1127785309.db2.gz FMEAXQCAIGHFKP-KRWDZBQOSA-N 1 3 345.314 3.881 20 0 EHADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000044277631 1127933333 /nfs/dbraw/zinc/93/33/33/1127933333.db2.gz PHAALOYFPMARRB-UHFFFAOYSA-N 1 3 346.519 3.524 20 0 EHADHO CCC[NH+]1CCC(NCCc2cc(Br)ccc2F)CC1 ZINC000155364275 1128005570 /nfs/dbraw/zinc/00/55/70/1128005570.db2.gz QIZPNSZDJNDIKK-UHFFFAOYSA-N 1 3 343.284 3.595 20 0 EHADHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000623657811 1128452516 /nfs/dbraw/zinc/45/25/16/1128452516.db2.gz ZNCSPPPMGWWNNA-QGZVFWFLSA-N 1 3 349.950 3.626 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166416975 1128461568 /nfs/dbraw/zinc/46/15/68/1128461568.db2.gz ZFXVLSILPGPSSK-JKSUJKDBSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166416975 1128461569 /nfs/dbraw/zinc/46/15/69/1128461569.db2.gz ZFXVLSILPGPSSK-JKSUJKDBSA-N 1 3 334.454 3.993 20 0 EHADHO Cc1ccc([C@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000191505179 1120676444 /nfs/dbraw/zinc/67/64/44/1120676444.db2.gz KREDGSYYMVFHIB-HXUWFJFHSA-N 1 3 347.547 3.921 20 0 EHADHO Cc1ccc([C@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000191505179 1120676447 /nfs/dbraw/zinc/67/64/47/1120676447.db2.gz KREDGSYYMVFHIB-HXUWFJFHSA-N 1 3 347.547 3.921 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000191565473 1120678660 /nfs/dbraw/zinc/67/86/60/1120678660.db2.gz VULXPXYBARUDOD-HXUWFJFHSA-N 1 3 331.548 3.780 20 0 EHADHO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750458 1120747122 /nfs/dbraw/zinc/74/71/22/1120747122.db2.gz CQBPPCMWSIPBMU-AZUAARDMSA-N 1 3 347.547 3.777 20 0 EHADHO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000192750458 1120747126 /nfs/dbraw/zinc/74/71/26/1120747126.db2.gz CQBPPCMWSIPBMU-AZUAARDMSA-N 1 3 347.547 3.777 20 0 EHADHO C[C@](CO)(CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000477863964 1128987147 /nfs/dbraw/zinc/98/71/47/1128987147.db2.gz PHBYKNMLHISDNJ-JOCHJYFZSA-N 1 3 344.543 3.614 20 0 EHADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000126537144 1122411471 /nfs/dbraw/zinc/41/14/71/1122411471.db2.gz QICYJCBLBVYYPV-KSSFIOAISA-N 1 3 334.891 3.936 20 0 EHADHO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556870128 1123160311 /nfs/dbraw/zinc/16/03/11/1123160311.db2.gz DAPNDGQFYSILFQ-PSWRPDDJSA-N 1 3 344.543 3.675 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134182071 1123498496 /nfs/dbraw/zinc/49/84/96/1123498496.db2.gz FRHUKTMXMRFQAA-UHFFFAOYSA-N 1 3 338.499 3.693 20 0 EHADHO c1ccc(CC2CC[NH+](CCCCNCc3ccccn3)CC2)cc1 ZINC000068986187 1124082230 /nfs/dbraw/zinc/08/22/30/1124082230.db2.gz RILLICYWHPZUJA-UHFFFAOYSA-N 1 3 337.511 3.906 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000247231367 1124597080 /nfs/dbraw/zinc/59/70/80/1124597080.db2.gz YHXYRKQSCFMXMG-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000247231367 1124597086 /nfs/dbraw/zinc/59/70/86/1124597086.db2.gz YHXYRKQSCFMXMG-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H](Cc2cccc(OC)c2)c2ccccc2)C1 ZINC000247231367 1124597094 /nfs/dbraw/zinc/59/70/94/1124597094.db2.gz YHXYRKQSCFMXMG-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C3CCC3)C1)C2 ZINC000248967491 1124723044 /nfs/dbraw/zinc/72/30/44/1124723044.db2.gz CSPWIBMKOPMRNT-NEWSRXKRSA-N 1 3 342.527 3.795 20 0 EHADHO Cc1ccc(-c2cnc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000649418262 1124736686 /nfs/dbraw/zinc/73/66/86/1124736686.db2.gz QTTGCLLNPWQFOB-RTBURBONSA-N 1 3 339.483 3.862 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182527739 1125325646 /nfs/dbraw/zinc/32/56/46/1125325646.db2.gz QFYXOQAEKMAXNK-ROUUACIJSA-N 1 3 346.515 3.758 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182527775 1125325833 /nfs/dbraw/zinc/32/58/33/1125325833.db2.gz QFYXOQAEKMAXNK-ZWKOTPCHSA-N 1 3 346.515 3.758 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1OC ZINC000183115080 1125446757 /nfs/dbraw/zinc/44/67/57/1125446757.db2.gz VMYKBCMHWLAUPX-ZWOKBUDYSA-N 1 3 348.531 3.739 20 0 EHADHO C[C@@H](Cc1cccs1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164794 1130222607 /nfs/dbraw/zinc/22/26/07/1130222607.db2.gz FNJCZTZZTQVVEW-INIZCTEOSA-N 1 3 329.513 3.576 20 0 EHADHO CC(C)[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000658168558 1130226451 /nfs/dbraw/zinc/22/64/51/1130226451.db2.gz XOLTUJBNQUNYRC-NRFANRHFSA-N 1 3 338.499 3.676 20 0 EHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493424 1130414425 /nfs/dbraw/zinc/41/44/25/1130414425.db2.gz ICQJELFQWWPVPM-QHAWAJNXSA-N 1 3 330.516 3.961 20 0 EHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493424 1130414431 /nfs/dbraw/zinc/41/44/31/1130414431.db2.gz ICQJELFQWWPVPM-QHAWAJNXSA-N 1 3 330.516 3.961 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885046 1131554489 /nfs/dbraw/zinc/55/44/89/1131554489.db2.gz YKHBLPNOHOJNAH-CRAIPNDOSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@H]1C ZINC000740885046 1131554491 /nfs/dbraw/zinc/55/44/91/1131554491.db2.gz YKHBLPNOHOJNAH-CRAIPNDOSA-N 1 3 342.483 3.714 20 0 EHADHO CC(C)COCC[C@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172467251 1131754348 /nfs/dbraw/zinc/75/43/48/1131754348.db2.gz JYJYCSAHNYWVKG-KRWDZBQOSA-N 1 3 336.495 3.613 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001173074161 1131955416 /nfs/dbraw/zinc/95/54/16/1131955416.db2.gz CVVMGVSMCLDFME-KBMXLJTQSA-N 1 3 344.421 3.979 20 0 EHADHO CCCN1C[C@@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173206142 1132011776 /nfs/dbraw/zinc/01/17/76/1132011776.db2.gz NXWYOGVMGMGAAR-FUUYNRHESA-N 1 3 328.500 3.650 20 0 EHADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173206142 1132011781 /nfs/dbraw/zinc/01/17/81/1132011781.db2.gz NXWYOGVMGMGAAR-FUUYNRHESA-N 1 3 328.500 3.650 20 0 EHADHO CCCC[N@H+](CC1(CC(=O)OC)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001174983190 1132535626 /nfs/dbraw/zinc/53/56/26/1132535626.db2.gz FOXWGYAQZFACKV-UHFFFAOYSA-N 1 3 338.536 3.741 20 0 EHADHO CCCC[N@@H+](CC1(CC(=O)OC)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001174983190 1132535634 /nfs/dbraw/zinc/53/56/34/1132535634.db2.gz FOXWGYAQZFACKV-UHFFFAOYSA-N 1 3 338.536 3.741 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101101 1132655370 /nfs/dbraw/zinc/65/53/70/1132655370.db2.gz OKYDBJLRPUMBAQ-HAGHYFMRSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101101 1132655374 /nfs/dbraw/zinc/65/53/74/1132655374.db2.gz OKYDBJLRPUMBAQ-HAGHYFMRSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162977 1132684515 /nfs/dbraw/zinc/68/45/15/1132684515.db2.gz WAZHXMHJGZIBDA-DLRJPAPCSA-N 1 3 328.475 3.731 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@]3(CCc4c3cccc4F)C1)C2 ZINC001169162977 1132684518 /nfs/dbraw/zinc/68/45/18/1132684518.db2.gz WAZHXMHJGZIBDA-DLRJPAPCSA-N 1 3 328.475 3.731 20 0 EHADHO CCCCN(C)CCC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169274815 1132713139 /nfs/dbraw/zinc/71/31/39/1132713139.db2.gz KFKFPLPPVBEULQ-UHFFFAOYSA-N 1 3 346.515 3.866 20 0 EHADHO C[NH+](C)CCCOc1ccc(Nc2ccnc(C3CCC3)c2)cn1 ZINC001176352537 1132918193 /nfs/dbraw/zinc/91/81/93/1132918193.db2.gz NODUKNZPZFMJMI-UHFFFAOYSA-N 1 3 326.444 3.818 20 0 EHADHO CCC[C@](C)([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC001176891183 1133007928 /nfs/dbraw/zinc/00/79/28/1133007928.db2.gz ACXZFACGEHCNPE-NRFANRHFSA-N 1 3 331.548 3.708 20 0 EHADHO CC1(C)CC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC(C)(C)N1O ZINC001169987872 1133104549 /nfs/dbraw/zinc/10/45/49/1133104549.db2.gz DZYMZXPSZUAAHL-QGZVFWFLSA-N 1 3 349.563 3.808 20 0 EHADHO COc1cccc2c1CCC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C2 ZINC001178464361 1133171566 /nfs/dbraw/zinc/17/15/66/1133171566.db2.gz XFTABJKEJIXYHW-IEBWSBKVSA-N 1 3 330.516 3.797 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(F)c2OC(F)(F)F)C1 ZINC001178916184 1133211574 /nfs/dbraw/zinc/21/15/74/1133211574.db2.gz BBTNEFHVNZVSNE-LBPRGKRZSA-N 1 3 334.357 3.546 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(F)c2OC(F)(F)F)C1 ZINC001178916184 1133211581 /nfs/dbraw/zinc/21/15/81/1133211581.db2.gz BBTNEFHVNZVSNE-LBPRGKRZSA-N 1 3 334.357 3.546 20 0 EHADHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817223 1133286998 /nfs/dbraw/zinc/28/69/98/1133286998.db2.gz OYVPWMDTZXHODB-WBAXXEDZSA-N 1 3 330.472 3.984 20 0 EHADHO C[N@H+]1C[C@@H]2CC[C@H](NCc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817223 1133287001 /nfs/dbraw/zinc/28/70/01/1133287001.db2.gz OYVPWMDTZXHODB-WBAXXEDZSA-N 1 3 330.472 3.984 20 0 EHADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817223 1133287006 /nfs/dbraw/zinc/28/70/06/1133287006.db2.gz OYVPWMDTZXHODB-WBAXXEDZSA-N 1 3 330.472 3.984 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897848 1133293966 /nfs/dbraw/zinc/29/39/66/1133293966.db2.gz ABAJMTDSEOMSFX-SJLPKXTDSA-N 1 3 348.531 3.786 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001179897848 1133293970 /nfs/dbraw/zinc/29/39/70/1133293970.db2.gz ABAJMTDSEOMSFX-SJLPKXTDSA-N 1 3 348.531 3.786 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184387465 1133933662 /nfs/dbraw/zinc/93/36/62/1133933662.db2.gz KRXMODMSMREDEZ-JWZBEHFJSA-N 1 3 326.406 3.566 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC001184388197 1133933955 /nfs/dbraw/zinc/93/39/55/1133933955.db2.gz PATMVWGUBBCDRL-QIJZBDPFSA-N 1 3 326.406 3.739 20 0 EHADHO C[N@H+](CCCN[C@@H]1CC[C@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775360659 1134665507 /nfs/dbraw/zinc/66/55/07/1134665507.db2.gz AEQGHMGFIDXVLA-BRWVUGGUSA-N 1 3 328.591 3.610 20 0 EHADHO C[N@@H+](CCCN[C@@H]1CC[C@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775360659 1134665510 /nfs/dbraw/zinc/66/55/10/1134665510.db2.gz AEQGHMGFIDXVLA-BRWVUGGUSA-N 1 3 328.591 3.610 20 0 EHADHO C[N@H+](CCCN[C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775360661 1134665542 /nfs/dbraw/zinc/66/55/42/1134665542.db2.gz AEQGHMGFIDXVLA-IKGGRYGDSA-N 1 3 328.591 3.610 20 0 EHADHO C[N@@H+](CCCN[C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCCCC1 ZINC000775360661 1134665544 /nfs/dbraw/zinc/66/55/44/1134665544.db2.gz AEQGHMGFIDXVLA-IKGGRYGDSA-N 1 3 328.591 3.610 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(F)c(OC)c2)c1 ZINC001199376630 1135901714 /nfs/dbraw/zinc/90/17/14/1135901714.db2.gz MOICYZLEVCMHCD-UHFFFAOYSA-N 1 3 330.447 3.966 20 0 EHADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(Br)nc1 ZINC000810219862 1135939625 /nfs/dbraw/zinc/93/96/25/1135939625.db2.gz WUHZWQQMDQHZGR-TZMCWYRMSA-N 1 3 342.325 3.861 20 0 EHADHO FC(F)(F)CCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202424703 1136140194 /nfs/dbraw/zinc/14/01/94/1136140194.db2.gz MPFZQUCNJJYMHC-KRWDZBQOSA-N 1 3 326.406 3.927 20 0 EHADHO FC(F)(F)CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202424703 1136140198 /nfs/dbraw/zinc/14/01/98/1136140198.db2.gz MPFZQUCNJJYMHC-KRWDZBQOSA-N 1 3 326.406 3.927 20 0 EHADHO Cc1ccc(CN2C[C@H]3C[NH+](CCCC(F)(F)F)C[C@@H]3C2)cc1 ZINC001202394830 1136141091 /nfs/dbraw/zinc/14/10/91/1136141091.db2.gz JZWHRBZVKCQHHZ-IAGOWNOFSA-N 1 3 326.406 3.701 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1CN1CCCCC1 ZINC000850480961 1136266789 /nfs/dbraw/zinc/26/67/89/1136266789.db2.gz DBEOIXPPHRDJPA-QFBILLFUSA-N 1 3 346.515 3.899 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560780 1136795703 /nfs/dbraw/zinc/79/57/03/1136795703.db2.gz QVIJAHUBJSHWJV-LJQANCHMSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560780 1136795706 /nfs/dbraw/zinc/79/57/06/1136795706.db2.gz QVIJAHUBJSHWJV-LJQANCHMSA-N 1 3 333.520 3.811 20 0 EHADHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817905485 1136845217 /nfs/dbraw/zinc/84/52/17/1136845217.db2.gz NZKSWIHPDSOBGJ-QSWMPLQWSA-N 1 3 334.479 3.538 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)c1cc(F)ccc1F ZINC000818943118 1136893963 /nfs/dbraw/zinc/89/39/63/1136893963.db2.gz PPKDMQMFPKSMQW-FQEVSTJZSA-N 1 3 348.437 3.630 20 0 EHADHO Cc1ccccc1[C@@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000818982897 1136896205 /nfs/dbraw/zinc/89/62/05/1136896205.db2.gz VBSORODYPHUOEE-UNMCSNQZSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccccc1[C@@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982897 1136896206 /nfs/dbraw/zinc/89/62/06/1136896206.db2.gz VBSORODYPHUOEE-UNMCSNQZSA-N 1 3 338.495 3.530 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc1OC ZINC000858546373 1136977831 /nfs/dbraw/zinc/97/78/31/1136977831.db2.gz UGGNFPDKBVVNOC-DLVCFXQMSA-N 1 3 346.515 3.755 20 0 EHADHO COc1cc(Cl)cc(CN2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001144488066 1137299595 /nfs/dbraw/zinc/29/95/95/1137299595.db2.gz BYMJXLFTNPEEJK-UHFFFAOYSA-N 1 3 336.907 3.902 20 0 EHADHO Cc1cc2oc(=O)cc(CN3CCC(CC[NH3+])CC3)c2cc1C(C)C ZINC000846226944 1137342512 /nfs/dbraw/zinc/34/25/12/1137342512.db2.gz FFJOFNPVUUNMBF-UHFFFAOYSA-N 1 3 342.483 3.786 20 0 EHADHO CCCN(Cc1cccc(Br)c1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246842336 1137389705 /nfs/dbraw/zinc/38/97/05/1137389705.db2.gz YQBZETYYEIGPGD-CJNGLKHVSA-N 1 3 325.294 3.802 20 0 EHADHO CCC[N@H+](Cc1cccc(Br)c1)[C@H]1CCN[C@H](C)C1 ZINC001246842336 1137389707 /nfs/dbraw/zinc/38/97/07/1137389707.db2.gz YQBZETYYEIGPGD-CJNGLKHVSA-N 1 3 325.294 3.802 20 0 EHADHO CCC[N@@H+](Cc1cccc(Br)c1)[C@H]1CCN[C@H](C)C1 ZINC001246842336 1137389708 /nfs/dbraw/zinc/38/97/08/1137389708.db2.gz YQBZETYYEIGPGD-CJNGLKHVSA-N 1 3 325.294 3.802 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282730897 1137442712 /nfs/dbraw/zinc/44/27/12/1137442712.db2.gz SNXONJYRNFVWGB-UHFFFAOYSA-N 1 3 340.515 3.748 20 0 EHADHO CCOCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693630 1137488542 /nfs/dbraw/zinc/48/85/42/1137488542.db2.gz PJBXPBRPARLPHP-ZCNNSNEGSA-N 1 3 330.516 3.692 20 0 EHADHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519733 1137495920 /nfs/dbraw/zinc/49/59/20/1137495920.db2.gz IYODAJIVXFDSQO-KGLIPLIRSA-N 1 3 340.433 3.814 20 0 EHADHO CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171519733 1137495922 /nfs/dbraw/zinc/49/59/22/1137495922.db2.gz IYODAJIVXFDSQO-KGLIPLIRSA-N 1 3 340.433 3.814 20 0 EHADHO CCOC(=O)[C@]1(C)CCCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171631207 1137499696 /nfs/dbraw/zinc/49/96/96/1137499696.db2.gz GHIHLAPUGLPNCX-HXUWFJFHSA-N 1 3 338.536 3.693 20 0 EHADHO CCOC(=O)[C@]1(C)CCCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171631207 1137499697 /nfs/dbraw/zinc/49/96/97/1137499697.db2.gz GHIHLAPUGLPNCX-HXUWFJFHSA-N 1 3 338.536 3.693 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(O)(c3ccc(F)cc3)CC2)CC1(C)C ZINC001171638166 1137504570 /nfs/dbraw/zinc/50/45/70/1137504570.db2.gz VEFBKCOPTQEXIM-UHFFFAOYSA-N 1 3 348.506 3.761 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1(C)C ZINC001171638166 1137504571 /nfs/dbraw/zinc/50/45/71/1137504571.db2.gz VEFBKCOPTQEXIM-UHFFFAOYSA-N 1 3 348.506 3.761 20 0 EHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807990 1137513848 /nfs/dbraw/zinc/51/38/48/1137513848.db2.gz WWGAKUYACKNBPZ-ICSRJNTNSA-N 1 3 338.470 3.747 20 0 EHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2cccc(F)c2C1 ZINC001171807990 1137513849 /nfs/dbraw/zinc/51/38/49/1137513849.db2.gz WWGAKUYACKNBPZ-ICSRJNTNSA-N 1 3 338.470 3.747 20 0 EHADHO CCCc1cc(CN)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974023 1137524832 /nfs/dbraw/zinc/52/48/32/1137524832.db2.gz BLUFCISGDFFBJV-HXUWFJFHSA-N 1 3 340.515 3.910 20 0 EHADHO CCCc1cc(CN)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974023 1137524834 /nfs/dbraw/zinc/52/48/34/1137524834.db2.gz BLUFCISGDFFBJV-HXUWFJFHSA-N 1 3 340.515 3.910 20 0 EHADHO CC1(C)C[C@@H](N2CC(N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987829 1137527703 /nfs/dbraw/zinc/52/77/03/1137527703.db2.gz KHBHMIJQSJBVCL-FQEVSTJZSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@@H](N2CC(N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987829 1137527705 /nfs/dbraw/zinc/52/77/05/1137527705.db2.gz KHBHMIJQSJBVCL-FQEVSTJZSA-N 1 3 341.543 3.600 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109726 1137537245 /nfs/dbraw/zinc/53/72/45/1137537245.db2.gz KJGPGQIDBXSSKU-ZWUHOBOKSA-N 1 3 343.298 3.632 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109726 1137537247 /nfs/dbraw/zinc/53/72/47/1137537247.db2.gz KJGPGQIDBXSSKU-ZWUHOBOKSA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109726 1137537249 /nfs/dbraw/zinc/53/72/49/1137537249.db2.gz KJGPGQIDBXSSKU-ZWUHOBOKSA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001172111483 1137537409 /nfs/dbraw/zinc/53/74/09/1137537409.db2.gz UVLBMRDDVDTJGK-LOUJCGABSA-N 1 3 343.298 3.632 20 0 EHADHO COc1cccc(CC2(N)CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)c1 ZINC001172368496 1137555095 /nfs/dbraw/zinc/55/50/95/1137555095.db2.gz ISTWOMIPBAHNHV-YQVWRLOYSA-N 1 3 330.516 3.856 20 0 EHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000872031983 1137566447 /nfs/dbraw/zinc/56/64/47/1137566447.db2.gz ORNQDWZYKHODNU-HBMCJLEFSA-N 1 3 344.543 3.734 20 0 EHADHO Brc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000872107393 1137571450 /nfs/dbraw/zinc/57/14/50/1137571450.db2.gz QBXLTCNGEHEUNK-IRXDYDNUSA-N 1 3 349.316 3.697 20 0 EHADHO Brc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000872107393 1137571451 /nfs/dbraw/zinc/57/14/51/1137571451.db2.gz QBXLTCNGEHEUNK-IRXDYDNUSA-N 1 3 349.316 3.697 20 0 EHADHO COc1ccc([C@H](NC[C@H]2C[C@@H]([NH3+])C2)c2ccccc2Cl)cc1 ZINC000873250269 1137595344 /nfs/dbraw/zinc/59/53/44/1137595344.db2.gz FXERGUPPMNODDU-OHNRDTAOSA-N 1 3 330.859 3.765 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(-c2ccccc2)o1 ZINC000873291328 1137596635 /nfs/dbraw/zinc/59/66/35/1137596635.db2.gz JTWDZLJMUIPJOZ-FUHWJXTLSA-N 1 3 340.467 3.756 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000877038146 1137668456 /nfs/dbraw/zinc/66/84/56/1137668456.db2.gz IKKCQBMVDDNAFO-HIFRSBDPSA-N 1 3 327.299 3.995 20 0 EHADHO CCc1ccc2nccc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727281 1137832587 /nfs/dbraw/zinc/83/25/87/1137832587.db2.gz RAUBVSFKSJLHSQ-SFHVURJKSA-N 1 3 339.483 3.535 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)c(F)c1 ZINC000120838539 1137952761 /nfs/dbraw/zinc/95/27/61/1137952761.db2.gz XMDSOUQKPQGUDM-CYBMUJFWSA-N 1 3 334.410 3.886 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c(F)c1 ZINC000120838539 1137952762 /nfs/dbraw/zinc/95/27/62/1137952762.db2.gz XMDSOUQKPQGUDM-CYBMUJFWSA-N 1 3 334.410 3.886 20 0 EHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(CO)c2)c1 ZINC000121305039 1137956771 /nfs/dbraw/zinc/95/67/71/1137956771.db2.gz ZYPUNDJFUCSLQI-QGZVFWFLSA-N 1 3 326.484 3.872 20 0 EHADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c(F)c1OC ZINC000885923334 1138024736 /nfs/dbraw/zinc/02/47/36/1138024736.db2.gz XCKUAUSIPVPLDO-HNNXBMFYSA-N 1 3 338.467 3.587 20 0 EHADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)c(F)c1OC ZINC000885923334 1138024737 /nfs/dbraw/zinc/02/47/37/1138024737.db2.gz XCKUAUSIPVPLDO-HNNXBMFYSA-N 1 3 338.467 3.587 20 0 EHADHO CN(C)C(=O)Sc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000084083766 1138177375 /nfs/dbraw/zinc/17/73/75/1138177375.db2.gz PPDIETWZIWOSFT-UHFFFAOYSA-N 1 3 349.544 3.624 20 0 EHADHO COc1cc(F)cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090972251 1138214500 /nfs/dbraw/zinc/21/45/00/1138214500.db2.gz YKSSSGSQUOMPTC-OAHLLOKOSA-N 1 3 346.446 3.626 20 0 EHADHO COCCOc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123628301 1138272506 /nfs/dbraw/zinc/27/25/06/1138272506.db2.gz AUOKMJUBSWVCOK-QGZVFWFLSA-N 1 3 342.483 3.624 20 0 EHADHO CCc1ccc([C@@H](CC)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132942144 1138612272 /nfs/dbraw/zinc/61/22/72/1138612272.db2.gz XZCWGONQRLXLRA-GHTZIAJQSA-N 1 3 330.516 3.791 20 0 EHADHO Cc1ccc(C[NH2+]CCCN2CCC(C)CC2)c(-c2ccnn2C)c1 ZINC000338426627 1138908819 /nfs/dbraw/zinc/90/88/19/1138908819.db2.gz QLDQPDIQXIJSQS-UHFFFAOYSA-N 1 3 340.515 3.607 20 0 EHADHO C[C@H]1C[C@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000174517159 1139426006 /nfs/dbraw/zinc/42/60/06/1139426006.db2.gz XLHIZRXYDICOBT-FUHWJXTLSA-N 1 3 334.467 3.598 20 0 EHADHO C[C@H]1C[C@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517159 1139426008 /nfs/dbraw/zinc/42/60/08/1139426008.db2.gz XLHIZRXYDICOBT-FUHWJXTLSA-N 1 3 334.467 3.598 20 0 EHADHO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178470656 1139697594 /nfs/dbraw/zinc/69/75/94/1139697594.db2.gz DDORNMKLYVOFER-MSOLQXFVSA-N 1 3 346.515 3.627 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000178737203 1139715107 /nfs/dbraw/zinc/71/51/07/1139715107.db2.gz WFQPXMAQYGYKIF-FYSMJZIKSA-N 1 3 344.524 3.727 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000178737203 1139715115 /nfs/dbraw/zinc/71/51/15/1139715115.db2.gz WFQPXMAQYGYKIF-FYSMJZIKSA-N 1 3 344.524 3.727 20 0 EHADHO c1csc(CCN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000183134108 1140015290 /nfs/dbraw/zinc/01/52/90/1140015290.db2.gz NTYREDRZIDVDGO-OTWHNJEPSA-N 1 3 341.524 3.576 20 0 EHADHO c1csc(CCN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000183134108 1140015295 /nfs/dbraw/zinc/01/52/95/1140015295.db2.gz NTYREDRZIDVDGO-OTWHNJEPSA-N 1 3 341.524 3.576 20 0 EHADHO c1cc(CCC[NH2+]C2CCN(C3CCCC3)CC2)cc2c1OCC2 ZINC000193301332 1140570779 /nfs/dbraw/zinc/57/07/79/1140570779.db2.gz JCYXMSLALXZASZ-UHFFFAOYSA-N 1 3 328.500 3.551 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)CCN1Cc1ccccc1 ZINC000268731655 1140978374 /nfs/dbraw/zinc/97/83/74/1140978374.db2.gz UGLQERDBYIAOEL-MISYRCLQSA-N 1 3 341.499 3.525 20 0 EHADHO OC1CC[NH+](Cc2ccccc2CNc2ccnc3ccccc32)CC1 ZINC000269324159 1141093807 /nfs/dbraw/zinc/09/38/07/1141093807.db2.gz GDXWAODLOSVKGG-UHFFFAOYSA-N 1 3 347.462 3.804 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548233 1141394634 /nfs/dbraw/zinc/39/46/34/1141394634.db2.gz UNLXGVVVAYMCPS-RZAIGCCYSA-N 1 3 340.870 3.508 20 0 EHADHO c1ccc(C2CC2)c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475731 1032070470 /nfs/dbraw/zinc/07/04/70/1032070470.db2.gz QHZWNWCMANAQQX-UNMCSNQZSA-N 1 3 334.463 3.910 20 0 EHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc2c[nH]nc2c1 ZINC000153561163 1014559019 /nfs/dbraw/zinc/55/90/19/1014559019.db2.gz QKPGYAMUIMUKDP-IRXDYDNUSA-N 1 3 348.494 3.809 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606398 1015058728 /nfs/dbraw/zinc/05/87/28/1015058728.db2.gz FTEAZDBRHZLFCD-MJGOQNOKSA-N 1 3 336.907 3.663 20 0 EHADHO C[N@H+]1CCC[C@@H](CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606398 1015058738 /nfs/dbraw/zinc/05/87/38/1015058738.db2.gz FTEAZDBRHZLFCD-MJGOQNOKSA-N 1 3 336.907 3.663 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)CCN1C ZINC000154680442 1015757152 /nfs/dbraw/zinc/75/71/52/1015757152.db2.gz FZHJBGKRLDNZOP-YOEHRIQHSA-N 1 3 329.419 3.585 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc2cnccc2o1 ZINC000657840202 1032197261 /nfs/dbraw/zinc/19/72/61/1032197261.db2.gz BWDILSZKEYKVRW-OAHLLOKOSA-N 1 3 339.439 3.619 20 0 EHADHO C[C@H]1CSC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449124498 1032217251 /nfs/dbraw/zinc/21/72/51/1032217251.db2.gz GOZKAUIDGPQDEQ-KSSFIOAISA-N 1 3 338.948 3.893 20 0 EHADHO CCN1CCCC[C@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449145559 1032248005 /nfs/dbraw/zinc/24/80/05/1032248005.db2.gz YAJLYWAEKIJWIV-KNQAVFIVSA-N 1 3 343.559 3.546 20 0 EHADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000538397909 1032342642 /nfs/dbraw/zinc/34/26/42/1032342642.db2.gz DUMHRSWMUKPZSE-OAHLLOKOSA-N 1 3 349.906 3.764 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@@H](C)C1 ZINC000536882749 1032387123 /nfs/dbraw/zinc/38/71/23/1032387123.db2.gz MSGOTHOTVNWFRY-QFBILLFUSA-N 1 3 346.515 3.837 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000459743961 1032457059 /nfs/dbraw/zinc/45/70/59/1032457059.db2.gz XIQHDYUNPAYDSX-INIZCTEOSA-N 1 3 327.447 3.709 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(-c3ccncc3)cc2F)C1 ZINC000459743961 1032457066 /nfs/dbraw/zinc/45/70/66/1032457066.db2.gz XIQHDYUNPAYDSX-INIZCTEOSA-N 1 3 327.447 3.709 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccnc1 ZINC000091319389 1032684313 /nfs/dbraw/zinc/68/43/13/1032684313.db2.gz IEOWEWMSPHJOIE-UNMCSNQZSA-N 1 3 337.511 3.933 20 0 EHADHO [NH3+][C@H]1C[C@@H](NCCc2cccc(Br)c2)c2ccccc21 ZINC000313735088 1017526285 /nfs/dbraw/zinc/52/62/85/1017526285.db2.gz GPNGUCICJKXTDC-DLBZAZTESA-N 1 3 331.257 3.726 20 0 EHADHO C[C@H](CNC[C@]1(C)CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415089148 1017536806 /nfs/dbraw/zinc/53/68/06/1017536806.db2.gz MYGYCIQIRLZJIZ-IUODEOHRSA-N 1 3 343.334 3.519 20 0 EHADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415088643 1017538086 /nfs/dbraw/zinc/53/80/86/1017538086.db2.gz WLGHCXKYTZLVJM-QFHJOOASSA-N 1 3 347.934 3.819 20 0 EHADHO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000433630145 1019469974 /nfs/dbraw/zinc/46/99/74/1019469974.db2.gz DGQYUPYISPVFJZ-PVIWCNJMSA-N 1 3 342.527 3.548 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cn3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000513544434 1019810187 /nfs/dbraw/zinc/81/01/87/1019810187.db2.gz HYDRJLGBSYHFFR-ICSRJNTNSA-N 1 3 348.494 3.725 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544434 1019810201 /nfs/dbraw/zinc/81/02/01/1019810201.db2.gz HYDRJLGBSYHFFR-ICSRJNTNSA-N 1 3 348.494 3.725 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCC2=CCCOC2)C1 ZINC000126544296 1020082941 /nfs/dbraw/zinc/08/29/41/1020082941.db2.gz MVARZGAUJVYXOA-QZTJIDSGSA-N 1 3 328.500 3.601 20 0 EHADHO CC[C@H](C)N1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000449630940 1032931976 /nfs/dbraw/zinc/93/19/76/1032931976.db2.gz NZUCGAQKAJINFJ-IBGZPJMESA-N 1 3 331.548 3.561 20 0 EHADHO CC[C@H](C)N1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000449630940 1032931983 /nfs/dbraw/zinc/93/19/83/1032931983.db2.gz NZUCGAQKAJINFJ-IBGZPJMESA-N 1 3 331.548 3.561 20 0 EHADHO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000656784460 1021333719 /nfs/dbraw/zinc/33/37/19/1021333719.db2.gz BDPHGFSULICAOO-LJQANCHMSA-N 1 3 344.547 3.679 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1O ZINC000426366717 1021390805 /nfs/dbraw/zinc/39/08/05/1021390805.db2.gz QSUAYCRLGXTFOF-IAGOWNOFSA-N 1 3 334.504 3.576 20 0 EHADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000427540688 1021455792 /nfs/dbraw/zinc/45/57/92/1021455792.db2.gz NNRBZSWECJTCQW-SVFBPWRDSA-N 1 3 332.532 3.733 20 0 EHADHO Cc1ccc(OCc2nc(CNCC3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414910949 1022042562 /nfs/dbraw/zinc/04/25/62/1022042562.db2.gz SXNGDYALPNLXAN-UHFFFAOYSA-N 1 3 345.512 3.510 20 0 EHADHO Cc1c(C)c(C)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1C ZINC000441204657 1022061445 /nfs/dbraw/zinc/06/14/45/1022061445.db2.gz NQTDFVDCMCDFCK-CEMLEFRQSA-N 1 3 344.543 3.912 20 0 EHADHO Fc1ccccc1[C@@H]1CC[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425892822 1022130403 /nfs/dbraw/zinc/13/04/03/1022130403.db2.gz AMXFOYAKYNYMOD-CVEARBPZSA-N 1 3 343.446 3.707 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402306 1022216668 /nfs/dbraw/zinc/21/66/68/1022216668.db2.gz HGVHKMJWTIJGOP-UYAOXDASSA-N 1 3 328.500 3.631 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402306 1022216673 /nfs/dbraw/zinc/21/66/73/1022216673.db2.gz HGVHKMJWTIJGOP-UYAOXDASSA-N 1 3 328.500 3.631 20 0 EHADHO CC(C)N1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127372703 1022298417 /nfs/dbraw/zinc/29/84/17/1022298417.db2.gz YJSVLCLOTADBEO-UHFFFAOYSA-N 1 3 329.257 3.551 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000438216998 1022477597 /nfs/dbraw/zinc/47/75/97/1022477597.db2.gz VBAZRJSHWZPQTO-KRWDZBQOSA-N 1 3 336.907 3.568 20 0 EHADHO COc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978114 1022742934 /nfs/dbraw/zinc/74/29/34/1022742934.db2.gz JFFBBHNRDUOHPJ-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO COc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978114 1022742948 /nfs/dbraw/zinc/74/29/48/1022742948.db2.gz JFFBBHNRDUOHPJ-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO Cc1ncsc1CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000471871709 1022776243 /nfs/dbraw/zinc/77/62/43/1022776243.db2.gz MPFBPCNLVPBUEC-OALUTQOASA-N 1 3 343.540 3.666 20 0 EHADHO Cc1ncsc1CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000471871709 1022776257 /nfs/dbraw/zinc/77/62/57/1022776257.db2.gz MPFBPCNLVPBUEC-OALUTQOASA-N 1 3 343.540 3.666 20 0 EHADHO FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000189037830 1022955694 /nfs/dbraw/zinc/95/56/94/1022955694.db2.gz OZJQSKNKGREAFC-NSHDSACASA-N 1 3 332.797 3.933 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414948388 1022975322 /nfs/dbraw/zinc/97/53/22/1022975322.db2.gz XYHMERJTIFGCLM-VLIAUNLRSA-N 1 3 330.422 3.684 20 0 EHADHO C[C@H]1C[C@@H](NC(Cc2ccccc2F)Cc2ccccc2F)CC[NH2+]1 ZINC000414952378 1022994496 /nfs/dbraw/zinc/99/44/96/1022994496.db2.gz QPUVDGXIZHAROK-YJBOKZPZSA-N 1 3 344.449 3.849 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CCN1 ZINC000414952378 1022994504 /nfs/dbraw/zinc/99/45/04/1022994504.db2.gz QPUVDGXIZHAROK-YJBOKZPZSA-N 1 3 344.449 3.849 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429520 1023293454 /nfs/dbraw/zinc/29/34/54/1023293454.db2.gz JQJYRRDSIWCGDG-GUYCJALGSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429520 1023293455 /nfs/dbraw/zinc/29/34/55/1023293455.db2.gz JQJYRRDSIWCGDG-GUYCJALGSA-N 1 3 339.321 3.920 20 0 EHADHO CCCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092381230 1023399091 /nfs/dbraw/zinc/39/90/91/1023399091.db2.gz VGXDLHJFMQCBBA-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO C[NH+](C)CCCC1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000535756071 1023616744 /nfs/dbraw/zinc/61/67/44/1023616744.db2.gz SLZMRHSNXVBHAD-UHFFFAOYSA-N 1 3 346.559 3.826 20 0 EHADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000510006745 1024373910 /nfs/dbraw/zinc/37/39/10/1024373910.db2.gz JDLNIBWLRIBYKV-GHRIWEEISA-N 1 3 328.500 3.700 20 0 EHADHO C[C@H]1C[C@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000472036071 1024424638 /nfs/dbraw/zinc/42/46/38/1024424638.db2.gz BCLXOXVCDAUFGI-WMZOPIPTSA-N 1 3 342.458 3.922 20 0 EHADHO C[C@H]1C[C@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472036071 1024424642 /nfs/dbraw/zinc/42/46/42/1024424642.db2.gz BCLXOXVCDAUFGI-WMZOPIPTSA-N 1 3 342.458 3.922 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000535780936 1024432731 /nfs/dbraw/zinc/43/27/31/1024432731.db2.gz COHFESOLPMBDBV-MRXNPFEDSA-N 1 3 346.515 3.572 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000280965517 1024498492 /nfs/dbraw/zinc/49/84/92/1024498492.db2.gz SQPVKCHWBXSNND-FGTMMUONSA-N 1 3 348.531 3.906 20 0 EHADHO c1cc2cc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2o1 ZINC000665238293 1024731092 /nfs/dbraw/zinc/73/10/92/1024731092.db2.gz VJSQILGQYYXUCA-RXVVDRJESA-N 1 3 334.419 3.778 20 0 EHADHO COCc1csc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000657298366 1024737476 /nfs/dbraw/zinc/73/74/76/1024737476.db2.gz SRQBKIBRKPVLIJ-UHFFFAOYSA-N 1 3 330.497 3.780 20 0 EHADHO CCc1onc(C)c1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000895764281 1024806575 /nfs/dbraw/zinc/80/65/75/1024806575.db2.gz GZYDFYJNDUZJSZ-UHFFFAOYSA-N 1 3 341.499 3.937 20 0 EHADHO c1cn(C2CC2)c(CNCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000895765417 1024810159 /nfs/dbraw/zinc/81/01/59/1024810159.db2.gz OMGYFZDAGBXXIS-UHFFFAOYSA-N 1 3 338.499 3.610 20 0 EHADHO CCN(Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435381662 1024863558 /nfs/dbraw/zinc/86/35/58/1024863558.db2.gz VFLNWPRBPFVHCO-HXUWFJFHSA-N 1 3 339.483 3.625 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(C(F)(F)F)s1 ZINC000443979719 1025133224 /nfs/dbraw/zinc/13/32/24/1025133224.db2.gz BIBGBTYURVZJMG-LBPRGKRZSA-N 1 3 335.439 3.906 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(C(F)(F)F)s1 ZINC000443979719 1025133230 /nfs/dbraw/zinc/13/32/30/1025133230.db2.gz BIBGBTYURVZJMG-LBPRGKRZSA-N 1 3 335.439 3.906 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000435785905 1025148953 /nfs/dbraw/zinc/14/89/53/1025148953.db2.gz DYUAICQZKRARAG-UHFFFAOYSA-N 1 3 326.488 3.527 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2)o1 ZINC000442861051 1025531334 /nfs/dbraw/zinc/53/13/34/1025531334.db2.gz CXCDEJQYUYKOEY-KRWDZBQOSA-N 1 3 341.499 3.623 20 0 EHADHO CC(C)[N@H+]([C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)C(C)(C)CN ZINC001168041990 1025535122 /nfs/dbraw/zinc/53/51/22/1025535122.db2.gz XJWWZDRQNXGKIQ-OPVJXMOQSA-N 1 3 331.548 3.876 20 0 EHADHO CC(C)[N@@H+]([C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)C(C)(C)CN ZINC001168041990 1025535136 /nfs/dbraw/zinc/53/51/36/1025535136.db2.gz XJWWZDRQNXGKIQ-OPVJXMOQSA-N 1 3 331.548 3.876 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1(C)C ZINC000442870790 1025543363 /nfs/dbraw/zinc/54/33/63/1025543363.db2.gz AANXSOIUWQOYIF-IBGZPJMESA-N 1 3 349.538 3.919 20 0 EHADHO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+][C@H]1CCNC1 ZINC000414890345 1026101148 /nfs/dbraw/zinc/10/11/48/1026101148.db2.gz UXXUNENEXFNUEL-XTRYRTTGSA-N 1 3 340.511 3.568 20 0 EHADHO c1c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[nH]nc1-c1ccccc1 ZINC000475219593 1026399072 /nfs/dbraw/zinc/39/90/72/1026399072.db2.gz KDVFQBQAVJKHCK-LJQANCHMSA-N 1 3 346.478 3.688 20 0 EHADHO C[C@H](CC[NH2+]CC1=Cc2ccccc2OC1)N(C)Cc1ccccc1 ZINC000531094445 1026564796 /nfs/dbraw/zinc/56/47/96/1026564796.db2.gz DEPWVFWTTKWSAE-GOSISDBHSA-N 1 3 336.479 3.963 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000531391432 1026883522 /nfs/dbraw/zinc/88/35/22/1026883522.db2.gz BIHZHTZPOISNBQ-APWZRJJASA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531391432 1026883531 /nfs/dbraw/zinc/88/35/31/1026883531.db2.gz BIHZHTZPOISNBQ-APWZRJJASA-N 1 3 334.467 3.563 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000075007723 1027095937 /nfs/dbraw/zinc/09/59/37/1027095937.db2.gz UPUDIYPKVAXQSY-UHFFFAOYSA-N 1 3 341.499 3.558 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000657561925 1027299427 /nfs/dbraw/zinc/29/94/27/1027299427.db2.gz DQRMRRMEAVZABP-HOJAQTOUSA-N 1 3 329.532 3.502 20 0 EHADHO COc1ccc([C@H](C[NH3+])CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000420323891 1027460262 /nfs/dbraw/zinc/46/02/62/1027460262.db2.gz UOKKJRUFOZJUNI-QGZVFWFLSA-N 1 3 328.431 3.541 20 0 EHADHO Brc1ccc([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)s1 ZINC000420363179 1027491955 /nfs/dbraw/zinc/49/19/55/1027491955.db2.gz BIJJTTTUQCKLHB-RYUDHWBXSA-N 1 3 329.307 3.647 20 0 EHADHO C/C(=C/c1ccccc1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612258 1027627494 /nfs/dbraw/zinc/62/74/94/1027627494.db2.gz KQICHXZBECJOMF-CYVLTUHYSA-N 1 3 335.495 3.987 20 0 EHADHO Cc1ncc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000342867275 1027741477 /nfs/dbraw/zinc/74/14/77/1027741477.db2.gz AEXGTIVVCMGEMX-UHFFFAOYSA-N 1 3 341.524 3.940 20 0 EHADHO Cc1ncc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000342867275 1027741489 /nfs/dbraw/zinc/74/14/89/1027741489.db2.gz AEXGTIVVCMGEMX-UHFFFAOYSA-N 1 3 341.524 3.940 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc(C(C)(C)C)cs1 ZINC000422747907 1027915137 /nfs/dbraw/zinc/91/51/37/1027915137.db2.gz ZWESPIBHXRJBOZ-GDBMZVCRSA-N 1 3 331.529 3.531 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2cccnc21 ZINC000422791475 1027964900 /nfs/dbraw/zinc/96/49/00/1027964900.db2.gz YPFXHOUDIVFOAL-UGKGYDQZSA-N 1 3 345.446 3.580 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnccc1N ZINC000422883544 1028018258 /nfs/dbraw/zinc/01/82/58/1028018258.db2.gz QSAOQVPSSFRYKQ-IAGOWNOFSA-N 1 3 338.499 3.719 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnccc1N ZINC000422883544 1028018276 /nfs/dbraw/zinc/01/82/76/1028018276.db2.gz QSAOQVPSSFRYKQ-IAGOWNOFSA-N 1 3 338.499 3.719 20 0 EHADHO Cc1cc(C)n(-c2ccccc2CN[C@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000422886178 1028021005 /nfs/dbraw/zinc/02/10/05/1028021005.db2.gz IAMOYGMZZHYDKL-MRXNPFEDSA-N 1 3 349.482 3.502 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422868469 1028029818 /nfs/dbraw/zinc/02/98/18/1028029818.db2.gz VBYVPNLMCYSATO-XMSQKQJNSA-N 1 3 338.495 3.881 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000422931542 1028061891 /nfs/dbraw/zinc/06/18/91/1028061891.db2.gz XTTCBIQGPNQKPI-RXVVDRJESA-N 1 3 338.451 3.866 20 0 EHADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422951354 1028088671 /nfs/dbraw/zinc/08/86/71/1028088671.db2.gz YGQGAKVNOWWZFX-BRWVUGGUSA-N 1 3 342.405 3.595 20 0 EHADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000422997359 1028114708 /nfs/dbraw/zinc/11/47/08/1028114708.db2.gz NUNOBXKGXNVSIJ-CWFSZBLJSA-N 1 3 342.508 3.680 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC000423009316 1028121348 /nfs/dbraw/zinc/12/13/48/1028121348.db2.gz CONJPAMWBZBCCB-ZYSHUDEJSA-N 1 3 334.454 3.897 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423039160 1028143885 /nfs/dbraw/zinc/14/38/85/1028143885.db2.gz DSOYNHFEMHBTPP-XNJGSVPQSA-N 1 3 342.314 3.550 20 0 EHADHO COc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000423120540 1028187171 /nfs/dbraw/zinc/18/71/71/1028187171.db2.gz GZOININUIDNTHT-KBPBESRZSA-N 1 3 343.471 3.586 20 0 EHADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(Br)cc1Cl ZINC000423133958 1028220647 /nfs/dbraw/zinc/22/06/47/1028220647.db2.gz LPVCMXQWCHONQE-KBPBESRZSA-N 1 3 345.712 3.850 20 0 EHADHO C[C@H](N[C@H]1CCCc2c(Br)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000423211318 1028256486 /nfs/dbraw/zinc/25/64/86/1028256486.db2.gz GVSKWXPIPIKMSI-AHIWAGSCSA-N 1 3 337.305 3.804 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423191789 1028261328 /nfs/dbraw/zinc/26/13/28/1028261328.db2.gz TYVSJFYUOSGDLN-QGZVFWFLSA-N 1 3 327.472 3.699 20 0 EHADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423343840 1028358119 /nfs/dbraw/zinc/35/81/19/1028358119.db2.gz XIOYEDAKEURVQO-ZDUSSCGKSA-N 1 3 333.476 3.990 20 0 EHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)cc1 ZINC000423354472 1028381171 /nfs/dbraw/zinc/38/11/71/1028381171.db2.gz GERHCMNPULRPJE-GFCCVEGCSA-N 1 3 331.257 3.903 20 0 EHADHO COCC1(CN[C@H](C)c2cc(Cl)sc2Cl)CC[NH2+]CC1 ZINC000423397540 1028407324 /nfs/dbraw/zinc/40/73/24/1028407324.db2.gz SNUZPIATHDRJSR-SNVBAGLBSA-N 1 3 337.316 3.722 20 0 EHADHO COc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(OC)c1 ZINC000423515983 1028489315 /nfs/dbraw/zinc/48/93/15/1028489315.db2.gz XUYQASDBKDQAQD-BEFAXECRSA-N 1 3 328.456 3.835 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)c(C)c1OC ZINC000513754385 1028664771 /nfs/dbraw/zinc/66/47/71/1028664771.db2.gz KNWHEZRPTWRCMK-KRWDZBQOSA-N 1 3 334.504 3.785 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248438303 1028903377 /nfs/dbraw/zinc/90/33/77/1028903377.db2.gz HUDSQKFMLDGCJW-IERDGZPVSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248438303 1028903394 /nfs/dbraw/zinc/90/33/94/1028903394.db2.gz HUDSQKFMLDGCJW-IERDGZPVSA-N 1 3 342.458 3.633 20 0 EHADHO CCc1csc([C@H]2CCCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275983 1028947093 /nfs/dbraw/zinc/94/70/93/1028947093.db2.gz BKGFOQUGHRPXDQ-JKSUJKDBSA-N 1 3 347.503 3.767 20 0 EHADHO C[C@H]1CC2(CN1Cc1coc(-c3ccc(F)c(F)c3)n1)CC[NH2+]CC2 ZINC000424284137 1028959291 /nfs/dbraw/zinc/95/92/91/1028959291.db2.gz CRLRVDAKAFTXLW-ZDUSSCGKSA-N 1 3 347.409 3.584 20 0 EHADHO C[C@@H]1CC2(CN1Cc1ncc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000424368575 1029030734 /nfs/dbraw/zinc/03/07/34/1029030734.db2.gz AOTKXOSVJASNFP-OAHLLOKOSA-N 1 3 327.497 3.774 20 0 EHADHO c1sc(-c2ccccc2)nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787252 1029050566 /nfs/dbraw/zinc/05/05/66/1029050566.db2.gz VPUCFHJQSOHAOP-IAGOWNOFSA-N 1 3 327.497 3.632 20 0 EHADHO CN(Cc1ccc2c(c1)ncn2C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000271710576 1029132380 /nfs/dbraw/zinc/13/23/80/1029132380.db2.gz GUSFCPUFOLFAEC-UHFFFAOYSA-N 1 3 348.494 3.670 20 0 EHADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809535 1029261406 /nfs/dbraw/zinc/26/14/06/1029261406.db2.gz GVBQYTWADHAYOD-STQMWFEESA-N 1 3 345.409 3.530 20 0 EHADHO COc1cc(CCNC2CC[NH+](C3CCCCC3)CC2)ccc1C ZINC000161695086 1029265957 /nfs/dbraw/zinc/26/59/57/1029265957.db2.gz BHPRXWXWDDBRBG-UHFFFAOYSA-N 1 3 330.516 3.933 20 0 EHADHO COc1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)ccc1C ZINC000161695086 1029265978 /nfs/dbraw/zinc/26/59/78/1029265978.db2.gz BHPRXWXWDDBRBG-UHFFFAOYSA-N 1 3 330.516 3.933 20 0 EHADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC(F)F ZINC000414813627 1029312027 /nfs/dbraw/zinc/31/20/27/1029312027.db2.gz UJNYFZGAQPYNQU-GFCCVEGCSA-N 1 3 336.382 3.606 20 0 EHADHO Cc1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000272383026 1029441514 /nfs/dbraw/zinc/44/15/14/1029441514.db2.gz FMQAWFVAQAEREX-OWZKRDHZSA-N 1 3 341.524 3.779 20 0 EHADHO Cc1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000272383026 1029441523 /nfs/dbraw/zinc/44/15/23/1029441523.db2.gz FMQAWFVAQAEREX-OWZKRDHZSA-N 1 3 341.524 3.779 20 0 EHADHO Nc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000261710769 1029486852 /nfs/dbraw/zinc/48/68/52/1029486852.db2.gz PPJBXYZNAAHPTC-QFIPXVFZSA-N 1 3 335.495 3.757 20 0 EHADHO Nc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000261710769 1029486858 /nfs/dbraw/zinc/48/68/58/1029486858.db2.gz PPJBXYZNAAHPTC-QFIPXVFZSA-N 1 3 335.495 3.757 20 0 EHADHO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000272704973 1029572649 /nfs/dbraw/zinc/57/26/49/1029572649.db2.gz TWJAXPNLCQYSBB-RTBURBONSA-N 1 3 341.543 3.898 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)on1 ZINC000453219604 1029931353 /nfs/dbraw/zinc/93/13/53/1029931353.db2.gz WHDNWJAFXDNZTI-PWRODBHTSA-N 1 3 339.483 3.558 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)on1 ZINC000453219604 1029931368 /nfs/dbraw/zinc/93/13/68/1029931368.db2.gz WHDNWJAFXDNZTI-PWRODBHTSA-N 1 3 339.483 3.558 20 0 EHADHO COc1ccc(-c2ccncc2)cc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712147 1030069831 /nfs/dbraw/zinc/06/98/31/1030069831.db2.gz SJUHPCCLYCDJBT-JXFKEZNVSA-N 1 3 339.483 3.707 20 0 EHADHO COc1cccnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453356186 1030149697 /nfs/dbraw/zinc/14/96/97/1030149697.db2.gz HYGXRGQWCXXFKQ-UHFFFAOYSA-N 1 3 339.483 3.623 20 0 EHADHO COc1cccnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453356186 1030149708 /nfs/dbraw/zinc/14/97/08/1030149708.db2.gz HYGXRGQWCXXFKQ-UHFFFAOYSA-N 1 3 339.483 3.623 20 0 EHADHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000453382867 1030163969 /nfs/dbraw/zinc/16/39/69/1030163969.db2.gz YOKRYNURWHZKDB-DKUWSORSSA-N 1 3 335.495 3.984 20 0 EHADHO COC(=O)c1cccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000482151904 1030229194 /nfs/dbraw/zinc/22/91/94/1030229194.db2.gz UQNBZMNSLOQZMU-UHFFFAOYSA-N 1 3 344.499 3.561 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000482346970 1030346129 /nfs/dbraw/zinc/34/61/29/1030346129.db2.gz BXFOAISSNRFWBY-HZPDHXFCSA-N 1 3 343.515 3.687 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000532193256 1030468208 /nfs/dbraw/zinc/46/82/08/1030468208.db2.gz ZGFILASENDKSOD-IEBWSBKVSA-N 1 3 348.531 3.940 20 0 EHADHO CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000532229345 1030492739 /nfs/dbraw/zinc/49/27/39/1030492739.db2.gz VXELFGFOKORYQX-IRXDYDNUSA-N 1 3 344.503 3.816 20 0 EHADHO CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000093688733 1030661563 /nfs/dbraw/zinc/66/15/63/1030661563.db2.gz UAAZJQVUAVKUMA-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000093688781 1030662681 /nfs/dbraw/zinc/66/26/81/1030662681.db2.gz DCQMZYXHQJVKOK-UHFFFAOYSA-N 1 3 344.528 3.759 20 0 EHADHO CC(C)[C@H](COCc1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650754443 1030738588 /nfs/dbraw/zinc/73/85/88/1030738588.db2.gz JEZBQQFDFMBQQK-FQEVSTJZSA-N 1 3 330.447 3.615 20 0 EHADHO CCC[NH+]1CCC(NCCc2cnc(SC3CCCC3)nc2)CC1 ZINC000550919522 1030799894 /nfs/dbraw/zinc/79/98/94/1030799894.db2.gz QQVNBIVJFWADJY-UHFFFAOYSA-N 1 3 348.560 3.518 20 0 EHADHO CCc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000537660371 1030913163 /nfs/dbraw/zinc/91/31/63/1030913163.db2.gz BWBSOTPMGMVFCI-CALCHBBNSA-N 1 3 334.504 3.553 20 0 EHADHO CCc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000537660371 1030913175 /nfs/dbraw/zinc/91/31/75/1030913175.db2.gz BWBSOTPMGMVFCI-CALCHBBNSA-N 1 3 334.504 3.553 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000537660371 1030913188 /nfs/dbraw/zinc/91/31/88/1030913188.db2.gz BWBSOTPMGMVFCI-CALCHBBNSA-N 1 3 334.504 3.553 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CCCC2 ZINC000872037380 1030919892 /nfs/dbraw/zinc/91/98/92/1030919892.db2.gz BDUZXIWLAWJRTP-UWWQBHOKSA-N 1 3 332.488 3.544 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CCCC2 ZINC000872037380 1030919909 /nfs/dbraw/zinc/91/99/09/1030919909.db2.gz BDUZXIWLAWJRTP-UWWQBHOKSA-N 1 3 332.488 3.544 20 0 EHADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000926905035 1031041079 /nfs/dbraw/zinc/04/10/79/1031041079.db2.gz LAYLCCSMTFTASO-HOTGVXAUSA-N 1 3 336.442 3.587 20 0 EHADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc(C(F)(F)F)c1 ZINC000527664424 1031090289 /nfs/dbraw/zinc/09/02/89/1031090289.db2.gz BITSHNCHCIZDKA-MQVJKMGUSA-N 1 3 342.405 3.819 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000484146908 1031468530 /nfs/dbraw/zinc/46/85/30/1031468530.db2.gz RIGPAUOFDPIHRE-CQSZACIVSA-N 1 3 348.487 3.662 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC23CC(C2)CO3)cc1CN1CCCCC1 ZINC000527978399 1031515179 /nfs/dbraw/zinc/51/51/79/1031515179.db2.gz CFZKYZHZLJWLSY-ZGGTZUKQSA-N 1 3 344.499 3.511 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCC)[C@@H](C)C1 ZINC000484637636 1031807064 /nfs/dbraw/zinc/80/70/64/1031807064.db2.gz JGYODJZOKITTTN-AZUAARDMSA-N 1 3 348.531 3.620 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC000182062612 1032056488 /nfs/dbraw/zinc/05/64/88/1032056488.db2.gz XTXIEPSODGOIEV-INIZCTEOSA-N 1 3 339.483 3.948 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC000182062612 1032056502 /nfs/dbraw/zinc/05/65/02/1032056502.db2.gz XTXIEPSODGOIEV-INIZCTEOSA-N 1 3 339.483 3.948 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470039 1033366508 /nfs/dbraw/zinc/36/65/08/1033366508.db2.gz JOIUNGUEXJWLGE-ZBFHGGJFSA-N 1 3 326.431 3.677 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470039 1033366509 /nfs/dbraw/zinc/36/65/09/1033366509.db2.gz JOIUNGUEXJWLGE-ZBFHGGJFSA-N 1 3 326.431 3.677 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)C(F)F ZINC000658166969 1034029080 /nfs/dbraw/zinc/02/90/80/1034029080.db2.gz WRZVCGLVSPGXFM-AWEZNQCLSA-N 1 3 325.447 3.563 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168070 1034032196 /nfs/dbraw/zinc/03/21/96/1034032196.db2.gz RSTQCPDPGCAHSF-KRWDZBQOSA-N 1 3 339.483 3.653 20 0 EHADHO Cc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1F ZINC000119394694 1034141295 /nfs/dbraw/zinc/14/12/95/1034141295.db2.gz WOYGDOSOGWFSBP-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc(C(F)(F)F)c1 ZINC000529565406 1034214309 /nfs/dbraw/zinc/21/43/09/1034214309.db2.gz JNDMSAXBMQKNLS-XYPWUTKMSA-N 1 3 342.405 3.771 20 0 EHADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc(C(F)(F)F)c1 ZINC000529565406 1034214318 /nfs/dbraw/zinc/21/43/18/1034214318.db2.gz JNDMSAXBMQKNLS-XYPWUTKMSA-N 1 3 342.405 3.771 20 0 EHADHO COc1cccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1C ZINC000658354263 1034236381 /nfs/dbraw/zinc/23/63/81/1034236381.db2.gz UPBIERWFIDEUDS-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO c1cnc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000421832770 1034246229 /nfs/dbraw/zinc/24/62/29/1034246229.db2.gz NAJAHFAKYLLXQI-GOSISDBHSA-N 1 3 327.516 3.716 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686675 1034288954 /nfs/dbraw/zinc/28/89/54/1034288954.db2.gz VGQUUMIGCCBAAR-ZIBCJSCZSA-N 1 3 330.516 3.959 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686675 1034288965 /nfs/dbraw/zinc/28/89/65/1034288965.db2.gz VGQUUMIGCCBAAR-ZIBCJSCZSA-N 1 3 330.516 3.959 20 0 EHADHO [NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC1CCCC1 ZINC000171662807 1034559902 /nfs/dbraw/zinc/55/99/02/1034559902.db2.gz UHGIGWFKQMSZFA-UHFFFAOYSA-N 1 3 348.922 3.609 20 0 EHADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001168169500 1036041497 /nfs/dbraw/zinc/04/14/97/1036041497.db2.gz YOYKHXGVXHBHCP-MRXNPFEDSA-N 1 3 343.902 3.702 20 0 EHADHO CC(C)CCN1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000924576869 1036353090 /nfs/dbraw/zinc/35/30/90/1036353090.db2.gz ZSWCGHJTIOABJV-UHFFFAOYSA-N 1 3 328.504 3.527 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)c3cccnc3)CC2)C1 ZINC000414325295 1036689359 /nfs/dbraw/zinc/68/93/59/1036689359.db2.gz CPTFCJNYZXRFCM-PXNSSMCTSA-N 1 3 329.532 3.992 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@H](C)O1 ZINC000539408179 1036728797 /nfs/dbraw/zinc/72/87/97/1036728797.db2.gz GRGYORYPMCFJKK-SFNKJDCFSA-N 1 3 344.499 3.520 20 0 EHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464866106 1036924678 /nfs/dbraw/zinc/92/46/78/1036924678.db2.gz OMZCEROYJCWRRS-XRXFAXGQSA-N 1 3 335.580 3.693 20 0 EHADHO COC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000590658980 1036996096 /nfs/dbraw/zinc/99/60/96/1036996096.db2.gz YDQKKEYCMOQXSE-SJORKVTESA-N 1 3 338.536 3.597 20 0 EHADHO CN1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000414370495 1037053925 /nfs/dbraw/zinc/05/39/25/1037053925.db2.gz WLDILIMVQRXTLX-FGZHOGPDSA-N 1 3 341.543 3.819 20 0 EHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000647552188 1037153560 /nfs/dbraw/zinc/15/35/60/1037153560.db2.gz LBFDSJJGHXZMCM-HUUCEWRRSA-N 1 3 344.503 3.529 20 0 EHADHO Clc1cccc(-c2cnc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328384 1037469942 /nfs/dbraw/zinc/46/99/42/1037469942.db2.gz KNWQDQRNHBQNCF-JKSUJKDBSA-N 1 3 345.874 3.817 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000540170739 1037638637 /nfs/dbraw/zinc/63/86/37/1037638637.db2.gz VJCAUEPLLOTPGQ-QRVBRYPASA-N 1 3 332.532 3.832 20 0 EHADHO CC(C)CCN1CCC([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000925273235 1037681165 /nfs/dbraw/zinc/68/11/65/1037681165.db2.gz XHNYXXOBVJOYFA-QUCCMNQESA-N 1 3 332.532 3.641 20 0 EHADHO Cc1nc2ccc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)cc2s1 ZINC000494015592 1037776926 /nfs/dbraw/zinc/77/69/26/1037776926.db2.gz GGKCYHKUFJOEKB-GJZGRUSLSA-N 1 3 347.528 3.584 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397177 1037910376 /nfs/dbraw/zinc/91/03/76/1037910376.db2.gz IZJDYMBNHSJCSI-SXLOBPIMSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397177 1037910388 /nfs/dbraw/zinc/91/03/88/1037910388.db2.gz IZJDYMBNHSJCSI-SXLOBPIMSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397174 1037910700 /nfs/dbraw/zinc/91/07/00/1037910700.db2.gz IZJDYMBNHSJCSI-RLLQIKCJSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397174 1037910713 /nfs/dbraw/zinc/91/07/13/1037910713.db2.gz IZJDYMBNHSJCSI-RLLQIKCJSA-N 1 3 340.515 3.762 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000125165014 1038285453 /nfs/dbraw/zinc/28/54/53/1038285453.db2.gz VCHAIUZPCXIZEM-YLJYHZDGSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000125165014 1038285470 /nfs/dbraw/zinc/28/54/70/1038285470.db2.gz VCHAIUZPCXIZEM-YLJYHZDGSA-N 1 3 348.494 3.657 20 0 EHADHO OC1(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000552063658 1038929744 /nfs/dbraw/zinc/92/97/44/1038929744.db2.gz HPJGIGLXXVOUOD-NJDAHSKKSA-N 1 3 342.527 3.572 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000363922791 1038953115 /nfs/dbraw/zinc/95/31/15/1038953115.db2.gz FTVCUTWXLWKDCI-ZSYWTGECSA-N 1 3 344.547 3.689 20 0 EHADHO C[N@H+]1CC=C(CNCc2cc3cc(Br)ccc3o2)CC1 ZINC000570106832 1039030622 /nfs/dbraw/zinc/03/06/22/1039030622.db2.gz HRZMNGHGMMEKRO-UHFFFAOYSA-N 1 3 335.245 3.547 20 0 EHADHO C[N@@H+]1CC=C(CNCc2cc3cc(Br)ccc3o2)CC1 ZINC000570106832 1039030639 /nfs/dbraw/zinc/03/06/39/1039030639.db2.gz HRZMNGHGMMEKRO-UHFFFAOYSA-N 1 3 335.245 3.547 20 0 EHADHO c1ccc([C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]2CCOC2)cc1 ZINC000552525190 1039353327 /nfs/dbraw/zinc/35/33/27/1039353327.db2.gz HBJONUWGTQWGRJ-GHTZIAJQSA-N 1 3 328.500 3.761 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000660151867 1039385875 /nfs/dbraw/zinc/38/58/75/1039385875.db2.gz XIPMNZKACUMHQI-LJQANCHMSA-N 1 3 335.580 3.693 20 0 EHADHO Cc1cc(Cl)cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000549778791 1039843779 /nfs/dbraw/zinc/84/37/79/1039843779.db2.gz HPYNMAWYMKZQMK-RBUKOAKNSA-N 1 3 336.907 3.506 20 0 EHADHO COCc1csc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000667501905 1040311253 /nfs/dbraw/zinc/31/12/53/1040311253.db2.gz OKEOVGRNOHEMPK-UHFFFAOYSA-N 1 3 336.545 3.983 20 0 EHADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512629641 1040332681 /nfs/dbraw/zinc/33/26/81/1040332681.db2.gz JRMVZWZMOFBJKF-WHCFWRGISA-N 1 3 342.527 3.834 20 0 EHADHO CC[C@@H](CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663213 1040426367 /nfs/dbraw/zinc/42/63/67/1040426367.db2.gz IFDZNJSXQLJNLW-HBMCJLEFSA-N 1 3 343.559 3.671 20 0 EHADHO CC[C@@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663213 1040426370 /nfs/dbraw/zinc/42/63/70/1040426370.db2.gz IFDZNJSXQLJNLW-HBMCJLEFSA-N 1 3 343.559 3.671 20 0 EHADHO CCCn1c2ccccc2nc1CNCCCCC[NH+]1CCCC1 ZINC000549874997 1040697139 /nfs/dbraw/zinc/69/71/39/1040697139.db2.gz ZKSCNGFOZBCZQO-UHFFFAOYSA-N 1 3 328.504 3.802 20 0 EHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)C1 ZINC000651928344 1042202443 /nfs/dbraw/zinc/20/24/43/1042202443.db2.gz DFEKCFYFABQAGI-MAODMQOUSA-N 1 3 334.548 3.824 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741631 1042602716 /nfs/dbraw/zinc/60/27/16/1042602716.db2.gz MVJGSWJTSVYYKY-MAZHCROVSA-N 1 3 325.294 3.973 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000221741631 1042602718 /nfs/dbraw/zinc/60/27/18/1042602718.db2.gz MVJGSWJTSVYYKY-MAZHCROVSA-N 1 3 325.294 3.973 20 0 EHADHO Fc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662295583 1042664049 /nfs/dbraw/zinc/66/40/49/1042664049.db2.gz HCAVHUVPJJKJON-KRWDZBQOSA-N 1 3 343.446 3.692 20 0 EHADHO C[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)[C@@H]1CCC[NH3+] ZINC000662313806 1042682006 /nfs/dbraw/zinc/68/20/06/1042682006.db2.gz MUYRYDGXQGUHPY-RHSMWYFYSA-N 1 3 330.501 3.545 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663471815 1042902727 /nfs/dbraw/zinc/90/27/27/1042902727.db2.gz YMCMXKSBYNTTIP-SJLPKXTDSA-N 1 3 340.515 3.596 20 0 EHADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925778577 1042909848 /nfs/dbraw/zinc/90/98/48/1042909848.db2.gz JVVSIKASLUFBMQ-GDBMZVCRSA-N 1 3 326.431 3.617 20 0 EHADHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000925780776 1042930758 /nfs/dbraw/zinc/93/07/58/1042930758.db2.gz GPKKPOAPNSLKLP-GXFFZTMASA-N 1 3 332.847 3.711 20 0 EHADHO CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001167834580 1043023689 /nfs/dbraw/zinc/02/36/89/1043023689.db2.gz KVUVWVXWIFIHEW-HKUYNNGSSA-N 1 3 331.504 3.600 20 0 EHADHO CC1(C)C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000310513343 1043621023 /nfs/dbraw/zinc/62/10/23/1043621023.db2.gz KMERIUGAJZLVRI-WOJBJXKFSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430478 1044068924 /nfs/dbraw/zinc/06/89/24/1044068924.db2.gz GOIBPEDRJMFRFF-VKJFTORMSA-N 1 3 343.446 3.831 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)[C@H](C)C1 ZINC000279524183 1044181452 /nfs/dbraw/zinc/18/14/52/1044181452.db2.gz OPOOYRKSWLKIMO-QAPCUYQASA-N 1 3 343.446 3.833 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000155041205 1125778278 /nfs/dbraw/zinc/77/82/78/1125778278.db2.gz KLRULSUVLJSOIW-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000155041205 1125778287 /nfs/dbraw/zinc/77/82/87/1125778287.db2.gz KLRULSUVLJSOIW-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000622543637 1126718568 /nfs/dbraw/zinc/71/85/68/1126718568.db2.gz OKKLDDATBFZUGA-FQEVSTJZSA-N 1 3 343.515 3.526 20 0 EHADHO CC(C)[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342207 1126922124 /nfs/dbraw/zinc/92/21/24/1126922124.db2.gz LUAWJMHLOKFSGT-VQIMIIECSA-N 1 3 332.488 3.617 20 0 EHADHO CC(C)[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342207 1126922127 /nfs/dbraw/zinc/92/21/27/1126922127.db2.gz LUAWJMHLOKFSGT-VQIMIIECSA-N 1 3 332.488 3.617 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1OC ZINC000623357314 1126931500 /nfs/dbraw/zinc/93/15/00/1126931500.db2.gz IPQTZXQNMPIISR-KRWDZBQOSA-N 1 3 334.504 3.837 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623449292 1126958628 /nfs/dbraw/zinc/95/86/28/1126958628.db2.gz PSMXLMXRFGKDBB-JYRKZWEQSA-N 1 3 343.559 3.605 20 0 EHADHO CN1CC[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537877 1126979659 /nfs/dbraw/zinc/97/96/59/1126979659.db2.gz MBIZJVBFCCKMHE-HOTGVXAUSA-N 1 3 344.421 3.591 20 0 EHADHO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185724805 1126994332 /nfs/dbraw/zinc/99/43/32/1126994332.db2.gz STQZZMKSLNHBFG-PKOBYXMFSA-N 1 3 341.499 3.570 20 0 EHADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)ccc1OC(F)F ZINC000624119745 1127255138 /nfs/dbraw/zinc/25/51/38/1127255138.db2.gz IOVBDIPWJWVSLM-ZIAGYGMSSA-N 1 3 342.430 3.679 20 0 EHADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCc2cc(F)ccc21 ZINC000182683515 1127342816 /nfs/dbraw/zinc/34/28/16/1127342816.db2.gz MNTYLYDQTFHANJ-FQEVSTJZSA-N 1 3 342.458 3.933 20 0 EHADHO COc1ccccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000386072652 1127625228 /nfs/dbraw/zinc/62/52/28/1127625228.db2.gz GHHVIEOJSOUIBM-PZJWPPBQSA-N 1 3 336.479 3.649 20 0 EHADHO COc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000386072652 1127625229 /nfs/dbraw/zinc/62/52/29/1127625229.db2.gz GHHVIEOJSOUIBM-PZJWPPBQSA-N 1 3 336.479 3.649 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000765508191 1127627640 /nfs/dbraw/zinc/62/76/40/1127627640.db2.gz WUQBLIIKDBOPCU-UHFFFAOYSA-N 1 3 325.456 3.698 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC[N@H+](C2CCCC2)CC1 ZINC000765508191 1127627643 /nfs/dbraw/zinc/62/76/43/1127627643.db2.gz WUQBLIIKDBOPCU-UHFFFAOYSA-N 1 3 325.456 3.698 20 0 EHADHO CC[NH+]1CCC(CNCc2cc(Cl)ccc2Br)CC1 ZINC000090251155 1128442206 /nfs/dbraw/zinc/44/22/06/1128442206.db2.gz FZWMHVWMIDNUCL-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO Cc1cccc(C)c1C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000303790762 1128696780 /nfs/dbraw/zinc/69/67/80/1128696780.db2.gz UWXNXSFLOWBDBA-KDURUIRLSA-N 1 3 330.516 3.625 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000191565457 1120678390 /nfs/dbraw/zinc/67/83/90/1120678390.db2.gz VULXPXYBARUDOD-FQEVSTJZSA-N 1 3 331.548 3.780 20 0 EHADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1Br ZINC000227496981 1120888015 /nfs/dbraw/zinc/88/80/15/1120888015.db2.gz AEGLLZKGGQPSKX-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](CN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000494879902 1120891308 /nfs/dbraw/zinc/89/13/08/1120891308.db2.gz BSOHSIJHUYCCTA-AHRSYUTCSA-N 1 3 334.479 3.757 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2C)C2CCCC2)CC1 ZINC000494923099 1120905989 /nfs/dbraw/zinc/90/59/89/1120905989.db2.gz KWPDRLZGMICSAT-QFIPXVFZSA-N 1 3 343.559 3.844 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494922622 1120906833 /nfs/dbraw/zinc/90/68/33/1120906833.db2.gz JZDQZXFXGMYRIH-ZHALLVOQSA-N 1 3 347.551 3.774 20 0 EHADHO C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000282111059 1121348669 /nfs/dbraw/zinc/34/86/69/1121348669.db2.gz AFICCHYAHIJWMK-BBWFWOEESA-N 1 3 337.511 3.878 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccsc2)CC1 ZINC000236800497 1121463240 /nfs/dbraw/zinc/46/32/40/1121463240.db2.gz SBFOEPQFUJXGIX-UHFFFAOYSA-N 1 3 343.540 3.612 20 0 EHADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706362 1128995827 /nfs/dbraw/zinc/99/58/27/1128995827.db2.gz XBIRYVOPDZDCQB-ISTRZQFTSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706362 1128995828 /nfs/dbraw/zinc/99/58/28/1128995828.db2.gz XBIRYVOPDZDCQB-ISTRZQFTSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000171765938 1121752122 /nfs/dbraw/zinc/75/21/22/1121752122.db2.gz UODLGVSVTNQYFY-MRXNPFEDSA-N 1 3 328.456 3.574 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623375 1129028748 /nfs/dbraw/zinc/02/87/48/1129028748.db2.gz SLDVHHHKULVNSS-FSSWDIPSSA-N 1 3 343.559 3.704 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000672623375 1129028752 /nfs/dbraw/zinc/02/87/52/1129028752.db2.gz SLDVHHHKULVNSS-FSSWDIPSSA-N 1 3 343.559 3.704 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC000134159136 1123497400 /nfs/dbraw/zinc/49/74/00/1123497400.db2.gz BYVFMWMUVIGSFZ-UHFFFAOYSA-N 1 3 328.504 3.587 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC000134159136 1123497403 /nfs/dbraw/zinc/49/74/03/1123497403.db2.gz BYVFMWMUVIGSFZ-UHFFFAOYSA-N 1 3 328.504 3.587 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880989 1124629175 /nfs/dbraw/zinc/62/91/75/1124629175.db2.gz BPSLQXDMJCCRSN-NCXUSEDFSA-N 1 3 349.588 3.839 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000247880989 1124629178 /nfs/dbraw/zinc/62/91/78/1124629178.db2.gz BPSLQXDMJCCRSN-NCXUSEDFSA-N 1 3 349.588 3.839 20 0 EHADHO C(N1CCC2(CCCC2)C1)C1(C[N@@H+]2CCC3(CCCC3)C2)COC1 ZINC000182201762 1125210467 /nfs/dbraw/zinc/21/04/67/1125210467.db2.gz IREANPLDWKMHEJ-UHFFFAOYSA-N 1 3 332.532 3.535 20 0 EHADHO C(N1CCC2(CCCC2)C1)C1(C[N@H+]2CCC3(CCCC3)C2)COC1 ZINC000182201762 1125210472 /nfs/dbraw/zinc/21/04/72/1125210472.db2.gz IREANPLDWKMHEJ-UHFFFAOYSA-N 1 3 332.532 3.535 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000658041959 1130082956 /nfs/dbraw/zinc/08/29/56/1130082956.db2.gz MWIWOZFXISKKGG-IPELMVKDSA-N 1 3 335.451 3.824 20 0 EHADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565426 1131774437 /nfs/dbraw/zinc/77/44/37/1131774437.db2.gz YEGYTIHYYFTHFJ-CEMLEFRQSA-N 1 3 342.527 3.898 20 0 EHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001172827650 1131854606 /nfs/dbraw/zinc/85/46/06/1131854606.db2.gz DKAOMHYHJHXBRJ-QHCPKHFHSA-N 1 3 349.522 3.749 20 0 EHADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001169068620 1132650872 /nfs/dbraw/zinc/65/08/72/1132650872.db2.gz REPWDQYFMRDNET-FKBYEOEOSA-N 1 3 344.543 3.877 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC001169127979 1132665798 /nfs/dbraw/zinc/66/57/98/1132665798.db2.gz AWLYSDDVPFRMSK-BJWYYQGGSA-N 1 3 343.446 3.772 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC001169127979 1132665801 /nfs/dbraw/zinc/66/58/01/1132665801.db2.gz AWLYSDDVPFRMSK-BJWYYQGGSA-N 1 3 343.446 3.772 20 0 EHADHO CCC1(N2CCCCC2)CC[NH+](C[Si](C)(C)c2ccccc2)CC1 ZINC001175758599 1132758966 /nfs/dbraw/zinc/75/89/66/1132758966.db2.gz QCWCJPLVBQKUJA-UHFFFAOYSA-N 1 3 344.619 3.872 20 0 EHADHO C[C@@H]1CNCC[N@H+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001206276878 1132959609 /nfs/dbraw/zinc/95/96/09/1132959609.db2.gz KZMYLOODMAPUQZ-QGZVFWFLSA-N 1 3 333.479 3.887 20 0 EHADHO C[C@@H]1CNCC[N@@H+](Cc2c3ccccc3n(C)c2-c2ccccc2)C1 ZINC001206276878 1132959613 /nfs/dbraw/zinc/95/96/13/1132959613.db2.gz KZMYLOODMAPUQZ-QGZVFWFLSA-N 1 3 333.479 3.887 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1ccccc1N(C)C ZINC001177127974 1133030246 /nfs/dbraw/zinc/03/02/46/1133030246.db2.gz YWHSKRRXLDPUFF-UHFFFAOYSA-N 1 3 325.500 3.884 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2c(c1)OCCO2 ZINC000067668403 1133064763 /nfs/dbraw/zinc/06/47/63/1133064763.db2.gz PBVTWYNBUAVZGH-UHFFFAOYSA-N 1 3 340.467 3.588 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2c(c1)OCCO2 ZINC000067668403 1133064767 /nfs/dbraw/zinc/06/47/67/1133064767.db2.gz PBVTWYNBUAVZGH-UHFFFAOYSA-N 1 3 340.467 3.588 20 0 EHADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(F)ccc2Br)CC1 ZINC001206305228 1133077712 /nfs/dbraw/zinc/07/77/12/1133077712.db2.gz WSTZAHCJBOXKEK-OAHLLOKOSA-N 1 3 329.257 3.539 20 0 EHADHO CC(C)Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC001178169755 1133144254 /nfs/dbraw/zinc/14/42/54/1133144254.db2.gz ARGCWWPJSWLLEP-FGZHOGPDSA-N 1 3 344.543 3.743 20 0 EHADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001183095265 1133768407 /nfs/dbraw/zinc/76/84/07/1133768407.db2.gz NVJMBSWSGNUPDS-IPMKNSEASA-N 1 3 334.548 3.824 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001184135185 1133897454 /nfs/dbraw/zinc/89/74/54/1133897454.db2.gz MNWXHUNYLRZBQV-GXTWGEPZSA-N 1 3 343.298 3.692 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881064 1134098352 /nfs/dbraw/zinc/09/83/52/1134098352.db2.gz OSSDZCRPJVSWMV-LEWJYISDSA-N 1 3 326.484 3.667 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881064 1134098358 /nfs/dbraw/zinc/09/83/58/1134098358.db2.gz OSSDZCRPJVSWMV-LEWJYISDSA-N 1 3 326.484 3.667 20 0 EHADHO C[C@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134818 1134410702 /nfs/dbraw/zinc/41/07/02/1134410702.db2.gz DUSQKDHKQYTTAA-AGOPTVSRSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134818 1134410705 /nfs/dbraw/zinc/41/07/05/1134410705.db2.gz DUSQKDHKQYTTAA-AGOPTVSRSA-N 1 3 346.559 3.636 20 0 EHADHO CC(C)(C[NH2+][C@H](c1ccccc1)C1CCOCC1)CN1CCCC1 ZINC000790751162 1134462266 /nfs/dbraw/zinc/46/22/66/1134462266.db2.gz SXMIXJZHCSVNKV-HXUWFJFHSA-N 1 3 330.516 3.866 20 0 EHADHO CC(C)(CN[C@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000790751162 1134462271 /nfs/dbraw/zinc/46/22/71/1134462271.db2.gz SXMIXJZHCSVNKV-HXUWFJFHSA-N 1 3 330.516 3.866 20 0 EHADHO C[N@H+](CCCN[C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775360663 1134665328 /nfs/dbraw/zinc/66/53/28/1134665328.db2.gz AEQGHMGFIDXVLA-IXDOHACOSA-N 1 3 328.591 3.610 20 0 EHADHO C[N@@H+](CCCN[C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCCCC1 ZINC000775360663 1134665332 /nfs/dbraw/zinc/66/53/32/1134665332.db2.gz AEQGHMGFIDXVLA-IXDOHACOSA-N 1 3 328.591 3.610 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1CN1CCCCC1 ZINC000775384422 1134696942 /nfs/dbraw/zinc/69/69/42/1134696942.db2.gz SSCOUWAHNLPMHE-XLIONFOSSA-N 1 3 346.515 3.901 20 0 EHADHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CCO1 ZINC001170191945 1134702998 /nfs/dbraw/zinc/70/29/98/1134702998.db2.gz CZFDZCLACLXTKF-OALUTQOASA-N 1 3 334.479 3.585 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1CN1CCCCC1 ZINC000775390444 1134706118 /nfs/dbraw/zinc/70/61/18/1134706118.db2.gz NHNCWMRFHWGCLK-DYESRHJHSA-N 1 3 346.515 3.758 20 0 EHADHO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775412676 1134751315 /nfs/dbraw/zinc/75/13/15/1134751315.db2.gz WDGMSUMEAQQTFE-YLJYHZDGSA-N 1 3 348.531 3.883 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600279 1134894786 /nfs/dbraw/zinc/89/47/86/1134894786.db2.gz DMHAEPOPJUQWII-RHSMWYFYSA-N 1 3 339.321 3.654 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2Br)[C@H](C)C1 ZINC001191600279 1134894790 /nfs/dbraw/zinc/89/47/90/1134894790.db2.gz DMHAEPOPJUQWII-RHSMWYFYSA-N 1 3 339.321 3.654 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC001192262453 1134990109 /nfs/dbraw/zinc/99/01/09/1134990109.db2.gz WQVVPWGGJPSQIW-FQEVSTJZSA-N 1 3 345.531 3.766 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC2=CCCOC2)cc1CN1CCCCC1 ZINC000806177895 1135411723 /nfs/dbraw/zinc/41/17/23/1135411723.db2.gz MGHAXOAUWOJKBU-QGZVFWFLSA-N 1 3 344.499 3.678 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)ccc1OC ZINC000850480935 1136267015 /nfs/dbraw/zinc/26/70/15/1136267015.db2.gz CTCJAMAGPVEPDJ-YJBOKZPZSA-N 1 3 334.504 3.755 20 0 EHADHO C[C@H](C[NH2+]Cc1ccc(OCc2ccccc2F)cc1)CN(C)C ZINC000813784433 1136361990 /nfs/dbraw/zinc/36/19/90/1136361990.db2.gz CHOICFJEAZTXPK-MRXNPFEDSA-N 1 3 330.447 3.692 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561479 1136795555 /nfs/dbraw/zinc/79/55/55/1136795555.db2.gz VRFQUTCSORFYJW-WIYYLYMNSA-N 1 3 343.515 3.731 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)ccn1 ZINC000856561479 1136795558 /nfs/dbraw/zinc/79/55/58/1136795558.db2.gz VRFQUTCSORFYJW-WIYYLYMNSA-N 1 3 343.515 3.731 20 0 EHADHO COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1SC(F)F ZINC000817969315 1136853893 /nfs/dbraw/zinc/85/38/93/1136853893.db2.gz BJLJQRLYHLJMHD-UHTWSYAYSA-N 1 3 330.444 3.930 20 0 EHADHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819042621 1136901484 /nfs/dbraw/zinc/90/14/84/1136901484.db2.gz KKIBJPDMEMQZPO-QGZVFWFLSA-N 1 3 345.314 3.881 20 0 EHADHO C[NH+](C)CC[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000819081291 1136906802 /nfs/dbraw/zinc/90/68/02/1136906802.db2.gz LDVPJIGLGOLNLX-HOTGVXAUSA-N 1 3 346.437 3.695 20 0 EHADHO CCC(CC)NC1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001246185370 1137061540 /nfs/dbraw/zinc/06/15/40/1137061540.db2.gz UHYNRAXHSUUOMF-UHFFFAOYSA-N 1 3 325.294 3.806 20 0 EHADHO Cc1c(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)ccnc1F ZINC000862353092 1137139394 /nfs/dbraw/zinc/13/93/94/1137139394.db2.gz TUTIZFXHAJBTNC-HXUWFJFHSA-N 1 3 327.447 3.531 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772904826 1137231247 /nfs/dbraw/zinc/23/12/47/1137231247.db2.gz RHCCUYMPHUQRSH-YWZLYKJASA-N 1 3 337.467 3.697 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772904826 1137231248 /nfs/dbraw/zinc/23/12/48/1137231248.db2.gz RHCCUYMPHUQRSH-YWZLYKJASA-N 1 3 337.467 3.697 20 0 EHADHO Cc1cc([C@@H](C)NCCC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000866469764 1137357595 /nfs/dbraw/zinc/35/75/95/1137357595.db2.gz KZXLIIYKNFORPN-GOSISDBHSA-N 1 3 340.515 3.681 20 0 EHADHO Fc1cc(F)c2c(c1)C[C@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001171354077 1137456910 /nfs/dbraw/zinc/45/69/10/1137456910.db2.gz JTEOXGCGVDJPAR-IAGOWNOFSA-N 1 3 334.454 3.819 20 0 EHADHO Fc1cc(F)c2c(c1)C[C@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC001171354077 1137456911 /nfs/dbraw/zinc/45/69/11/1137456911.db2.gz JTEOXGCGVDJPAR-IAGOWNOFSA-N 1 3 334.454 3.819 20 0 EHADHO CCOC(=O)CCC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171636985 1137504190 /nfs/dbraw/zinc/50/41/90/1137504190.db2.gz LJZDLAAJJQTGII-UHFFFAOYSA-N 1 3 338.536 3.693 20 0 EHADHO CC(=O)N1CCCCC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171638207 1137504590 /nfs/dbraw/zinc/50/45/90/1137504590.db2.gz WUFQRLMPEMEBKB-UHFFFAOYSA-N 1 3 349.563 3.505 20 0 EHADHO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171967834 1137520723 /nfs/dbraw/zinc/52/07/23/1137520723.db2.gz NNOVJHINXDMKFI-WOJBJXKFSA-N 1 3 329.532 3.504 20 0 EHADHO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1C ZINC001171972581 1137524103 /nfs/dbraw/zinc/52/41/03/1137524103.db2.gz RKDUKADUXIADGG-IBGZPJMESA-N 1 3 325.500 3.866 20 0 EHADHO CC1(C)C[C@H](N2CC[C@H]3CCCO[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979185 1137525781 /nfs/dbraw/zinc/52/57/81/1137525781.db2.gz CUEIBEKDYPUFGL-NJDAHSKKSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@H](N2CC[C@H]3CCCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979185 1137525783 /nfs/dbraw/zinc/52/57/83/1137525783.db2.gz CUEIBEKDYPUFGL-NJDAHSKKSA-N 1 3 342.527 3.931 20 0 EHADHO CCOC(=O)CC1(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980820 1137526611 /nfs/dbraw/zinc/52/66/11/1137526611.db2.gz XDIFSYOLOXMTFZ-GOSISDBHSA-N 1 3 344.499 3.505 20 0 EHADHO CCOC(=O)CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171980820 1137526612 /nfs/dbraw/zinc/52/66/12/1137526612.db2.gz XDIFSYOLOXMTFZ-GOSISDBHSA-N 1 3 344.499 3.505 20 0 EHADHO CCN1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172060872 1137528755 /nfs/dbraw/zinc/52/87/55/1137528755.db2.gz CXGZIZVOEPEDMP-KOUNCHBCSA-N 1 3 341.543 3.646 20 0 EHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001172326832 1137547647 /nfs/dbraw/zinc/54/76/47/1137547647.db2.gz BHWMKBZTNWFTHH-ROUUACIJSA-N 1 3 348.531 3.625 20 0 EHADHO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1C ZINC000873246881 1137595367 /nfs/dbraw/zinc/59/53/67/1137595367.db2.gz CQDYDTBGKKLLOR-QGZVFWFLSA-N 1 3 349.482 3.502 20 0 EHADHO COc1ccc([C@H](NC[C@H]2C[C@H]([NH3+])C2)c2ccccc2Cl)cc1 ZINC000873255468 1137595397 /nfs/dbraw/zinc/59/53/97/1137595397.db2.gz FXERGUPPMNODDU-RFUYNDQBSA-N 1 3 330.859 3.765 20 0 EHADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)CN1CCCCC1 ZINC000125638151 1137639476 /nfs/dbraw/zinc/63/94/76/1137639476.db2.gz AFJIYERAYVFFON-ROUUACIJSA-N 1 3 343.515 3.586 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000877189205 1137672471 /nfs/dbraw/zinc/67/24/71/1137672471.db2.gz LJGFNMJMBBYTFP-IPPNXFFKSA-N 1 3 344.480 3.952 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000877189204 1137672528 /nfs/dbraw/zinc/67/25/28/1137672528.db2.gz LJGFNMJMBBYTFP-HGFRQNNFSA-N 1 3 344.480 3.952 20 0 EHADHO C[NH+]1CCC(CNCc2ccnc(Cl)c2F)(c2ccccc2)CC1 ZINC000877718481 1137686888 /nfs/dbraw/zinc/68/68/88/1137686888.db2.gz KDUDXQOXTHNMCS-UHFFFAOYSA-N 1 3 347.865 3.627 20 0 EHADHO Fc1ccc([C@H](NC2CC[NH+](CC3CC3)CC2)C2CCOCC2)cc1 ZINC000883175101 1137847220 /nfs/dbraw/zinc/84/72/20/1137847220.db2.gz ZCBMDMKVPPULAF-NRFANRHFSA-N 1 3 346.490 3.757 20 0 EHADHO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC001202611174 1137883443 /nfs/dbraw/zinc/88/34/43/1137883443.db2.gz FTVPYHQWTUQSBF-QUCCMNQESA-N 1 3 331.548 3.750 20 0 EHADHO CC[NH+](CC)Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886495065 1138083360 /nfs/dbraw/zinc/08/33/60/1138083360.db2.gz GRYNFRCXELGBPM-FQEVSTJZSA-N 1 3 328.504 3.749 20 0 EHADHO CCC(CC)(CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534903 1138091944 /nfs/dbraw/zinc/09/19/44/1138091944.db2.gz RAEGEBCFJLYDAW-HBMCJLEFSA-N 1 3 344.543 3.818 20 0 EHADHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886534521 1138092176 /nfs/dbraw/zinc/09/21/76/1138092176.db2.gz KASZEMIQQBUUPN-FKVLARQCSA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccncc1 ZINC000886536690 1138092536 /nfs/dbraw/zinc/09/25/36/1138092536.db2.gz NBKOJYHAQYFQEK-YKWDRNOUSA-N 1 3 335.495 3.828 20 0 EHADHO Cc1cnccc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886556654 1138095822 /nfs/dbraw/zinc/09/58/22/1138095822.db2.gz HESRXKMIVBJJJG-BVSLBCMMSA-N 1 3 335.495 3.575 20 0 EHADHO O[C@@H](CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000886650080 1138106980 /nfs/dbraw/zinc/10/69/80/1138106980.db2.gz PEDKATICLPFQSQ-QESAQDPVSA-N 1 3 342.527 3.570 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1NC(C)=O ZINC000125966011 1138320177 /nfs/dbraw/zinc/32/01/77/1138320177.db2.gz AIGGZWMNRBGLGQ-LIRRHRJNSA-N 1 3 349.519 3.671 20 0 EHADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132856035 1138606814 /nfs/dbraw/zinc/60/68/14/1138606814.db2.gz QVBYQCXYLMJMSL-SJORKVTESA-N 1 3 342.483 3.893 20 0 EHADHO Cc1cnc([C@@H](C)NC/C=C\C[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000348490808 1138939174 /nfs/dbraw/zinc/93/91/74/1138939174.db2.gz JFCZBTAGWOIVHS-YOQOKRQFSA-N 1 3 336.530 3.774 20 0 EHADHO Cc1cnc([C@@H](C)[NH2+]C/C=C\CN[C@@H](C)c2ncc(C)s2)s1 ZINC000348490808 1138939179 /nfs/dbraw/zinc/93/91/79/1138939179.db2.gz JFCZBTAGWOIVHS-YOQOKRQFSA-N 1 3 336.530 3.774 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000183128008 1140015470 /nfs/dbraw/zinc/01/54/70/1140015470.db2.gz AYCGRFPNHSLLSC-BDTNDASRSA-N 1 3 335.495 3.514 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000192747423 1140548984 /nfs/dbraw/zinc/54/89/84/1140548984.db2.gz IAVYMJOWGVLRRE-WIYYLYMNSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000192747423 1140548989 /nfs/dbraw/zinc/54/89/89/1140548989.db2.gz IAVYMJOWGVLRRE-WIYYLYMNSA-N 1 3 347.522 3.625 20 0 EHADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000195449783 1140639420 /nfs/dbraw/zinc/63/94/20/1140639420.db2.gz CACCESZGKMQSSM-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000195449783 1140639425 /nfs/dbraw/zinc/63/94/25/1140639425.db2.gz CACCESZGKMQSSM-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO C[C@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1cc2ccccc2o1 ZINC000268796794 1140994030 /nfs/dbraw/zinc/99/40/30/1140994030.db2.gz HVYYDWNNFSLIQX-INIZCTEOSA-N 1 3 341.499 3.642 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000349135309 1141643460 /nfs/dbraw/zinc/64/34/60/1141643460.db2.gz YHXNKQUIEAEBJJ-SFHVURJKSA-N 1 3 341.524 3.974 20 0 EHADHO c1ccc(C2CC2)c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475729 1032069833 /nfs/dbraw/zinc/06/98/33/1032069833.db2.gz QHZWNWCMANAQQX-IRLDBZIGSA-N 1 3 334.463 3.910 20 0 EHADHO CCC[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000339678725 1015494564 /nfs/dbraw/zinc/49/45/64/1015494564.db2.gz SFALMEQVMPSAEH-INIZCTEOSA-N 1 3 345.314 3.881 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615857 1032173553 /nfs/dbraw/zinc/17/35/53/1032173553.db2.gz BIVDTYGUSFRWMQ-GCJKJVERSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615857 1032173569 /nfs/dbraw/zinc/17/35/69/1032173569.db2.gz BIVDTYGUSFRWMQ-GCJKJVERSA-N 1 3 338.495 3.976 20 0 EHADHO Cc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000449145384 1032247495 /nfs/dbraw/zinc/24/74/95/1032247495.db2.gz XOLBABPYEOZEDC-UHFFFAOYSA-N 1 3 330.497 3.821 20 0 EHADHO CCN1CCCC[C@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449145561 1032247961 /nfs/dbraw/zinc/24/79/61/1032247961.db2.gz YAJLYWAEKIJWIV-UGKGYDQZSA-N 1 3 343.559 3.546 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000449192084 1032287557 /nfs/dbraw/zinc/28/75/57/1032287557.db2.gz QKVUJDZESPXTRI-QGZVFWFLSA-N 1 3 332.536 3.536 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2c(s1)CCCC2 ZINC000536844824 1032340481 /nfs/dbraw/zinc/34/04/81/1032340481.db2.gz JOSPFBZUMWESRC-BMGDILEWSA-N 1 3 348.556 3.655 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000459704226 1032412656 /nfs/dbraw/zinc/41/26/56/1032412656.db2.gz PNCWJNQVFRORSI-GOSISDBHSA-N 1 3 328.500 3.549 20 0 EHADHO COc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000459704226 1032412659 /nfs/dbraw/zinc/41/26/59/1032412659.db2.gz PNCWJNQVFRORSI-GOSISDBHSA-N 1 3 328.500 3.549 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305340 1032425192 /nfs/dbraw/zinc/42/51/92/1032425192.db2.gz RZOXLJGGFALSIJ-PKOBYXMFSA-N 1 3 349.950 3.592 20 0 EHADHO COc1cccc(OCCCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000090060571 1032554524 /nfs/dbraw/zinc/55/45/24/1032554524.db2.gz SYOUIKIXNZXXDN-UHFFFAOYSA-N 1 3 346.515 3.851 20 0 EHADHO COc1cccc(OCCC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000090060571 1032554528 /nfs/dbraw/zinc/55/45/28/1032554528.db2.gz SYOUIKIXNZXXDN-UHFFFAOYSA-N 1 3 346.515 3.851 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CNCc2c(F)ccc(Br)c2F)CC1 ZINC000415018831 1017404393 /nfs/dbraw/zinc/40/43/93/1017404393.db2.gz CRUVYXCKCKGRDL-XYPYZODXSA-N 1 3 347.247 3.582 20 0 EHADHO CC[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccncc1 ZINC000163698204 1017464540 /nfs/dbraw/zinc/46/45/40/1017464540.db2.gz UOZIFTHQBBSYSL-OAQYLSRUSA-N 1 3 341.474 3.969 20 0 EHADHO Clc1cccc(OCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415074691 1017504228 /nfs/dbraw/zinc/50/42/28/1017504228.db2.gz APKFAQDFDGCRPX-MJGOQNOKSA-N 1 3 330.859 3.802 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415071564 1017514517 /nfs/dbraw/zinc/51/45/17/1017514517.db2.gz WOLFRCAHEHJBJF-DNVCBOLYSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415080445 1017519727 /nfs/dbraw/zinc/51/97/27/1017519727.db2.gz JJNBEAWBVWSWOU-BZPMIXESSA-N 1 3 343.284 3.639 20 0 EHADHO c1cnn(Cc2ccc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)c1 ZINC000415120201 1017581766 /nfs/dbraw/zinc/58/17/66/1017581766.db2.gz KXOYJSUNPIVAKZ-FGZHOGPDSA-N 1 3 346.478 3.514 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129996 1017594641 /nfs/dbraw/zinc/59/46/41/1017594641.db2.gz WCTMNNQGHJXOQP-APWZRJJASA-N 1 3 336.907 3.621 20 0 EHADHO COc1ccccc1N1CCC([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000631110030 1017962855 /nfs/dbraw/zinc/96/28/55/1017962855.db2.gz DNHMRQFEOYAVGD-GOSISDBHSA-N 1 3 345.531 3.518 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000655939163 1017967713 /nfs/dbraw/zinc/96/77/13/1017967713.db2.gz COPBDQQJPYCMMQ-CTNGQTDRSA-N 1 3 346.515 3.537 20 0 EHADHO CCC[NH+]1CCC(NC[C@@H](c2cccc(OC)c2)N(CC)CC)CC1 ZINC000135955752 1018452673 /nfs/dbraw/zinc/45/26/73/1018452673.db2.gz ALXLDRGIVVGRAT-NRFANRHFSA-N 1 3 347.547 3.542 20 0 EHADHO Cc1cncc([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000343851133 1018574241 /nfs/dbraw/zinc/57/42/41/1018574241.db2.gz HPIJIUVYXZRNAH-GOSISDBHSA-N 1 3 339.483 3.715 20 0 EHADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000501111106 1020711575 /nfs/dbraw/zinc/71/15/75/1020711575.db2.gz LUIBELNUJDQZHR-QFIPXVFZSA-N 1 3 343.559 3.802 20 0 EHADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000501111106 1020711581 /nfs/dbraw/zinc/71/15/81/1020711581.db2.gz LUIBELNUJDQZHR-QFIPXVFZSA-N 1 3 343.559 3.802 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccncc2)cc1 ZINC000156465245 1022313214 /nfs/dbraw/zinc/31/32/14/1022313214.db2.gz NTPXABVBMKCNBH-KRWDZBQOSA-N 1 3 327.472 3.653 20 0 EHADHO COc1cccc(-c2csc(CNCCCC[N@H+](C)C3CC3)n2)c1 ZINC000894806570 1022938585 /nfs/dbraw/zinc/93/85/85/1022938585.db2.gz FTAFUUPQICINDD-UHFFFAOYSA-N 1 3 345.512 3.783 20 0 EHADHO COc1cccc(-c2csc(CNCCCC[N@@H+](C)C3CC3)n2)c1 ZINC000894806570 1022938596 /nfs/dbraw/zinc/93/85/96/1022938596.db2.gz FTAFUUPQICINDD-UHFFFAOYSA-N 1 3 345.512 3.783 20 0 EHADHO COc1ccccc1[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984272 1023080834 /nfs/dbraw/zinc/08/08/34/1023080834.db2.gz MHNNDYWQOAAIDM-WRURNZQNSA-N 1 3 340.511 3.890 20 0 EHADHO COc1ccccc1[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984272 1023080839 /nfs/dbraw/zinc/08/08/39/1023080839.db2.gz MHNNDYWQOAAIDM-WRURNZQNSA-N 1 3 340.511 3.890 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000060816751 1023125570 /nfs/dbraw/zinc/12/55/70/1023125570.db2.gz IDMKPTKLNWQVKY-UHFFFAOYSA-N 1 3 326.484 3.943 20 0 EHADHO COc1ccccc1C[C@H](C)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003367 1024116421 /nfs/dbraw/zinc/11/64/21/1024116421.db2.gz ODDULKZJPSDTTG-XVSDAANHSA-N 1 3 342.527 3.963 20 0 EHADHO COc1ccccc1C[C@H](C)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003367 1024116425 /nfs/dbraw/zinc/11/64/25/1024116425.db2.gz ODDULKZJPSDTTG-XVSDAANHSA-N 1 3 342.527 3.963 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000324088236 1024185555 /nfs/dbraw/zinc/18/55/55/1024185555.db2.gz AJIXPTQDBHIUTI-GOSISDBHSA-N 1 3 334.504 3.867 20 0 EHADHO C[C@@H](NCc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414857888 1024500191 /nfs/dbraw/zinc/50/01/91/1024500191.db2.gz QKSQNBYWDPZSLN-SJLPKXTDSA-N 1 3 334.467 3.503 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2csc3ccccc23)C[C@H](C)O1 ZINC000067452767 1024572486 /nfs/dbraw/zinc/57/24/86/1024572486.db2.gz IYQMWVRPXPVABE-IYBDPMFKSA-N 1 3 332.513 3.880 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435126419 1024636809 /nfs/dbraw/zinc/63/68/09/1024636809.db2.gz MQRRRJFMBFAEFA-UHFFFAOYSA-N 1 3 330.476 3.614 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435126419 1024636815 /nfs/dbraw/zinc/63/68/15/1024636815.db2.gz MQRRRJFMBFAEFA-UHFFFAOYSA-N 1 3 330.476 3.614 20 0 EHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cncc(Br)c1 ZINC000514734361 1024708207 /nfs/dbraw/zinc/70/82/07/1024708207.db2.gz CJRKCIPMEHBUSY-ZDUSSCGKSA-N 1 3 340.309 3.617 20 0 EHADHO CN(CCCC[NH+]1CCCCC1)Cc1cnc(-c2ccncc2)s1 ZINC000895684033 1024732721 /nfs/dbraw/zinc/73/27/21/1024732721.db2.gz ZZIKKMXMMRUDPD-UHFFFAOYSA-N 1 3 344.528 3.903 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281388058 1024989631 /nfs/dbraw/zinc/98/96/31/1024989631.db2.gz XUOQFUGCNXXTLU-FQEVSTJZSA-N 1 3 327.447 3.913 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281388058 1024989645 /nfs/dbraw/zinc/98/96/45/1024989645.db2.gz XUOQFUGCNXXTLU-FQEVSTJZSA-N 1 3 327.447 3.913 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000346659589 1024996083 /nfs/dbraw/zinc/99/60/83/1024996083.db2.gz UVJQVGUSAZXKGL-UHFFFAOYSA-N 1 3 348.487 3.884 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000342402255 1025212996 /nfs/dbraw/zinc/21/29/96/1025212996.db2.gz CVYAJXWCRVRMRQ-BBWFWOEESA-N 1 3 343.515 3.523 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000342402255 1025213005 /nfs/dbraw/zinc/21/30/05/1025213005.db2.gz CVYAJXWCRVRMRQ-BBWFWOEESA-N 1 3 343.515 3.523 20 0 EHADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)N1CCCCC1 ZINC000346856183 1025245823 /nfs/dbraw/zinc/24/58/23/1025245823.db2.gz DUODZOCWOWHCGZ-ROUUACIJSA-N 1 3 326.488 3.787 20 0 EHADHO C[C@@H]1CC([NH2+][C@H]2CCCC[C@@H]2N(C)C)C[C@@H](C)N1Cc1ccccc1 ZINC001168014138 1025367118 /nfs/dbraw/zinc/36/71/18/1025367118.db2.gz KJBLCQIWYZPZSA-UBBRYJJRSA-N 1 3 343.559 3.890 20 0 EHADHO Cc1ccc(-c2ncc(CN3CCC([C@H]4CCC[NH2+]4)CC3)s2)o1 ZINC000347096247 1025493443 /nfs/dbraw/zinc/49/34/43/1025493443.db2.gz HQLWITYHRNCPEY-MRXNPFEDSA-N 1 3 331.485 3.676 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1(C)C ZINC000442876938 1025555318 /nfs/dbraw/zinc/55/53/18/1025555318.db2.gz SRMUCFHITWHQRV-IBGZPJMESA-N 1 3 331.548 3.780 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531343682 1026830593 /nfs/dbraw/zinc/83/05/93/1026830593.db2.gz UVFSCESBTQRGRN-KRWDZBQOSA-N 1 3 344.421 3.638 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456593 1027123523 /nfs/dbraw/zinc/12/35/23/1027123523.db2.gz LNPBTFPOAQGWHP-GFCCVEGCSA-N 1 3 337.389 3.761 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803119 1027128748 /nfs/dbraw/zinc/12/87/48/1027128748.db2.gz RKGFPDOHODCZTE-WMZOPIPTSA-N 1 3 332.488 3.619 20 0 EHADHO CN(c1ccccc1CN[C@@H]1CCCC[C@H]1F)C1CC[NH+](C)CC1 ZINC000419818310 1027195276 /nfs/dbraw/zinc/19/52/76/1027195276.db2.gz MJXAEHXFWCJGCX-RTBURBONSA-N 1 3 333.495 3.587 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000126720936 1027231930 /nfs/dbraw/zinc/23/19/30/1027231930.db2.gz RRXPLZCXGLLVAU-HSZRJFAPSA-N 1 3 349.522 3.520 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)CC1 ZINC000126733371 1027235911 /nfs/dbraw/zinc/23/59/11/1027235911.db2.gz TVEQZQVKVFWYPF-QHCPKHFHSA-N 1 3 349.522 3.601 20 0 EHADHO Cc1ncsc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453093311 1027353274 /nfs/dbraw/zinc/35/32/74/1027353274.db2.gz FSJCFIUXDVOAEH-IPMKNSEASA-N 1 3 341.524 3.984 20 0 EHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326687 1027478974 /nfs/dbraw/zinc/47/89/74/1027478974.db2.gz KHXFIBKOCBDUFM-KBAYOESNSA-N 1 3 325.456 3.724 20 0 EHADHO Fc1cc(Br)cc([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420363726 1027487211 /nfs/dbraw/zinc/48/72/11/1027487211.db2.gz CEABBJIRWFHEPZ-BLLLJJGKSA-N 1 3 341.268 3.725 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2sccc21 ZINC000453171964 1027493309 /nfs/dbraw/zinc/49/33/09/1027493309.db2.gz XZLOHBSPGANZAG-BVPBIZIASA-N 1 3 334.529 3.654 20 0 EHADHO CC1(C)CNCC[C@@H]1[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000420373411 1027496557 /nfs/dbraw/zinc/49/65/57/1027496557.db2.gz ZCMPZRFUSSXLDG-INIZCTEOSA-N 1 3 344.421 3.842 20 0 EHADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613499 1027632067 /nfs/dbraw/zinc/63/20/67/1027632067.db2.gz LSUDKQAOAZYAOA-NQIIRXRSSA-N 1 3 327.516 3.876 20 0 EHADHO Cc1nc(C)c(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000119832182 1027818462 /nfs/dbraw/zinc/81/84/62/1027818462.db2.gz WZWUWNLGSMDKKT-ZDUSSCGKSA-N 1 3 333.501 3.551 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000422741518 1027907942 /nfs/dbraw/zinc/90/79/42/1027907942.db2.gz OQOAPDPPGFHLOZ-LMCGPQHNSA-N 1 3 343.334 3.947 20 0 EHADHO C[C@@H]([NH2+]CCCCSc1ccccc1Br)C1CNC1 ZINC000422749918 1027918011 /nfs/dbraw/zinc/91/80/11/1027918011.db2.gz BLRSAQNUQKDADG-GFCCVEGCSA-N 1 3 343.334 3.519 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000422768803 1027925349 /nfs/dbraw/zinc/92/53/49/1027925349.db2.gz SHYLMBCJHGKQSD-MOPGFXCFSA-N 1 3 332.875 3.773 20 0 EHADHO CC[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422813941 1027963328 /nfs/dbraw/zinc/96/33/28/1027963328.db2.gz ZGKLKOFVHCOGNL-BVYCBKJFSA-N 1 3 335.495 3.558 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422823003 1027969185 /nfs/dbraw/zinc/96/91/85/1027969185.db2.gz CGBBRBODTKXELH-XLIONFOSSA-N 1 3 348.494 3.562 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422838249 1027977351 /nfs/dbraw/zinc/97/73/51/1027977351.db2.gz NUDCDIYEIFXYFB-YJYMSZOUSA-N 1 3 327.497 3.530 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000422835434 1027978519 /nfs/dbraw/zinc/97/85/19/1027978519.db2.gz IWIAGZQSIFNCBC-SIFORAMQSA-N 1 3 327.447 3.962 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000422854765 1027991898 /nfs/dbraw/zinc/99/18/98/1027991898.db2.gz CWXAKNPFVZTTOR-XMSQKQJNSA-N 1 3 338.495 3.881 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883947 1028014926 /nfs/dbraw/zinc/01/49/26/1028014926.db2.gz VZAKANHQFJPTCP-NMLBUPMWSA-N 1 3 345.531 3.625 20 0 EHADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881961 1028015303 /nfs/dbraw/zinc/01/53/03/1028015303.db2.gz RJVXSODFDPAEPO-HZPDHXFCSA-N 1 3 343.298 3.511 20 0 EHADHO COc1ccc(C[C@H](N[C@@H](C)C[C@H](C)[NH3+])c2ccccc2)cc1OC ZINC000422913124 1028046311 /nfs/dbraw/zinc/04/63/11/1028046311.db2.gz XVXHKARWXNWOTB-BXWFABGCSA-N 1 3 342.483 3.703 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422938993 1028067221 /nfs/dbraw/zinc/06/72/21/1028067221.db2.gz QMOZLNVESBHCIT-IRFCIJBXSA-N 1 3 338.426 3.659 20 0 EHADHO CO[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1cccc(Cl)c1 ZINC000422919031 1028072553 /nfs/dbraw/zinc/07/25/53/1028072553.db2.gz IWDKHKPTQOKSDN-KPZWWZAWSA-N 1 3 333.863 3.540 20 0 EHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422953102 1028092245 /nfs/dbraw/zinc/09/22/45/1028092245.db2.gz DBXIORXOBGXHFP-VAMGGRTRSA-N 1 3 345.556 3.568 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Sc1ccc(Br)cc1 ZINC000422959692 1028097798 /nfs/dbraw/zinc/09/77/98/1028097798.db2.gz TYQKXTONSWPWMU-LALPHHSUSA-N 1 3 343.334 3.647 20 0 EHADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000422959692 1028097809 /nfs/dbraw/zinc/09/78/09/1028097809.db2.gz TYQKXTONSWPWMU-LALPHHSUSA-N 1 3 343.334 3.647 20 0 EHADHO Clc1ccc(COCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423003329 1028115933 /nfs/dbraw/zinc/11/59/33/1028115933.db2.gz LSHAZPUMMDRWBN-IPMKNSEASA-N 1 3 336.907 3.757 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423015261 1028126905 /nfs/dbraw/zinc/12/69/05/1028126905.db2.gz QOVNTYLEKWXISF-LBPRGKRZSA-N 1 3 331.410 3.509 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000423026031 1028135540 /nfs/dbraw/zinc/13/55/40/1028135540.db2.gz MTUQCOQVZZNBKR-ZMYBRWDISA-N 1 3 327.859 3.653 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423115591 1028186300 /nfs/dbraw/zinc/18/63/00/1028186300.db2.gz NRVVBUHMQYUNEI-ZDUSSCGKSA-N 1 3 340.446 3.753 20 0 EHADHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423125407 1028191503 /nfs/dbraw/zinc/19/15/03/1028191503.db2.gz IAUZYUONHHANMI-OWCLPIDISA-N 1 3 341.421 3.543 20 0 EHADHO C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCC[C@H]3OC(F)F)CC2)C1 ZINC000503938206 1028241259 /nfs/dbraw/zinc/24/12/59/1028241259.db2.gz SHBLJYCANZXHEQ-RKTXRCNFSA-N 1 3 330.463 3.779 20 0 EHADHO NC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCCC1 ZINC000423209019 1028253506 /nfs/dbraw/zinc/25/35/06/1028253506.db2.gz ZLYNJUKSQOLUJC-QFBILLFUSA-N 1 3 334.479 3.935 20 0 EHADHO Brc1ccc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2ccco2)cc1 ZINC000423252812 1028315992 /nfs/dbraw/zinc/31/59/92/1028315992.db2.gz UUUPIAMVVGANPJ-SUMWQHHRSA-N 1 3 349.272 3.721 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](N)C(C)C)CCC3)cc1 ZINC000423275703 1028338472 /nfs/dbraw/zinc/33/84/72/1028338472.db2.gz NMHLSHRILBLTRX-HZPDHXFCSA-N 1 3 345.512 3.769 20 0 EHADHO CCCOc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)c(OCCC)c1 ZINC000423347835 1028360738 /nfs/dbraw/zinc/36/07/38/1028360738.db2.gz RISLILIAHZDIHQ-MRXNPFEDSA-N 1 3 332.488 3.835 20 0 EHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)s1 ZINC000423357954 1028385722 /nfs/dbraw/zinc/38/57/22/1028385722.db2.gz MRITUOAGIYWPCE-SNVBAGLBSA-N 1 3 337.286 3.965 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H](O)c1ccc(F)cc1 ZINC000237131397 1028410624 /nfs/dbraw/zinc/41/06/24/1028410624.db2.gz LAQIPLWAHCPDDR-HXUWFJFHSA-N 1 3 344.474 3.607 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H](O)c1ccc(F)cc1 ZINC000237131397 1028410631 /nfs/dbraw/zinc/41/06/31/1028410631.db2.gz LAQIPLWAHCPDDR-HXUWFJFHSA-N 1 3 344.474 3.607 20 0 EHADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423444909 1028432175 /nfs/dbraw/zinc/43/21/75/1028432175.db2.gz ROLVTYUPUBVION-JMPLFQLZSA-N 1 3 341.268 3.627 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@@H](C)[C@H](C)[NH3+])nc1 ZINC000423479966 1028464148 /nfs/dbraw/zinc/46/41/48/1028464148.db2.gz VSTQVNJLEXBRLG-AVYPCKFXSA-N 1 3 345.918 3.777 20 0 EHADHO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423516577 1028492133 /nfs/dbraw/zinc/49/21/33/1028492133.db2.gz YCVHXNRALBJCOE-HRAATJIYSA-N 1 3 334.467 3.785 20 0 EHADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000236697990 1028564213 /nfs/dbraw/zinc/56/42/13/1028564213.db2.gz UBASNPLKGSCEQA-NRFANRHFSA-N 1 3 341.543 3.530 20 0 EHADHO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000195136122 1028583931 /nfs/dbraw/zinc/58/39/31/1028583931.db2.gz MKRAVDUAGXPTEF-FXAWDEMLSA-N 1 3 340.515 3.945 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310223 1028774807 /nfs/dbraw/zinc/77/48/07/1028774807.db2.gz VIRVZZMITLEQJK-FCHUYYIVSA-N 1 3 335.495 3.611 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310223 1028774817 /nfs/dbraw/zinc/77/48/17/1028774817.db2.gz VIRVZZMITLEQJK-FCHUYYIVSA-N 1 3 335.495 3.611 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCNCC1 ZINC000414774891 1028818157 /nfs/dbraw/zinc/81/81/57/1028818157.db2.gz BZZZFIFKBAXTJJ-OAHLLOKOSA-N 1 3 325.294 3.502 20 0 EHADHO Cc1ccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000088765766 1028904946 /nfs/dbraw/zinc/90/49/46/1028904946.db2.gz RHHRDEQHFMZFFO-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO C[C@H]1CC2(CN1CCOc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424296649 1028936948 /nfs/dbraw/zinc/93/69/48/1028936948.db2.gz SDGQLXCNLWVAAY-ZDUSSCGKSA-N 1 3 343.298 3.836 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299848 1028940910 /nfs/dbraw/zinc/94/09/10/1028940910.db2.gz VZBAKSYGHQIECH-ZDUSSCGKSA-N 1 3 331.485 3.676 20 0 EHADHO CS[C@H]1CN(c2cc(C)nc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000445603063 1028965465 /nfs/dbraw/zinc/96/54/65/1028965465.db2.gz ZYGHZGISTGFECW-MOPGFXCFSA-N 1 3 327.497 3.559 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245723869 1029141930 /nfs/dbraw/zinc/14/19/30/1029141930.db2.gz IJPBUYPVZVHLFC-LIRRHRJNSA-N 1 3 344.478 3.543 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245723869 1029141935 /nfs/dbraw/zinc/14/19/35/1029141935.db2.gz IJPBUYPVZVHLFC-LIRRHRJNSA-N 1 3 344.478 3.543 20 0 EHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414812998 1029324443 /nfs/dbraw/zinc/32/44/43/1029324443.db2.gz XYWFCNXLTUTSEB-KFNAQCHYSA-N 1 3 343.284 3.626 20 0 EHADHO Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000272310096 1029408375 /nfs/dbraw/zinc/40/83/75/1029408375.db2.gz IRORECDHPHJPQW-FTRWYGJKSA-N 1 3 338.499 3.655 20 0 EHADHO Cc1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000272383024 1029442025 /nfs/dbraw/zinc/44/20/25/1029442025.db2.gz FMQAWFVAQAEREX-ACDBMABISA-N 1 3 341.524 3.779 20 0 EHADHO Cc1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000272383024 1029442033 /nfs/dbraw/zinc/44/20/33/1029442033.db2.gz FMQAWFVAQAEREX-ACDBMABISA-N 1 3 341.524 3.779 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2COC)[C@@H](C)C1 ZINC000508727222 1029835572 /nfs/dbraw/zinc/83/55/72/1029835572.db2.gz PBOKPVBYQLHPEF-JCXSTKQLSA-N 1 3 330.516 3.898 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2COC)[C@@H](C)C1 ZINC000508727222 1029835578 /nfs/dbraw/zinc/83/55/78/1029835578.db2.gz PBOKPVBYQLHPEF-JCXSTKQLSA-N 1 3 330.516 3.898 20 0 EHADHO CC(C)OCC[NH+]1CCC(NCc2ccc(C(F)F)cc2)CC1 ZINC000525989504 1030311072 /nfs/dbraw/zinc/31/10/72/1030311072.db2.gz CVUDPRPLCOHPGW-UHFFFAOYSA-N 1 3 326.431 3.603 20 0 EHADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598344 1030336313 /nfs/dbraw/zinc/33/63/13/1030336313.db2.gz HSOXCXORRROGFV-DZUCGIPZSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598344 1030336329 /nfs/dbraw/zinc/33/63/29/1030336329.db2.gz HSOXCXORRROGFV-DZUCGIPZSA-N 1 3 326.406 3.970 20 0 EHADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482461428 1030445948 /nfs/dbraw/zinc/44/59/48/1030445948.db2.gz RUEWVTNANIWAAW-XMSQKQJNSA-N 1 3 338.470 3.967 20 0 EHADHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475694806 1030591036 /nfs/dbraw/zinc/59/10/36/1030591036.db2.gz PLZMYISQXVRRCJ-AWEZNQCLSA-N 1 3 330.394 3.894 20 0 EHADHO COC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(C)C ZINC000482634556 1030608330 /nfs/dbraw/zinc/60/83/30/1030608330.db2.gz ZJVZAZWIVGHRNN-IBGZPJMESA-N 1 3 338.923 3.813 20 0 EHADHO CC(C)CCn1cccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735227 1030668506 /nfs/dbraw/zinc/66/85/06/1030668506.db2.gz NZLRAUPNRHAHNR-UHFFFAOYSA-N 1 3 347.547 3.611 20 0 EHADHO c1ccc(C[NH+]2CCCCC2)c(CN[C@@H]2COc3ccccc3C2)c1 ZINC000550995536 1030872309 /nfs/dbraw/zinc/87/23/09/1030872309.db2.gz FCMVOCMRMNVPHB-NRFANRHFSA-N 1 3 336.479 3.766 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000551009951 1030909307 /nfs/dbraw/zinc/90/93/07/1030909307.db2.gz XRMMPOQCOOJLPU-QCFAMHMHSA-N 1 3 329.532 3.532 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070574 1030938509 /nfs/dbraw/zinc/93/85/09/1030938509.db2.gz GLJVKHQDGFIVKB-LRDDRELGSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070574 1030938523 /nfs/dbraw/zinc/93/85/23/1030938523.db2.gz GLJVKHQDGFIVKB-LRDDRELGSA-N 1 3 343.284 3.893 20 0 EHADHO C[C@@H]1C[C@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CCO1 ZINC001168094154 1030985757 /nfs/dbraw/zinc/98/57/57/1030985757.db2.gz SCAIERHJYPMIHY-ZIAGYGMSSA-N 1 3 342.405 3.523 20 0 EHADHO COCCSc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000162349995 1031022777 /nfs/dbraw/zinc/02/27/77/1031022777.db2.gz YJFYSIWBUTXYEQ-QGZVFWFLSA-N 1 3 336.545 3.952 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000476989802 1031150418 /nfs/dbraw/zinc/15/04/18/1031150418.db2.gz VQRAGPXLKKLBPO-QGZVFWFLSA-N 1 3 338.536 3.695 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000476989802 1031150423 /nfs/dbraw/zinc/15/04/23/1031150423.db2.gz VQRAGPXLKKLBPO-QGZVFWFLSA-N 1 3 338.536 3.695 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995429 1031445654 /nfs/dbraw/zinc/44/56/54/1031445654.db2.gz NSLOLRDFWCSTKK-XJKSGUPXSA-N 1 3 326.406 3.901 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995098 1031448690 /nfs/dbraw/zinc/44/86/90/1031448690.db2.gz DGOSEIDZVONCKV-ZBFHGGJFSA-N 1 3 338.442 3.873 20 0 EHADHO COc1ccc(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000527991747 1031551730 /nfs/dbraw/zinc/55/17/30/1031551730.db2.gz WQLWFEYCBITFPJ-UHFFFAOYSA-N 1 3 347.547 3.902 20 0 EHADHO C[C@H]1C[C@@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@@H+]1C ZINC000178073040 1031618151 /nfs/dbraw/zinc/61/81/51/1031618151.db2.gz CHRFQHGVUXLTJD-PXNSSMCTSA-N 1 3 348.494 3.657 20 0 EHADHO C[C@H]1C[C@@H](NCc2cccc(Cn3cnc4ccccc43)c2)CC[N@H+]1C ZINC000178073040 1031618166 /nfs/dbraw/zinc/61/81/66/1031618166.db2.gz CHRFQHGVUXLTJD-PXNSSMCTSA-N 1 3 348.494 3.657 20 0 EHADHO CN1CCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@H]1c1cccs1 ZINC000608059962 1033451915 /nfs/dbraw/zinc/45/19/15/1033451915.db2.gz SAOXPEWUOFWEAX-BEFAXECRSA-N 1 3 340.496 3.797 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000708584868 1033574247 /nfs/dbraw/zinc/57/42/47/1033574247.db2.gz FHJRUDGNZLZZNZ-AYWYSENESA-N 1 3 342.527 3.692 20 0 EHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658061946 1033877480 /nfs/dbraw/zinc/87/74/80/1033877480.db2.gz PWYAJMWWNTXODW-GHTZIAJQSA-N 1 3 343.559 3.544 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCC(F)(F)CC3)CC2)C1 ZINC000658321718 1034198960 /nfs/dbraw/zinc/19/89/60/1034198960.db2.gz BYJUKXCBJMWWBS-RDJZCZTQSA-N 1 3 344.490 3.560 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000340171780 1034366961 /nfs/dbraw/zinc/36/69/61/1034366961.db2.gz WLBYCIRFLCREJV-VAMGGRTRSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccsc1 ZINC000340171780 1034366974 /nfs/dbraw/zinc/36/69/74/1034366974.db2.gz WLBYCIRFLCREJV-VAMGGRTRSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)C(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000924539709 1034812943 /nfs/dbraw/zinc/81/29/43/1034812943.db2.gz GKABTBSRJRUILC-IHWFROFDSA-N 1 3 329.532 3.502 20 0 EHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CCc2cccc(C(F)(F)F)c2)C1 ZINC000628281293 1035075453 /nfs/dbraw/zinc/07/54/53/1035075453.db2.gz MULGCBAOJADIEE-WBVHZDCISA-N 1 3 326.406 3.664 20 0 EHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CCc2cccc(C(F)(F)F)c2)C1 ZINC000628281293 1035075462 /nfs/dbraw/zinc/07/54/62/1035075462.db2.gz MULGCBAOJADIEE-WBVHZDCISA-N 1 3 326.406 3.664 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000414078955 1035454347 /nfs/dbraw/zinc/45/43/47/1035454347.db2.gz BNERDFLVKQTTRH-UEXGIBASSA-N 1 3 348.531 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(OC)cc2C)[C@@H](C)C1 ZINC000414078955 1035454348 /nfs/dbraw/zinc/45/43/48/1035454348.db2.gz BNERDFLVKQTTRH-UEXGIBASSA-N 1 3 348.531 3.791 20 0 EHADHO CC(C)[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2ccccc2o1 ZINC000540653898 1035529326 /nfs/dbraw/zinc/52/93/26/1035529326.db2.gz QRSXRSXOMZVELY-NRFANRHFSA-N 1 3 343.515 3.747 20 0 EHADHO CN1CCC[C@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164664981 1035729193 /nfs/dbraw/zinc/72/91/93/1035729193.db2.gz CPBYKLYKOLZNDO-RDJZCZTQSA-N 1 3 327.497 3.744 20 0 EHADHO CN1CCC[C@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@@H]21 ZINC000164664981 1035729206 /nfs/dbraw/zinc/72/92/06/1035729206.db2.gz CPBYKLYKOLZNDO-RDJZCZTQSA-N 1 3 327.497 3.744 20 0 EHADHO CSC1(CNCc2csc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000572008206 1035968216 /nfs/dbraw/zinc/96/82/16/1035968216.db2.gz YHLYQNJIHAAIHY-UHFFFAOYSA-N 1 3 339.357 3.972 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnn(CC(C)C)c2)CC1 ZINC000541247043 1036126959 /nfs/dbraw/zinc/12/69/59/1036126959.db2.gz OVXVPMRKSKSGRA-UHFFFAOYSA-N 1 3 334.552 3.873 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000542084588 1037048916 /nfs/dbraw/zinc/04/89/16/1037048916.db2.gz WBGCKQUPHQDJPH-QFIPXVFZSA-N 1 3 343.559 3.925 20 0 EHADHO CC(C)c1ccc([C@@H](C)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000542268295 1037246131 /nfs/dbraw/zinc/24/61/31/1037246131.db2.gz YMSVFGVMQHGCQY-GOSISDBHSA-N 1 3 331.548 3.829 20 0 EHADHO CC(C)c1ccc([C@@H](C)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000542268295 1037246147 /nfs/dbraw/zinc/24/61/47/1037246147.db2.gz YMSVFGVMQHGCQY-GOSISDBHSA-N 1 3 331.548 3.829 20 0 EHADHO CO[C@](C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000462806667 1037425592 /nfs/dbraw/zinc/42/55/92/1037425592.db2.gz JZRMZTSQMKQTEP-VXSCBNMQSA-N 1 3 342.527 3.692 20 0 EHADHO Clc1cccc(-c2cnc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573328381 1037469625 /nfs/dbraw/zinc/46/96/25/1037469625.db2.gz KNWQDQRNHBQNCF-CVEARBPZSA-N 1 3 345.874 3.817 20 0 EHADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1OCc1ccccc1 ZINC000491595405 1037575698 /nfs/dbraw/zinc/57/56/98/1037575698.db2.gz ZTFFDPDPZNQPDH-KRWDZBQOSA-N 1 3 342.483 3.562 20 0 EHADHO Cc1ccc(C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C2CC2)cc1 ZINC000540172824 1037641481 /nfs/dbraw/zinc/64/14/81/1037641481.db2.gz XOEKSLONDMHJSC-KNKQGSTJSA-N 1 3 344.543 3.795 20 0 EHADHO CC[NH+]1CCC(N[C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493905115 1037701727 /nfs/dbraw/zinc/70/17/27/1037701727.db2.gz GOFJLSYDIHZHTC-INIZCTEOSA-N 1 3 337.305 3.819 20 0 EHADHO C[C@@H]1C[C@H](NCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463133231 1037795083 /nfs/dbraw/zinc/79/50/83/1037795083.db2.gz RPQGEFLRBMYXEU-IEBWSBKVSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[C@H](NCCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463133231 1037795099 /nfs/dbraw/zinc/79/50/99/1037795099.db2.gz RPQGEFLRBMYXEU-IEBWSBKVSA-N 1 3 342.458 3.847 20 0 EHADHO COCC(C)(C)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000494116719 1037839936 /nfs/dbraw/zinc/83/99/36/1037839936.db2.gz NUNJNGFXYFCQFO-UHFFFAOYSA-N 1 3 338.923 3.814 20 0 EHADHO Cc1nc(C(F)(F)F)ccc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001141430789 1037974356 /nfs/dbraw/zinc/97/43/56/1037974356.db2.gz MWVCMUQMECXFKD-UHFFFAOYSA-N 1 3 343.437 3.961 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)ccc1OC ZINC000182958644 1038653580 /nfs/dbraw/zinc/65/35/80/1038653580.db2.gz GZTKZIOOKDPBDY-OXJNMPFZSA-N 1 3 336.520 3.595 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059092 1038660003 /nfs/dbraw/zinc/66/00/03/1038660003.db2.gz MPUVVGWBVUDJLZ-FXAWDEMLSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059092 1038660005 /nfs/dbraw/zinc/66/00/05/1038660005.db2.gz MPUVVGWBVUDJLZ-FXAWDEMLSA-N 1 3 348.494 3.514 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363918182 1038923670 /nfs/dbraw/zinc/92/36/70/1038923670.db2.gz BQRMHQUCNNWXJA-USXIJHARSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363918182 1038923677 /nfs/dbraw/zinc/92/36/77/1038923677.db2.gz BQRMHQUCNNWXJA-USXIJHARSA-N 1 3 349.906 3.582 20 0 EHADHO c1csc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522515 1039198509 /nfs/dbraw/zinc/19/85/09/1039198509.db2.gz PUABYIQWWYRLNO-FGTMMUONSA-N 1 3 327.497 3.533 20 0 EHADHO c1csc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522515 1039198515 /nfs/dbraw/zinc/19/85/15/1039198515.db2.gz PUABYIQWWYRLNO-FGTMMUONSA-N 1 3 327.497 3.533 20 0 EHADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000668513824 1039248690 /nfs/dbraw/zinc/24/86/90/1039248690.db2.gz XWNOTKOJTJTQKD-RBUKOAKNSA-N 1 3 347.572 3.803 20 0 EHADHO CC1(C)CC[C@H](CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562044 1039700042 /nfs/dbraw/zinc/70/00/42/1039700042.db2.gz IMAOLGNPJGRKNO-IFMALSPDSA-N 1 3 342.527 3.932 20 0 EHADHO CC1(C)CC[C@H](CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562044 1039700047 /nfs/dbraw/zinc/70/00/47/1039700047.db2.gz IMAOLGNPJGRKNO-IFMALSPDSA-N 1 3 342.527 3.932 20 0 EHADHO CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565610 1039705029 /nfs/dbraw/zinc/70/50/29/1039705029.db2.gz WDXWCYOIWVSPNE-PWRODBHTSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565610 1039705045 /nfs/dbraw/zinc/70/50/45/1039705045.db2.gz WDXWCYOIWVSPNE-PWRODBHTSA-N 1 3 342.527 3.931 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480671160 1039859779 /nfs/dbraw/zinc/85/97/79/1039859779.db2.gz QZVHXBQSDPRACQ-BSWAZPDLSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480671160 1039859807 /nfs/dbraw/zinc/85/98/07/1039859807.db2.gz QZVHXBQSDPRACQ-BSWAZPDLSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480671160 1039859835 /nfs/dbraw/zinc/85/98/35/1039859835.db2.gz QZVHXBQSDPRACQ-BSWAZPDLSA-N 1 3 326.406 3.685 20 0 EHADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512629642 1040332207 /nfs/dbraw/zinc/33/22/07/1040332207.db2.gz JRMVZWZMOFBJKF-ZQOQTTQJSA-N 1 3 342.527 3.834 20 0 EHADHO CC(C)[C@@H](COCc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000479515282 1040334055 /nfs/dbraw/zinc/33/40/55/1040334055.db2.gz IGEWQISCTKRCJK-XVAXZDLZSA-N 1 3 330.516 3.834 20 0 EHADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512655793 1040421871 /nfs/dbraw/zinc/42/18/71/1040421871.db2.gz WNARCMMMXIIECV-NJDAHSKKSA-N 1 3 344.543 3.675 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(C)C ZINC000512660147 1040443539 /nfs/dbraw/zinc/44/35/39/1040443539.db2.gz LJJPKECXXLVMBV-XRXFAXGQSA-N 1 3 330.516 3.548 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000487562902 1040960976 /nfs/dbraw/zinc/96/09/76/1040960976.db2.gz TVFKFQXZCRCSMC-MUGJNUQGSA-N 1 3 330.541 3.630 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)C1 ZINC000513031057 1041401034 /nfs/dbraw/zinc/40/10/34/1041401034.db2.gz WFBGKAJVRSNJNH-ZKIDJSGLSA-N 1 3 334.548 3.823 20 0 EHADHO OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000278839577 1041675019 /nfs/dbraw/zinc/67/50/19/1041675019.db2.gz URGCRQHYNBNVLN-KJJMTIBFSA-N 1 3 336.479 3.505 20 0 EHADHO c1ccc2[nH]c(CC3CC[NH+](CCCN4CCCCC4)CC3)nc2c1 ZINC000660857288 1041849874 /nfs/dbraw/zinc/84/98/74/1041849874.db2.gz JYZYZPMSRXFVLD-UHFFFAOYSA-N 1 3 340.515 3.693 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661136135 1041965532 /nfs/dbraw/zinc/96/55/32/1041965532.db2.gz NVSFVHSNAFURSO-UHFFFAOYSA-N 1 3 337.577 3.765 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661136135 1041965536 /nfs/dbraw/zinc/96/55/36/1041965536.db2.gz NVSFVHSNAFURSO-UHFFFAOYSA-N 1 3 337.577 3.765 20 0 EHADHO C[C@H]([NH2+]Cc1cc2cnccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000651756456 1041998701 /nfs/dbraw/zinc/99/87/01/1041998701.db2.gz YDMWGOJRUXRXML-FUHWJXTLSA-N 1 3 335.451 3.828 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298485 1042665960 /nfs/dbraw/zinc/66/59/60/1042665960.db2.gz WIPISPUZRNXJST-MRXNPFEDSA-N 1 3 345.512 3.923 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663468902 1042894525 /nfs/dbraw/zinc/89/45/25/1042894525.db2.gz NGTQLMBJMBMTNH-FXAWDEMLSA-N 1 3 330.516 3.728 20 0 EHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925786953 1042979049 /nfs/dbraw/zinc/97/90/49/1042979049.db2.gz YCTDDSAAZJBUGT-ZYHUDNBSSA-N 1 3 331.476 3.644 20 0 EHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344303263 1043615718 /nfs/dbraw/zinc/61/57/18/1043615718.db2.gz SPLDAMYXZANATI-BHIFYINESA-N 1 3 342.527 3.885 20 0 EHADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-c2ccccc2)o1 ZINC000154432064 1125718450 /nfs/dbraw/zinc/71/84/50/1125718450.db2.gz NNYYPVPUFNZKDU-GOSISDBHSA-N 1 3 341.499 3.625 20 0 EHADHO CCOc1cc(CNCc2ccccc2C[NH+](CC)CC)ccc1O ZINC000268473542 1125777766 /nfs/dbraw/zinc/77/77/66/1125777766.db2.gz RIVPGFPKERRVJY-UHFFFAOYSA-N 1 3 342.483 3.923 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000623441153 1126956068 /nfs/dbraw/zinc/95/60/68/1126956068.db2.gz FRMFHIKVUBFFHT-YZGWKJHDSA-N 1 3 329.532 3.502 20 0 EHADHO CC[C@H](c1ccc(Cl)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177386239 1126981971 /nfs/dbraw/zinc/98/19/71/1126981971.db2.gz FAADKGPCGWBFOK-LJQANCHMSA-N 1 3 337.939 3.749 20 0 EHADHO CC[C@H](c1ccc(Cl)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177386239 1126981974 /nfs/dbraw/zinc/98/19/74/1126981974.db2.gz FAADKGPCGWBFOK-LJQANCHMSA-N 1 3 337.939 3.749 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2o1 ZINC000178041018 1127005071 /nfs/dbraw/zinc/00/50/71/1127005071.db2.gz IYJAZFGFMHPFON-ZACQAIPSSA-N 1 3 330.472 3.973 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCCC[NH+]2CCCCC2)cc1 ZINC000178410329 1127017108 /nfs/dbraw/zinc/01/71/08/1127017108.db2.gz OAENWOKDTVACDL-KRWDZBQOSA-N 1 3 326.488 3.707 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000178410329 1127017111 /nfs/dbraw/zinc/01/71/11/1127017111.db2.gz OAENWOKDTVACDL-KRWDZBQOSA-N 1 3 326.488 3.707 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000183140945 1127364619 /nfs/dbraw/zinc/36/46/19/1127364619.db2.gz RZJWCFNEPGWLPX-XPWALMASSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@H]1C[C@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000183323139 1127371893 /nfs/dbraw/zinc/37/18/93/1127371893.db2.gz GGFLRGHLNFUQBV-SWLSCSKDSA-N 1 3 331.287 3.582 20 0 EHADHO C[C@H]1C[C@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323139 1127371896 /nfs/dbraw/zinc/37/18/96/1127371896.db2.gz GGFLRGHLNFUQBV-SWLSCSKDSA-N 1 3 331.287 3.582 20 0 EHADHO Cc1cnn(CCCCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185762350 1127431461 /nfs/dbraw/zinc/43/14/61/1127431461.db2.gz AVDUKIWJQYGMNH-RTBURBONSA-N 1 3 332.536 3.604 20 0 EHADHO CN1CCCC[C@H]1c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545648 1127682096 /nfs/dbraw/zinc/68/20/96/1127682096.db2.gz YOJCIWFECLAEDT-HKUYNNGSSA-N 1 3 336.483 3.823 20 0 EHADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CCCN3CCCC[C@@H]3C)CCO2)cc1 ZINC001168591325 1128179915 /nfs/dbraw/zinc/17/99/15/1128179915.db2.gz USBNQUUBTQQJRS-CUWPLCDZSA-N 1 3 346.515 3.769 20 0 EHADHO CC[NH+]1CCC(NCc2ccc(Br)c3cccnc23)CC1 ZINC000166426285 1128485540 /nfs/dbraw/zinc/48/55/40/1128485540.db2.gz HUJICGNYNKVNIB-UHFFFAOYSA-N 1 3 348.288 3.571 20 0 EHADHO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000655835335 1128491864 /nfs/dbraw/zinc/49/18/64/1128491864.db2.gz NQHYGTVVLFCWRR-MBWHEUGSSA-N 1 3 349.522 3.903 20 0 EHADHO CC[C@@H]1CCC[C@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000542689870 1128540339 /nfs/dbraw/zinc/54/03/39/1128540339.db2.gz YFDGWICZZWIWSX-UXHICEINSA-N 1 3 335.580 3.552 20 0 EHADHO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000186488851 1128764005 /nfs/dbraw/zinc/76/40/05/1128764005.db2.gz MSINNZHCVWFRMV-VURNCLMJSA-N 1 3 346.515 3.659 20 0 EHADHO CN(C)CC[C@@H]([NH2+]Cc1ccc(Br)s1)C(C)(C)C ZINC000236984016 1120235582 /nfs/dbraw/zinc/23/55/82/1120235582.db2.gz UXGINJSYHNRJGR-GFCCVEGCSA-N 1 3 333.339 3.967 20 0 EHADHO Fc1cc([C@H]2OCC[C@@H]2[NH2+]CCCN2CCCCC2)ccc1Cl ZINC000192074555 1120711194 /nfs/dbraw/zinc/71/11/94/1120711194.db2.gz XKIZOMBXPTYSNO-ZWKOTPCHSA-N 1 3 340.870 3.775 20 0 EHADHO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(N(C)CCCO)CC1 ZINC000303731402 1121177540 /nfs/dbraw/zinc/17/75/40/1121177540.db2.gz UYLDBIMLZFMPPH-UHFFFAOYSA-N 1 3 346.559 3.880 20 0 EHADHO C[C@H]1CCC[C@@](C[NH2+]C2CCN(Cc3ccccc3)CC2)(N(C)C)C1 ZINC000237690640 1121491681 /nfs/dbraw/zinc/49/16/81/1121491681.db2.gz IFQUHNUUASCCBF-SIKLNZKXSA-N 1 3 343.559 3.751 20 0 EHADHO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000495897204 1121562334 /nfs/dbraw/zinc/56/23/34/1121562334.db2.gz KQLDWMPDGDMMOV-ZACQAIPSSA-N 1 3 341.540 3.532 20 0 EHADHO CCCCN1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000037149919 1122144182 /nfs/dbraw/zinc/14/41/82/1122144182.db2.gz MLPDJSZHWMBJGO-UHFFFAOYSA-N 1 3 325.294 3.803 20 0 EHADHO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)CN1CCCCC1 ZINC000125584780 1122321358 /nfs/dbraw/zinc/32/13/58/1122321358.db2.gz HOURNVHQMYSTRM-HOTGVXAUSA-N 1 3 343.515 3.689 20 0 EHADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000126232376 1122396519 /nfs/dbraw/zinc/39/65/19/1122396519.db2.gz VCJCFPUJPDISSR-NSHDSACASA-N 1 3 329.257 3.581 20 0 EHADHO O[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000918197909 1122771395 /nfs/dbraw/zinc/77/13/95/1122771395.db2.gz OYWHRDHDZQIPLF-HXUWFJFHSA-N 1 3 344.886 3.628 20 0 EHADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@H]2CCC[C@@H]21 ZINC000556872524 1123162101 /nfs/dbraw/zinc/16/21/01/1123162101.db2.gz YWFJZWAVLNSYBB-STEXWYFWSA-N 1 3 347.572 3.593 20 0 EHADHO Fc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134878083 1123560180 /nfs/dbraw/zinc/56/01/80/1123560180.db2.gz UQFZPNGRPPNFKR-OXQOHEQNSA-N 1 3 332.463 3.543 20 0 EHADHO Fc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134878083 1123560185 /nfs/dbraw/zinc/56/01/85/1123560185.db2.gz UQFZPNGRPPNFKR-OXQOHEQNSA-N 1 3 332.463 3.543 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(OC)CCC2)ccc1OC ZINC000180196763 1123959756 /nfs/dbraw/zinc/95/97/56/1123959756.db2.gz NFOHQACBDOLDFU-MRXNPFEDSA-N 1 3 334.504 3.757 20 0 EHADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248404340 1124657940 /nfs/dbraw/zinc/65/79/40/1124657940.db2.gz QBHKWUOBHXYLHC-NJDAHSKKSA-N 1 3 342.527 3.693 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1 ZINC000249187420 1124744449 /nfs/dbraw/zinc/74/44/49/1124744449.db2.gz LRNXCGKORAEHJJ-SLFFLAALSA-N 1 3 334.479 3.634 20 0 EHADHO CCCN(Cc1c(C)cc(Br)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236845092 1125049391 /nfs/dbraw/zinc/04/93/91/1125049391.db2.gz YRRRQSFFKCBENU-HNNXBMFYSA-N 1 3 339.321 3.887 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1CN1CCCCC1 ZINC000182963886 1125414626 /nfs/dbraw/zinc/41/46/26/1125414626.db2.gz HONWOUJPMQTDTH-UXPWSPDFSA-N 1 3 346.515 3.635 20 0 EHADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1cc(-n2ccnc2)cs1 ZINC000543173050 1129312609 /nfs/dbraw/zinc/31/26/09/1129312609.db2.gz ZEVBIZLIJKITKC-LPHOPBHVSA-N 1 3 346.544 3.924 20 0 EHADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000075642693 1129877374 /nfs/dbraw/zinc/87/73/74/1129877374.db2.gz KYUKADGIFBLQTP-IBGZPJMESA-N 1 3 338.923 3.817 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000075642693 1129877381 /nfs/dbraw/zinc/87/73/81/1129877381.db2.gz KYUKADGIFBLQTP-IBGZPJMESA-N 1 3 338.923 3.817 20 0 EHADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000075642695 1129878455 /nfs/dbraw/zinc/87/84/55/1129878455.db2.gz KYUKADGIFBLQTP-LJQANCHMSA-N 1 3 338.923 3.817 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000075642695 1129878461 /nfs/dbraw/zinc/87/84/61/1129878461.db2.gz KYUKADGIFBLQTP-LJQANCHMSA-N 1 3 338.923 3.817 20 0 EHADHO C[C@H](CCc1ccsc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164272 1130220821 /nfs/dbraw/zinc/22/08/21/1130220821.db2.gz CKEPIXLWAMILGI-QGZVFWFLSA-N 1 3 343.540 3.966 20 0 EHADHO CC1(O)CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000703010029 1130268199 /nfs/dbraw/zinc/26/81/99/1130268199.db2.gz PDZFSGFZPBEUKD-QNGMFEMESA-N 1 3 330.516 3.572 20 0 EHADHO C[C@H]1C[C@H](NCCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781440 1130471784 /nfs/dbraw/zinc/47/17/84/1130471784.db2.gz ZQEMLBQAOMOWGE-WMZHIEFXSA-N 1 3 349.522 3.645 20 0 EHADHO C[C@H]1C[C@H](NCCN2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000675781440 1130471788 /nfs/dbraw/zinc/47/17/88/1130471788.db2.gz ZQEMLBQAOMOWGE-WMZHIEFXSA-N 1 3 349.522 3.645 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885049 1131554195 /nfs/dbraw/zinc/55/41/95/1131554195.db2.gz YKHBLPNOHOJNAH-YJBOKZPZSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)C[C@@H]1C ZINC000740885049 1131554198 /nfs/dbraw/zinc/55/41/98/1131554198.db2.gz YKHBLPNOHOJNAH-YJBOKZPZSA-N 1 3 342.483 3.714 20 0 EHADHO CC(C)OCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001172442881 1131743631 /nfs/dbraw/zinc/74/36/31/1131743631.db2.gz VYTYHTJUGWQALH-QGZVFWFLSA-N 1 3 336.495 3.831 20 0 EHADHO Cc1ccc2c(c1)C[C@@H](N1CCC([NH+]3CCC(F)CC3)CC1)CC2 ZINC001172829734 1131854693 /nfs/dbraw/zinc/85/46/93/1131854693.db2.gz CQNSFIATJRQXNP-NRFANRHFSA-N 1 3 330.491 3.751 20 0 EHADHO CO[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001172925885 1131907866 /nfs/dbraw/zinc/90/78/66/1131907866.db2.gz LFLDALWPNPSHNJ-RTBURBONSA-N 1 3 334.479 3.585 20 0 EHADHO CCCOC1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001173093942 1131952244 /nfs/dbraw/zinc/95/22/44/1131952244.db2.gz PHSQYORGGLZYGL-UHFFFAOYSA-N 1 3 345.531 3.621 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2c(F)c(F)ccc2OC)CC1 ZINC001173103541 1131966889 /nfs/dbraw/zinc/96/68/89/1131966889.db2.gz LLDAIVCDHPLUCW-UHFFFAOYSA-N 1 3 326.431 3.716 20 0 EHADHO Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](N)CC3)cn2)c1C ZINC001206196347 1132013134 /nfs/dbraw/zinc/01/31/34/1132013134.db2.gz BMMRJDBXNQWSDI-MOPGFXCFSA-N 1 3 327.447 3.627 20 0 EHADHO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](N)CC3)cn2)c1C ZINC001206196347 1132013142 /nfs/dbraw/zinc/01/31/42/1132013142.db2.gz BMMRJDBXNQWSDI-MOPGFXCFSA-N 1 3 327.447 3.627 20 0 EHADHO CCc1ccc(C[C@@H](C)N2CCC([NH3+])(Cc3cccnc3)CC2)cc1 ZINC001173251381 1132018474 /nfs/dbraw/zinc/01/84/74/1132018474.db2.gz ZJUUAINENOYJQZ-GOSISDBHSA-N 1 3 337.511 3.611 20 0 EHADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000379902327 1132442416 /nfs/dbraw/zinc/44/24/16/1132442416.db2.gz JBVXTPWTCRQEHU-NJDAHSKKSA-N 1 3 330.516 3.836 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)OC(C)(C)c1ccccc13)C2 ZINC001169146633 1132676907 /nfs/dbraw/zinc/67/69/07/1132676907.db2.gz QPGJYPHZWRLPGY-PIIMJCKOSA-N 1 3 340.511 3.868 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)OC(C)(C)c1ccccc13)C2 ZINC001169146633 1132676912 /nfs/dbraw/zinc/67/69/12/1132676912.db2.gz QPGJYPHZWRLPGY-PIIMJCKOSA-N 1 3 340.511 3.868 20 0 EHADHO CC(C)Cc1ccccc1CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879144 1133007825 /nfs/dbraw/zinc/00/78/25/1133007825.db2.gz CWOLAVUDNKQKJN-UHFFFAOYSA-N 1 3 344.543 3.698 20 0 EHADHO COc1ccc2c(NCCCCN3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c2c1 ZINC000768536127 1133151858 /nfs/dbraw/zinc/15/18/58/1133151858.db2.gz SJMGGMRJFJRYQK-IYBDPMFKSA-N 1 3 343.471 3.545 20 0 EHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C)cc1 ZINC001178972630 1133217906 /nfs/dbraw/zinc/21/79/06/1133217906.db2.gz XLKWJQIOKAPIBM-FGZHOGPDSA-N 1 3 338.495 3.622 20 0 EHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C)cc1 ZINC001178972630 1133217908 /nfs/dbraw/zinc/21/79/08/1133217908.db2.gz XLKWJQIOKAPIBM-FGZHOGPDSA-N 1 3 338.495 3.622 20 0 EHADHO COC(=O)c1coc([C@@H](C)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000774215590 1133640053 /nfs/dbraw/zinc/64/00/53/1133640053.db2.gz ARBRDJZZBXAUFJ-ODIFPOPNSA-N 1 3 334.460 3.514 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCC[C@H](C)CO)cc1CN1CCCCC1 ZINC000775421791 1134766610 /nfs/dbraw/zinc/76/66/10/1134766610.db2.gz JKMQDKNDLUDEIC-ZWKOTPCHSA-N 1 3 348.531 3.740 20 0 EHADHO CCC(CC)N1CCC([NH2+][C@@H](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001170424053 1134837059 /nfs/dbraw/zinc/83/70/59/1134837059.db2.gz JHCYKGJLJNXTLE-KRWDZBQOSA-N 1 3 346.515 3.979 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806138412 1135390813 /nfs/dbraw/zinc/39/08/13/1135390813.db2.gz UZZHNSQVZVLIEA-KRWDZBQOSA-N 1 3 329.875 3.964 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806138412 1135390818 /nfs/dbraw/zinc/39/08/18/1135390818.db2.gz UZZHNSQVZVLIEA-KRWDZBQOSA-N 1 3 329.875 3.964 20 0 EHADHO Cc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1C ZINC001170528076 1135552320 /nfs/dbraw/zinc/55/23/20/1135552320.db2.gz GIWNOVMRXKCOOU-UHFFFAOYSA-N 1 3 348.494 3.608 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC001199972638 1135942070 /nfs/dbraw/zinc/94/20/70/1135942070.db2.gz WMLGWTQOBSPZRC-HXUWFJFHSA-N 1 3 340.467 3.631 20 0 EHADHO CC[C@H](C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000810258581 1135944251 /nfs/dbraw/zinc/94/42/51/1135944251.db2.gz QYVIGNSIVQKREH-VQIMIIECSA-N 1 3 334.504 3.757 20 0 EHADHO CC[C@H](C)C[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201504000 1136029440 /nfs/dbraw/zinc/02/94/40/1136029440.db2.gz TZXSXRLYELVIJK-DLBZAZTESA-N 1 3 336.545 3.850 20 0 EHADHO FC(F)(F)CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202424704 1136140080 /nfs/dbraw/zinc/14/00/80/1136140080.db2.gz MPFZQUCNJJYMHC-QGZVFWFLSA-N 1 3 326.406 3.927 20 0 EHADHO FC(F)(F)CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202424704 1136140083 /nfs/dbraw/zinc/14/00/83/1136140083.db2.gz MPFZQUCNJJYMHC-QGZVFWFLSA-N 1 3 326.406 3.927 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850509774 1136274084 /nfs/dbraw/zinc/27/40/84/1136274084.db2.gz SIXGGSUNBKUNJS-UZLBHIALSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850509774 1136274086 /nfs/dbraw/zinc/27/40/86/1136274086.db2.gz SIXGGSUNBKUNJS-UZLBHIALSA-N 1 3 342.458 3.552 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657213 1136486101 /nfs/dbraw/zinc/48/61/01/1136486101.db2.gz NMRIPPFTTOGTBG-AEFFLSMTSA-N 1 3 345.487 3.558 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H](OC)C2CC2)cc1CN1CCCCC1 ZINC000815651362 1136626394 /nfs/dbraw/zinc/62/63/94/1136626394.db2.gz QQFMOTLWOWPATD-KKSFZXQISA-N 1 3 346.515 3.757 20 0 EHADHO CC/C=C/CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604831 1136797884 /nfs/dbraw/zinc/79/78/84/1136797884.db2.gz RWLXHAMWUPUEIN-ROUKRRSUSA-N 1 3 331.504 3.731 20 0 EHADHO CC/C=C/CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604831 1136797887 /nfs/dbraw/zinc/79/78/87/1136797887.db2.gz RWLXHAMWUPUEIN-ROUKRRSUSA-N 1 3 331.504 3.731 20 0 EHADHO CCCCCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599839 1136798557 /nfs/dbraw/zinc/79/85/57/1136798557.db2.gz OFFJBQSGBHXKGA-FQEVSTJZSA-N 1 3 333.520 3.955 20 0 EHADHO CCCCCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599839 1136798558 /nfs/dbraw/zinc/79/85/58/1136798558.db2.gz OFFJBQSGBHXKGA-FQEVSTJZSA-N 1 3 333.520 3.955 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000817889989 1136843390 /nfs/dbraw/zinc/84/33/90/1136843390.db2.gz RMTBDHNNALADQI-FGZHOGPDSA-N 1 3 335.495 3.954 20 0 EHADHO Cc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000817894768 1136843869 /nfs/dbraw/zinc/84/38/69/1136843869.db2.gz ODBWPDKWBPBSPU-ZSZQSSIHSA-N 1 3 328.481 3.963 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893947 1136843889 /nfs/dbraw/zinc/84/38/89/1136843889.db2.gz JJJCRUZQSZNTRT-XOBRGWDASA-N 1 3 341.499 3.530 20 0 EHADHO Cc1ccc(N2CCC[C@H](N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)cc1 ZINC000817897694 1136844001 /nfs/dbraw/zinc/84/40/01/1136844001.db2.gz VTKIHDXFPOQYLP-CBQOVEMMSA-N 1 3 337.511 3.512 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)c2ccccc2)C1 ZINC000818959788 1136895999 /nfs/dbraw/zinc/89/59/99/1136895999.db2.gz SZXCBPQBRJBWFV-PGRDOPGGSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)c2ccccc2)C1 ZINC000818959788 1136896003 /nfs/dbraw/zinc/89/60/03/1136896003.db2.gz SZXCBPQBRJBWFV-PGRDOPGGSA-N 1 3 338.495 3.742 20 0 EHADHO CN1CC2(C1)CC[NH+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)CC2 ZINC001171172842 1137281778 /nfs/dbraw/zinc/28/17/78/1137281778.db2.gz TYFLMWMHUUTGFF-HNNXBMFYSA-N 1 3 339.310 3.878 20 0 EHADHO C[NH+]1CCC2(CN([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)CC1 ZINC001171171189 1137281908 /nfs/dbraw/zinc/28/19/08/1137281908.db2.gz CXVBIFNAEIGNOL-HNNXBMFYSA-N 1 3 339.310 3.878 20 0 EHADHO CC(C)[NH+]1CCC(CCNCc2conc2Cc2ccccc2)CC1 ZINC000865716691 1137306302 /nfs/dbraw/zinc/30/63/02/1137306302.db2.gz DCVXUAAHZWJZQH-UHFFFAOYSA-N 1 3 341.499 3.866 20 0 EHADHO C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000866256631 1137340042 /nfs/dbraw/zinc/34/00/42/1137340042.db2.gz AUKXCIYYBSBITK-KNQAVFIVSA-N 1 3 337.511 3.557 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866563554 1137364991 /nfs/dbraw/zinc/36/49/91/1137364991.db2.gz NHXXIXAOGWLPPH-JXHRLWIKSA-N 1 3 349.522 3.673 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@@H](C)C1 ZINC000339095011 1137467469 /nfs/dbraw/zinc/46/74/69/1137467469.db2.gz CTGSYGXWTZCWJT-LAUBAEHRSA-N 1 3 347.547 3.740 20 0 EHADHO C[NH+]1C(C)(C)CC(NC[C@@H](CO)c2ccc(Cl)cc2)CC1(C)C ZINC001171628849 1137499588 /nfs/dbraw/zinc/49/95/88/1137499588.db2.gz JFIDIZUVWAWSRJ-HNNXBMFYSA-N 1 3 338.923 3.657 20 0 EHADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(Cc3ccccn3)CC2)cc1 ZINC001171666757 1137502543 /nfs/dbraw/zinc/50/25/43/1137502543.db2.gz QGVQZQRSWTXASA-IBGZPJMESA-N 1 3 337.511 3.747 20 0 EHADHO Cc1cccnc1O[C@@H]1CCCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641925 1137504759 /nfs/dbraw/zinc/50/47/59/1137504759.db2.gz WIGPQBRFTHUOEU-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccnc1O[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641925 1137504760 /nfs/dbraw/zinc/50/47/60/1137504760.db2.gz WIGPQBRFTHUOEU-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccnc1O[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641925 1137504762 /nfs/dbraw/zinc/50/47/62/1137504762.db2.gz WIGPQBRFTHUOEU-GOSISDBHSA-N 1 3 345.531 3.885 20 0 EHADHO CCOC(=O)C[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@H]1C ZINC001171644572 1137505191 /nfs/dbraw/zinc/50/51/91/1137505191.db2.gz FOGIBORYRQVUIR-CVEARBPZSA-N 1 3 338.536 3.549 20 0 EHADHO CCOC(=O)C[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@H]1C ZINC001171644572 1137505192 /nfs/dbraw/zinc/50/51/92/1137505192.db2.gz FOGIBORYRQVUIR-CVEARBPZSA-N 1 3 338.536 3.549 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001171693937 1137507652 /nfs/dbraw/zinc/50/76/52/1137507652.db2.gz PUWXRCLIFLQKLY-IPMKNSEASA-N 1 3 340.515 3.565 20 0 EHADHO Cc1nccn1CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001171693937 1137507654 /nfs/dbraw/zinc/50/76/54/1137507654.db2.gz PUWXRCLIFLQKLY-IPMKNSEASA-N 1 3 340.515 3.565 20 0 EHADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967486 1137520636 /nfs/dbraw/zinc/52/06/36/1137520636.db2.gz ANGJQABVFMCXHQ-PMACEKPBSA-N 1 3 329.532 3.502 20 0 EHADHO CCC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969167 1137523386 /nfs/dbraw/zinc/52/33/86/1137523386.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 1 3 340.433 3.910 20 0 EHADHO CCC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969167 1137523387 /nfs/dbraw/zinc/52/33/87/1137523387.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 1 3 340.433 3.910 20 0 EHADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969167 1137523388 /nfs/dbraw/zinc/52/33/88/1137523388.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 1 3 340.433 3.910 20 0 EHADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969167 1137523389 /nfs/dbraw/zinc/52/33/89/1137523389.db2.gz ZORNABNZDZEWMD-BHYGNILZSA-N 1 3 340.433 3.910 20 0 EHADHO CC1(C)C[C@@H](N2CCN(C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976354 1137525525 /nfs/dbraw/zinc/52/55/25/1137525525.db2.gz KIJYHFVFVMWFBC-NRFANRHFSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@@H](N2CCN(C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976354 1137525527 /nfs/dbraw/zinc/52/55/27/1137525527.db2.gz KIJYHFVFVMWFBC-NRFANRHFSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@H](N2CCN3CCCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979247 1137526268 /nfs/dbraw/zinc/52/62/68/1137526268.db2.gz ABSGEICKDZTJNM-RTWAWAEBSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@H](N2CCN3CCCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979247 1137526269 /nfs/dbraw/zinc/52/62/69/1137526269.db2.gz ABSGEICKDZTJNM-RTWAWAEBSA-N 1 3 341.543 3.600 20 0 EHADHO CO[C@H](C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172086572 1137532023 /nfs/dbraw/zinc/53/20/23/1137532023.db2.gz HLOVXRBHJWXIDX-DBOLQNLKSA-N 1 3 328.500 3.539 20 0 EHADHO CO[C@H](C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086572 1137532025 /nfs/dbraw/zinc/53/20/25/1137532025.db2.gz HLOVXRBHJWXIDX-DBOLQNLKSA-N 1 3 328.500 3.539 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1C(F)(F)F)C2 ZINC001172105045 1137536535 /nfs/dbraw/zinc/53/65/35/1137536535.db2.gz FKYBOBPYDCCPKW-QDMKHBRRSA-N 1 3 330.369 3.949 20 0 EHADHO CN(Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120319 1137538187 /nfs/dbraw/zinc/53/81/87/1137538187.db2.gz JQHZKJJSCMXDMS-BJWYYQGGSA-N 1 3 337.305 3.896 20 0 EHADHO CN(Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120319 1137538189 /nfs/dbraw/zinc/53/81/89/1137538189.db2.gz JQHZKJJSCMXDMS-BJWYYQGGSA-N 1 3 337.305 3.896 20 0 EHADHO COc1ccc(CC2(N)CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)cc1 ZINC001172371002 1137555268 /nfs/dbraw/zinc/55/52/68/1137555268.db2.gz SJHRZUSMGAQAJE-YQVWRLOYSA-N 1 3 330.516 3.856 20 0 EHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(C(F)(F)F)nc1 ZINC000872154854 1137574059 /nfs/dbraw/zinc/57/40/59/1137574059.db2.gz CJZZINKMENTERY-LBPRGKRZSA-N 1 3 335.373 3.597 20 0 EHADHO Cc1cnc(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000873209864 1137594023 /nfs/dbraw/zinc/59/40/23/1137594023.db2.gz USBGGULFFFVGNK-UHFFFAOYSA-N 1 3 333.526 3.538 20 0 EHADHO [NH3+][C@H]1C[C@@H](CN[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000873252037 1137595468 /nfs/dbraw/zinc/59/54/68/1137595468.db2.gz OWUNIBXYGWJRIO-JOQOYGCGSA-N 1 3 345.284 3.865 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H]2CC2(Cl)Cl)CC1 ZINC000877038147 1137668431 /nfs/dbraw/zinc/66/84/31/1137668431.db2.gz IKKCQBMVDDNAFO-UKRRQHHQSA-N 1 3 327.299 3.995 20 0 EHADHO c1ccc([C@@H]2C[C@@H](NCC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638435 1137683986 /nfs/dbraw/zinc/68/39/86/1137683986.db2.gz GSNKLXMFQILSOL-RDJZCZTQSA-N 1 3 334.554 3.750 20 0 EHADHO c1ccc([C@@H]2C[C@@H](NCC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638435 1137683987 /nfs/dbraw/zinc/68/39/87/1137683987.db2.gz GSNKLXMFQILSOL-RDJZCZTQSA-N 1 3 334.554 3.750 20 0 EHADHO C=C/C=C\CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018725 1137735382 /nfs/dbraw/zinc/73/53/82/1137735382.db2.gz IAGSTNXEBDSWSU-HCZHMGAMSA-N 1 3 329.488 3.507 20 0 EHADHO C=C/C=C\CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018725 1137735383 /nfs/dbraw/zinc/73/53/83/1137735383.db2.gz IAGSTNXEBDSWSU-HCZHMGAMSA-N 1 3 329.488 3.507 20 0 EHADHO CN(CCCC[NH+]1CCCCC1)Cc1ccnc(Br)c1 ZINC000880517147 1137780415 /nfs/dbraw/zinc/78/04/15/1137780415.db2.gz JLOYOZOOHXFBKP-UHFFFAOYSA-N 1 3 340.309 3.542 20 0 EHADHO C[C@@H](CN[C@H](c1ccc(F)cc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000883174563 1137847196 /nfs/dbraw/zinc/84/71/96/1137847196.db2.gz NDWNCRKLPLXATQ-OXJNMPFZSA-N 1 3 334.479 3.615 20 0 EHADHO CC(C)[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883199875 1137848299 /nfs/dbraw/zinc/84/82/99/1137848299.db2.gz SGKLLTFXUVJWDE-FQEVSTJZSA-N 1 3 334.479 3.756 20 0 EHADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331657742 1137916190 /nfs/dbraw/zinc/91/61/90/1137916190.db2.gz LOTLFCQKGCMQEI-MDZRGWNJSA-N 1 3 329.488 3.852 20 0 EHADHO C[C@@H]1CC[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331657742 1137916191 /nfs/dbraw/zinc/91/61/91/1137916191.db2.gz LOTLFCQKGCMQEI-MDZRGWNJSA-N 1 3 329.488 3.852 20 0 EHADHO C[C@@H]1CC[C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331657687 1137916234 /nfs/dbraw/zinc/91/62/34/1137916234.db2.gz LOTLFCQKGCMQEI-GPMSIDNRSA-N 1 3 329.488 3.852 20 0 EHADHO C[C@@H]1CC[C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000331657687 1137916235 /nfs/dbraw/zinc/91/62/35/1137916235.db2.gz LOTLFCQKGCMQEI-GPMSIDNRSA-N 1 3 329.488 3.852 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(CO)c1 ZINC000121064682 1137954919 /nfs/dbraw/zinc/95/49/19/1137954919.db2.gz COUBHGHISRDIBO-QGZVFWFLSA-N 1 3 326.484 3.872 20 0 EHADHO CCCN1CCC([N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135685185 1137979851 /nfs/dbraw/zinc/97/98/51/1137979851.db2.gz HJPLXLINJFHDJU-QGZVFWFLSA-N 1 3 345.314 3.833 20 0 EHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135685185 1137979856 /nfs/dbraw/zinc/97/98/56/1137979856.db2.gz HJPLXLINJFHDJU-QGZVFWFLSA-N 1 3 345.314 3.833 20 0 EHADHO Fc1cccc(/C=C/C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000886159984 1138054180 /nfs/dbraw/zinc/05/41/80/1138054180.db2.gz HNXIQERQSAZLIX-DUXPYHPUSA-N 1 3 339.458 3.736 20 0 EHADHO CCOC1CC(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886599382 1138100766 /nfs/dbraw/zinc/10/07/66/1138100766.db2.gz XSMOJTKFBQBQMV-ZQYRLJTRSA-N 1 3 342.527 3.834 20 0 EHADHO COCC1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886627280 1138103576 /nfs/dbraw/zinc/10/35/76/1138103576.db2.gz XTRDXKXBGGMSBF-CWCCKTLESA-N 1 3 342.527 3.834 20 0 EHADHO CN(CCCO)C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000125004711 1138298815 /nfs/dbraw/zinc/29/88/15/1138298815.db2.gz FAEIYVHQZDWIBE-UHFFFAOYSA-N 1 3 340.511 3.551 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000188366308 1140293879 /nfs/dbraw/zinc/29/38/79/1140293879.db2.gz WLRDNGWYRIRQNF-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO Cc1cccc(C2=CC[N@H+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000192783617 1140550728 /nfs/dbraw/zinc/55/07/28/1140550728.db2.gz UPDLYNSQWQMFEZ-UHFFFAOYSA-N 1 3 341.543 3.500 20 0 EHADHO Cc1cccc(C2=CC[N@@H+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000192783617 1140550733 /nfs/dbraw/zinc/55/07/33/1140550733.db2.gz UPDLYNSQWQMFEZ-UHFFFAOYSA-N 1 3 341.543 3.500 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000195446541 1140639505 /nfs/dbraw/zinc/63/95/05/1140639505.db2.gz GCYNQMCBHDIEGE-RTBURBONSA-N 1 3 336.907 3.506 20 0 EHADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413416 1141220606 /nfs/dbraw/zinc/22/06/06/1141220606.db2.gz DVOOMCNKFFKERY-MOPGFXCFSA-N 1 3 336.907 3.570 20 0 EHADHO CCCc1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000270983867 1141290849 /nfs/dbraw/zinc/29/08/49/1141290849.db2.gz XOLDFDSIZUXRFA-UHFFFAOYSA-N 1 3 343.559 3.630 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc2ccccc2c1 ZINC000271436625 1141366438 /nfs/dbraw/zinc/36/64/38/1141366438.db2.gz BTXLNYUMGQYHTG-KNXBSLHKSA-N 1 3 338.495 3.868 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000283220690 1141575467 /nfs/dbraw/zinc/57/54/67/1141575467.db2.gz HXBOEXQINWFWTO-KRWDZBQOSA-N 1 3 345.556 3.968 20 0 EHADHO COc1ccc(F)cc1[C@@H](C)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000298246829 524328780 /nfs/dbraw/zinc/32/87/80/524328780.db2.gz DBZXKGSBZLTCOH-CQSZACIVSA-N 1 3 329.419 3.549 20 0 EHADHO COc1cccc(Cl)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000298005343 526101408 /nfs/dbraw/zinc/10/14/08/526101408.db2.gz BNBQWJQPAUPVLV-UHFFFAOYSA-N 1 3 331.847 3.502 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc(C2CC2)c1 ZINC000904472155 1032069069 /nfs/dbraw/zinc/06/90/69/1032069069.db2.gz LXJMSTIZOXEGKR-UNMCSNQZSA-N 1 3 334.463 3.910 20 0 EHADHO C[NH+]1CCC(CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180459513 1015955861 /nfs/dbraw/zinc/95/58/61/1015955861.db2.gz TXTGNJCMRTXWTC-UHFFFAOYSA-N 1 3 330.422 3.986 20 0 EHADHO CC(C)OC1CC(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463645 1032164347 /nfs/dbraw/zinc/16/43/47/1032164347.db2.gz MOEFSDHOANJUFV-XVAXZDLZSA-N 1 3 328.500 3.540 20 0 EHADHO CC(C)OC1CC(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463645 1032164352 /nfs/dbraw/zinc/16/43/52/1032164352.db2.gz MOEFSDHOANJUFV-XVAXZDLZSA-N 1 3 328.500 3.540 20 0 EHADHO CC1CC[NH+](C2CCC(N[C@@H](c3nccn3C)C3CC3)CC2)CC1 ZINC000183353035 1032165775 /nfs/dbraw/zinc/16/57/75/1032165775.db2.gz WHKGFXOVYQSXHJ-CTWPCTMYSA-N 1 3 330.520 3.504 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615859 1032174193 /nfs/dbraw/zinc/17/41/93/1032174193.db2.gz BIVDTYGUSFRWMQ-XMSQKQJNSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379615859 1032174200 /nfs/dbraw/zinc/17/42/00/1032174200.db2.gz BIVDTYGUSFRWMQ-XMSQKQJNSA-N 1 3 338.495 3.976 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccccc2O)CC1 ZINC000449110326 1032190417 /nfs/dbraw/zinc/19/04/17/1032190417.db2.gz CCHADFJOEIHQAD-GOSISDBHSA-N 1 3 338.495 3.620 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449145560 1032247900 /nfs/dbraw/zinc/24/79/00/1032247900.db2.gz YAJLYWAEKIJWIV-SIKLNZKXSA-N 1 3 343.559 3.546 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449239925 1032376867 /nfs/dbraw/zinc/37/68/67/1032376867.db2.gz LWVOVPSNIADTFM-AHJNKEMKSA-N 1 3 342.527 3.834 20 0 EHADHO Cc1cccnc1CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000449486332 1032641511 /nfs/dbraw/zinc/64/15/11/1032641511.db2.gz UCHDWZDPOMKTTG-FUPPJEDESA-N 1 3 349.522 3.823 20 0 EHADHO Cc1ccc(OCc2nc(CNC[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000415013258 1017394943 /nfs/dbraw/zinc/39/49/43/1017394943.db2.gz YIZNSGVYAWXEPH-JKSUJKDBSA-N 1 3 345.512 3.638 20 0 EHADHO Cc1[nH]c2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1C ZINC000655700509 1017416887 /nfs/dbraw/zinc/41/68/87/1017416887.db2.gz LOBPLMYBAPWHIH-IBGZPJMESA-N 1 3 341.499 3.518 20 0 EHADHO Brc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000415080018 1017520850 /nfs/dbraw/zinc/52/08/50/1017520850.db2.gz JABXQXMLYLDTRR-CXAGYDPISA-N 1 3 337.305 3.880 20 0 EHADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415110021 1017557445 /nfs/dbraw/zinc/55/74/45/1017557445.db2.gz PUKWKFYPXMCVLG-CZUORRHYSA-N 1 3 326.406 3.857 20 0 EHADHO Cc1nn(-c2ccc(C)cc2)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000656249703 1019613106 /nfs/dbraw/zinc/61/31/06/1019613106.db2.gz ANRYLWAGOYYOEL-UHFFFAOYSA-N 1 3 340.515 3.653 20 0 EHADHO C[C@H](CN(C)Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000513482793 1019721414 /nfs/dbraw/zinc/72/14/14/1019721414.db2.gz HOMZGZNAYOSEGL-LJQANCHMSA-N 1 3 343.559 3.894 20 0 EHADHO CC(C)CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000501035313 1020672328 /nfs/dbraw/zinc/67/23/28/1020672328.db2.gz HVADISVPVLZQIW-LJQANCHMSA-N 1 3 325.585 3.843 20 0 EHADHO CC[C@@H](c1ccccc1)[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000501098622 1020704609 /nfs/dbraw/zinc/70/46/09/1020704609.db2.gz AEAJHZXFMXJJBW-NRFANRHFSA-N 1 3 331.548 3.876 20 0 EHADHO CC[C@@H](c1ccccc1)[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000501098622 1020704617 /nfs/dbraw/zinc/70/46/17/1020704617.db2.gz AEAJHZXFMXJJBW-NRFANRHFSA-N 1 3 331.548 3.876 20 0 EHADHO CC(C)C[C@@H](CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000684359946 1021275060 /nfs/dbraw/zinc/27/50/60/1021275060.db2.gz LWNJVIALBIGRAO-FCHUYYIVSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)C[C@@H](CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000684359946 1021275072 /nfs/dbraw/zinc/27/50/72/1021275072.db2.gz LWNJVIALBIGRAO-FCHUYYIVSA-N 1 3 343.559 3.528 20 0 EHADHO Cc1ccc2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000187474415 1021832235 /nfs/dbraw/zinc/83/22/35/1021832235.db2.gz XPMAMBARWJFQCD-KNQAVFIVSA-N 1 3 335.495 3.992 20 0 EHADHO Cc1ccc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000187474415 1021832254 /nfs/dbraw/zinc/83/22/54/1021832254.db2.gz XPMAMBARWJFQCD-KNQAVFIVSA-N 1 3 335.495 3.992 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)c2ccccc21 ZINC000226358346 1033009750 /nfs/dbraw/zinc/00/97/50/1033009750.db2.gz BUDSXHJXZUBIHP-ZIAGYGMSSA-N 1 3 337.286 3.788 20 0 EHADHO N[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)c2ccccc21 ZINC000226358355 1033010552 /nfs/dbraw/zinc/01/05/52/1033010552.db2.gz BUDSXHJXZUBIHP-KGLIPLIRSA-N 1 3 337.286 3.788 20 0 EHADHO COc1nc2ccccc2cc1CNCCCCC[NH+]1CCCC1 ZINC000581897748 1022217426 /nfs/dbraw/zinc/21/74/26/1022217426.db2.gz PLYAHLCNPCMQEM-UHFFFAOYSA-N 1 3 327.472 3.599 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H](C)O1 ZINC000438180146 1022444877 /nfs/dbraw/zinc/44/48/77/1022444877.db2.gz SQHMXRNZFVAKKY-KIZRIRGWSA-N 1 3 344.543 3.976 20 0 EHADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2cccs2)cc1 ZINC000151357741 1024104411 /nfs/dbraw/zinc/10/44/11/1024104411.db2.gz GZRZECYBMDBDKA-MRXNPFEDSA-N 1 3 344.524 3.913 20 0 EHADHO C[C@@H]1CC(NCCc2ccccc2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168021619 1024116007 /nfs/dbraw/zinc/11/60/07/1024116007.db2.gz QOAQBKQLHKWJCN-QZTJIDSGSA-N 1 3 338.495 3.966 20 0 EHADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CCCC1 ZINC000623853798 1024306062 /nfs/dbraw/zinc/30/60/62/1024306062.db2.gz IBYJQFQZYFNEFH-LBPRGKRZSA-N 1 3 349.828 3.760 20 0 EHADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)NCCC[NH+]1CCCC1 ZINC000623853798 1024306079 /nfs/dbraw/zinc/30/60/79/1024306079.db2.gz IBYJQFQZYFNEFH-LBPRGKRZSA-N 1 3 349.828 3.760 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c1C ZINC000414857728 1024499737 /nfs/dbraw/zinc/49/97/37/1024499737.db2.gz FOVAOWKKBHKGTH-INIZCTEOSA-N 1 3 331.504 3.662 20 0 EHADHO C[C@@H]1C[C@@H](NCCOC2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168028717 1024515081 /nfs/dbraw/zinc/51/50/81/1024515081.db2.gz QMEQZWCWUJBTPH-OPVJXMOQSA-N 1 3 330.516 3.977 20 0 EHADHO C[C@@H]1C[C@@H](NCCOC2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028717 1024515086 /nfs/dbraw/zinc/51/50/86/1024515086.db2.gz QMEQZWCWUJBTPH-OPVJXMOQSA-N 1 3 330.516 3.977 20 0 EHADHO CCOP(=O)(CCC[NH+]1CCC(CC)(N2CCC2)CC1)OCC ZINC000895821663 1024874196 /nfs/dbraw/zinc/87/41/96/1024874196.db2.gz HENWEJDAMOAWJN-UHFFFAOYSA-N 1 3 346.452 3.593 20 0 EHADHO CCN1CCC([NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011798 1025021861 /nfs/dbraw/zinc/02/18/61/1025021861.db2.gz SNDVSTODYSTESX-ROUUACIJSA-N 1 3 329.532 3.502 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044436 1025459942 /nfs/dbraw/zinc/45/99/42/1025459942.db2.gz FJGAAKJTYUOTTG-TZIWHRDSSA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044436 1025459947 /nfs/dbraw/zinc/45/99/47/1025459947.db2.gz FJGAAKJTYUOTTG-TZIWHRDSSA-N 1 3 328.500 3.542 20 0 EHADHO Cc1ccc(CNCc2ccnn2-c2cc[nH+]cc2)c(OCC2CC2)c1 ZINC000657396562 1025919515 /nfs/dbraw/zinc/91/95/15/1025919515.db2.gz MKTHQXXMEVEKJO-UHFFFAOYSA-N 1 3 348.450 3.654 20 0 EHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000530939610 1026421612 /nfs/dbraw/zinc/42/16/12/1026421612.db2.gz DUXGKIRBOVJMCJ-IRXDYDNUSA-N 1 3 334.479 3.537 20 0 EHADHO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000530939610 1026421619 /nfs/dbraw/zinc/42/16/19/1026421619.db2.gz DUXGKIRBOVJMCJ-IRXDYDNUSA-N 1 3 334.479 3.537 20 0 EHADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272765288 1027101095 /nfs/dbraw/zinc/10/10/95/1027101095.db2.gz LYONJRCRZLDMRY-QINHECLXSA-N 1 3 341.499 3.895 20 0 EHADHO Cc1cccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272845555 1027143476 /nfs/dbraw/zinc/14/34/76/1027143476.db2.gz SAJWWOAHHIMPDM-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272845555 1027143485 /nfs/dbraw/zinc/14/34/85/1027143485.db2.gz SAJWWOAHHIMPDM-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845555 1027143490 /nfs/dbraw/zinc/14/34/90/1027143490.db2.gz SAJWWOAHHIMPDM-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NC/C(C)=C\c2ccccc2)[C@@H](C)C1 ZINC000501428766 1027276622 /nfs/dbraw/zinc/27/66/22/1027276622.db2.gz ZFFTVWGTRFXQFW-UUNCMCMBSA-N 1 3 330.516 3.817 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NC/C(C)=C\c2ccccc2)[C@@H](C)C1 ZINC000501428766 1027276634 /nfs/dbraw/zinc/27/66/34/1027276634.db2.gz ZFFTVWGTRFXQFW-UUNCMCMBSA-N 1 3 330.516 3.817 20 0 EHADHO [NH3+]C[C@@H](NCCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000420368260 1027493440 /nfs/dbraw/zinc/49/34/40/1027493440.db2.gz NLLJVKSJZVFTGK-HXUWFJFHSA-N 1 3 339.483 3.666 20 0 EHADHO COc1cc(C)ccc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000119809016 1027809718 /nfs/dbraw/zinc/80/97/18/1027809718.db2.gz IGQUCVALHHJZIK-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422736164 1027881548 /nfs/dbraw/zinc/88/15/48/1027881548.db2.gz XOKCILYWYNAWDC-SQNIBIBYSA-N 1 3 335.561 3.785 20 0 EHADHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC1CCCC1 ZINC000422715676 1027884710 /nfs/dbraw/zinc/88/47/10/1027884710.db2.gz SOTFXSKHYLTSNM-AEFFLSMTSA-N 1 3 332.488 3.624 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cs1 ZINC000339072905 1027886909 /nfs/dbraw/zinc/88/69/09/1027886909.db2.gz ZAWKDPMOTYMBFI-CABCVRRESA-N 1 3 347.553 3.939 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)s2)cs1 ZINC000339072905 1027886927 /nfs/dbraw/zinc/88/69/27/1027886927.db2.gz ZAWKDPMOTYMBFI-CABCVRRESA-N 1 3 347.553 3.939 20 0 EHADHO FC(F)(F)c1csc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422800869 1027951417 /nfs/dbraw/zinc/95/14/17/1027951417.db2.gz AOQGELJLRZCKLY-YNEHKIRRSA-N 1 3 347.450 3.605 20 0 EHADHO COc1ccccc1C[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422832486 1027973189 /nfs/dbraw/zinc/97/31/89/1027973189.db2.gz XSGSNTMICNRCJE-JXFKEZNVSA-N 1 3 341.499 3.775 20 0 EHADHO CC[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422855264 1027991256 /nfs/dbraw/zinc/99/12/56/1027991256.db2.gz VGRBLIKEIJIFLV-ZTNFWEORSA-N 1 3 330.447 3.531 20 0 EHADHO CCc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422853151 1027991734 /nfs/dbraw/zinc/99/17/34/1027991734.db2.gz BNZQEJULMVWIJF-IEBWSBKVSA-N 1 3 328.481 3.656 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422842838 1028002989 /nfs/dbraw/zinc/00/29/89/1028002989.db2.gz GPVXTLZDPMJVGO-UHOSZYNNSA-N 1 3 335.923 3.584 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cc(Br)cs1 ZINC000422898658 1028035403 /nfs/dbraw/zinc/03/54/03/1028035403.db2.gz MMZPSFCDCYCASP-SECBINFHSA-N 1 3 340.290 3.524 20 0 EHADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422910575 1028043164 /nfs/dbraw/zinc/04/31/64/1028043164.db2.gz IPIARURRBNJIFO-CFZJUORYSA-N 1 3 347.890 3.929 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913322 1028045040 /nfs/dbraw/zinc/04/50/40/1028045040.db2.gz YFYGSAIYZOJIPK-OXQOHEQNSA-N 1 3 344.547 3.544 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913322 1028045060 /nfs/dbraw/zinc/04/50/60/1028045060.db2.gz YFYGSAIYZOJIPK-OXQOHEQNSA-N 1 3 344.547 3.544 20 0 EHADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C12CCCCC2 ZINC000422924066 1028055408 /nfs/dbraw/zinc/05/54/08/1028055408.db2.gz XMOJXQPKHVOWJQ-KFKAGJAMSA-N 1 3 331.504 3.627 20 0 EHADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422939803 1028066922 /nfs/dbraw/zinc/06/69/22/1028066922.db2.gz RVHHRWZJGRWLBH-JAXLGGSGSA-N 1 3 334.463 3.828 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422941682 1028069589 /nfs/dbraw/zinc/06/95/89/1028069589.db2.gz VJTILRUNSBYGLR-OALUTQOASA-N 1 3 332.875 3.773 20 0 EHADHO CC(C)(C)c1nc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000423022890 1028133616 /nfs/dbraw/zinc/13/36/16/1028133616.db2.gz IMXSWZBMAAEBDU-IXDOHACOSA-N 1 3 335.561 3.884 20 0 EHADHO CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1cccc(C(F)(F)F)c1 ZINC000423048315 1028134383 /nfs/dbraw/zinc/13/43/83/1028134383.db2.gz IIZXCYPDBUSDPY-YESZJQIVSA-N 1 3 343.437 3.558 20 0 EHADHO CN(C)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423048315 1028134389 /nfs/dbraw/zinc/13/43/89/1028134389.db2.gz IIZXCYPDBUSDPY-YESZJQIVSA-N 1 3 343.437 3.558 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423038952 1028143558 /nfs/dbraw/zinc/14/35/58/1028143558.db2.gz DSOYNHFEMHBTPP-IIYDPXPESA-N 1 3 342.314 3.550 20 0 EHADHO CC[C@H](CC(F)(F)F)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039753 1028146335 /nfs/dbraw/zinc/14/63/35/1028146335.db2.gz RLBILDGVQBJBHN-XPKDYRNWSA-N 1 3 328.378 3.563 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423096756 1028178981 /nfs/dbraw/zinc/17/89/81/1028178981.db2.gz PSXJMVDDPVUGKV-QCQGSNGOSA-N 1 3 341.268 3.551 20 0 EHADHO C[C@H]([NH2+]CCCNCc1cccnc1)c1ccccc1Br ZINC000423191176 1028260931 /nfs/dbraw/zinc/26/09/31/1028260931.db2.gz SJAKTRWBNAVWCG-AWEZNQCLSA-N 1 3 348.288 3.675 20 0 EHADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423221735 1028291644 /nfs/dbraw/zinc/29/16/44/1028291644.db2.gz XVPJVXJIQZVDGM-XPKDYRNWSA-N 1 3 325.294 3.878 20 0 EHADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421371343 1028328739 /nfs/dbraw/zinc/32/87/39/1028328739.db2.gz JQQDCTPODAEXKI-UHFFFAOYSA-N 1 3 341.543 3.556 20 0 EHADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421371343 1028328761 /nfs/dbraw/zinc/32/87/61/1028328761.db2.gz JQQDCTPODAEXKI-UHFFFAOYSA-N 1 3 341.543 3.556 20 0 EHADHO C[C@@H](CN(C)[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730534 1028336000 /nfs/dbraw/zinc/33/60/00/1028336000.db2.gz DSWPKNOHRMZEGL-BBRMVZONSA-N 1 3 325.294 3.627 20 0 EHADHO [NH3+]CCCCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423315134 1028346399 /nfs/dbraw/zinc/34/63/99/1028346399.db2.gz AKPOQUJNSHILMD-LJQANCHMSA-N 1 3 346.858 3.529 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)Cc2ccc(F)cc2)cc1 ZINC000423322283 1028348637 /nfs/dbraw/zinc/34/86/37/1028348637.db2.gz GKJJEZQPXNRLNL-NQERJWCQSA-N 1 3 342.458 3.501 20 0 EHADHO COc1cc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)ccc1OC(F)F ZINC000423361855 1028388854 /nfs/dbraw/zinc/38/88/54/1028388854.db2.gz SGNFYJGYJXGSHN-GFCCVEGCSA-N 1 3 348.393 3.751 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000423419478 1028413118 /nfs/dbraw/zinc/41/31/18/1028413118.db2.gz IVHXYYIAJJSHDL-AVYPCKFXSA-N 1 3 345.437 3.804 20 0 EHADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466275 1028453806 /nfs/dbraw/zinc/45/38/06/1028453806.db2.gz NFYAFYFEPFGDBV-DZGCQCFKSA-N 1 3 331.485 3.523 20 0 EHADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423502816 1028467588 /nfs/dbraw/zinc/46/75/88/1028467588.db2.gz KFMRBAZCVQKKLA-PVUWLOKVSA-N 1 3 349.272 3.849 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@](C)(O)c1cccs1 ZINC000237132362 1028616580 /nfs/dbraw/zinc/61/65/80/1028616580.db2.gz BXZUREXIFPIPGF-FQEVSTJZSA-N 1 3 346.540 3.703 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@](C)(O)c1cccs1 ZINC000237132362 1028616589 /nfs/dbraw/zinc/61/65/89/1028616589.db2.gz BXZUREXIFPIPGF-FQEVSTJZSA-N 1 3 346.540 3.703 20 0 EHADHO CC(C)n1cncc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000424157017 1028847594 /nfs/dbraw/zinc/84/75/94/1028847594.db2.gz QGHMALQFSDSEKZ-WGMWDUQUSA-N 1 3 340.515 3.710 20 0 EHADHO C[C@H]1CC2(CN1Cc1ncc(-c3cccc(Cl)c3)o1)CC[NH2+]CC2 ZINC000424286040 1028927559 /nfs/dbraw/zinc/92/75/59/1028927559.db2.gz GUMAFAVTFCRWAN-AWEZNQCLSA-N 1 3 345.874 3.959 20 0 EHADHO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cnn1C ZINC000249039695 1028978766 /nfs/dbraw/zinc/97/87/66/1028978766.db2.gz UJYZFGNUOLOEJG-GEALJGNFSA-N 1 3 338.499 3.575 20 0 EHADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OCc1ccccc1 ZINC000424367885 1029031737 /nfs/dbraw/zinc/03/17/37/1029031737.db2.gz OHQLTZMDVPBPKK-RTBURBONSA-N 1 3 340.467 3.634 20 0 EHADHO CCOc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162596432 1029071658 /nfs/dbraw/zinc/07/16/58/1029071658.db2.gz ZYFAUHAIBOYLCT-KRWDZBQOSA-N 1 3 342.483 3.877 20 0 EHADHO Cc1ccc2ncc(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000272149901 1029333871 /nfs/dbraw/zinc/33/38/71/1029333871.db2.gz DEPJNHFBMCBGRH-QUCCMNQESA-N 1 3 348.494 3.643 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272164181 1029339577 /nfs/dbraw/zinc/33/95/77/1029339577.db2.gz GNFISHKJWROWOJ-YLJYHZDGSA-N 1 3 348.494 3.574 20 0 EHADHO CC(C)C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000162844788 1029579573 /nfs/dbraw/zinc/57/95/73/1029579573.db2.gz USDWSIVQOSFDDK-NSHGMRRFSA-N 1 3 333.520 3.648 20 0 EHADHO CC(C)[NH+]1CCC(N(C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000446839690 1029821777 /nfs/dbraw/zinc/82/17/77/1029821777.db2.gz BQQJPQKJOWOIAH-UHFFFAOYSA-N 1 3 344.421 3.932 20 0 EHADHO CN(C)Cc1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000120822303 1030115896 /nfs/dbraw/zinc/11/58/96/1030115896.db2.gz CDTDHCAZLOTSSP-UHFFFAOYSA-N 1 3 347.522 3.774 20 0 EHADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000481923655 1030125228 /nfs/dbraw/zinc/12/52/28/1030125228.db2.gz RCNJQAFRZYINBX-GJZGRUSLSA-N 1 3 328.422 3.958 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000090522380 1030134061 /nfs/dbraw/zinc/13/40/61/1030134061.db2.gz GOUXJIPJKZIVIA-ACRUOGEOSA-N 1 3 330.516 3.885 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)s1 ZINC000090522571 1030137366 /nfs/dbraw/zinc/13/73/66/1030137366.db2.gz ZQFUPPMOYVYNBU-CCKFTAQKSA-N 1 3 336.545 3.783 20 0 EHADHO Cc1cnccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771323 1030155537 /nfs/dbraw/zinc/15/55/37/1030155537.db2.gz BGCZWSHOPCJUEK-OAQYLSRUSA-N 1 3 335.495 3.782 20 0 EHADHO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000453444259 1030264404 /nfs/dbraw/zinc/26/44/04/1030264404.db2.gz XVXGIADZIAUPTK-XRXFAXGQSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598347 1030336238 /nfs/dbraw/zinc/33/62/38/1030336238.db2.gz HSOXCXORRROGFV-QSPRXWTASA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598347 1030336252 /nfs/dbraw/zinc/33/62/52/1030336252.db2.gz HSOXCXORRROGFV-QSPRXWTASA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447854312 1030544814 /nfs/dbraw/zinc/54/48/14/1030544814.db2.gz KXZJKAMZCCXMCA-QZTJIDSGSA-N 1 3 340.515 3.924 20 0 EHADHO C[C@H]1C[C@@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644448 1030647523 /nfs/dbraw/zinc/64/75/23/1030647523.db2.gz KTPZOOCBPAEUFU-PXNSSMCTSA-N 1 3 348.494 3.940 20 0 EHADHO C[C@H]1C[C@@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644448 1030647541 /nfs/dbraw/zinc/64/75/41/1030647541.db2.gz KTPZOOCBPAEUFU-PXNSSMCTSA-N 1 3 348.494 3.940 20 0 EHADHO Fc1ccc2c(c1)C[C@@H]1[C@@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000657790319 1030647863 /nfs/dbraw/zinc/64/78/63/1030647863.db2.gz WXIUYIXIXSQIGQ-PWRODBHTSA-N 1 3 328.475 3.851 20 0 EHADHO C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(OCC[NH+](C)C)cc1 ZINC000130243458 1030690957 /nfs/dbraw/zinc/69/09/57/1030690957.db2.gz RVXBSIFQCFAJDL-MGPUTAFESA-N 1 3 340.467 3.671 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681996 1030745929 /nfs/dbraw/zinc/74/59/29/1030745929.db2.gz JMWROZLYCJWGFP-YYWHXJBOSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157681996 1030745942 /nfs/dbraw/zinc/74/59/42/1030745942.db2.gz JMWROZLYCJWGFP-YYWHXJBOSA-N 1 3 348.531 3.873 20 0 EHADHO CCC1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550881708 1030757065 /nfs/dbraw/zinc/75/70/65/1030757065.db2.gz CABKRJDLHPSJBI-VEDCXYSMSA-N 1 3 342.527 3.693 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCSc2ccc(OC)cc21 ZINC000650756675 1030775794 /nfs/dbraw/zinc/77/57/94/1030775794.db2.gz HQSSYSIILLXYIB-GOSISDBHSA-N 1 3 328.481 3.741 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2c(C3CC3)cnn2C)CC1)CC(C)C ZINC000668168174 1030830216 /nfs/dbraw/zinc/83/02/16/1030830216.db2.gz PTOOJGMFLLDPNR-UHFFFAOYSA-N 1 3 346.563 3.878 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2c(C3CC3)cnn2C)CC1)CC(C)C ZINC000668168174 1030830235 /nfs/dbraw/zinc/83/02/35/1030830235.db2.gz PTOOJGMFLLDPNR-UHFFFAOYSA-N 1 3 346.563 3.878 20 0 EHADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(CN(C)C)CCCC1)CCS2 ZINC000343472747 1031022628 /nfs/dbraw/zinc/02/26/28/1031022628.db2.gz WGIRNVLRTYTZSI-QGZVFWFLSA-N 1 3 334.529 3.944 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]CC(C)(C)CN2CCCC2)cc1F ZINC000483424749 1031158113 /nfs/dbraw/zinc/15/81/13/1031158113.db2.gz FRAXTEQTXJHLHR-MRXNPFEDSA-N 1 3 336.495 3.725 20 0 EHADHO CC[C@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000685443818 1033336916 /nfs/dbraw/zinc/33/69/16/1033336916.db2.gz PZEQSEZIQUUYLX-UBLGTCEWSA-N 1 3 346.515 3.930 20 0 EHADHO CC[C@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC ZINC000685443818 1033336926 /nfs/dbraw/zinc/33/69/26/1033336926.db2.gz PZEQSEZIQUUYLX-UBLGTCEWSA-N 1 3 346.515 3.930 20 0 EHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000594494857 1033397253 /nfs/dbraw/zinc/39/72/53/1033397253.db2.gz JJBQJERMUORVDU-OXJNMPFZSA-N 1 3 344.499 3.561 20 0 EHADHO Cc1ncsc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472350336 1033767200 /nfs/dbraw/zinc/76/72/00/1033767200.db2.gz TUXLYIBQSPVUDG-QZTJIDSGSA-N 1 3 329.513 3.624 20 0 EHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017770 1033843620 /nfs/dbraw/zinc/84/36/20/1033843620.db2.gz BBHGXCPZBGMUGB-VQTJNVASSA-N 1 3 328.500 3.590 20 0 EHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017772 1033844039 /nfs/dbraw/zinc/84/40/39/1033844039.db2.gz BBHGXCPZBGMUGB-WOJBJXKFSA-N 1 3 328.500 3.590 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc([S@](C)=O)cc2)c1 ZINC000085306372 1033952071 /nfs/dbraw/zinc/95/20/71/1033952071.db2.gz LWGMPWHAQHMIQS-XMMPIXPASA-N 1 3 344.524 3.554 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc([S@](C)=O)cc2)c1 ZINC000085306372 1033952086 /nfs/dbraw/zinc/95/20/86/1033952086.db2.gz LWGMPWHAQHMIQS-XMMPIXPASA-N 1 3 344.524 3.554 20 0 EHADHO C[C@@H](COc1c(F)cccc1F)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658178790 1034022183 /nfs/dbraw/zinc/02/21/83/1034022183.db2.gz VBSDDIWOIWPJQW-ZDUSSCGKSA-N 1 3 326.431 3.585 20 0 EHADHO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1 ZINC000120837586 1034181613 /nfs/dbraw/zinc/18/16/13/1034181613.db2.gz YYAXIDKRXIELNU-CQSZACIVSA-N 1 3 346.446 3.755 20 0 EHADHO CC(C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N1CCCCC1 ZINC000456273685 1034272532 /nfs/dbraw/zinc/27/25/32/1034272532.db2.gz MFJSZDWGPUVHLY-WOJBJXKFSA-N 1 3 343.515 3.685 20 0 EHADHO CN(C)Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456287911 1034279139 /nfs/dbraw/zinc/27/91/39/1034279139.db2.gz WGLPZFAVLPYWHD-HXUWFJFHSA-N 1 3 337.467 3.549 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185876 1034444041 /nfs/dbraw/zinc/44/40/41/1034444041.db2.gz QECJZTWZAVKVBQ-RBBKRZOGSA-N 1 3 346.478 3.797 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccccc1 ZINC000340185876 1034444050 /nfs/dbraw/zinc/44/40/50/1034444050.db2.gz QECJZTWZAVKVBQ-RBBKRZOGSA-N 1 3 346.478 3.797 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000450540991 1034515835 /nfs/dbraw/zinc/51/58/35/1034515835.db2.gz PRVYXZZDOZRLQG-HXUWFJFHSA-N 1 3 325.456 3.554 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000450540991 1034515845 /nfs/dbraw/zinc/51/58/45/1034515845.db2.gz PRVYXZZDOZRLQG-HXUWFJFHSA-N 1 3 325.456 3.554 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000121455257 1034958294 /nfs/dbraw/zinc/95/82/94/1034958294.db2.gz CFGGPDFOYARFPD-VQIMIIECSA-N 1 3 330.472 3.659 20 0 EHADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696894 1035595125 /nfs/dbraw/zinc/59/51/25/1035595125.db2.gz YQDHBNXIVCBBGX-UKRRQHHQSA-N 1 3 330.394 3.676 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136042 1035700805 /nfs/dbraw/zinc/70/08/05/1035700805.db2.gz HPHPKARTABPLTP-MJGOQNOKSA-N 1 3 349.950 3.592 20 0 EHADHO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000588204815 1035822225 /nfs/dbraw/zinc/82/22/25/1035822225.db2.gz ZGQDUYWPIIKTFW-DLBZAZTESA-N 1 3 338.536 3.599 20 0 EHADHO CCOC1CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000189263384 1036048552 /nfs/dbraw/zinc/04/85/52/1036048552.db2.gz ZXXFLIBFFUEHGT-RYTOZCKSSA-N 1 3 342.527 3.692 20 0 EHADHO Cc1cc([C@@H](NCC2(C)CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000541571810 1036462598 /nfs/dbraw/zinc/46/25/98/1036462598.db2.gz ZPUAKIZHBGJUHW-HXUWFJFHSA-N 1 3 341.474 3.940 20 0 EHADHO Cc1cc([C@H](NCC2(C)CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000541571809 1036463538 /nfs/dbraw/zinc/46/35/38/1036463538.db2.gz ZPUAKIZHBGJUHW-FQEVSTJZSA-N 1 3 341.474 3.940 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CC1(F)F ZINC000666229571 1036521655 /nfs/dbraw/zinc/52/16/55/1036521655.db2.gz RLULLAXBQKLBHS-SXXASDTRSA-N 1 3 334.454 3.920 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CC3 ZINC000493275600 1037192127 /nfs/dbraw/zinc/19/21/27/1037192127.db2.gz ACQKWPSDWYSRKX-GVDBMIGSSA-N 1 3 325.500 3.796 20 0 EHADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1OCc1ccccc1 ZINC000491595406 1037576707 /nfs/dbraw/zinc/57/67/07/1037576707.db2.gz ZTFFDPDPZNQPDH-QGZVFWFLSA-N 1 3 342.483 3.562 20 0 EHADHO CC(C)[C@@H]1C[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653897 1037672012 /nfs/dbraw/zinc/67/20/12/1037672012.db2.gz BJWZLYHWPZOXEH-JRGCBEDISA-N 1 3 330.516 3.962 20 0 EHADHO CC(C)[C@@H]1C[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653897 1037672025 /nfs/dbraw/zinc/67/20/25/1037672025.db2.gz BJWZLYHWPZOXEH-JRGCBEDISA-N 1 3 330.516 3.962 20 0 EHADHO C[C@@H]1CSCC[N@H+]1Cc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693042 /nfs/dbraw/zinc/69/30/42/1037693042.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@@H]1CSCC[N@@H+]1Cc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693046 /nfs/dbraw/zinc/69/30/46/1037693046.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@@H]1CSCCN1Cc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693050 /nfs/dbraw/zinc/69/30/50/1037693050.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@@H]1CSCCN1Cc1ccc(C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000532578658 1037693053 /nfs/dbraw/zinc/69/30/53/1037693053.db2.gz MFESCNVUZGXHIJ-IYBDPMFKSA-N 1 3 336.570 3.561 20 0 EHADHO CC[NH+]1CCC(N[C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493905116 1037703507 /nfs/dbraw/zinc/70/35/07/1037703507.db2.gz GOFJLSYDIHZHTC-MRXNPFEDSA-N 1 3 337.305 3.819 20 0 EHADHO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000689869372 1038596519 /nfs/dbraw/zinc/59/65/19/1038596519.db2.gz MJJSCFOLXWXTCD-GIVPXCGWSA-N 1 3 330.516 3.693 20 0 EHADHO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182734054 1038632434 /nfs/dbraw/zinc/63/24/34/1038632434.db2.gz UTGBSLLBXWGIAI-SJORKVTESA-N 1 3 334.504 3.757 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC4CCOCC4)[C@@H]3C2)cc1 ZINC000552047775 1038913863 /nfs/dbraw/zinc/91/38/63/1038913863.db2.gz XVYXQDWDIBIFBW-BDTNDASRSA-N 1 3 342.527 3.693 20 0 EHADHO CCCOc1c(CN(C)CC2CC[NH+](C)CC2)cccc1OCC ZINC000093088980 1038996389 /nfs/dbraw/zinc/99/63/89/1038996389.db2.gz QUTARIPZUJQQLT-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159849 1039328508 /nfs/dbraw/zinc/32/85/08/1039328508.db2.gz UXSPXRONLAWMCO-WOJBJXKFSA-N 1 3 336.483 3.943 20 0 EHADHO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159849 1039328524 /nfs/dbraw/zinc/32/85/24/1039328524.db2.gz UXSPXRONLAWMCO-WOJBJXKFSA-N 1 3 336.483 3.943 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1OCc1ccccc1 ZINC000245600438 1040149678 /nfs/dbraw/zinc/14/96/78/1040149678.db2.gz FLBYQEHFBKDVBN-IYWMVGAKSA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1OCc1ccccc1 ZINC000245600438 1040149693 /nfs/dbraw/zinc/14/96/93/1040149693.db2.gz FLBYQEHFBKDVBN-IYWMVGAKSA-N 1 3 328.500 3.587 20 0 EHADHO OC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000512622318 1040290097 /nfs/dbraw/zinc/29/00/97/1040290097.db2.gz ANPNCNOKHBYWPC-PCCBWWKXSA-N 1 3 342.527 3.572 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000512637448 1040362146 /nfs/dbraw/zinc/36/21/46/1040362146.db2.gz VYNKRZDHQPILDE-BDTNDASRSA-N 1 3 342.527 3.693 20 0 EHADHO c1cnn([C@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC000411230212 1040587966 /nfs/dbraw/zinc/58/79/66/1040587966.db2.gz UZCDRPWFTMTOHC-NRFANRHFSA-N 1 3 338.499 3.706 20 0 EHADHO C[N@@H+]1CCC[C@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157170967 1040749517 /nfs/dbraw/zinc/74/95/17/1040749517.db2.gz PYZZUBHUZCNANB-RDJZCZTQSA-N 1 3 342.405 3.544 20 0 EHADHO C[N@H+]1CCC[C@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157170967 1040749534 /nfs/dbraw/zinc/74/95/34/1040749534.db2.gz PYZZUBHUZCNANB-RDJZCZTQSA-N 1 3 342.405 3.544 20 0 EHADHO CN1CC[C@@H]([NH2+]CCCN2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000571329604 1041269396 /nfs/dbraw/zinc/26/93/96/1041269396.db2.gz CDGHMIHNMQZNRP-MOPGFXCFSA-N 1 3 335.923 3.551 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)C1 ZINC000513031054 1041400853 /nfs/dbraw/zinc/40/08/53/1041400853.db2.gz WFBGKAJVRSNJNH-DABHTEOTSA-N 1 3 334.548 3.823 20 0 EHADHO FC(F)(F)CCC(CCC(F)(F)F)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925711671 1041677560 /nfs/dbraw/zinc/67/75/60/1041677560.db2.gz ZNKBBDIPAZWPDC-WXDOIIRRSA-N 1 3 344.343 3.626 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000421845827 1041944588 /nfs/dbraw/zinc/94/45/88/1041944588.db2.gz YAUJMIROPINPQD-YTQUADARSA-N 1 3 327.516 3.572 20 0 EHADHO c1cn([C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)cn1 ZINC000662751189 1042013539 /nfs/dbraw/zinc/01/35/39/1042013539.db2.gz OKYOMQNFMZFCOI-OAQYLSRUSA-N 1 3 338.499 3.706 20 0 EHADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1F ZINC000661486163 1042143314 /nfs/dbraw/zinc/14/33/14/1042143314.db2.gz TUXJSXBLKRVBQP-HXUWFJFHSA-N 1 3 335.511 3.529 20 0 EHADHO Cc1cccc2ncc(CNCc3cccc(C[N@@H+](C)C(C)C)c3)n21 ZINC000343878725 1042203352 /nfs/dbraw/zinc/20/33/52/1042203352.db2.gz WWPSWDGKKNCXJO-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO Cc1cccc2ncc(CNCc3cccc(C[N@H+](C)C(C)C)c3)n21 ZINC000343878725 1042203355 /nfs/dbraw/zinc/20/33/55/1042203355.db2.gz WWPSWDGKKNCXJO-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925736090 1042426189 /nfs/dbraw/zinc/42/61/89/1042426189.db2.gz YPYPQHMAIHTYJL-MWDXBVQZSA-N 1 3 330.438 3.889 20 0 EHADHO C[C@@H](c1cccs1)N(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253404 1042636561 /nfs/dbraw/zinc/63/65/61/1042636561.db2.gz USYVSUJFBLDMJX-WMZOPIPTSA-N 1 3 342.508 3.832 20 0 EHADHO CCc1nc(C)c([C@H](C)N(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662261974 1042639687 /nfs/dbraw/zinc/63/96/87/1042639687.db2.gz CPTQYPIRIOSNSG-AWEZNQCLSA-N 1 3 329.513 3.853 20 0 EHADHO Cc1ccccc1-c1cnc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662296173 1042664942 /nfs/dbraw/zinc/66/49/42/1042664942.db2.gz YLBMCPWPLXQOEU-GOSISDBHSA-N 1 3 339.483 3.862 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663465279 1042884168 /nfs/dbraw/zinc/88/41/68/1042884168.db2.gz JAIQNPBTCSSREH-FBRLZHCOSA-N 1 3 342.527 3.899 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404083 1043098003 /nfs/dbraw/zinc/09/80/03/1043098003.db2.gz CUDPNONUSMIQQQ-MSOLQXFVSA-N 1 3 330.516 3.717 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404083 1043098014 /nfs/dbraw/zinc/09/80/14/1043098014.db2.gz CUDPNONUSMIQQQ-MSOLQXFVSA-N 1 3 330.516 3.717 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419329 1043153023 /nfs/dbraw/zinc/15/30/23/1043153023.db2.gz BCWKHILCWCIHAV-LSDHHAIUSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419329 1043153025 /nfs/dbraw/zinc/15/30/25/1043153025.db2.gz BCWKHILCWCIHAV-LSDHHAIUSA-N 1 3 344.421 3.857 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512150235 1043470543 /nfs/dbraw/zinc/47/05/43/1043470543.db2.gz VIVYWDVJLQGEHR-UNMCSNQZSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512150235 1043470550 /nfs/dbraw/zinc/47/05/50/1043470550.db2.gz VIVYWDVJLQGEHR-UNMCSNQZSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512150233 1043471477 /nfs/dbraw/zinc/47/14/77/1043471477.db2.gz VIVYWDVJLQGEHR-RBBKRZOGSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512150233 1043471487 /nfs/dbraw/zinc/47/14/87/1043471487.db2.gz VIVYWDVJLQGEHR-RBBKRZOGSA-N 1 3 343.559 3.876 20 0 EHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344303262 1043615564 /nfs/dbraw/zinc/61/55/64/1043615564.db2.gz SPLDAMYXZANATI-BHDDXSALSA-N 1 3 342.527 3.885 20 0 EHADHO C[C@H](c1cccc(Br)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198209 1044170373 /nfs/dbraw/zinc/17/03/73/1044170373.db2.gz HFTVCZDZOJGLMH-CXAGYDPISA-N 1 3 337.305 3.974 20 0 EHADHO O[C@H](CC1CCCC1)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243282 1044362462 /nfs/dbraw/zinc/36/24/62/1044362462.db2.gz KDXXDTDOAMIAAR-FGZHOGPDSA-N 1 3 342.527 3.526 20 0 EHADHO O[C@H](CC1CCCC1)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512243282 1044362477 /nfs/dbraw/zinc/36/24/77/1044362477.db2.gz KDXXDTDOAMIAAR-FGZHOGPDSA-N 1 3 342.527 3.526 20 0 EHADHO CCC1(CNCc2snnc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000638808703 1044486967 /nfs/dbraw/zinc/48/69/67/1044486967.db2.gz LLSMFUGZKDNNEU-UHFFFAOYSA-N 1 3 344.528 3.629 20 0 EHADHO CC(C)CCOCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432672218 1044700637 /nfs/dbraw/zinc/70/06/37/1044700637.db2.gz SXFWKIPBLMSZSS-GOSISDBHSA-N 1 3 336.545 3.755 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000154214717 1125704278 /nfs/dbraw/zinc/70/42/78/1125704278.db2.gz IFPPCFNCIOSXTO-IBGZPJMESA-N 1 3 331.548 3.563 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000154286951 1125709200 /nfs/dbraw/zinc/70/92/00/1125709200.db2.gz APGUAAVKSZWLEU-GOSISDBHSA-N 1 3 349.588 3.865 20 0 EHADHO C[N@@H+]1CC[C@@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338038 1126920408 /nfs/dbraw/zinc/92/04/08/1126920408.db2.gz HYCHREMETXFVPH-VQIMIIECSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338038 1126920409 /nfs/dbraw/zinc/92/04/09/1126920409.db2.gz HYCHREMETXFVPH-VQIMIIECSA-N 1 3 349.950 3.939 20 0 EHADHO CN1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515962 1126973331 /nfs/dbraw/zinc/97/33/31/1126973331.db2.gz XUEJOPPDXARWIQ-UXHICEINSA-N 1 3 343.559 3.750 20 0 EHADHO Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623951208 1127220979 /nfs/dbraw/zinc/22/09/79/1127220979.db2.gz DHSFGMUPNMXBSE-SFHVURJKSA-N 1 3 347.572 3.829 20 0 EHADHO Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623951208 1127220982 /nfs/dbraw/zinc/22/09/82/1127220982.db2.gz DHSFGMUPNMXBSE-SFHVURJKSA-N 1 3 347.572 3.829 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623986856 1127225146 /nfs/dbraw/zinc/22/51/46/1127225146.db2.gz IZQOHJZIFWDUCA-CEWLAPEOSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H]1C[C@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000183323117 1127372221 /nfs/dbraw/zinc/37/22/21/1127372221.db2.gz GGFLRGHLNFUQBV-IUODEOHRSA-N 1 3 331.287 3.582 20 0 EHADHO C[C@@H]1C[C@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323117 1127372224 /nfs/dbraw/zinc/37/22/24/1127372224.db2.gz GGFLRGHLNFUQBV-IUODEOHRSA-N 1 3 331.287 3.582 20 0 EHADHO COc1ccccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386072645 1127625491 /nfs/dbraw/zinc/62/54/91/1127625491.db2.gz GHHVIEOJSOUIBM-CTNGQTDRSA-N 1 3 336.479 3.649 20 0 EHADHO COc1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000386072645 1127625493 /nfs/dbraw/zinc/62/54/93/1127625493.db2.gz GHHVIEOJSOUIBM-CTNGQTDRSA-N 1 3 336.479 3.649 20 0 EHADHO FC(F)(F)Cc1ccccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000624307880 1127886051 /nfs/dbraw/zinc/88/60/51/1127886051.db2.gz WPYWTMXEENVXLJ-UHFFFAOYSA-N 1 3 326.406 3.755 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000624308814 1127891510 /nfs/dbraw/zinc/89/15/10/1127891510.db2.gz YGPJOCIQXWYFBU-ULQDDVLXSA-N 1 3 326.406 3.754 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccccc2CC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000624308814 1127891512 /nfs/dbraw/zinc/89/15/12/1127891512.db2.gz YGPJOCIQXWYFBU-ULQDDVLXSA-N 1 3 326.406 3.754 20 0 EHADHO COc1ccc([C@@H]2C[C@H]([NH2+]CCCN3CCCC[C@@H]3C)CCO2)cc1 ZINC001168591326 1128179595 /nfs/dbraw/zinc/17/95/95/1128179595.db2.gz USBNQUUBTQQJRS-DSKINZAPSA-N 1 3 346.515 3.769 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(OC)cc2C(F)(F)F)CC1 ZINC000156488587 1128810305 /nfs/dbraw/zinc/81/03/05/1128810305.db2.gz CAEGWJHJQUTPIF-UHFFFAOYSA-N 1 3 330.394 3.678 20 0 EHADHO Cc1cccc2c1[nH+]cc(C)c2N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000185276215 1120407012 /nfs/dbraw/zinc/40/70/12/1120407012.db2.gz UINUQLRATYOYDB-QGZVFWFLSA-N 1 3 339.483 3.541 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCSCC1 ZINC000187155398 1120487984 /nfs/dbraw/zinc/48/79/84/1120487984.db2.gz JODQDOYIJITGAA-IEBWSBKVSA-N 1 3 332.557 3.672 20 0 EHADHO CCN1CCN(c2cccc(NC3CC[NH+](C(C)(C)C)CC3)c2)CC1 ZINC000191885545 1120701170 /nfs/dbraw/zinc/70/11/70/1120701170.db2.gz BPCDEZJCOZXIKN-UHFFFAOYSA-N 1 3 344.547 3.503 20 0 EHADHO C[NH+]1CCC(CCNCc2cc(Br)ccc2Cl)CC1 ZINC000225273503 1120731911 /nfs/dbraw/zinc/73/19/11/1120731911.db2.gz RHAAMDUBUCAILE-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000234252976 1121313125 /nfs/dbraw/zinc/31/31/25/1121313125.db2.gz ROEZLPJHQCPQLK-UHFFFAOYSA-N 1 3 333.701 3.780 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)ccc1OC ZINC000762647919 1121397418 /nfs/dbraw/zinc/39/74/18/1121397418.db2.gz GRGAVZWJMURPRQ-JTDSTZFVSA-N 1 3 334.504 3.613 20 0 EHADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)CN1CCCC1 ZINC000237440451 1121483943 /nfs/dbraw/zinc/48/39/43/1121483943.db2.gz FCQYODGNTCJACE-HOTGVXAUSA-N 1 3 340.458 3.931 20 0 EHADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000397590880 1121811548 /nfs/dbraw/zinc/81/15/48/1121811548.db2.gz MKLSQOLSCKXVDC-LJQANCHMSA-N 1 3 344.524 3.816 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623373 1129028438 /nfs/dbraw/zinc/02/84/38/1129028438.db2.gz SLDVHHHKULVNSS-BDTNDASRSA-N 1 3 343.559 3.704 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623373 1129028442 /nfs/dbraw/zinc/02/84/42/1129028442.db2.gz SLDVHHHKULVNSS-BDTNDASRSA-N 1 3 343.559 3.704 20 0 EHADHO CN(C)C[C@@H](Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000128826673 1122675399 /nfs/dbraw/zinc/67/53/99/1122675399.db2.gz MEZRJMFRHLSEIA-OAQYLSRUSA-N 1 3 343.559 3.546 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113575 1123046066 /nfs/dbraw/zinc/04/60/66/1123046066.db2.gz JDHJCMUNKCTLQC-NWDGAFQWSA-N 1 3 341.268 3.723 20 0 EHADHO CN(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000499154393 1123253723 /nfs/dbraw/zinc/25/37/23/1123253723.db2.gz DCLZDZXHDPETGG-MUSUJDOFSA-N 1 3 349.522 3.908 20 0 EHADHO CN(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499154393 1123253726 /nfs/dbraw/zinc/25/37/26/1123253726.db2.gz DCLZDZXHDPETGG-MUSUJDOFSA-N 1 3 349.522 3.908 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000237404525 1123517331 /nfs/dbraw/zinc/51/73/31/1123517331.db2.gz IRWCXVDSTCHLTP-QZTJIDSGSA-N 1 3 326.484 3.819 20 0 EHADHO C[NH+]1CCC(CCNCc2cc(Cl)ccc2Br)CC1 ZINC000135285089 1123597721 /nfs/dbraw/zinc/59/77/21/1123597721.db2.gz BRKKQJFAGWJMHG-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246027827 1124002650 /nfs/dbraw/zinc/00/26/50/1124002650.db2.gz XKXYZSIZOPQVTB-COXVUDFISA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246027827 1124002656 /nfs/dbraw/zinc/00/26/56/1124002656.db2.gz XKXYZSIZOPQVTB-COXVUDFISA-N 1 3 337.305 3.597 20 0 EHADHO COCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248395664 1124656188 /nfs/dbraw/zinc/65/61/88/1124656188.db2.gz GLLBLDCFRLMPGV-NJDAHSKKSA-N 1 3 330.516 3.693 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000249281803 1124749678 /nfs/dbraw/zinc/74/96/78/1124749678.db2.gz NSOXBGGKEXVOMY-QKPAOTATSA-N 1 3 336.442 3.587 20 0 EHADHO O[C@H](CN1CCCC1)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000735363878 1131337493 /nfs/dbraw/zinc/33/74/93/1131337493.db2.gz FZXOSSOYZJAURA-RTBURBONSA-N 1 3 336.907 3.714 20 0 EHADHO O[C@H](CN1CCCC1)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000735363878 1131337499 /nfs/dbraw/zinc/33/74/99/1131337499.db2.gz FZXOSSOYZJAURA-RTBURBONSA-N 1 3 336.907 3.714 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1CN1CCCCC1 ZINC000182958705 1125407963 /nfs/dbraw/zinc/40/79/63/1125407963.db2.gz DIXIQQCLJUSLDR-DYESRHJHSA-N 1 3 348.531 3.739 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@]2(C)CCCO2)ccc1OC ZINC000183098673 1125443993 /nfs/dbraw/zinc/44/39/93/1125443993.db2.gz LIPYDEYKKZDQFW-JXFKEZNVSA-N 1 3 334.504 3.757 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2cscn2)ccc1OC ZINC000183141905 1125454619 /nfs/dbraw/zinc/45/46/19/1125454619.db2.gz OENVZDMUVAMWJP-OAHLLOKOSA-N 1 3 347.528 3.887 20 0 EHADHO C1C[C@H]([C@@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)CO1 ZINC000466343547 1129393289 /nfs/dbraw/zinc/39/32/89/1129393289.db2.gz MCJZVJPJZBUTDP-WSTZPKSXSA-N 1 3 334.548 3.968 20 0 EHADHO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CC2 ZINC000358956005 1129430413 /nfs/dbraw/zinc/43/04/13/1129430413.db2.gz RDDNNASLAXQLFR-QGZVFWFLSA-N 1 3 332.488 3.544 20 0 EHADHO COCCC1(CN[C@@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000922627041 1129603447 /nfs/dbraw/zinc/60/34/47/1129603447.db2.gz GDAFUSJIFLGHQR-IBGZPJMESA-N 1 3 333.520 3.651 20 0 EHADHO CCCN1CCC([NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000675937541 1130507530 /nfs/dbraw/zinc/50/75/30/1130507530.db2.gz ZFOMUWGNWZDGNX-NGRWLJPCSA-N 1 3 343.559 3.607 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206185484 1131937402 /nfs/dbraw/zinc/93/74/02/1131937402.db2.gz NYYYWCJCCISNBK-UXHICEINSA-N 1 3 342.458 3.835 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206185484 1131937407 /nfs/dbraw/zinc/93/74/07/1131937407.db2.gz NYYYWCJCCISNBK-UXHICEINSA-N 1 3 342.458 3.835 20 0 EHADHO N[C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@@H]1F ZINC001206212820 1132126462 /nfs/dbraw/zinc/12/64/62/1132126462.db2.gz SDECJORSPDJGCE-IRXDYDNUSA-N 1 3 333.838 3.663 20 0 EHADHO N[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@@H]1F ZINC001206212820 1132126465 /nfs/dbraw/zinc/12/64/65/1132126465.db2.gz SDECJORSPDJGCE-IRXDYDNUSA-N 1 3 333.838 3.663 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122614 1132663777 /nfs/dbraw/zinc/66/37/77/1132663777.db2.gz BTZWNWBWGDQJRM-AYDFFVQHSA-N 1 3 339.405 3.766 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1C(F)(F)F)C1CC1)C2 ZINC001169122615 1132664577 /nfs/dbraw/zinc/66/45/77/1132664577.db2.gz BTZWNWBWGDQJRM-FQLMCAECSA-N 1 3 339.405 3.766 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3nc4ccccc4o3)CC1)C2 ZINC001169126338 1132664994 /nfs/dbraw/zinc/66/49/94/1132664994.db2.gz RWXUJGIBFXMASY-FVQHAEBGSA-N 1 3 325.456 3.632 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3nc4ccccc4o3)CC1)C2 ZINC001169126338 1132664997 /nfs/dbraw/zinc/66/49/97/1132664997.db2.gz RWXUJGIBFXMASY-FVQHAEBGSA-N 1 3 325.456 3.632 20 0 EHADHO CC[NH+]1CCC(N[C@@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001169230356 1132702731 /nfs/dbraw/zinc/70/27/31/1132702731.db2.gz YZJFDARPWTUDFH-OAHLLOKOSA-N 1 3 328.378 3.646 20 0 EHADHO CCN1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001169239264 1132706768 /nfs/dbraw/zinc/70/67/68/1132706768.db2.gz VQOHZHVSMPEJEU-UHFFFAOYSA-N 1 3 349.950 3.626 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC001177299584 1133048519 /nfs/dbraw/zinc/04/85/19/1133048519.db2.gz WQQCSEWQYRVPFN-DLBZAZTESA-N 1 3 346.515 3.763 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC001177299584 1133048525 /nfs/dbraw/zinc/04/85/25/1133048525.db2.gz WQQCSEWQYRVPFN-DLBZAZTESA-N 1 3 346.515 3.763 20 0 EHADHO C[C@]1(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697165 1133518900 /nfs/dbraw/zinc/51/89/00/1133518900.db2.gz GLWDHDKERKIBHB-RTWAWAEBSA-N 1 3 328.500 3.544 20 0 EHADHO C[C@]1(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697165 1133518904 /nfs/dbraw/zinc/51/89/04/1133518904.db2.gz GLWDHDKERKIBHB-RTWAWAEBSA-N 1 3 328.500 3.544 20 0 EHADHO Cc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c2c(n1)CCCC2 ZINC001183256352 1133786197 /nfs/dbraw/zinc/78/61/97/1133786197.db2.gz LFCNPFGCZNWRSI-UHFFFAOYSA-N 1 3 327.516 3.577 20 0 EHADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cc2cnccc2o1 ZINC001183482979 1133812721 /nfs/dbraw/zinc/81/27/21/1133812721.db2.gz PKNVBOLZVDAXGU-FVWXCPNNSA-N 1 3 343.471 3.512 20 0 EHADHO CN(CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)Cc1ccccc1 ZINC000788509407 1134135257 /nfs/dbraw/zinc/13/52/57/1134135257.db2.gz XNRWXABAGKYRBC-QGZVFWFLSA-N 1 3 329.875 3.834 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525431 1134143158 /nfs/dbraw/zinc/14/31/58/1134143158.db2.gz CZJATPVIERHWTK-IAGOWNOFSA-N 1 3 339.483 3.870 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525431 1134143161 /nfs/dbraw/zinc/14/31/61/1134143161.db2.gz CZJATPVIERHWTK-IAGOWNOFSA-N 1 3 339.483 3.870 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525430 1134143415 /nfs/dbraw/zinc/14/34/15/1134143415.db2.gz CZJATPVIERHWTK-DLBZAZTESA-N 1 3 339.483 3.870 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788525430 1134143417 /nfs/dbraw/zinc/14/34/17/1134143417.db2.gz CZJATPVIERHWTK-DLBZAZTESA-N 1 3 339.483 3.870 20 0 EHADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134907 1134410555 /nfs/dbraw/zinc/41/05/55/1134410555.db2.gz DUSQKDHKQYTTAA-HLRQEUIKSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)C1 ZINC001170134907 1134410561 /nfs/dbraw/zinc/41/05/61/1134410561.db2.gz DUSQKDHKQYTTAA-HLRQEUIKSA-N 1 3 346.559 3.636 20 0 EHADHO Cc1ccccc1SC[C@@H](C)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001192234890 1134989075 /nfs/dbraw/zinc/98/90/75/1134989075.db2.gz VZRVISXKBCRHOU-KRWDZBQOSA-N 1 3 341.524 3.940 20 0 EHADHO Clc1cccc2c1CC[C@@H]2N1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535643 1135437652 /nfs/dbraw/zinc/43/76/52/1135437652.db2.gz LIWUOURFWJKRAN-IBGZPJMESA-N 1 3 327.859 3.935 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766095 1135888699 /nfs/dbraw/zinc/88/86/99/1135888699.db2.gz URCWMHPUGJPNLJ-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766095 1135888702 /nfs/dbraw/zinc/88/87/02/1135888702.db2.gz URCWMHPUGJPNLJ-XJKSGUPXSA-N 1 3 325.294 3.530 20 0 EHADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559523 1136794885 /nfs/dbraw/zinc/79/48/85/1136794885.db2.gz PLRCESRQHNXABE-YLJYHZDGSA-N 1 3 333.520 3.811 20 0 EHADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559523 1136794888 /nfs/dbraw/zinc/79/48/88/1136794888.db2.gz PLRCESRQHNXABE-YLJYHZDGSA-N 1 3 333.520 3.811 20 0 EHADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559518 1136794963 /nfs/dbraw/zinc/79/49/63/1136794963.db2.gz PLRCESRQHNXABE-FXAWDEMLSA-N 1 3 333.520 3.811 20 0 EHADHO CCC[C@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559518 1136794966 /nfs/dbraw/zinc/79/49/66/1136794966.db2.gz PLRCESRQHNXABE-FXAWDEMLSA-N 1 3 333.520 3.811 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2F)c2ccccc21 ZINC000817901673 1136844776 /nfs/dbraw/zinc/84/47/76/1136844776.db2.gz DWBNKURUFJAZBO-IAGOWNOFSA-N 1 3 349.247 3.865 20 0 EHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Br)s1 ZINC000817947753 1136849882 /nfs/dbraw/zinc/84/98/82/1136849882.db2.gz QFTIDHHLBMHLEL-NSHDSACASA-N 1 3 339.302 3.863 20 0 EHADHO C[NH+](C)CC[C@H](N[C@H]1CCc2cccc(F)c2C1)c1ccccc1 ZINC001170949463 1136996519 /nfs/dbraw/zinc/99/65/19/1136996519.db2.gz NIBAYCAJQIVJHW-RXVVDRJESA-N 1 3 326.459 3.966 20 0 EHADHO CN1CC2(C1)CC[NH+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)CC2 ZINC001171089153 1137177865 /nfs/dbraw/zinc/17/78/65/1137177865.db2.gz YPXDTLBZCNMYRW-HNNXBMFYSA-N 1 3 339.310 3.878 20 0 EHADHO C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000866399286 1137351882 /nfs/dbraw/zinc/35/18/82/1137351882.db2.gz REPVSAJOPRZOSJ-MSOLQXFVSA-N 1 3 325.500 3.877 20 0 EHADHO C[C@@H]1C[C@@H](NCCC2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000866470640 1137357399 /nfs/dbraw/zinc/35/73/99/1137357399.db2.gz WOHCSLBAJSGANS-YLJYHZDGSA-N 1 3 338.499 3.781 20 0 EHADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1F ZINC000773029516 1137460539 /nfs/dbraw/zinc/46/05/39/1137460539.db2.gz JUEITHJHFYDLCF-WMZOPIPTSA-N 1 3 340.458 3.629 20 0 EHADHO COc1ccc2c(c1)CC[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171614505 1137500803 /nfs/dbraw/zinc/50/08/03/1137500803.db2.gz ZOKYUYSMJJBQRB-KRWDZBQOSA-N 1 3 330.516 3.794 20 0 EHADHO C[NH+]1C(C)(C)CC(NCCc2ccc(C(F)(F)F)cn2)CC1(C)C ZINC001171626333 1137501222 /nfs/dbraw/zinc/50/12/22/1137501222.db2.gz YWZTUBUAXBVCBF-UHFFFAOYSA-N 1 3 343.437 3.884 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CCN1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638172 1137504722 /nfs/dbraw/zinc/50/47/22/1137504722.db2.gz VGMNHCDRYLPBDD-GOSISDBHSA-N 1 3 343.559 3.844 20 0 EHADHO CC[N@H+](Cc1ccc2c(c1)OCO2)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641694 1137504817 /nfs/dbraw/zinc/50/48/17/1137504817.db2.gz TZFZUURQXDLHCU-UHFFFAOYSA-N 1 3 332.488 3.889 20 0 EHADHO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641694 1137504819 /nfs/dbraw/zinc/50/48/19/1137504819.db2.gz TZFZUURQXDLHCU-UHFFFAOYSA-N 1 3 332.488 3.889 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001172098158 1137532449 /nfs/dbraw/zinc/53/24/49/1137532449.db2.gz AVHYQFQIRFSFGD-MUJYYYPQSA-N 1 3 341.268 3.693 20 0 EHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172327414 1137546808 /nfs/dbraw/zinc/54/68/08/1137546808.db2.gz FBYCFPBIYKBQPD-SJORKVTESA-N 1 3 336.495 3.755 20 0 EHADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000125638636 1137639522 /nfs/dbraw/zinc/63/95/22/1137639522.db2.gz AFJIYERAYVFFON-ZWKOTPCHSA-N 1 3 343.515 3.586 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H]2CC2(Cl)Cl)CC1 ZINC000877038145 1137668371 /nfs/dbraw/zinc/66/83/71/1137668371.db2.gz IKKCQBMVDDNAFO-DZGCQCFKSA-N 1 3 327.299 3.995 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000877038148 1137668474 /nfs/dbraw/zinc/66/84/74/1137668474.db2.gz IKKCQBMVDDNAFO-ZFWWWQNUSA-N 1 3 327.299 3.995 20 0 EHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000877115308 1137670360 /nfs/dbraw/zinc/67/03/60/1137670360.db2.gz LZPYSAHUPLWKAA-YVHKJVDXSA-N 1 3 332.469 3.667 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000878865149 1137730449 /nfs/dbraw/zinc/73/04/49/1137730449.db2.gz SYZKPCXRUWPNJL-UHFFFAOYSA-N 1 3 329.875 3.806 20 0 EHADHO Fc1ccc([C@@H]([NH2+]CCCN2CCCCC2)C2CCOCC2)cc1 ZINC000883166771 1137846883 /nfs/dbraw/zinc/84/68/83/1137846883.db2.gz IKTRAXRVXUURNO-HXUWFJFHSA-N 1 3 334.479 3.759 20 0 EHADHO Fc1ccc([C@@H](NCCC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000883166771 1137846884 /nfs/dbraw/zinc/84/68/84/1137846884.db2.gz IKTRAXRVXUURNO-HXUWFJFHSA-N 1 3 334.479 3.759 20 0 EHADHO CN1CCCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239013 1137849971 /nfs/dbraw/zinc/84/99/71/1137849971.db2.gz TYVWPGXWNUFWCJ-OXJNMPFZSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@@H+]1CCCC[C@@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239013 1137849972 /nfs/dbraw/zinc/84/99/72/1137849972.db2.gz TYVWPGXWNUFWCJ-OXJNMPFZSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@H+]1CCCC[C@@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239013 1137849973 /nfs/dbraw/zinc/84/99/73/1137849973.db2.gz TYVWPGXWNUFWCJ-OXJNMPFZSA-N 1 3 334.479 3.615 20 0 EHADHO Cc1[nH]nc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000885913785 1138024084 /nfs/dbraw/zinc/02/40/84/1138024084.db2.gz JNMKTKWANAJZAB-UHFFFAOYSA-N 1 3 326.488 3.548 20 0 EHADHO CC(C)[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517456 1138088390 /nfs/dbraw/zinc/08/83/90/1138088390.db2.gz DTWSDADWMUDUAU-PZJWPPBQSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517456 1138088393 /nfs/dbraw/zinc/08/83/93/1138088393.db2.gz DTWSDADWMUDUAU-PZJWPPBQSA-N 1 3 340.515 3.619 20 0 EHADHO CCC1(O)CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886543401 1138093716 /nfs/dbraw/zinc/09/37/16/1138093716.db2.gz OBOFOXVSGWSOOG-WTLSSISGSA-N 1 3 342.527 3.713 20 0 EHADHO Cc1ncc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)s1 ZINC000886553290 1138095083 /nfs/dbraw/zinc/09/50/83/1138095083.db2.gz IXPKNWDXZIAKHA-FHWLQOOXSA-N 1 3 341.524 3.637 20 0 EHADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886607663 1138101301 /nfs/dbraw/zinc/10/13/01/1138101301.db2.gz WERIUCVNLDKDHD-SSTJLMRISA-N 1 3 328.500 3.587 20 0 EHADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886607664 1138101373 /nfs/dbraw/zinc/10/13/73/1138101373.db2.gz WERIUCVNLDKDHD-SXYSDOLCSA-N 1 3 328.500 3.587 20 0 EHADHO Cc1ccncc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886636206 1138104082 /nfs/dbraw/zinc/10/40/82/1138104082.db2.gz HTXFMMGFEJUDJU-BVSLBCMMSA-N 1 3 335.495 3.575 20 0 EHADHO CCC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000090936851 1138214115 /nfs/dbraw/zinc/21/41/15/1138214115.db2.gz OILBHDFSOHEGSJ-IBGZPJMESA-N 1 3 327.472 3.653 20 0 EHADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1nc2ccccc2n1C ZINC000091286685 1138218054 /nfs/dbraw/zinc/21/80/54/1138218054.db2.gz UVGLSRDUWZWAJY-KRWDZBQOSA-N 1 3 328.504 3.736 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000093942628 1138243201 /nfs/dbraw/zinc/24/32/01/1138243201.db2.gz MAHGGZCAWWJOBR-KRWDZBQOSA-N 1 3 341.499 3.544 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(Cl)c2Br)C1 ZINC001202749934 1138270953 /nfs/dbraw/zinc/27/09/53/1138270953.db2.gz MGWWUAVLABYQIW-GFCCVEGCSA-N 1 3 345.712 3.924 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2cccc(Cl)c2Br)C1 ZINC001202749934 1138270954 /nfs/dbraw/zinc/27/09/54/1138270954.db2.gz MGWWUAVLABYQIW-GFCCVEGCSA-N 1 3 345.712 3.924 20 0 EHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000132782338 1138602535 /nfs/dbraw/zinc/60/25/35/1138602535.db2.gz VMQYUZFIRBCWDX-INIZCTEOSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@]1(CN)CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337764633 1138662660 /nfs/dbraw/zinc/66/26/60/1138662660.db2.gz RMQLMQVYTRDPTP-MRXNPFEDSA-N 1 3 330.394 3.535 20 0 EHADHO C[C@]1(CN)CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337764633 1138662662 /nfs/dbraw/zinc/66/26/62/1138662662.db2.gz RMQLMQVYTRDPTP-MRXNPFEDSA-N 1 3 330.394 3.535 20 0 EHADHO c1csc(CCN[C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000183134127 1140015125 /nfs/dbraw/zinc/01/51/25/1140015125.db2.gz NTYREDRZIDVDGO-QRVBRYPASA-N 1 3 341.524 3.576 20 0 EHADHO c1csc(CCN[C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000183134127 1140015132 /nfs/dbraw/zinc/01/51/32/1140015132.db2.gz NTYREDRZIDVDGO-QRVBRYPASA-N 1 3 341.524 3.576 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928661 1141027363 /nfs/dbraw/zinc/02/73/63/1141027363.db2.gz YUPLIQGJKKFQLJ-ZWKOTPCHSA-N 1 3 326.488 3.643 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268933818 1141030130 /nfs/dbraw/zinc/03/01/30/1141030130.db2.gz RJTSPMWJJPGWNW-KAGYGMCKSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268933818 1141030135 /nfs/dbraw/zinc/03/01/35/1141030135.db2.gz RJTSPMWJJPGWNW-KAGYGMCKSA-N 1 3 338.495 3.671 20 0 EHADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2cccs2)cc1 ZINC000268973599 1141036985 /nfs/dbraw/zinc/03/69/85/1141036985.db2.gz IRVOQSBGDCPGCP-HNNXBMFYSA-N 1 3 330.497 3.522 20 0 EHADHO c1ccc2c(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccnc2c1 ZINC000904475691 1032070423 /nfs/dbraw/zinc/07/04/23/1032070423.db2.gz POZMSUFDGSMAOI-RBBKRZOGSA-N 1 3 345.446 3.580 20 0 EHADHO CCC(CC)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)OC ZINC000430140579 1014169305 /nfs/dbraw/zinc/16/93/05/1014169305.db2.gz OWBBYSRUURHFAY-VAMGGRTRSA-N 1 3 330.516 3.692 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424174 1014393855 /nfs/dbraw/zinc/39/38/55/1014393855.db2.gz YPQMQEFAGRXTTI-RDJZCZTQSA-N 1 3 330.451 3.536 20 0 EHADHO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093315314 1016339840 /nfs/dbraw/zinc/33/98/40/1016339840.db2.gz UFQIAGSVEMRRFF-INIZCTEOSA-N 1 3 328.456 3.526 20 0 EHADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000340335284 1016959783 /nfs/dbraw/zinc/95/97/83/1016959783.db2.gz ZEGGBGUWBHVDDX-LJQANCHMSA-N 1 3 331.504 3.506 20 0 EHADHO COc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c(OC)c1 ZINC000536696865 1032157532 /nfs/dbraw/zinc/15/75/32/1032157532.db2.gz PRVOSSUIWFNTHZ-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO CC[NH+]1CCC(CCN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449174556 1032266453 /nfs/dbraw/zinc/26/64/53/1032266453.db2.gz ZAOGQPLCNYVDNJ-HNNXBMFYSA-N 1 3 326.406 3.803 20 0 EHADHO COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000536830514 1032311239 /nfs/dbraw/zinc/31/12/39/1032311239.db2.gz DHVFIUUKTJKYPY-DNVCBOLYSA-N 1 3 334.504 3.624 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305339 1032425252 /nfs/dbraw/zinc/42/52/52/1032425252.db2.gz RZOXLJGGFALSIJ-MJGOQNOKSA-N 1 3 349.950 3.592 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccn1 ZINC000449396683 1032503288 /nfs/dbraw/zinc/50/32/88/1032503288.db2.gz MDJVXDVPDNAOSG-QHAWAJNXSA-N 1 3 349.522 3.859 20 0 EHADHO COC(=O)c1ccc([C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000089262731 1032520912 /nfs/dbraw/zinc/52/09/12/1032520912.db2.gz KANNCIZBPAUATJ-INIZCTEOSA-N 1 3 348.487 3.715 20 0 EHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000089512894 1032543765 /nfs/dbraw/zinc/54/37/65/1032543765.db2.gz KBEQUQYBGQPSSR-AWEZNQCLSA-N 1 3 343.515 3.830 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc(C)c1F ZINC000090937039 1032581441 /nfs/dbraw/zinc/58/14/41/1032581441.db2.gz YZNGZAXFJWHPEO-MRXNPFEDSA-N 1 3 345.462 3.629 20 0 EHADHO c1cc(CN[C@H]2COC3(CCC3)C2)cc(C[NH+]2CCCCCC2)c1 ZINC000657861460 1032591465 /nfs/dbraw/zinc/59/14/65/1032591465.db2.gz SYECCXXXXPPZOI-HXUWFJFHSA-N 1 3 328.500 3.864 20 0 EHADHO C[C@@H](CCc1ccccc1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537332157 1032638103 /nfs/dbraw/zinc/63/81/03/1032638103.db2.gz RXWOJLBFPCMOOT-SLFFLAALSA-N 1 3 332.532 3.734 20 0 EHADHO Clc1cccc(OCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415074690 1017504020 /nfs/dbraw/zinc/50/40/20/1017504020.db2.gz APKFAQDFDGCRPX-IEBWSBKVSA-N 1 3 330.859 3.802 20 0 EHADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CC1 ZINC000415099727 1017552262 /nfs/dbraw/zinc/55/22/62/1017552262.db2.gz HHHYETPGEIZELU-BBRMVZONSA-N 1 3 337.305 3.601 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415114573 1017567870 /nfs/dbraw/zinc/56/78/70/1017567870.db2.gz VRUUSPXGUACBPE-RBUKOAKNSA-N 1 3 336.907 3.621 20 0 EHADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2F)n1 ZINC000655804306 1017652510 /nfs/dbraw/zinc/65/25/10/1017652510.db2.gz TVMYJUNGIMQZHD-MELADBBJSA-N 1 3 333.476 3.940 20 0 EHADHO C[NH+](C)[C@H]1C[C@@H](CNCc2oc3ccccc3c2Br)C1 ZINC000655824594 1017700996 /nfs/dbraw/zinc/70/09/96/1017700996.db2.gz NDMZGQGFWGAQFS-TXEJJXNPSA-N 1 3 337.261 3.625 20 0 EHADHO C[NH+](C)CCCC(C)(C)NCc1csc(COc2ccccc2)n1 ZINC000449526443 1032723479 /nfs/dbraw/zinc/72/34/79/1032723479.db2.gz DSDQNUKKMANDIZ-UHFFFAOYSA-N 1 3 347.528 3.932 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924616379 1018054647 /nfs/dbraw/zinc/05/46/47/1018054647.db2.gz CCWXQTQFXXFUSO-NRFANRHFSA-N 1 3 325.500 3.555 20 0 EHADHO Clc1cccc2ccc(CN3CCCC4(CC[NH2+]CC4)C3)nc12 ZINC001204734687 1019314790 /nfs/dbraw/zinc/31/47/90/1019314790.db2.gz BMNXYWXZMNECPC-UHFFFAOYSA-N 1 3 329.875 3.854 20 0 EHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513223440 1019439009 /nfs/dbraw/zinc/43/90/09/1019439009.db2.gz MGJRQHCBQWMJBL-FVJLSDCUSA-N 1 3 330.516 3.956 20 0 EHADHO CC(C)n1nccc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000280222926 1020207149 /nfs/dbraw/zinc/20/71/49/1020207149.db2.gz JAYCCEJOZUJTHU-WGMWDUQUSA-N 1 3 340.515 3.710 20 0 EHADHO CCn1nc(C)c(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000093844540 1032914668 /nfs/dbraw/zinc/91/46/68/1032914668.db2.gz DKBJYGNRKBHGLQ-KRWDZBQOSA-N 1 3 346.563 3.996 20 0 EHADHO CCn1nc(C)c(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000093844540 1032914679 /nfs/dbraw/zinc/91/46/79/1032914679.db2.gz DKBJYGNRKBHGLQ-KRWDZBQOSA-N 1 3 346.563 3.996 20 0 EHADHO Cc1ccc([C@@H](C)[N@@H+](C)CCCN2CCN(C(C)C)CC2)c(C)c1 ZINC000501075115 1020695821 /nfs/dbraw/zinc/69/58/21/1020695821.db2.gz AJRXMWAXQVFUCP-HXUWFJFHSA-N 1 3 331.548 3.712 20 0 EHADHO Cc1ccc([C@@H](C)[N@H+](C)CCCN2CCN(C(C)C)CC2)c(C)c1 ZINC000501075115 1020695826 /nfs/dbraw/zinc/69/58/26/1020695826.db2.gz AJRXMWAXQVFUCP-HXUWFJFHSA-N 1 3 331.548 3.712 20 0 EHADHO Brc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341180141 1021049822 /nfs/dbraw/zinc/04/98/22/1021049822.db2.gz DWTJVLKFPUBSDV-ACJLOTCBSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000341180141 1021049828 /nfs/dbraw/zinc/04/98/28/1021049828.db2.gz DWTJVLKFPUBSDV-ACJLOTCBSA-N 1 3 349.316 3.900 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000518805888 1021574728 /nfs/dbraw/zinc/57/47/28/1021574728.db2.gz BEKUJKWJHFOWLY-MRXNPFEDSA-N 1 3 334.504 3.927 20 0 EHADHO Clc1ccc(Br)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003921 1021634113 /nfs/dbraw/zinc/63/41/13/1021634113.db2.gz GTXXFXIZGIYSIB-DZGCQCFKSA-N 1 3 343.696 3.580 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000894438031 1022284138 /nfs/dbraw/zinc/28/41/38/1022284138.db2.gz VFKZJKMQBDJGPK-UHFFFAOYSA-N 1 3 346.471 3.720 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)CN(C)C ZINC000425946844 1022375618 /nfs/dbraw/zinc/37/56/18/1022375618.db2.gz QFRFPSQXEPIXNR-RISCZKNCSA-N 1 3 343.334 3.773 20 0 EHADHO CCN(CC)Cc1cc(OC)ccc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167994091 1022399988 /nfs/dbraw/zinc/39/99/88/1022399988.db2.gz DCRQXEUESCDEKC-UHFFFAOYSA-N 1 3 344.434 3.708 20 0 EHADHO CC1(C)C[C@@H](C2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)CCO1 ZINC001167981984 1022788268 /nfs/dbraw/zinc/78/82/68/1022788268.db2.gz RQUGOTFWOMYIEK-QBUWPKIASA-N 1 3 332.532 3.719 20 0 EHADHO CN1CCC[C@H](C[N@H+](C)CCOc2c(Cl)cccc2Cl)C1 ZINC000607358464 1033105643 /nfs/dbraw/zinc/10/56/43/1033105643.db2.gz HVWGCCRANRBOKB-ZDUSSCGKSA-N 1 3 331.287 3.646 20 0 EHADHO CN1CCC[C@H](C[N@@H+](C)CCOc2c(Cl)cccc2Cl)C1 ZINC000607358464 1033105654 /nfs/dbraw/zinc/10/56/54/1033105654.db2.gz HVWGCCRANRBOKB-ZDUSSCGKSA-N 1 3 331.287 3.646 20 0 EHADHO CN(CCCOc1ccc2ccccc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358142 1033103268 /nfs/dbraw/zinc/10/32/68/1033103268.db2.gz FDLWGWVIEKRBTQ-SFHVURJKSA-N 1 3 326.484 3.882 20 0 EHADHO CN(CCCOc1ccc2ccccc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358142 1033103272 /nfs/dbraw/zinc/10/32/72/1033103272.db2.gz FDLWGWVIEKRBTQ-SFHVURJKSA-N 1 3 326.484 3.882 20 0 EHADHO C[NH+]1CCC(CNCc2cc(Cl)ccc2Br)CC1 ZINC000090251154 1023087104 /nfs/dbraw/zinc/08/71/04/1023087104.db2.gz XDWRMXJTEREOSY-UHFFFAOYSA-N 1 3 331.685 3.534 20 0 EHADHO CC(C)COc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000510840705 1023260871 /nfs/dbraw/zinc/26/08/71/1023260871.db2.gz DRZZOSDTJJNDAW-RTBURBONSA-N 1 3 348.531 3.700 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000283216605 1023413953 /nfs/dbraw/zinc/41/39/53/1023413953.db2.gz HONJVKKEPKGQCW-NRFANRHFSA-N 1 3 329.532 3.630 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000283216605 1023413956 /nfs/dbraw/zinc/41/39/56/1023413956.db2.gz HONJVKKEPKGQCW-NRFANRHFSA-N 1 3 329.532 3.630 20 0 EHADHO Cc1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)ccc1C[NH+](C)C ZINC000458274952 1023845621 /nfs/dbraw/zinc/84/56/21/1023845621.db2.gz XXWARCFHOLEFJH-FQEVSTJZSA-N 1 3 343.515 3.792 20 0 EHADHO C[C@@H]1CC(NCCc2cncs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018332 1023958088 /nfs/dbraw/zinc/95/80/88/1023958088.db2.gz CXNSDXXBXNIHOO-HZPDHXFCSA-N 1 3 329.513 3.717 20 0 EHADHO c1ccc2c(c1)CC[C@H]2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346599 1024345428 /nfs/dbraw/zinc/34/54/28/1024345428.db2.gz KMVXZFRTGYIHKT-NRFANRHFSA-N 1 3 335.495 3.613 20 0 EHADHO Cc1csc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000648417900 1024350291 /nfs/dbraw/zinc/35/02/91/1024350291.db2.gz VBWBFMTYHIJXFV-KRWDZBQOSA-N 1 3 343.540 3.679 20 0 EHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000514728053 1024704176 /nfs/dbraw/zinc/70/41/76/1024704176.db2.gz IKYVXUGJEBMCJF-CYBMUJFWSA-N 1 3 338.373 3.937 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2SC)[C@@H](C)C1 ZINC000346605844 1024944969 /nfs/dbraw/zinc/94/49/69/1024944969.db2.gz JAYCFYGEATUPJO-FUHWJXTLSA-N 1 3 336.545 3.635 20 0 EHADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428221355 1025055495 /nfs/dbraw/zinc/05/54/95/1025055495.db2.gz KHWGCGVRMJHHBV-MKJVIKKCSA-N 1 3 344.543 3.674 20 0 EHADHO Cc1nc(CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000346798871 1025122174 /nfs/dbraw/zinc/12/21/74/1025122174.db2.gz AWFQCUYRCLXKJA-UHFFFAOYSA-N 1 3 329.488 3.582 20 0 EHADHO Cc1nc(CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000346798871 1025122180 /nfs/dbraw/zinc/12/21/80/1025122180.db2.gz AWFQCUYRCLXKJA-UHFFFAOYSA-N 1 3 329.488 3.582 20 0 EHADHO CC(C)=CCC[C@@H](C)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000192623550 1025281377 /nfs/dbraw/zinc/28/13/77/1025281377.db2.gz VRSKUDALRMFIBQ-RTWAWAEBSA-N 1 3 335.580 3.861 20 0 EHADHO CC(C)=CCC[C@@H](C)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000192623550 1025281394 /nfs/dbraw/zinc/28/13/94/1025281394.db2.gz VRSKUDALRMFIBQ-RTWAWAEBSA-N 1 3 335.580 3.861 20 0 EHADHO Clc1cc2cccnc2c(CNCCC[NH2+]Cc2cccnc2)c1 ZINC000414878984 1025397034 /nfs/dbraw/zinc/39/70/34/1025397034.db2.gz OFPINGFUNINHRL-UHFFFAOYSA-N 1 3 340.858 3.553 20 0 EHADHO C[NH+](C)CCOc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436270982 1025538450 /nfs/dbraw/zinc/53/84/50/1025538450.db2.gz CBBCTGFKHCPQOJ-UHFFFAOYSA-N 1 3 341.430 3.537 20 0 EHADHO [NH3+]CC[C@@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000443075921 1025703227 /nfs/dbraw/zinc/70/32/27/1025703227.db2.gz RVWSRNLVHDBHQW-ZDUSSCGKSA-N 1 3 348.288 3.558 20 0 EHADHO C[C@H]1CC(N2CC[C@@H]3CCO[C@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044107 1025815404 /nfs/dbraw/zinc/81/54/04/1025815404.db2.gz FIDIUTVCIBJWEL-NEOGFGCTSA-N 1 3 328.500 3.539 20 0 EHADHO Cc1cccc2c1CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582414608 1026196056 /nfs/dbraw/zinc/19/60/56/1026196056.db2.gz NKKQKYHYXWXJCX-ONTIZHBOSA-N 1 3 334.463 3.828 20 0 EHADHO C[NH+]1CCC2(CCCN2Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000475132256 1026236071 /nfs/dbraw/zinc/23/60/71/1026236071.db2.gz XATLCJAPFTZMRK-UHFFFAOYSA-N 1 3 328.500 3.850 20 0 EHADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000475132256 1026236084 /nfs/dbraw/zinc/23/60/84/1026236084.db2.gz XATLCJAPFTZMRK-UHFFFAOYSA-N 1 3 328.500 3.850 20 0 EHADHO CN1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000475132256 1026236095 /nfs/dbraw/zinc/23/60/95/1026236095.db2.gz XATLCJAPFTZMRK-UHFFFAOYSA-N 1 3 328.500 3.850 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901493 1026386124 /nfs/dbraw/zinc/38/61/24/1026386124.db2.gz DHJUQSMWDGYVLK-GXTWGEPZSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000530901493 1026386137 /nfs/dbraw/zinc/38/61/37/1026386137.db2.gz DHJUQSMWDGYVLK-GXTWGEPZSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[N@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)C(C)(C)C1 ZINC001168066658 1026938123 /nfs/dbraw/zinc/93/81/23/1026938123.db2.gz QUKRRZPAJFNBFN-RTBURBONSA-N 1 3 343.559 3.844 20 0 EHADHO CCN1CC[N@@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)C(C)(C)C1 ZINC001168066658 1026938134 /nfs/dbraw/zinc/93/81/34/1026938134.db2.gz QUKRRZPAJFNBFN-RTBURBONSA-N 1 3 343.559 3.844 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCCOC(F)(F)F)CC1 ZINC001307527853 1027320074 /nfs/dbraw/zinc/32/00/74/1027320074.db2.gz AFMJCIRGENUNBA-HNNXBMFYSA-N 1 3 336.442 3.889 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCCOC(F)(F)F)CC1 ZINC001307527853 1027320095 /nfs/dbraw/zinc/32/00/95/1027320095.db2.gz AFMJCIRGENUNBA-HNNXBMFYSA-N 1 3 336.442 3.889 20 0 EHADHO Clc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420340006 1027473862 /nfs/dbraw/zinc/47/38/62/1027473862.db2.gz MIOJDACNTUWHCU-JKSUJKDBSA-N 1 3 345.874 3.817 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331920 1027482292 /nfs/dbraw/zinc/48/22/92/1027482292.db2.gz CHAMPUPGIJEFAN-GJZGRUSLSA-N 1 3 331.485 3.533 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595823 1027570779 /nfs/dbraw/zinc/57/07/79/1027570779.db2.gz KMYIRHUVFQZBQW-YWZLYKJASA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595823 1027570796 /nfs/dbraw/zinc/57/07/96/1027570796.db2.gz KMYIRHUVFQZBQW-YWZLYKJASA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000459329965 1027642206 /nfs/dbraw/zinc/64/22/06/1027642206.db2.gz RZNTZIZXCHVOEQ-UDKICSLYSA-N 1 3 342.527 3.611 20 0 EHADHO CC(C)OC1CC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000582790770 1027717663 /nfs/dbraw/zinc/71/76/63/1027717663.db2.gz FCRGEHHJJJOAOF-MWXLCCTBSA-N 1 3 330.516 3.834 20 0 EHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665802 1027773318 /nfs/dbraw/zinc/77/33/18/1027773318.db2.gz VYZDOIKJWXDPCD-CRAIPNDOSA-N 1 3 328.431 3.574 20 0 EHADHO [NH3+][C@@H]1C[C@H](NC[C@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC000422731416 1027877896 /nfs/dbraw/zinc/87/78/96/1027877896.db2.gz LPKMDUSXOLEOEU-FGTMMUONSA-N 1 3 327.497 3.619 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422755375 1027924633 /nfs/dbraw/zinc/92/46/33/1027924633.db2.gz BJYHWRGHICYWIF-CYBMUJFWSA-N 1 3 329.875 3.885 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422784394 1027937712 /nfs/dbraw/zinc/93/77/12/1027937712.db2.gz LYMOTCRCUBKRKG-XJKSGUPXSA-N 1 3 326.406 3.844 20 0 EHADHO Cc1cc(C)c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422786891 1027938665 /nfs/dbraw/zinc/93/86/65/1027938665.db2.gz TVJCDJCIMQYHTG-IRLDBZIGSA-N 1 3 336.479 3.957 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000422807106 1027958217 /nfs/dbraw/zinc/95/82/17/1027958217.db2.gz OGOXPTWKWSJYEU-NWDGAFQWSA-N 1 3 335.398 3.862 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422862046 1027998610 /nfs/dbraw/zinc/99/86/10/1027998610.db2.gz NHFDURAHNAEREB-FCGDIQPGSA-N 1 3 335.561 3.641 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845327 1028006615 /nfs/dbraw/zinc/00/66/15/1028006615.db2.gz NUXFHAKKFBRBBR-CEXWTWQISA-N 1 3 335.923 3.727 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845327 1028006632 /nfs/dbraw/zinc/00/66/32/1028006632.db2.gz NUXFHAKKFBRBBR-CEXWTWQISA-N 1 3 335.923 3.727 20 0 EHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845329 1028006745 /nfs/dbraw/zinc/00/67/45/1028006745.db2.gz NUXFHAKKFBRBBR-QRVBRYPASA-N 1 3 335.923 3.727 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845329 1028006762 /nfs/dbraw/zinc/00/67/62/1028006762.db2.gz NUXFHAKKFBRBBR-QRVBRYPASA-N 1 3 335.923 3.727 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422868468 1028027978 /nfs/dbraw/zinc/02/79/78/1028027978.db2.gz VBYVPNLMCYSATO-PGRDOPGGSA-N 1 3 338.495 3.881 20 0 EHADHO N[C@@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422951334 1028087614 /nfs/dbraw/zinc/08/76/14/1028087614.db2.gz YDOGQOBYPRPFQL-MOPGFXCFSA-N 1 3 337.398 3.758 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000502288104 1028088095 /nfs/dbraw/zinc/08/80/95/1028088095.db2.gz PFJCIVHSJUZVSD-MSOLQXFVSA-N 1 3 348.531 3.653 20 0 EHADHO FC(F)(F)c1ccccc1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422955378 1028094845 /nfs/dbraw/zinc/09/48/45/1028094845.db2.gz JDGDSRXWSRUFSP-BMFZPTHFSA-N 1 3 342.405 3.595 20 0 EHADHO Cc1ccn(-c2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422987886 1028097694 /nfs/dbraw/zinc/09/76/94/1028097694.db2.gz HQOIOIHWXMSFDH-HSALFYBXSA-N 1 3 338.499 3.581 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000422990536 1028100142 /nfs/dbraw/zinc/10/01/42/1028100142.db2.gz NPBGRAKZFHFLFA-DQLDELGASA-N 1 3 339.483 3.637 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])s2)cc1 ZINC000422984466 1028110443 /nfs/dbraw/zinc/11/04/43/1028110443.db2.gz XVZIMKBRPDIWBF-UPJWGTAASA-N 1 3 333.501 3.904 20 0 EHADHO Clc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423003327 1028116185 /nfs/dbraw/zinc/11/61/85/1028116185.db2.gz LSHAZPUMMDRWBN-GUDVDZBRSA-N 1 3 336.907 3.757 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)c2ccccc21 ZINC000423012568 1028124276 /nfs/dbraw/zinc/12/42/76/1028124276.db2.gz KZMAJMYQIOBLSP-KYNGSXCRSA-N 1 3 325.431 3.529 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(c2ccc(F)cc2F)CC1 ZINC000423012987 1028124931 /nfs/dbraw/zinc/12/49/31/1028124931.db2.gz LTBNRAMYIVSORT-IFXJQAMLSA-N 1 3 330.422 3.545 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)c2ccccc21 ZINC000423012570 1028125623 /nfs/dbraw/zinc/12/56/23/1028125623.db2.gz KZMAJMYQIOBLSP-ZMYBRWDISA-N 1 3 325.431 3.529 20 0 EHADHO Cc1ccc(SC[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423045938 1028150855 /nfs/dbraw/zinc/15/08/55/1028150855.db2.gz CXSKXAGKEYROPC-LSDHHAIUSA-N 1 3 329.513 3.989 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423096754 1028180604 /nfs/dbraw/zinc/18/06/04/1028180604.db2.gz PSXJMVDDPVUGKV-BRXULGCHSA-N 1 3 341.268 3.551 20 0 EHADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Br)cc1Cl ZINC000423133960 1028219854 /nfs/dbraw/zinc/21/98/54/1028219854.db2.gz LPVCMXQWCHONQE-UONOGXRCSA-N 1 3 345.712 3.850 20 0 EHADHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000161745248 1028281934 /nfs/dbraw/zinc/28/19/34/1028281934.db2.gz ZQQIWFJPWSGJHU-KRWDZBQOSA-N 1 3 341.902 3.546 20 0 EHADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C(=O)OC)cc1 ZINC000423289133 1028329275 /nfs/dbraw/zinc/32/92/75/1028329275.db2.gz AJPSUKWULNRZJR-LIRRHRJNSA-N 1 3 326.440 3.734 20 0 EHADHO O[C@H](C[C@@H]1CCCN1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979451 1028402575 /nfs/dbraw/zinc/40/25/75/1028402575.db2.gz MBZQWFAKEAPMGT-VQTJNVASSA-N 1 3 334.479 3.590 20 0 EHADHO O[C@@H](C[C@@H]1CCCN1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979539 1028402972 /nfs/dbraw/zinc/40/29/72/1028402972.db2.gz MBZQWFAKEAPMGT-PMACEKPBSA-N 1 3 334.479 3.590 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000423417513 1028429785 /nfs/dbraw/zinc/42/97/85/1028429785.db2.gz FTMPTZVZHQIZLJ-FTRWYGJKSA-N 1 3 327.447 3.665 20 0 EHADHO C[C@H](CCCc1cccnc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423531800 1028485379 /nfs/dbraw/zinc/48/53/79/1028485379.db2.gz UHFCCEGJTUADMW-GTZDDSLKSA-N 1 3 327.516 3.536 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000246439793 1028506893 /nfs/dbraw/zinc/50/68/93/1028506893.db2.gz OMPKOJLLZSOGOR-BHIFYINESA-N 1 3 342.527 3.730 20 0 EHADHO Cc1cc([C@@H](NCCC2=CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000423542022 1028507069 /nfs/dbraw/zinc/50/70/69/1028507069.db2.gz SPZLJMSBNWVBRC-HXUWFJFHSA-N 1 3 325.431 3.518 20 0 EHADHO C[C@@H]1C[C@H](CN(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC[NH2+]1 ZINC000414753645 1028546040 /nfs/dbraw/zinc/54/60/40/1028546040.db2.gz MROJBXVHKCQMGV-CLCXKQKWSA-N 1 3 344.890 3.539 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000246967923 1028720771 /nfs/dbraw/zinc/72/07/71/1028720771.db2.gz JENVDAAQCMJVOL-QLFBSQMISA-N 1 3 326.431 3.505 20 0 EHADHO FC(F)Oc1ccc2ccccc2c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771129 1028754795 /nfs/dbraw/zinc/75/47/95/1028754795.db2.gz QDAUIXZTSJKCHZ-IYBDPMFKSA-N 1 3 346.421 3.873 20 0 EHADHO O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000245689388 1029010527 /nfs/dbraw/zinc/01/05/27/1029010527.db2.gz KBWJOKMVOUEWCU-YSTOQKLRSA-N 1 3 342.508 3.567 20 0 EHADHO c1nc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790339 1029084944 /nfs/dbraw/zinc/08/49/44/1029084944.db2.gz ZQAWSFFIPFGRDR-DLBZAZTESA-N 1 3 327.497 3.632 20 0 EHADHO Cc1noc(C)c1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245788642 1029298896 /nfs/dbraw/zinc/29/88/96/1029298896.db2.gz ZWQMIHPEUNCSEF-ACDBMABISA-N 1 3 339.483 3.619 20 0 EHADHO Cc1noc(C)c1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245788642 1029298913 /nfs/dbraw/zinc/29/89/13/1029298913.db2.gz ZWQMIHPEUNCSEF-ACDBMABISA-N 1 3 339.483 3.619 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2c(C3CC3)nc3sccn23)cc1 ZINC000414812267 1029318798 /nfs/dbraw/zinc/31/87/98/1029318798.db2.gz QXSAWBFUKHWYSF-LBPRGKRZSA-N 1 3 326.469 3.583 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)on1 ZINC000453219599 1029928435 /nfs/dbraw/zinc/92/84/35/1029928435.db2.gz WHDNWJAFXDNZTI-NJDAHSKKSA-N 1 3 339.483 3.558 20 0 EHADHO Cc1cc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)on1 ZINC000453219599 1029928453 /nfs/dbraw/zinc/92/84/53/1029928453.db2.gz WHDNWJAFXDNZTI-NJDAHSKKSA-N 1 3 339.483 3.558 20 0 EHADHO C[C@@H](c1ccccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000583500623 1029962935 /nfs/dbraw/zinc/96/29/35/1029962935.db2.gz QYWRGBGWYIICMH-DZGCQCFKSA-N 1 3 337.305 3.832 20 0 EHADHO CN1CCC[C@H]1CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000120368203 1029972908 /nfs/dbraw/zinc/97/29/08/1029972908.db2.gz KDDNPIODPQZJCB-SFHVURJKSA-N 1 3 327.472 3.690 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000120368203 1029972913 /nfs/dbraw/zinc/97/29/13/1029972913.db2.gz KDDNPIODPQZJCB-SFHVURJKSA-N 1 3 327.472 3.690 20 0 EHADHO c1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc2c1OCC2 ZINC000600625069 1030074943 /nfs/dbraw/zinc/07/49/43/1030074943.db2.gz JGYHWVHCHDDASZ-UHFFFAOYSA-N 1 3 328.500 3.710 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000481923659 1030124234 /nfs/dbraw/zinc/12/42/34/1030124234.db2.gz RCNJQAFRZYINBX-LSDHHAIUSA-N 1 3 328.422 3.958 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928149 1030126672 /nfs/dbraw/zinc/12/66/72/1030126672.db2.gz QXJXDYPRQNTUQI-LSDHHAIUSA-N 1 3 328.422 3.958 20 0 EHADHO CC[C@@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C)cc1 ZINC000090525112 1030137205 /nfs/dbraw/zinc/13/72/05/1030137205.db2.gz PRYLYEYBOLQWRK-HKBOAZHASA-N 1 3 330.516 3.804 20 0 EHADHO Cc1ncccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771583 1030148947 /nfs/dbraw/zinc/14/89/47/1030148947.db2.gz DFQPAMBOLIBHAT-OAQYLSRUSA-N 1 3 335.495 3.782 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453374796 1030194017 /nfs/dbraw/zinc/19/40/17/1030194017.db2.gz UDZVPUMTMITQKK-RTBURBONSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453374796 1030194023 /nfs/dbraw/zinc/19/40/23/1030194023.db2.gz UDZVPUMTMITQKK-RTBURBONSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@@H]1CC[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000090937228 1030197700 /nfs/dbraw/zinc/19/77/00/1030197700.db2.gz YCTLYRKKSVCOCP-OXQOHEQNSA-N 1 3 339.483 3.750 20 0 EHADHO COCCC[NH+]1CCC(N[C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447538854 1030273578 /nfs/dbraw/zinc/27/35/78/1030273578.db2.gz DPRQFVXDQYBKSX-SFTDATJTSA-N 1 3 330.516 3.962 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000453434526 1030291906 /nfs/dbraw/zinc/29/19/06/1030291906.db2.gz UHJMIOSBUUCLFO-AKIFATBCSA-N 1 3 349.522 3.823 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000453434525 1030291939 /nfs/dbraw/zinc/29/19/39/1030291939.db2.gz UHJMIOSBUUCLFO-ACIOBRDBSA-N 1 3 349.522 3.823 20 0 EHADHO Cc1ccc2c(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)oc2c1 ZINC000728572148 1030327069 /nfs/dbraw/zinc/32/70/69/1030327069.db2.gz SPSLFWADRXTAAP-UHFFFAOYSA-N 1 3 342.483 3.654 20 0 EHADHO Cc1ccc2c(CN3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)oc2c1 ZINC000728572148 1030327088 /nfs/dbraw/zinc/32/70/88/1030327088.db2.gz SPSLFWADRXTAAP-UHFFFAOYSA-N 1 3 342.483 3.654 20 0 EHADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226272 1030492420 /nfs/dbraw/zinc/49/24/20/1030492420.db2.gz SFHIIMRPVIWQFZ-ZIAGYGMSSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226272 1030492426 /nfs/dbraw/zinc/49/24/26/1030492426.db2.gz SFHIIMRPVIWQFZ-ZIAGYGMSSA-N 1 3 330.394 3.620 20 0 EHADHO CCC1CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550881706 1030756842 /nfs/dbraw/zinc/75/68/42/1030756842.db2.gz CABKRJDLHPSJBI-CKHPTIKVSA-N 1 3 342.527 3.693 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CCCC2 ZINC000872037378 1030920730 /nfs/dbraw/zinc/92/07/30/1030920730.db2.gz BDUZXIWLAWJRTP-QGPMSJSTSA-N 1 3 332.488 3.544 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CCCC2 ZINC000872037378 1030920749 /nfs/dbraw/zinc/92/07/49/1030920749.db2.gz BDUZXIWLAWJRTP-QGPMSJSTSA-N 1 3 332.488 3.544 20 0 EHADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000131225095 1030987705 /nfs/dbraw/zinc/98/77/05/1030987705.db2.gz ZVNMSKNJFIMNMZ-QGZVFWFLSA-N 1 3 343.515 3.584 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC ZINC000178040241 1031611268 /nfs/dbraw/zinc/61/12/68/1031611268.db2.gz CREUDSBTHGVDHZ-LMMKCTJWSA-N 1 3 334.504 3.625 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1OC ZINC000584140375 1031792412 /nfs/dbraw/zinc/79/24/12/1031792412.db2.gz FYGZIYQESGXLAL-ZACQAIPSSA-N 1 3 334.504 3.516 20 0 EHADHO Cc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC001143458043 1033383046 /nfs/dbraw/zinc/38/30/46/1033383046.db2.gz MNQKOCXLUZMHPK-UHFFFAOYSA-N 1 3 326.406 3.932 20 0 EHADHO C[C@H](CSCCF)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000595037525 1033657477 /nfs/dbraw/zinc/65/74/77/1033657477.db2.gz GYIGWVJNEVHMMI-IEBWSBKVSA-N 1 3 338.536 3.970 20 0 EHADHO FCC1(CF)CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000657970489 1033769937 /nfs/dbraw/zinc/76/99/37/1033769937.db2.gz DFSCFMBHYFJGNX-YSIASYRMSA-N 1 3 348.481 3.965 20 0 EHADHO c1ccc(C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658168834 1034035642 /nfs/dbraw/zinc/03/56/42/1034035642.db2.gz ZMJLHBHMWCKAJT-QHCPKHFHSA-N 1 3 349.522 3.905 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414108191 1035529146 /nfs/dbraw/zinc/52/91/46/1035529146.db2.gz ZWLBSTGAKLGZMG-BZSNNMDCSA-N 1 3 334.504 3.544 20 0 EHADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCCOc1cccc(C(F)(F)F)c1 ZINC000571696893 1035595750 /nfs/dbraw/zinc/59/57/50/1035595750.db2.gz YQDHBNXIVCBBGX-HIFRSBDPSA-N 1 3 330.394 3.676 20 0 EHADHO Cc1ccc(C)c([C@@H](NCCOCC[NH+](C)C)c2ccccc2)c1 ZINC000392529605 1035712366 /nfs/dbraw/zinc/71/23/66/1035712366.db2.gz BWXHVPKCNXSMHJ-NRFANRHFSA-N 1 3 326.484 3.561 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000666172183 1035813425 /nfs/dbraw/zinc/81/34/25/1035813425.db2.gz RXUMIIYIHIOJCU-RYUDHWBXSA-N 1 3 331.323 3.893 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172183 1035813441 /nfs/dbraw/zinc/81/34/41/1035813441.db2.gz RXUMIIYIHIOJCU-RYUDHWBXSA-N 1 3 331.323 3.893 20 0 EHADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000464060640 1036076009 /nfs/dbraw/zinc/07/60/09/1036076009.db2.gz DMCDGYHKFILDSW-SVFBPWRDSA-N 1 3 334.548 3.826 20 0 EHADHO Cc1ccc(-c2ncc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000572363795 1036086889 /nfs/dbraw/zinc/08/68/89/1036086889.db2.gz GYLHOVFEQKFOMX-GOSISDBHSA-N 1 3 341.524 3.940 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCNCc2cnc(CC(F)(F)F)s2)C1 ZINC000892585216 1036332190 /nfs/dbraw/zinc/33/21/90/1036332190.db2.gz RJBFHTGXBVNODE-ZDUSSCGKSA-N 1 3 349.466 3.850 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc(CC(F)(F)F)s2)C1 ZINC000892585216 1036332207 /nfs/dbraw/zinc/33/22/07/1036332207.db2.gz RJBFHTGXBVNODE-ZDUSSCGKSA-N 1 3 349.466 3.850 20 0 EHADHO CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000398017860 1036486566 /nfs/dbraw/zinc/48/65/66/1036486566.db2.gz IIMLWVUPDSMPQV-STZQEDGTSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000398017860 1036486585 /nfs/dbraw/zinc/48/65/85/1036486585.db2.gz IIMLWVUPDSMPQV-STZQEDGTSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CC1(F)F ZINC000666229570 1036521753 /nfs/dbraw/zinc/52/17/53/1036521753.db2.gz RLULLAXBQKLBHS-IKLKHMQRSA-N 1 3 334.454 3.920 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000310269933 1036798173 /nfs/dbraw/zinc/79/81/73/1036798173.db2.gz NCOIEAFSYOUODN-HBMCJLEFSA-N 1 3 330.516 3.693 20 0 EHADHO c1ccc(C[N@H+]2CC[C@@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000310916105 1036981913 /nfs/dbraw/zinc/98/19/13/1036981913.db2.gz QIJACAKARYSEDM-FQEVSTJZSA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000310916105 1036981929 /nfs/dbraw/zinc/98/19/29/1036981929.db2.gz QIJACAKARYSEDM-FQEVSTJZSA-N 1 3 331.463 3.847 20 0 EHADHO Brc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542906 1037068062 /nfs/dbraw/zinc/06/80/62/1037068062.db2.gz DQIAXQJZTWAIAF-OLZOCXBDSA-N 1 3 343.334 3.722 20 0 EHADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000542153841 1037118889 /nfs/dbraw/zinc/11/88/89/1037118889.db2.gz BCVVNVMIXINCJY-YESZJQIVSA-N 1 3 336.545 3.500 20 0 EHADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000532521097 1037560634 /nfs/dbraw/zinc/56/06/34/1037560634.db2.gz ZZBAOOWGVOBQKH-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000532521097 1037560644 /nfs/dbraw/zinc/56/06/44/1037560644.db2.gz ZZBAOOWGVOBQKH-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C[C@@H](C)O1 ZINC000540168589 1037637198 /nfs/dbraw/zinc/63/71/98/1037637198.db2.gz COSDIYXIGVFYAS-KRXUUXHPSA-N 1 3 344.543 3.877 20 0 EHADHO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1(C)C ZINC000463024873 1037657112 /nfs/dbraw/zinc/65/71/12/1037657112.db2.gz QWPAXLHWJKNWNH-PCCBWWKXSA-N 1 3 344.543 3.733 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494165327 1037896169 /nfs/dbraw/zinc/89/61/69/1037896169.db2.gz ULBBJBCCKFZHEB-ZDUSSCGKSA-N 1 3 345.712 3.924 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173327248 1038035279 /nfs/dbraw/zinc/03/52/79/1038035279.db2.gz NNAFLKPTNTXZEA-IBGZPJMESA-N 1 3 337.511 3.675 20 0 EHADHO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000689869376 1038596223 /nfs/dbraw/zinc/59/62/23/1038596223.db2.gz MJJSCFOLXWXTCD-HLAWJBBLSA-N 1 3 330.516 3.693 20 0 EHADHO CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000539215778 1038735217 /nfs/dbraw/zinc/73/52/17/1038735217.db2.gz RTZAIZXEDNBTEM-SJORKVTESA-N 1 3 341.499 3.996 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C[C@@H](C)O1 ZINC000539218929 1038736493 /nfs/dbraw/zinc/73/64/93/1038736493.db2.gz WFILPXXLXFIZNH-QINHECLXSA-N 1 3 334.479 3.756 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000479851478 1038787566 /nfs/dbraw/zinc/78/75/66/1038787566.db2.gz LECDYPRPCJDALJ-CTNGQTDRSA-N 1 3 343.559 3.751 20 0 EHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccnc2ccccc21 ZINC000195270001 1038855895 /nfs/dbraw/zinc/85/58/95/1038855895.db2.gz CUCFNVNHQIQWCD-LJQANCHMSA-N 1 3 347.462 3.804 20 0 EHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1ccnc2ccccc21 ZINC000195270001 1038855919 /nfs/dbraw/zinc/85/59/19/1038855919.db2.gz CUCFNVNHQIQWCD-LJQANCHMSA-N 1 3 347.462 3.804 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC4CCOCC4)[C@H]3C2)cc1 ZINC000552047778 1038912786 /nfs/dbraw/zinc/91/27/86/1038912786.db2.gz XVYXQDWDIBIFBW-FKBYEOEOSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)c(C)c1 ZINC000477937678 1039041896 /nfs/dbraw/zinc/04/18/96/1039041896.db2.gz MMSUOXHXAOEJPX-SFHVURJKSA-N 1 3 345.531 3.732 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(C)c1 ZINC000477937678 1039041915 /nfs/dbraw/zinc/04/19/15/1039041915.db2.gz MMSUOXHXAOEJPX-SFHVURJKSA-N 1 3 345.531 3.732 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)c1C ZINC000477916369 1039044711 /nfs/dbraw/zinc/04/47/11/1039044711.db2.gz DMZBVHNJRARSLS-QGZVFWFLSA-N 1 3 345.531 3.732 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1C ZINC000477916369 1039044733 /nfs/dbraw/zinc/04/47/33/1039044733.db2.gz DMZBVHNJRARSLS-QGZVFWFLSA-N 1 3 345.531 3.732 20 0 EHADHO CC(C)(C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000477944316 1039063837 /nfs/dbraw/zinc/06/38/37/1039063837.db2.gz MHQCSFNTBJOONY-UHFFFAOYSA-N 1 3 338.536 3.599 20 0 EHADHO Cc1cnc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898519780 1039191741 /nfs/dbraw/zinc/19/17/41/1039191741.db2.gz RGUDFROGFMFQNQ-CEXWTWQISA-N 1 3 341.524 3.842 20 0 EHADHO Cc1cnc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898519780 1039191755 /nfs/dbraw/zinc/19/17/55/1039191755.db2.gz RGUDFROGFMFQNQ-CEXWTWQISA-N 1 3 341.524 3.842 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318057 1039200421 /nfs/dbraw/zinc/20/04/21/1039200421.db2.gz OPGPELZTCGJYNH-MDASCCDHSA-N 1 3 336.907 3.738 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552318057 1039200440 /nfs/dbraw/zinc/20/04/40/1039200440.db2.gz OPGPELZTCGJYNH-MDASCCDHSA-N 1 3 336.907 3.738 20 0 EHADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000552336379 1039208216 /nfs/dbraw/zinc/20/82/16/1039208216.db2.gz BDIHIQJXKCETPB-NRSPTQNISA-N 1 3 329.532 3.504 20 0 EHADHO CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565607 1039703069 /nfs/dbraw/zinc/70/30/69/1039703069.db2.gz WDXWCYOIWVSPNE-HBMCJLEFSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565607 1039703090 /nfs/dbraw/zinc/70/30/90/1039703090.db2.gz WDXWCYOIWVSPNE-HBMCJLEFSA-N 1 3 342.527 3.931 20 0 EHADHO CN1CC[C@@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H]1c1ccc(Cl)cc1 ZINC000554949255 1039974934 /nfs/dbraw/zinc/97/49/34/1039974934.db2.gz FZLUDEZTNSKXLE-QRVBRYPASA-N 1 3 335.923 3.549 20 0 EHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Br)c(F)c1 ZINC000489600885 1040100694 /nfs/dbraw/zinc/10/06/94/1040100694.db2.gz BWHHPJZFRSVMBR-NSHDSACASA-N 1 3 331.273 3.827 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162862349 1040509576 /nfs/dbraw/zinc/50/95/76/1040509576.db2.gz HMRDLFNNRVMRDV-HCXYKTFWSA-N 1 3 348.531 3.666 20 0 EHADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667867034 1040714854 /nfs/dbraw/zinc/71/48/54/1040714854.db2.gz QGMSQLXRLQMIBT-LEWJYISDSA-N 1 3 328.500 3.720 20 0 EHADHO CN(CCc1nccs1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401284 1040824318 /nfs/dbraw/zinc/82/43/18/1040824318.db2.gz MKSYLTMIDXCISR-UHFFFAOYSA-N 1 3 329.513 3.804 20 0 EHADHO CN1CC[C@H]([NH2+]CCCN2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000571329605 1041269236 /nfs/dbraw/zinc/26/92/36/1041269236.db2.gz CDGHMIHNMQZNRP-OALUTQOASA-N 1 3 335.923 3.551 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC(=O)OC(C)(C)C)CC1 ZINC000512964590 1041307995 /nfs/dbraw/zinc/30/79/95/1041307995.db2.gz SCPWRQOYSHMEKU-AEFFLSMTSA-N 1 3 338.536 3.741 20 0 EHADHO Cc1ccc(C(=O)C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000662253152 1042636045 /nfs/dbraw/zinc/63/60/45/1042636045.db2.gz RQQWITFVELGOKN-UHFFFAOYSA-N 1 3 348.490 3.736 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291992 1042665036 /nfs/dbraw/zinc/66/50/36/1042665036.db2.gz BOZFSMFGOFCXDZ-INIZCTEOSA-N 1 3 345.512 3.923 20 0 EHADHO C[C@@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)[C@@H]1CCC[NH3+] ZINC000662317911 1042683144 /nfs/dbraw/zinc/68/31/44/1042683144.db2.gz VLXAUALRVUIFQJ-RHSMWYFYSA-N 1 3 331.435 3.820 20 0 EHADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786130 1042975443 /nfs/dbraw/zinc/97/54/43/1042975443.db2.gz VWROXGHDTKGTDO-NOZJJQNGSA-N 1 3 335.225 3.815 20 0 EHADHO Cc1cccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000512180708 1043688306 /nfs/dbraw/zinc/68/83/06/1043688306.db2.gz AZGZUWKMJAQETM-ROUUACIJSA-N 1 3 330.516 3.625 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000062253019 1043827146 /nfs/dbraw/zinc/82/71/46/1043827146.db2.gz XDFGTIPACUNOJN-KBPBESRZSA-N 1 3 345.314 3.972 20 0 EHADHO C[C@H](c1cccc(Br)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198204 1044170429 /nfs/dbraw/zinc/17/04/29/1044170429.db2.gz HFTVCZDZOJGLMH-DYVFJYSZSA-N 1 3 337.305 3.974 20 0 EHADHO FC(F)c1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000279714217 1044457232 /nfs/dbraw/zinc/45/72/32/1044457232.db2.gz LMRCTVFGFAGOAT-UHFFFAOYSA-N 1 3 338.442 3.701 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071543 1126839327 /nfs/dbraw/zinc/83/93/27/1126839327.db2.gz ROTZLIYILROQMH-SFHLNBCPSA-N 1 3 330.516 3.864 20 0 EHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071543 1126839331 /nfs/dbraw/zinc/83/93/31/1126839331.db2.gz ROTZLIYILROQMH-SFHLNBCPSA-N 1 3 330.516 3.864 20 0 EHADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071543 1126839335 /nfs/dbraw/zinc/83/93/35/1126839335.db2.gz ROTZLIYILROQMH-SFHLNBCPSA-N 1 3 330.516 3.864 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1(C)C ZINC000623363417 1126932730 /nfs/dbraw/zinc/93/27/30/1126932730.db2.gz SYIZEYOOMCYUOH-GOSISDBHSA-N 1 3 339.483 3.623 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000624119899 1127255293 /nfs/dbraw/zinc/25/52/93/1127255293.db2.gz MANRNNJVCBLDSS-KBPBESRZSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c2ccccc21 ZINC000765066371 1127571395 /nfs/dbraw/zinc/57/13/95/1127571395.db2.gz FSUJNCGVODLRPT-HUUCEWRRSA-N 1 3 332.875 3.601 20 0 EHADHO C[C@H](CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000166236537 1127666631 /nfs/dbraw/zinc/66/66/31/1127666631.db2.gz PIEYIKLFIUKAQP-DYXWJJEUSA-N 1 3 330.516 3.866 20 0 EHADHO C[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CN1CCCCC1 ZINC000166236537 1127666635 /nfs/dbraw/zinc/66/66/35/1127666635.db2.gz PIEYIKLFIUKAQP-DYXWJJEUSA-N 1 3 330.516 3.866 20 0 EHADHO CC[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000155278782 1127963516 /nfs/dbraw/zinc/96/35/16/1127963516.db2.gz DJFCMKMBLHCVGV-PWSUYJOCSA-N 1 3 335.439 3.933 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)s1 ZINC000623656878 1128451865 /nfs/dbraw/zinc/45/18/65/1128451865.db2.gz DOEXVYZRMLGNRT-NWDGAFQWSA-N 1 3 331.323 3.893 20 0 EHADHO CCC[NH+]1CCC(N[C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)CC1 ZINC000338691625 1128593509 /nfs/dbraw/zinc/59/35/09/1128593509.db2.gz WSWBTKRUYUHXKB-WOJBJXKFSA-N 1 3 344.499 3.632 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303678117 1128687276 /nfs/dbraw/zinc/68/72/76/1128687276.db2.gz IGTOTMAOJFCXAO-OALUTQOASA-N 1 3 338.536 3.696 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000303678117 1128687278 /nfs/dbraw/zinc/68/72/78/1128687278.db2.gz IGTOTMAOJFCXAO-OALUTQOASA-N 1 3 338.536 3.696 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000191605349 1120681546 /nfs/dbraw/zinc/68/15/46/1120681546.db2.gz FIHYRZXDXKPTAQ-FQEVSTJZSA-N 1 3 349.950 3.797 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000192785142 1120749133 /nfs/dbraw/zinc/74/91/33/1120749133.db2.gz LLPVDSITGDKBKZ-LJQANCHMSA-N 1 3 339.527 3.907 20 0 EHADHO C[NH+](C)CCOc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 ZINC000076901826 1128960197 /nfs/dbraw/zinc/96/01/97/1128960197.db2.gz MVVYVOVBMFISKP-UHFFFAOYSA-N 1 3 330.447 3.791 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000235110083 1121382275 /nfs/dbraw/zinc/38/22/75/1121382275.db2.gz UEMBYCFCVFGQCE-LSDHHAIUSA-N 1 3 339.321 3.702 20 0 EHADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000356706367 1128995995 /nfs/dbraw/zinc/99/59/95/1128995995.db2.gz XBIRYVOPDZDCQB-PVUWLOKVSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc(Br)cc32)CC[N@H+]1C ZINC000356706367 1128995997 /nfs/dbraw/zinc/99/59/97/1128995997.db2.gz XBIRYVOPDZDCQB-PVUWLOKVSA-N 1 3 337.305 3.899 20 0 EHADHO CN(C)Cc1cccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000076129470 1123472648 /nfs/dbraw/zinc/47/26/48/1123472648.db2.gz KXXBHGCBHYJQJR-UHFFFAOYSA-N 1 3 346.519 3.524 20 0 EHADHO CN(C)Cc1cccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000076129470 1123472651 /nfs/dbraw/zinc/47/26/51/1123472651.db2.gz KXXBHGCBHYJQJR-UHFFFAOYSA-N 1 3 346.519 3.524 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248854108 1124707621 /nfs/dbraw/zinc/70/76/21/1124707621.db2.gz QPUOUZFNMJZUAC-RLLQIKCJSA-N 1 3 332.532 3.817 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248854108 1124707628 /nfs/dbraw/zinc/70/76/28/1124707628.db2.gz QPUOUZFNMJZUAC-RLLQIKCJSA-N 1 3 332.532 3.817 20 0 EHADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000091338593 1124977333 /nfs/dbraw/zinc/97/73/33/1124977333.db2.gz WGTRBKRTDUQQJO-KRWDZBQOSA-N 1 3 328.504 3.880 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655789187 1125292566 /nfs/dbraw/zinc/29/25/66/1125292566.db2.gz XFRVRDOOWJSLSS-MBPVOVBZSA-N 1 3 334.548 3.967 20 0 EHADHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1ccc(F)cc1Br ZINC000673599779 1129609581 /nfs/dbraw/zinc/60/95/81/1129609581.db2.gz DITNWLWBDGRSIQ-ZDUSSCGKSA-N 1 3 345.300 3.839 20 0 EHADHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1ccc(F)cc1Br ZINC000673599779 1129609582 /nfs/dbraw/zinc/60/95/82/1129609582.db2.gz DITNWLWBDGRSIQ-ZDUSSCGKSA-N 1 3 345.300 3.839 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000673599779 1129609584 /nfs/dbraw/zinc/60/95/84/1129609584.db2.gz DITNWLWBDGRSIQ-ZDUSSCGKSA-N 1 3 345.300 3.839 20 0 EHADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436823 1129712105 /nfs/dbraw/zinc/71/21/05/1129712105.db2.gz JMBYTPBKYHMVNP-GCJKJVERSA-N 1 3 338.470 3.967 20 0 EHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000675493422 1130414482 /nfs/dbraw/zinc/41/44/82/1130414482.db2.gz ICQJELFQWWPVPM-HKBOAZHASA-N 1 3 330.516 3.961 20 0 EHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000675493422 1130414485 /nfs/dbraw/zinc/41/44/85/1130414485.db2.gz ICQJELFQWWPVPM-HKBOAZHASA-N 1 3 330.516 3.961 20 0 EHADHO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000347935604 1131092770 /nfs/dbraw/zinc/09/27/70/1131092770.db2.gz QARFDXMVTWIQJN-IUODEOHRSA-N 1 3 346.441 3.587 20 0 EHADHO S=c1ccn(C[N@@H+]2CC[C@H](CN3CCCC3)C2)c2ccccc12 ZINC000739877010 1131512443 /nfs/dbraw/zinc/51/24/43/1131512443.db2.gz RZXOOVULJHMFPG-MRXNPFEDSA-N 1 3 327.497 3.746 20 0 EHADHO S=c1ccn(C[N@H+]2CC[C@H](CN3CCCC3)C2)c2ccccc12 ZINC000739877010 1131512448 /nfs/dbraw/zinc/51/24/48/1131512448.db2.gz RZXOOVULJHMFPG-MRXNPFEDSA-N 1 3 327.497 3.746 20 0 EHADHO CC(C)OCC[C@H](C)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001172436815 1131740918 /nfs/dbraw/zinc/74/09/18/1131740918.db2.gz IYLDZTUJTIBZGZ-INIZCTEOSA-N 1 3 338.923 3.879 20 0 EHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172953645 1131929232 /nfs/dbraw/zinc/92/92/32/1131929232.db2.gz KLPUNHPPWUAVEW-AWEZNQCLSA-N 1 3 341.540 3.612 20 0 EHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001172953645 1131929238 /nfs/dbraw/zinc/92/92/38/1131929238.db2.gz KLPUNHPPWUAVEW-AWEZNQCLSA-N 1 3 341.540 3.612 20 0 EHADHO CCOC(=O)CC1(N)CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001173117748 1131973281 /nfs/dbraw/zinc/97/32/81/1131973281.db2.gz MPWXTSSIMFMQSX-UHFFFAOYSA-N 1 3 336.520 3.626 20 0 EHADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@@H]1F ZINC001206200348 1132070524 /nfs/dbraw/zinc/07/05/24/1132070524.db2.gz RESGCMSMNMBOIC-DLBZAZTESA-N 1 3 333.838 3.663 20 0 EHADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@@H]1F ZINC001206200348 1132070532 /nfs/dbraw/zinc/07/05/32/1132070532.db2.gz RESGCMSMNMBOIC-DLBZAZTESA-N 1 3 333.838 3.663 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)c1ccc(Br)cc1)C2 ZINC001169089799 1132661169 /nfs/dbraw/zinc/66/11/69/1132661169.db2.gz FZPDJWZLMKSTJY-PHZGNYQRSA-N 1 3 337.305 3.899 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)c1ccc(Br)cc1)C2 ZINC001169089799 1132661174 /nfs/dbraw/zinc/66/11/74/1132661174.db2.gz FZPDJWZLMKSTJY-PHZGNYQRSA-N 1 3 337.305 3.899 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001169122588 1132663133 /nfs/dbraw/zinc/66/31/33/1132663133.db2.gz ATTIIXJQESDGEE-BQJWPVKWSA-N 1 3 335.289 3.520 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC001169122588 1132663136 /nfs/dbraw/zinc/66/31/36/1132663136.db2.gz ATTIIXJQESDGEE-BQJWPVKWSA-N 1 3 335.289 3.520 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3nc4ccccc4o3)CC1)C2 ZINC001169126337 1132665770 /nfs/dbraw/zinc/66/57/70/1132665770.db2.gz RWXUJGIBFXMASY-BJWYYQGGSA-N 1 3 325.456 3.632 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3nc4ccccc4o3)CC1)C2 ZINC001169126337 1132665776 /nfs/dbraw/zinc/66/57/76/1132665776.db2.gz RWXUJGIBFXMASY-BJWYYQGGSA-N 1 3 325.456 3.632 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115728 1132673111 /nfs/dbraw/zinc/67/31/11/1132673111.db2.gz NPOGNHWPLOIWFV-NXOAAHMSSA-N 1 3 339.405 3.766 20 0 EHADHO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001177267681 1133050606 /nfs/dbraw/zinc/05/06/06/1133050606.db2.gz LISGNCZJQBAMMI-KNQAVFIVSA-N 1 3 343.559 3.883 20 0 EHADHO c1ccc(N2CCCCC2)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000768301867 1133122560 /nfs/dbraw/zinc/12/25/60/1133122560.db2.gz DKAWKFBUZKDWFD-UHFFFAOYSA-N 1 3 341.543 3.985 20 0 EHADHO FC(F)C1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000769553395 1133314454 /nfs/dbraw/zinc/31/44/54/1133314454.db2.gz HJHSCKINPZLOCD-VWPKTGOWSA-N 1 3 334.454 3.920 20 0 EHADHO C[C@H](C[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC000769683099 1133324173 /nfs/dbraw/zinc/32/41/73/1133324173.db2.gz VKLBRFOWLXRBIB-ZACQAIPSSA-N 1 3 341.540 3.532 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001180811911 1133419078 /nfs/dbraw/zinc/41/90/78/1133419078.db2.gz UJZKEBCBSGRXIM-ZWKOTPCHSA-N 1 3 345.531 3.820 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001180811911 1133419084 /nfs/dbraw/zinc/41/90/84/1133419084.db2.gz UJZKEBCBSGRXIM-ZWKOTPCHSA-N 1 3 345.531 3.820 20 0 EHADHO CC[C@@]1(O)CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073184 1133453846 /nfs/dbraw/zinc/45/38/46/1133453846.db2.gz NMYXYQUVNDFRTK-FCHUYYIVSA-N 1 3 344.543 3.772 20 0 EHADHO CC[C@@]1(O)CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073184 1133453848 /nfs/dbraw/zinc/45/38/48/1133453848.db2.gz NMYXYQUVNDFRTK-FCHUYYIVSA-N 1 3 344.543 3.772 20 0 EHADHO CC(C)(C)[C@]1(C[NH2+]CCC2(CO)CC2)CCN(Cc2ccccc2)C1 ZINC001181796474 1133528436 /nfs/dbraw/zinc/52/84/36/1133528436.db2.gz MSCZVAKDXQJJDB-QFIPXVFZSA-N 1 3 344.543 3.677 20 0 EHADHO CCCCN(CC)[C@@H](C(=O)NC(C)(C)CC[NH+](C)C)c1ccccc1 ZINC001182237790 1133604335 /nfs/dbraw/zinc/60/43/35/1133604335.db2.gz RZBKOKCARXRIAX-LJQANCHMSA-N 1 3 347.547 3.696 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482889 1133687934 /nfs/dbraw/zinc/68/79/34/1133687934.db2.gz FIHLTWSQMQWHSJ-QIJUGHKUSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000774482889 1133687938 /nfs/dbraw/zinc/68/79/38/1133687938.db2.gz FIHLTWSQMQWHSJ-QIJUGHKUSA-N 1 3 338.495 3.671 20 0 EHADHO C[C@@]1([NH3+])CCCN(Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205288901 1133886908 /nfs/dbraw/zinc/88/69/08/1133886908.db2.gz PXTRUXQJXROBDK-QGZVFWFLSA-N 1 3 348.288 3.701 20 0 EHADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@@H]2C1 ZINC001184387512 1133933833 /nfs/dbraw/zinc/93/38/33/1133933833.db2.gz LSZOGURFPGHQLJ-ITFFBMHBSA-N 1 3 349.316 3.625 20 0 EHADHO CN(C)Cc1cc(CN[C@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788607684 1134150908 /nfs/dbraw/zinc/15/09/08/1134150908.db2.gz MECCIQXCGOASHW-INIZCTEOSA-N 1 3 333.838 3.713 20 0 EHADHO C[NH+](C)Cc1cc(CN[C@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788607684 1134150910 /nfs/dbraw/zinc/15/09/10/1134150910.db2.gz MECCIQXCGOASHW-INIZCTEOSA-N 1 3 333.838 3.713 20 0 EHADHO CN(C)Cc1cc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788607684 1134150911 /nfs/dbraw/zinc/15/09/11/1134150911.db2.gz MECCIQXCGOASHW-INIZCTEOSA-N 1 3 333.838 3.713 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC[C@H](C)OC)cc1CN1CCCCC1 ZINC000775381854 1134690431 /nfs/dbraw/zinc/69/04/31/1134690431.db2.gz RSXOBRPDUYKCAV-DLBZAZTESA-N 1 3 334.504 3.757 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccncc2)ccc1OC ZINC000775401464 1134729001 /nfs/dbraw/zinc/72/90/01/1134729001.db2.gz PDLGQAHBVYUDQL-QGZVFWFLSA-N 1 3 341.499 3.825 20 0 EHADHO c1ccc(CN2C[C@@H]3C[N@H+](CCOC4CCCCCC4)C[C@@H]3C2)cc1 ZINC001193991350 1135218418 /nfs/dbraw/zinc/21/84/18/1135218418.db2.gz SSIFMWRUAJEYGH-OYRHEFFESA-N 1 3 342.527 3.790 20 0 EHADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOC4CCCCCC4)C[C@@H]3C2)cc1 ZINC001193991350 1135218420 /nfs/dbraw/zinc/21/84/20/1135218420.db2.gz SSIFMWRUAJEYGH-OYRHEFFESA-N 1 3 342.527 3.790 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)ccc1OC ZINC000810260008 1135943882 /nfs/dbraw/zinc/94/38/82/1135943882.db2.gz ZTJGEGWMJIDDKQ-JXFKEZNVSA-N 1 3 348.531 3.739 20 0 EHADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201435265 1136024678 /nfs/dbraw/zinc/02/46/78/1136024678.db2.gz QILZSBJXEZETCE-LJQANCHMSA-N 1 3 330.516 3.788 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850509772 1136274192 /nfs/dbraw/zinc/27/41/92/1136274192.db2.gz SIXGGSUNBKUNJS-OXJNMPFZSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850509772 1136274196 /nfs/dbraw/zinc/27/41/96/1136274196.db2.gz SIXGGSUNBKUNJS-OXJNMPFZSA-N 1 3 342.458 3.552 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CCC(O)CC2)ccc1OC ZINC000850556606 1136284847 /nfs/dbraw/zinc/28/48/47/1136284847.db2.gz SDURFBAVQRUCAA-VXESANQCSA-N 1 3 348.531 3.739 20 0 EHADHO CCC(CC)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559097 1136795179 /nfs/dbraw/zinc/79/51/79/1136795179.db2.gz MKILLQMTWJDBRA-FQEVSTJZSA-N 1 3 333.520 3.811 20 0 EHADHO CCC(CC)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559097 1136795181 /nfs/dbraw/zinc/79/51/81/1136795181.db2.gz MKILLQMTWJDBRA-FQEVSTJZSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604538 1136798268 /nfs/dbraw/zinc/79/82/68/1136798268.db2.gz OWNCTVCXUYEDCL-PXNSSMCTSA-N 1 3 333.520 3.810 20 0 EHADHO CC(C)C[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604538 1136798272 /nfs/dbraw/zinc/79/82/72/1136798272.db2.gz OWNCTVCXUYEDCL-PXNSSMCTSA-N 1 3 333.520 3.810 20 0 EHADHO Cc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000817894767 1136843922 /nfs/dbraw/zinc/84/39/22/1136843922.db2.gz ODBWPDKWBPBSPU-URLQWDBASA-N 1 3 328.481 3.963 20 0 EHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Br)s1 ZINC000817947752 1136849820 /nfs/dbraw/zinc/84/98/20/1136849820.db2.gz QFTIDHHLBMHLEL-LLVKDONJSA-N 1 3 339.302 3.863 20 0 EHADHO COc1ccc2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CCCS2 ZINC000817947570 1136850004 /nfs/dbraw/zinc/85/00/04/1136850004.db2.gz AYSFGFGEJHEMDA-LJQANCHMSA-N 1 3 342.508 3.913 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000818959354 1136895678 /nfs/dbraw/zinc/89/56/78/1136895678.db2.gz ILLRKCJUGBIZKB-GCJKJVERSA-N 1 3 338.495 3.884 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000818959354 1136895682 /nfs/dbraw/zinc/89/56/82/1136895682.db2.gz ILLRKCJUGBIZKB-GCJKJVERSA-N 1 3 338.495 3.884 20 0 EHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857864985 1136914997 /nfs/dbraw/zinc/91/49/97/1136914997.db2.gz JDNQSSWCSLCTJZ-OALUTQOASA-N 1 3 338.499 3.677 20 0 EHADHO CC(=O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC001170939418 1136964432 /nfs/dbraw/zinc/96/44/32/1136964432.db2.gz VAFBMGRANNSAKQ-OAQYLSRUSA-N 1 3 328.500 3.732 20 0 EHADHO CC(=O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC001170939418 1136964433 /nfs/dbraw/zinc/96/44/33/1136964433.db2.gz VAFBMGRANNSAKQ-OAQYLSRUSA-N 1 3 328.500 3.732 20 0 EHADHO CC1(C[NH2+]C2CCC(c3ccc(Br)cc3)CC2)CNC1 ZINC001246096062 1137008771 /nfs/dbraw/zinc/00/87/71/1137008771.db2.gz SYQCXZWDEBWHKP-UHFFFAOYSA-N 1 3 337.305 3.674 20 0 EHADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000173427486 1137106392 /nfs/dbraw/zinc/10/63/92/1137106392.db2.gz FAHYMYUTKDDURN-CVEARBPZSA-N 1 3 334.529 3.560 20 0 EHADHO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246347942 1137152442 /nfs/dbraw/zinc/15/24/42/1137152442.db2.gz KNHBZWIMDGJUSG-DOMZBBRYSA-N 1 3 325.294 3.500 20 0 EHADHO Cc1c[nH+]ccc1N1CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171132252 1137233645 /nfs/dbraw/zinc/23/36/45/1137233645.db2.gz DYWIUHITLVGUQK-IBGZPJMESA-N 1 3 341.886 3.723 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4nc(Cl)ccc34)CC2)CC1 ZINC001144416455 1137288183 /nfs/dbraw/zinc/28/81/83/1137288183.db2.gz IIVCVTIOYASIKT-UHFFFAOYSA-N 1 3 332.879 3.524 20 0 EHADHO CCn1ccnc1[C@H](C)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866468854 1137357166 /nfs/dbraw/zinc/35/71/66/1137357166.db2.gz DYTGGNMTFCBBIL-SFHVURJKSA-N 1 3 340.515 3.856 20 0 EHADHO CC(C)[NH+]1CCC(CCN[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000866468023 1137357292 /nfs/dbraw/zinc/35/72/92/1137357292.db2.gz XWHIWGIPFGEHLV-MRXNPFEDSA-N 1 3 328.504 3.734 20 0 EHADHO CSc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000348133044 1137444531 /nfs/dbraw/zinc/44/45/31/1137444531.db2.gz JPITYLFRFJZLSD-APWZRJJASA-N 1 3 341.524 3.804 20 0 EHADHO CSC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716626540 1137487886 /nfs/dbraw/zinc/48/78/86/1137487886.db2.gz OKPGJKZWVQTNIK-FHWLQOOXSA-N 1 3 330.541 3.915 20 0 EHADHO COC1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000716680063 1137488383 /nfs/dbraw/zinc/48/83/83/1137488383.db2.gz QGULKTJASIGMBY-ZCNNSNEGSA-N 1 3 328.500 3.588 20 0 EHADHO Cc1ccc(CC[C@H](C)[NH2+]C2CCN(CC3CCOCC3)CC2)cc1 ZINC001171667066 1137502979 /nfs/dbraw/zinc/50/29/79/1137502979.db2.gz SZXHKFDHQBZLHO-IBGZPJMESA-N 1 3 344.543 3.797 20 0 EHADHO Cc1cccnc1N1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171637382 1137504338 /nfs/dbraw/zinc/50/43/38/1137504338.db2.gz LTEGAUAWPFXASN-UHFFFAOYSA-N 1 3 344.547 3.554 20 0 EHADHO Cc1cccnc1N1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171637382 1137504339 /nfs/dbraw/zinc/50/43/39/1137504339.db2.gz LTEGAUAWPFXASN-UHFFFAOYSA-N 1 3 344.547 3.554 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001171963278 1137519954 /nfs/dbraw/zinc/51/99/54/1137519954.db2.gz FQUZJIVYKGHUFT-AWEZNQCLSA-N 1 3 326.406 3.664 20 0 EHADHO CCN1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172060871 1137528577 /nfs/dbraw/zinc/52/85/77/1137528577.db2.gz CXGZIZVOEPEDMP-DKUWSORSSA-N 1 3 341.543 3.646 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC001172101145 1137531781 /nfs/dbraw/zinc/53/17/81/1137531781.db2.gz WOBLCSRTGMCWJN-CLLJXQQHSA-N 1 3 329.307 3.616 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109725 1137537057 /nfs/dbraw/zinc/53/70/57/1137537057.db2.gz KJGPGQIDBXSSKU-OQMKEHIESA-N 1 3 343.298 3.632 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109725 1137537058 /nfs/dbraw/zinc/53/70/58/1137537058.db2.gz KJGPGQIDBXSSKU-OQMKEHIESA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109725 1137537060 /nfs/dbraw/zinc/53/70/60/1137537060.db2.gz KJGPGQIDBXSSKU-OQMKEHIESA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111476 1137537931 /nfs/dbraw/zinc/53/79/31/1137537931.db2.gz RPSXDRTVMCGVFZ-WCXIOVBPSA-N 1 3 343.298 3.632 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000877076826 1137669570 /nfs/dbraw/zinc/66/95/70/1137669570.db2.gz VUNADVSOBDTATK-KBMXLJTQSA-N 1 3 327.299 3.823 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076826 1137669571 /nfs/dbraw/zinc/66/95/71/1137669571.db2.gz VUNADVSOBDTATK-KBMXLJTQSA-N 1 3 327.299 3.823 20 0 EHADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546642 1137680807 /nfs/dbraw/zinc/68/08/07/1137680807.db2.gz VHKOIZDFDJGQGR-FQEVSTJZSA-N 1 3 345.487 3.561 20 0 EHADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546642 1137680808 /nfs/dbraw/zinc/68/08/08/1137680808.db2.gz VHKOIZDFDJGQGR-FQEVSTJZSA-N 1 3 345.487 3.561 20 0 EHADHO c1ccc([C@@H]2CCC[C@H](CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000883430626 1137860489 /nfs/dbraw/zinc/86/04/89/1137860489.db2.gz YXLZSFSVWDFKBG-NCYKPQTJSA-N 1 3 328.500 3.761 20 0 EHADHO CC1(C)Cc2occc2[C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C1 ZINC000331644613 1137915823 /nfs/dbraw/zinc/91/58/23/1137915823.db2.gz VLEDWPVEQBWFKP-GDBMZVCRSA-N 1 3 333.476 3.520 20 0 EHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886495066 1138083376 /nfs/dbraw/zinc/08/33/76/1138083376.db2.gz GRYNFRCXELGBPM-HXUWFJFHSA-N 1 3 328.504 3.749 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000886500097 1138084633 /nfs/dbraw/zinc/08/46/33/1138084633.db2.gz FRGIUIFUHXYBEL-UHFFFAOYSA-N 1 3 346.906 3.874 20 0 EHADHO C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC[C@H]1O ZINC000886537280 1138092388 /nfs/dbraw/zinc/09/23/88/1138092388.db2.gz XPSRDGPMCLARKZ-RTOMLYRKSA-N 1 3 342.527 3.570 20 0 EHADHO CCOCCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886554861 1138095500 /nfs/dbraw/zinc/09/55/00/1138095500.db2.gz FCJINHYVWIVDCI-ACRUOGEOSA-N 1 3 342.527 3.836 20 0 EHADHO CCOc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524046 1138211209 /nfs/dbraw/zinc/21/12/09/1138211209.db2.gz FWWDVOHJDICCOT-CZAAIQMYSA-N 1 3 346.515 3.504 20 0 EHADHO CC[N@@H+](Cc1scnc1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818841 1138241933 /nfs/dbraw/zinc/24/19/33/1138241933.db2.gz KIBYVZVXMAYVPT-GOSISDBHSA-N 1 3 329.513 3.796 20 0 EHADHO CC[N@H+](Cc1scnc1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818841 1138241935 /nfs/dbraw/zinc/24/19/35/1138241935.db2.gz KIBYVZVXMAYVPT-GOSISDBHSA-N 1 3 329.513 3.796 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000126647682 1138334814 /nfs/dbraw/zinc/33/48/14/1138334814.db2.gz QNTITSKLVFEULU-KRWDZBQOSA-N 1 3 343.540 3.655 20 0 EHADHO CCCN1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000151108224 1139009077 /nfs/dbraw/zinc/00/90/77/1139009077.db2.gz BBIFAXPKSWZFSG-QGZVFWFLSA-N 1 3 349.950 3.626 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715639 1140165551 /nfs/dbraw/zinc/16/55/51/1140165551.db2.gz QEGMBZVHYNFPFI-ZWKOTPCHSA-N 1 3 343.515 3.566 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715639 1140165552 /nfs/dbraw/zinc/16/55/52/1140165552.db2.gz QEGMBZVHYNFPFI-ZWKOTPCHSA-N 1 3 343.515 3.566 20 0 EHADHO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CCN(C(C)C)CC1)CCC2 ZINC000192971410 1140557442 /nfs/dbraw/zinc/55/74/42/1140557442.db2.gz MJPUKRCOFDGJGL-INIZCTEOSA-N 1 3 348.487 3.605 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC000268933438 1141029197 /nfs/dbraw/zinc/02/91/97/1141029197.db2.gz NFTFBPJFMHRJKB-FDKRGKGCSA-N 1 3 341.543 3.644 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000269061657 1141057978 /nfs/dbraw/zinc/05/79/78/1141057978.db2.gz UKHVWCASZCLIKT-CQSZACIVSA-N 1 3 348.487 3.662 20 0 EHADHO CCCN(CC[NH+]1CCCCC1)Cc1cc(-n2ccnc2)cs1 ZINC000348872220 1141601090 /nfs/dbraw/zinc/60/10/90/1141601090.db2.gz BUMCITFFDIRVTN-UHFFFAOYSA-N 1 3 332.517 3.632 20 0 EHADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]1Sc1ccccc1 ZINC000459396871 1032064297 /nfs/dbraw/zinc/06/42/97/1032064297.db2.gz WVHBXTIHPDMKCH-XUVXKRRUSA-N 1 3 346.540 3.541 20 0 EHADHO CCOc1ccccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537971571 1032071399 /nfs/dbraw/zinc/07/13/99/1032071399.db2.gz WXSCVOMOQNWXBS-FGTMMUONSA-N 1 3 334.504 3.625 20 0 EHADHO CCC1(CNCc2conc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000339323654 1014215854 /nfs/dbraw/zinc/21/58/54/1014215854.db2.gz PISLALYJHZUMEP-UHFFFAOYSA-N 1 3 327.472 3.765 20 0 EHADHO CN1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434901 1014434152 /nfs/dbraw/zinc/43/41/52/1014434152.db2.gz QDYIHFJILDHORK-IBGZPJMESA-N 1 3 329.875 3.806 20 0 EHADHO CN1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434901 1014434158 /nfs/dbraw/zinc/43/41/58/1014434158.db2.gz QDYIHFJILDHORK-IBGZPJMESA-N 1 3 329.875 3.806 20 0 EHADHO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001279341346 1014529934 /nfs/dbraw/zinc/52/99/34/1014529934.db2.gz LILWRXVJBMLFLO-KRWDZBQOSA-N 1 3 342.405 3.811 20 0 EHADHO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001279341346 1014529942 /nfs/dbraw/zinc/52/99/42/1014529942.db2.gz LILWRXVJBMLFLO-KRWDZBQOSA-N 1 3 342.405 3.811 20 0 EHADHO C[C@H]1CSCCN1Cc1ccccc1C[N@@H+]1CCSC[C@@H]1C ZINC000343731393 1032095101 /nfs/dbraw/zinc/09/51/01/1032095101.db2.gz BJRJKZQGEUEUBE-HOTGVXAUSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@H]1CSCCN1Cc1ccccc1C[N@H+]1CCSC[C@@H]1C ZINC000343731393 1032095107 /nfs/dbraw/zinc/09/51/07/1032095107.db2.gz BJRJKZQGEUEUBE-HOTGVXAUSA-N 1 3 336.570 3.561 20 0 EHADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606399 1015059403 /nfs/dbraw/zinc/05/94/03/1015059403.db2.gz FTEAZDBRHZLFCD-PKOBYXMFSA-N 1 3 336.907 3.663 20 0 EHADHO C[N@H+]1CCC[C@H](CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606399 1015059414 /nfs/dbraw/zinc/05/94/14/1015059414.db2.gz FTEAZDBRHZLFCD-PKOBYXMFSA-N 1 3 336.907 3.663 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649533 1016141919 /nfs/dbraw/zinc/14/19/19/1016141919.db2.gz ZOWGVTGMGJNYMU-GUYCJALGSA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649533 1016141925 /nfs/dbraw/zinc/14/19/25/1016141925.db2.gz ZOWGVTGMGJNYMU-GUYCJALGSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000449079439 1032169620 /nfs/dbraw/zinc/16/96/20/1032169620.db2.gz YVRFFHFQKHRHPR-VQTJNVASSA-N 1 3 343.559 3.546 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000528443361 1032306258 /nfs/dbraw/zinc/30/62/58/1032306258.db2.gz ONRQWVQUZDCXKU-UHFFFAOYSA-N 1 3 336.495 3.652 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459682909 1032410731 /nfs/dbraw/zinc/41/07/31/1032410731.db2.gz BBLIDEIHGDQBDQ-FGZHOGPDSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459682909 1032410736 /nfs/dbraw/zinc/41/07/36/1032410736.db2.gz BBLIDEIHGDQBDQ-FGZHOGPDSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[C@H](O)C(F)(F)F)CC1 ZINC000449325656 1032437454 /nfs/dbraw/zinc/43/74/54/1032437454.db2.gz OMPJKDDFWYSRFC-AWEZNQCLSA-N 1 3 338.458 3.569 20 0 EHADHO Fc1cc2c(c(F)c1F)[C@@H](NCCCCC[NH+]1CCCC1)CC2 ZINC000449346459 1032461933 /nfs/dbraw/zinc/46/19/33/1032461933.db2.gz ZOVKHSFZZKYZCP-HNNXBMFYSA-N 1 3 326.406 3.947 20 0 EHADHO CS[C@H]1CCCCN(CCC[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000118971718 1032484874 /nfs/dbraw/zinc/48/48/74/1032484874.db2.gz BDXRZWJEGKIEFL-IRXDYDNUSA-N 1 3 330.607 3.812 20 0 EHADHO CS[C@H]1CCCCN(CCC[N@H+]2CCCC[C@H](SC)C2)C1 ZINC000118971718 1032484880 /nfs/dbraw/zinc/48/48/80/1032484880.db2.gz BDXRZWJEGKIEFL-IRXDYDNUSA-N 1 3 330.607 3.812 20 0 EHADHO CC(C)[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000091287609 1032680617 /nfs/dbraw/zinc/68/06/17/1032680617.db2.gz JDWYDCWGOQHSAJ-FQEVSTJZSA-N 1 3 327.472 3.509 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccnc1 ZINC000091319395 1032685324 /nfs/dbraw/zinc/68/53/24/1032685324.db2.gz IEOWEWMSPHJOIE-IRLDBZIGSA-N 1 3 337.511 3.933 20 0 EHADHO FC(F)(F)[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000547928463 1017379981 /nfs/dbraw/zinc/37/99/81/1017379981.db2.gz BQKZWCRAAXWSRQ-KRWDZBQOSA-N 1 3 326.406 3.797 20 0 EHADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000415076858 1017508945 /nfs/dbraw/zinc/50/89/45/1017508945.db2.gz BNXUJFPRTBAKEV-OCCSQVGLSA-N 1 3 343.334 3.661 20 0 EHADHO C[C@H](CNC[C@@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415085144 1017517328 /nfs/dbraw/zinc/51/73/28/1017517328.db2.gz HYVJKQDSBLYRNX-CHWSQXEVSA-N 1 3 343.334 3.519 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000449561622 1032810452 /nfs/dbraw/zinc/81/04/52/1032810452.db2.gz WGIVZBYXACKULR-LNRIEFBSSA-N 1 3 349.906 3.580 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000449561622 1032810469 /nfs/dbraw/zinc/81/04/69/1032810469.db2.gz WGIVZBYXACKULR-LNRIEFBSSA-N 1 3 349.906 3.580 20 0 EHADHO C[C@H](Cn1cccn1)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345159463 1019994962 /nfs/dbraw/zinc/99/49/62/1019994962.db2.gz HLVWCJSGXKXURR-GUDVDZBRSA-N 1 3 340.515 3.539 20 0 EHADHO C[C@H](Cn1cccn1)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345159459 1019995235 /nfs/dbraw/zinc/99/52/35/1019995235.db2.gz HLVWCJSGXKXURR-CEXWTWQISA-N 1 3 340.515 3.539 20 0 EHADHO C[C@H](Cn1cccn1)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345159459 1019995239 /nfs/dbraw/zinc/99/52/39/1019995239.db2.gz HLVWCJSGXKXURR-CEXWTWQISA-N 1 3 340.515 3.539 20 0 EHADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000262026381 1020307093 /nfs/dbraw/zinc/30/70/93/1020307093.db2.gz YHXLNHTZQIDWIH-ZDUSSCGKSA-N 1 3 344.286 3.525 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2cccnc2)c1 ZINC000065976513 1020518796 /nfs/dbraw/zinc/51/87/96/1020518796.db2.gz HPOWZJBRSFQANB-UHFFFAOYSA-N 1 3 349.482 3.602 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2cccnc2)c1 ZINC000065976513 1020518800 /nfs/dbraw/zinc/51/88/00/1020518800.db2.gz HPOWZJBRSFQANB-UHFFFAOYSA-N 1 3 349.482 3.602 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000581518611 1021038614 /nfs/dbraw/zinc/03/86/14/1021038614.db2.gz KVUJQHOTJHMNMI-XLAORIBOSA-N 1 3 340.433 3.870 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000581518611 1021038621 /nfs/dbraw/zinc/03/86/21/1021038621.db2.gz KVUJQHOTJHMNMI-XLAORIBOSA-N 1 3 340.433 3.870 20 0 EHADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246584 1021179537 /nfs/dbraw/zinc/17/95/37/1021179537.db2.gz KNDIMZLFYUCYPY-IIYDPXPESA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246584 1021179541 /nfs/dbraw/zinc/17/95/41/1021179541.db2.gz KNDIMZLFYUCYPY-IIYDPXPESA-N 1 3 337.305 3.899 20 0 EHADHO Clc1cc(Br)ccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002513 1021581277 /nfs/dbraw/zinc/58/12/77/1021581277.db2.gz DTHHRTVELRWYQG-DZGCQCFKSA-N 1 3 343.696 3.580 20 0 EHADHO Fc1ccc(Br)cc1CNCCCCC[NH+]1CCCC1 ZINC000516880228 1021813308 /nfs/dbraw/zinc/81/33/08/1021813308.db2.gz KRSVAFORTAKMAF-UHFFFAOYSA-N 1 3 343.284 3.944 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000441041801 1021938809 /nfs/dbraw/zinc/93/88/09/1021938809.db2.gz OHZHXADOHWNUPD-WOJBJXKFSA-N 1 3 335.580 3.693 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000415052001 1022166077 /nfs/dbraw/zinc/16/60/77/1022166077.db2.gz KNPYVFOBCOPTKJ-QGZVFWFLSA-N 1 3 346.858 3.681 20 0 EHADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000438210541 1022471851 /nfs/dbraw/zinc/47/18/51/1022471851.db2.gz JBDHAHAOMUQFOF-QUCCMNQESA-N 1 3 340.486 3.911 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000280804094 1022798775 /nfs/dbraw/zinc/79/87/75/1022798775.db2.gz IQBQFVUKUICWSL-NRFANRHFSA-N 1 3 339.483 3.653 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158093063 1022823017 /nfs/dbraw/zinc/82/30/17/1022823017.db2.gz QSKKIVOMNSYIQC-IRXDYDNUSA-N 1 3 346.519 3.553 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158093063 1022823037 /nfs/dbraw/zinc/82/30/37/1022823037.db2.gz QSKKIVOMNSYIQC-IRXDYDNUSA-N 1 3 346.519 3.553 20 0 EHADHO COc1cc(-c2ccccc2)ccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430917862 1022869569 /nfs/dbraw/zinc/86/95/69/1022869569.db2.gz KXWLEKIEMHVBEO-UHFFFAOYSA-N 1 3 336.479 3.938 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000414941235 1022914772 /nfs/dbraw/zinc/91/47/72/1022914772.db2.gz LEHLVTMJPCHINJ-VFNWGFHPSA-N 1 3 344.449 3.706 20 0 EHADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(Cc1ccccc1F)Cc1ccccc1F ZINC000414941235 1022914784 /nfs/dbraw/zinc/91/47/84/1022914784.db2.gz LEHLVTMJPCHINJ-VFNWGFHPSA-N 1 3 344.449 3.706 20 0 EHADHO COc1cccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168001311 1023255183 /nfs/dbraw/zinc/25/51/83/1023255183.db2.gz AHPGSPMAANIIGW-MQEZQYLSSA-N 1 3 340.511 3.890 20 0 EHADHO COc1cccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168001311 1023255190 /nfs/dbraw/zinc/25/51/90/1023255190.db2.gz AHPGSPMAANIIGW-MQEZQYLSSA-N 1 3 340.511 3.890 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000283216609 1023413800 /nfs/dbraw/zinc/41/38/00/1023413800.db2.gz HONJVKKEPKGQCW-OAQYLSRUSA-N 1 3 329.532 3.630 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000283216609 1023413803 /nfs/dbraw/zinc/41/38/03/1023413803.db2.gz HONJVKKEPKGQCW-OAQYLSRUSA-N 1 3 329.532 3.630 20 0 EHADHO C[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000092562450 1023451330 /nfs/dbraw/zinc/45/13/30/1023451330.db2.gz HJRDLGUUDIPRTK-AOCRQIFASA-N 1 3 338.536 3.599 20 0 EHADHO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481581 1023475313 /nfs/dbraw/zinc/47/53/13/1023475313.db2.gz PGFDQHSTHKFTAK-VCOUNFBDSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644558 1023986009 /nfs/dbraw/zinc/98/60/09/1023986009.db2.gz IVGXVWSQHJTHGQ-ICSRJNTNSA-N 1 3 331.548 3.559 20 0 EHADHO C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644558 1023986022 /nfs/dbraw/zinc/98/60/22/1023986022.db2.gz IVGXVWSQHJTHGQ-ICSRJNTNSA-N 1 3 331.548 3.559 20 0 EHADHO CCN1CCN(c2ccccc2C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000434779357 1024416792 /nfs/dbraw/zinc/41/67/92/1024416792.db2.gz UTJFHCREMUVWIY-UHFFFAOYSA-N 1 3 327.516 3.641 20 0 EHADHO C[C@H](NCc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]C1 ZINC000414857891 1024499393 /nfs/dbraw/zinc/49/93/93/1024499393.db2.gz QKSQNBYWDPZSLN-WMZOPIPTSA-N 1 3 334.467 3.503 20 0 EHADHO C[C@@H]1CC(NCCO[C@@H]2CCCCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168028522 1024507020 /nfs/dbraw/zinc/50/70/20/1024507020.db2.gz PEGMIWMOWACOBM-DBXWQHBBSA-N 1 3 346.515 3.561 20 0 EHADHO C[C@H]1CC([NH2+]Cc2ccc(F)nc2)C[C@H](C)N1Cc1ccccc1 ZINC001168030371 1024578294 /nfs/dbraw/zinc/57/82/94/1024578294.db2.gz VJCPRAUHDTWKID-HOTGVXAUSA-N 1 3 327.447 3.752 20 0 EHADHO CCN(Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435382332 1024865441 /nfs/dbraw/zinc/86/54/41/1024865441.db2.gz YWZZWOGJFAEPCD-FQEVSTJZSA-N 1 3 339.483 3.625 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2SC)[C@@H](C)C1 ZINC000346605864 1024945558 /nfs/dbraw/zinc/94/55/58/1024945558.db2.gz JAYCFYGEATUPJO-WMZOPIPTSA-N 1 3 336.545 3.635 20 0 EHADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428221354 1025056073 /nfs/dbraw/zinc/05/60/73/1025056073.db2.gz KHWGCGVRMJHHBV-BGJPATFMSA-N 1 3 344.543 3.674 20 0 EHADHO Clc1ccc(CNCCC[NH2+]Cc2cccnc2)c2ncccc12 ZINC000414872639 1025092831 /nfs/dbraw/zinc/09/28/31/1025092831.db2.gz GFUDVGXWSGSYTC-UHFFFAOYSA-N 1 3 340.858 3.553 20 0 EHADHO CCCOc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924999871 1025218146 /nfs/dbraw/zinc/21/81/46/1025218146.db2.gz OFTRMDYTGVEIMI-INIZCTEOSA-N 1 3 327.472 3.783 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1(C)C ZINC000442875714 1025547154 /nfs/dbraw/zinc/54/71/54/1025547154.db2.gz WOSFTWUHJDLDFA-PKOBYXMFSA-N 1 3 349.950 3.592 20 0 EHADHO Cc1cc2cc([C@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)oc2cc1C ZINC000442878315 1025556892 /nfs/dbraw/zinc/55/68/92/1025556892.db2.gz SRQDXGPEJWQQML-KRWDZBQOSA-N 1 3 343.515 3.726 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000530318993 1025628026 /nfs/dbraw/zinc/62/80/26/1025628026.db2.gz ZNNYODFWZFACTQ-GASCZTMLSA-N 1 3 326.431 3.603 20 0 EHADHO C[C@H](c1cccc(Br)c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247977445 1124632793 /nfs/dbraw/zinc/63/27/93/1124632793.db2.gz HYGMICORLZXQQQ-KGLIPLIRSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@H](c1cccc(Br)c1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247977445 1124632796 /nfs/dbraw/zinc/63/27/96/1124632796.db2.gz HYGMICORLZXQQQ-KGLIPLIRSA-N 1 3 325.294 3.784 20 0 EHADHO Cc1cnc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC000560465771 1026950375 /nfs/dbraw/zinc/95/03/75/1026950375.db2.gz RYDFGQSFVXWOQE-UHFFFAOYSA-N 1 3 329.513 3.984 20 0 EHADHO Cc1cnc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000560465771 1026950383 /nfs/dbraw/zinc/95/03/83/1026950383.db2.gz RYDFGQSFVXWOQE-UHFFFAOYSA-N 1 3 329.513 3.984 20 0 EHADHO C[NH+]1CCC(NCc2csc3c2cccc3Br)CC1 ZINC000563439899 1026978845 /nfs/dbraw/zinc/97/88/45/1026978845.db2.gz JHJVAVWOVUILJM-UHFFFAOYSA-N 1 3 339.302 3.848 20 0 EHADHO CC[NH+](CC)CCOC1CCN(CCc2ccccc2Cl)CC1 ZINC000075007775 1027096984 /nfs/dbraw/zinc/09/69/84/1027096984.db2.gz WKIJYBXJIFIQCO-UHFFFAOYSA-N 1 3 338.923 3.705 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422739665 1027903849 /nfs/dbraw/zinc/90/38/49/1027903849.db2.gz LUMFQXQXBIHLGA-CJNGLKHVSA-N 1 3 337.305 3.588 20 0 EHADHO CCN(CC)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000459360193 1027911264 /nfs/dbraw/zinc/91/12/64/1027911264.db2.gz FKKHIRJOGYCMQW-HXUWFJFHSA-N 1 3 349.950 3.939 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCSCc1ccccc1F ZINC000422765084 1027945656 /nfs/dbraw/zinc/94/56/56/1027945656.db2.gz KJIFOBMSMRKSHI-CYBMUJFWSA-N 1 3 333.476 3.572 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000422807367 1027956736 /nfs/dbraw/zinc/95/67/36/1027956736.db2.gz MMQAETACTMFNJO-QRWLVFNGSA-N 1 3 329.463 3.906 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422823004 1027968251 /nfs/dbraw/zinc/96/82/51/1027968251.db2.gz CGBBRBODTKXELH-YLJYHZDGSA-N 1 3 348.494 3.562 20 0 EHADHO COc1ccccc1C[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422832487 1027973997 /nfs/dbraw/zinc/97/39/97/1027973997.db2.gz XSGSNTMICNRCJE-OXJNMPFZSA-N 1 3 341.499 3.775 20 0 EHADHO Cc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)N2CCCC2)cc1 ZINC000422832766 1027975612 /nfs/dbraw/zinc/97/56/12/1027975612.db2.gz VOTWHGLVLDUEAT-FSSWDIPSSA-N 1 3 335.495 3.866 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(OCC(C)C)cc1 ZINC000422859877 1027997031 /nfs/dbraw/zinc/99/70/31/1027997031.db2.gz LEEMGWZSYFOMBA-INIZCTEOSA-N 1 3 341.499 3.777 20 0 EHADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422885915 1028020500 /nfs/dbraw/zinc/02/05/00/1028020500.db2.gz ZLMJATRBIPXZNY-SOLBZPMBSA-N 1 3 335.923 3.582 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(Sc2ccccc2)CC1 ZINC000422907931 1028038607 /nfs/dbraw/zinc/03/86/07/1028038607.db2.gz LUUKQINILABIGG-QFBILLFUSA-N 1 3 326.509 3.859 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000422941594 1028071165 /nfs/dbraw/zinc/07/11/65/1028071165.db2.gz JNIWCMKZVZCWER-HNNXBMFYSA-N 1 3 335.451 3.732 20 0 EHADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422947476 1028085448 /nfs/dbraw/zinc/08/54/48/1028085448.db2.gz QFDZBVMTQWOAIA-ZACQAIPSSA-N 1 3 342.405 3.595 20 0 EHADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422951355 1028088115 /nfs/dbraw/zinc/08/81/15/1028088115.db2.gz YGQGAKVNOWWZFX-GVDBMIGSSA-N 1 3 342.405 3.595 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCOc1cccc2cccnc21 ZINC000422956863 1028095844 /nfs/dbraw/zinc/09/58/44/1028095844.db2.gz RCDVWBXGSVGKDQ-XLIONFOSSA-N 1 3 349.478 3.552 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011919 1028123418 /nfs/dbraw/zinc/12/34/18/1028123418.db2.gz JQDDZAJBODASBI-GUYCJALGSA-N 1 3 349.931 3.984 20 0 EHADHO FC(F)(F)Oc1cccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423103529 1028185233 /nfs/dbraw/zinc/18/52/33/1028185233.db2.gz LBKUCPBZKYMTBX-HOCLYGCPSA-N 1 3 328.378 3.768 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423140870 1028226340 /nfs/dbraw/zinc/22/63/40/1028226340.db2.gz NGRHKISSHRCKGL-DZUCGIPZSA-N 1 3 337.305 3.945 20 0 EHADHO C[C@@H]1CCCC[C@@H]1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000414725032 1028297281 /nfs/dbraw/zinc/29/72/81/1028297281.db2.gz UOEATQOFEWUVRF-ZACQAIPSSA-N 1 3 333.545 3.914 20 0 EHADHO CC1CCN([C@@H](C[NH2+]C2CCN(C3CC3)CC2)c2ccccc2)CC1 ZINC000459371926 1028322652 /nfs/dbraw/zinc/32/26/52/1028322652.db2.gz KQLIPPMHKMKANC-QFIPXVFZSA-N 1 3 341.543 3.676 20 0 EHADHO CCCOc1ccc([C@H](C)NCC2=CC[NH2+]CC2)c(OCCC)c1 ZINC000423347834 1028362801 /nfs/dbraw/zinc/36/28/01/1028362801.db2.gz RISLILIAHZDIHQ-INIZCTEOSA-N 1 3 332.488 3.835 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000423359996 1028386080 /nfs/dbraw/zinc/38/60/80/1028386080.db2.gz DYZSXBQIDLGIFH-FMKPAKJESA-N 1 3 328.378 3.896 20 0 EHADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423505823 1028469989 /nfs/dbraw/zinc/46/99/89/1028469989.db2.gz HIUVRTAANGQAAX-JSXRDJHFSA-N 1 3 335.495 3.761 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000246965100 1028721453 /nfs/dbraw/zinc/72/14/53/1028721453.db2.gz JBLSHYQCOXXNEA-RBSFLKMASA-N 1 3 326.431 3.505 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000248409899 1028894922 /nfs/dbraw/zinc/89/49/22/1028894922.db2.gz XGWPKTBSLCFYLG-XRXFAXGQSA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248461604 1028914753 /nfs/dbraw/zinc/91/47/53/1028914753.db2.gz XPYFMKODGGIAFY-KKSFZXQISA-N 1 3 342.458 3.633 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248461604 1028914766 /nfs/dbraw/zinc/91/47/66/1028914766.db2.gz XPYFMKODGGIAFY-KKSFZXQISA-N 1 3 342.458 3.633 20 0 EHADHO CCc1nc(C)c([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000162534572 1028941734 /nfs/dbraw/zinc/94/17/34/1028941734.db2.gz AUDWZKDQSPSYMZ-CQSZACIVSA-N 1 3 347.528 3.805 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCOC2CCCC2)C3)cc1 ZINC000248996184 1028974201 /nfs/dbraw/zinc/97/42/01/1028974201.db2.gz OYAGHEYKRGCXGM-OWZKRDHZSA-N 1 3 328.500 3.731 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCOC2CCCC2)C3)cc1 ZINC000248996184 1028974215 /nfs/dbraw/zinc/97/42/15/1028974215.db2.gz OYAGHEYKRGCXGM-OWZKRDHZSA-N 1 3 328.500 3.731 20 0 EHADHO C[NH+](C)Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000123698264 1028999830 /nfs/dbraw/zinc/99/98/30/1028999830.db2.gz IKDZTHUFVDHKSH-FQEVSTJZSA-N 1 3 326.509 3.868 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCc3sccc32)c1 ZINC000162577088 1029021731 /nfs/dbraw/zinc/02/17/31/1029021731.db2.gz SOMQHHOFZBZPSU-SFHVURJKSA-N 1 3 330.497 3.856 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789276 1029079724 /nfs/dbraw/zinc/07/97/24/1029079724.db2.gz YINIJLNWGTWFFQ-ROUUACIJSA-N 1 3 341.524 3.940 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000162902520 1029667749 /nfs/dbraw/zinc/66/77/49/1029667749.db2.gz ZMAHYKNXCIKEOD-MRXNPFEDSA-N 1 3 338.451 3.862 20 0 EHADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000525484685 1029865623 /nfs/dbraw/zinc/86/56/23/1029865623.db2.gz KFPLOOFTCCJPEZ-SQNIBIBYSA-N 1 3 343.515 3.872 20 0 EHADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000525484685 1029865631 /nfs/dbraw/zinc/86/56/31/1029865631.db2.gz KFPLOOFTCCJPEZ-SQNIBIBYSA-N 1 3 343.515 3.872 20 0 EHADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC000089513197 1029931737 /nfs/dbraw/zinc/93/17/37/1029931737.db2.gz QYELIWWHJQVRJY-ZDUSSCGKSA-N 1 3 339.549 3.554 20 0 EHADHO Cc1ccncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453323956 1030104257 /nfs/dbraw/zinc/10/42/57/1030104257.db2.gz KFSXCEVDNOIVIR-BHDDXSALSA-N 1 3 335.495 3.923 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1cccc(OCC(F)(F)F)c1 ZINC000650718310 1030145392 /nfs/dbraw/zinc/14/53/92/1030145392.db2.gz GQZFWBBMTLQWSV-UHFFFAOYSA-N 1 3 338.373 3.637 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000531967156 1030158247 /nfs/dbraw/zinc/15/82/47/1030158247.db2.gz APJISGKMIKTBBG-SPEDKVCISA-N 1 3 344.543 3.963 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000531967156 1030158258 /nfs/dbraw/zinc/15/82/58/1030158258.db2.gz APJISGKMIKTBBG-SPEDKVCISA-N 1 3 344.543 3.963 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157682147 1030744538 /nfs/dbraw/zinc/74/45/38/1030744538.db2.gz JMWROZLYCJWGFP-WMQCIHAUSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000157682147 1030744552 /nfs/dbraw/zinc/74/45/52/1030744552.db2.gz JMWROZLYCJWGFP-WMQCIHAUSA-N 1 3 348.531 3.873 20 0 EHADHO COc1cc2c(c(CN3CCC(CCC[NH+](C)C)CC3)c1)O[C@H](C)C2 ZINC000537648523 1030745967 /nfs/dbraw/zinc/74/59/67/1030745967.db2.gz JMEIXCMFJIJPQO-MRXNPFEDSA-N 1 3 346.515 3.572 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000122969189 1030816176 /nfs/dbraw/zinc/81/61/76/1030816176.db2.gz VQWGMZBZFPMUFB-MRXNPFEDSA-N 1 3 332.488 3.763 20 0 EHADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000131224899 1030988866 /nfs/dbraw/zinc/98/88/66/1030988866.db2.gz ZVNMSKNJFIMNMZ-KRWDZBQOSA-N 1 3 343.515 3.584 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976256 1031411348 /nfs/dbraw/zinc/41/13/48/1031411348.db2.gz ONSGDEJNGMNYEA-ZIAGYGMSSA-N 1 3 328.859 3.663 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000483976256 1031411357 /nfs/dbraw/zinc/41/13/57/1031411357.db2.gz ONSGDEJNGMNYEA-ZIAGYGMSSA-N 1 3 328.859 3.663 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccncc1 ZINC000527990930 1031548139 /nfs/dbraw/zinc/54/81/39/1031548139.db2.gz SKLCPHUJSXPHRI-BRKWEVRTSA-N 1 3 335.495 3.685 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1OC ZINC000584140372 1031792933 /nfs/dbraw/zinc/79/29/33/1031792933.db2.gz FYGZIYQESGXLAL-BRWVUGGUSA-N 1 3 334.504 3.516 20 0 EHADHO c1cc(-c2n[nH]cc2CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000904416457 1032027054 /nfs/dbraw/zinc/02/70/54/1032027054.db2.gz MZITXDSOLNOJCH-OAHLLOKOSA-N 1 3 344.528 3.740 20 0 EHADHO Cc1cc(C)cc(-c2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)c1 ZINC000608057856 1033473459 /nfs/dbraw/zinc/47/34/59/1033473459.db2.gz MEODNJAQJKUOGU-UHFFFAOYSA-N 1 3 338.495 3.517 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccncc2s1 ZINC000657918086 1033637069 /nfs/dbraw/zinc/63/70/69/1033637069.db2.gz AMHHDGFVEMDNAT-OAGGEKHMSA-N 1 3 347.528 3.836 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657919976 1033651785 /nfs/dbraw/zinc/65/17/85/1033651785.db2.gz SPMNKPPRSXGFOJ-QLFBSQMISA-N 1 3 341.446 3.559 20 0 EHADHO CC[N@H+]1C[C@H](N[C@@H](C)c2ccc(Oc3cccnc3)cc2)[C@@H](C)C1 ZINC000489798234 1033685014 /nfs/dbraw/zinc/68/50/14/1033685014.db2.gz DXLPWYSFZRFKPB-FTRWYGJKSA-N 1 3 325.456 3.865 20 0 EHADHO CC[N@@H+]1C[C@H](N[C@@H](C)c2ccc(Oc3cccnc3)cc2)[C@@H](C)C1 ZINC000489798234 1033685017 /nfs/dbraw/zinc/68/50/17/1033685017.db2.gz DXLPWYSFZRFKPB-FTRWYGJKSA-N 1 3 325.456 3.865 20 0 EHADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658123942 1033981049 /nfs/dbraw/zinc/98/10/49/1033981049.db2.gz OCXHREUWUOIGKT-RJGXRXQPSA-N 1 3 349.522 3.823 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)CC2)ccn1 ZINC000658164886 1034029943 /nfs/dbraw/zinc/02/99/43/1034029943.db2.gz GJMXGAAQYRTGPA-SFTDATJTSA-N 1 3 327.516 3.852 20 0 EHADHO c1ccc2c(c1)CCC[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)C2 ZINC000658166395 1034032489 /nfs/dbraw/zinc/03/24/89/1034032489.db2.gz UYQHDASCJQXHEF-HSZRJFAPSA-N 1 3 349.522 3.831 20 0 EHADHO C[C@@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658361913 1034244301 /nfs/dbraw/zinc/24/43/01/1034244301.db2.gz PLXOPAMPPPZFEV-OSZJIOELSA-N 1 3 338.495 3.609 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000450450833 1034351787 /nfs/dbraw/zinc/35/17/87/1034351787.db2.gz HPCJYMRGBHTSIK-UHFFFAOYSA-N 1 3 346.515 3.551 20 0 EHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329367 1034403938 /nfs/dbraw/zinc/40/39/38/1034403938.db2.gz NOXXCYSXEINTKG-UONOGXRCSA-N 1 3 340.870 3.631 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cnc(C3CC3)o2)C[N@@H+]1Cc1ccccc1 ZINC000628230842 1034538718 /nfs/dbraw/zinc/53/87/18/1034538718.db2.gz VXBUJWAHJNGKNQ-WMZOPIPTSA-N 1 3 339.483 3.942 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cnc(C3CC3)o2)C[N@H+]1Cc1ccccc1 ZINC000628230842 1034538730 /nfs/dbraw/zinc/53/87/30/1034538730.db2.gz VXBUJWAHJNGKNQ-WMZOPIPTSA-N 1 3 339.483 3.942 20 0 EHADHO C[C@H](CN1CC[C@@H](c2ccco2)C1)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000605576707 1034724433 /nfs/dbraw/zinc/72/44/33/1034724433.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 1 3 328.456 3.788 20 0 EHADHO C[C@H](CN1CC[C@@H](c2ccco2)C1)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000605576707 1034724448 /nfs/dbraw/zinc/72/44/48/1034724448.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 1 3 328.456 3.788 20 0 EHADHO C[C@@H](CN1CC[C@H](c2ccco2)C1)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576707 1034724464 /nfs/dbraw/zinc/72/44/64/1034724464.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 1 3 328.456 3.788 20 0 EHADHO C[C@@H](CN1CC[C@H](c2ccco2)C1)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000605576707 1034724479 /nfs/dbraw/zinc/72/44/79/1034724479.db2.gz OODSDGGOSKXDSV-NNZMDNLPSA-N 1 3 328.456 3.788 20 0 EHADHO CC(CN1CC[C@H](c2ccco2)C1)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000605576709 1034724598 /nfs/dbraw/zinc/72/45/98/1034724598.db2.gz OODSDGGOSKXDSV-ROUUACIJSA-N 1 3 328.456 3.788 20 0 EHADHO CC(CN1CC[C@H](c2ccco2)C1)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000605576709 1034724616 /nfs/dbraw/zinc/72/46/16/1034724616.db2.gz OODSDGGOSKXDSV-ROUUACIJSA-N 1 3 328.456 3.788 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H](C)C1 ZINC000121455086 1034957895 /nfs/dbraw/zinc/95/78/95/1034957895.db2.gz CFGGPDFOYARFPD-APWZRJJASA-N 1 3 330.472 3.659 20 0 EHADHO CC[C@H]1CN(Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1[NH3+] ZINC000647498214 1035349692 /nfs/dbraw/zinc/34/96/92/1035349692.db2.gz CUPUBZJMABEYRG-PKOBYXMFSA-N 1 3 334.467 3.585 20 0 EHADHO C[NH+](C)CCOc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000588179229 1035804598 /nfs/dbraw/zinc/80/45/98/1035804598.db2.gz OBNLAYGHNQERCA-UHFFFAOYSA-N 1 3 342.458 3.935 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000414177090 1035912245 /nfs/dbraw/zinc/91/22/45/1035912245.db2.gz JNKUYDBYHVCYHB-KBPBESRZSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177090 1035912254 /nfs/dbraw/zinc/91/22/54/1035912254.db2.gz JNKUYDBYHVCYHB-KBPBESRZSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000414195226 1036010569 /nfs/dbraw/zinc/01/05/69/1036010569.db2.gz UYRMHZCPWNPBIK-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000414195226 1036010588 /nfs/dbraw/zinc/01/05/88/1036010588.db2.gz UYRMHZCPWNPBIK-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000192794792 1036551426 /nfs/dbraw/zinc/55/14/26/1036551426.db2.gz GEYXURZKAUYWOI-OAQYLSRUSA-N 1 3 343.559 3.509 20 0 EHADHO Cc1cc(C)cc([C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000192794792 1036551439 /nfs/dbraw/zinc/55/14/39/1036551439.db2.gz GEYXURZKAUYWOI-OAQYLSRUSA-N 1 3 343.559 3.509 20 0 EHADHO FC(F)(F)c1cccc(OCCCCN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462395844 1036922496 /nfs/dbraw/zinc/92/24/96/1036922496.db2.gz WDWVBSBXEBWTBM-KRWDZBQOSA-N 1 3 342.405 3.550 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C(C)(C)O1 ZINC000311042350 1036947996 /nfs/dbraw/zinc/94/79/96/1036947996.db2.gz FFSBSCVOFYGFHT-NMLBUPMWSA-N 1 3 342.527 3.833 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4COc5ccccc54)[C@H]3C2)cc1 ZINC000311835387 1037046318 /nfs/dbraw/zinc/04/63/18/1037046318.db2.gz PTGNTMFWURDLBQ-LGGPRVQUSA-N 1 3 348.490 3.663 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818207 1037240844 /nfs/dbraw/zinc/24/08/44/1037240844.db2.gz KENDIMXCZFLEAY-UKRRQHHQSA-N 1 3 330.394 3.747 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000539818207 1037240857 /nfs/dbraw/zinc/24/08/57/1037240857.db2.gz KENDIMXCZFLEAY-UKRRQHHQSA-N 1 3 330.394 3.747 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000423378813 1037336097 /nfs/dbraw/zinc/33/60/97/1037336097.db2.gz WQACXVLWALWCKJ-UHIISALHSA-N 1 3 329.307 3.821 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423393162 1037338350 /nfs/dbraw/zinc/33/83/50/1037338350.db2.gz QOLLGDQJMFBYMA-RRQGHBQHSA-N 1 3 329.513 3.963 20 0 EHADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183153039 1037932380 /nfs/dbraw/zinc/93/23/80/1037932380.db2.gz RNJJQIUVUBLRAQ-ZIBCJSCZSA-N 1 3 344.543 3.674 20 0 EHADHO Cc1nccn1CCCCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000125528220 1038339110 /nfs/dbraw/zinc/33/91/10/1038339110.db2.gz YOWQUQYWFDGCLE-IBGZPJMESA-N 1 3 340.515 3.568 20 0 EHADHO Cc1nccn1CCCCN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000125528220 1038339123 /nfs/dbraw/zinc/33/91/23/1038339123.db2.gz YOWQUQYWFDGCLE-IBGZPJMESA-N 1 3 340.515 3.568 20 0 EHADHO FC(F)(F)C1(CNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000552333857 1039191080 /nfs/dbraw/zinc/19/10/80/1039191080.db2.gz QRHJSIUWASDYBW-UHFFFAOYSA-N 1 3 326.406 3.626 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000554372532 1039285884 /nfs/dbraw/zinc/28/58/84/1039285884.db2.gz NNCGPGONIMCPFU-FKSLSLAPSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554372532 1039285897 /nfs/dbraw/zinc/28/58/97/1039285897.db2.gz NNCGPGONIMCPFU-FKSLSLAPSA-N 1 3 334.454 3.920 20 0 EHADHO FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000554372532 1039285905 /nfs/dbraw/zinc/28/59/05/1039285905.db2.gz NNCGPGONIMCPFU-FKSLSLAPSA-N 1 3 334.454 3.920 20 0 EHADHO [NH3+][C@@H]1CC[C@H](CN[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000925882448 1039290624 /nfs/dbraw/zinc/29/06/24/1039290624.db2.gz MISZARMGSJNPTR-XGWLTEMNSA-N 1 3 349.272 3.849 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000480614708 1039756928 /nfs/dbraw/zinc/75/69/28/1039756928.db2.gz ODJHKBPFYAOGCG-VMBXEPDQSA-N 1 3 343.559 3.607 20 0 EHADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(F)cc1 ZINC000500130237 1040570930 /nfs/dbraw/zinc/57/09/30/1040570930.db2.gz RIQGFRXBUGEDGZ-FQEVSTJZSA-N 1 3 335.511 3.529 20 0 EHADHO CC[NH+](CC)CCOC1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411306435 1040710997 /nfs/dbraw/zinc/71/09/97/1040710997.db2.gz WDOHUWJAEOLQJL-VQTJNVASSA-N 1 3 334.479 3.504 20 0 EHADHO CC(C)CCC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555612587 1040914589 /nfs/dbraw/zinc/91/45/89/1040914589.db2.gz VDPXJHGJACLCBB-NRFANRHFSA-N 1 3 344.543 3.941 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2CN(C)C)c1 ZINC000433231101 1041119458 /nfs/dbraw/zinc/11/94/58/1041119458.db2.gz IFXGWHYZVVVDJR-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000509825004 1041126687 /nfs/dbraw/zinc/12/66/87/1041126687.db2.gz CMQATYIBIPHAPO-AQTBWJFISA-N 1 3 330.516 3.946 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731680 1041307079 /nfs/dbraw/zinc/30/70/79/1041307079.db2.gz WCBMQXCHEMLMCZ-HRAATJIYSA-N 1 3 336.479 3.718 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731680 1041307091 /nfs/dbraw/zinc/30/70/91/1041307091.db2.gz WCBMQXCHEMLMCZ-HRAATJIYSA-N 1 3 336.479 3.718 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651753633 1041996695 /nfs/dbraw/zinc/99/66/95/1041996695.db2.gz ZENASJURFCODCC-XLIONFOSSA-N 1 3 341.499 3.756 20 0 EHADHO CC(C)[NH+]1CCN(CCCN2CC3(CCCC3)[C@@H]2c2ccco2)CC1 ZINC000661437288 1042122620 /nfs/dbraw/zinc/12/26/20/1042122620.db2.gz KIPVZQIIHMLUCZ-FQEVSTJZSA-N 1 3 345.531 3.613 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348574 1042409772 /nfs/dbraw/zinc/40/97/72/1042409772.db2.gz IRQPASUZQXYISI-LZBRWLDZSA-N 1 3 338.442 3.634 20 0 EHADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000652352367 1042411966 /nfs/dbraw/zinc/41/19/66/1042411966.db2.gz LKLNCYRSTBMXQR-AVRDEDQJSA-N 1 3 346.478 3.562 20 0 EHADHO c1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)cc1 ZINC000662254662 1042638457 /nfs/dbraw/zinc/63/84/57/1042638457.db2.gz RYUCOKJAHQVXIV-NRFANRHFSA-N 1 3 336.479 3.514 20 0 EHADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161569679 1042672259 /nfs/dbraw/zinc/67/22/59/1042672259.db2.gz GMCVJDBBDJPKLK-WMLDXEAASA-N 1 3 341.902 3.546 20 0 EHADHO CO[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000643467522 1042941314 /nfs/dbraw/zinc/94/13/14/1042941314.db2.gz PEQAQACQNBECSY-XIKOKIGWSA-N 1 3 333.863 3.540 20 0 EHADHO CCC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC)cc1 ZINC000432421556 1043156729 /nfs/dbraw/zinc/15/67/29/1043156729.db2.gz PTALCWNTEXFCHP-PXNSSMCTSA-N 1 3 334.504 3.627 20 0 EHADHO CCC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)cc1 ZINC000432421556 1043156732 /nfs/dbraw/zinc/15/67/32/1043156732.db2.gz PTALCWNTEXFCHP-PXNSSMCTSA-N 1 3 334.504 3.627 20 0 EHADHO c1ccc(C[N@H+]2CC[C@@H](CNCc3cccc4cccnc43)C2)cc1 ZINC000336792830 1126810215 /nfs/dbraw/zinc/81/02/15/1126810215.db2.gz UIIYIJOFMKELMV-IBGZPJMESA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3cccc4cccnc43)C2)cc1 ZINC000336792830 1126810217 /nfs/dbraw/zinc/81/02/17/1126810217.db2.gz UIIYIJOFMKELMV-IBGZPJMESA-N 1 3 331.463 3.847 20 0 EHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623369829 1126932114 /nfs/dbraw/zinc/93/21/14/1126932114.db2.gz SNEFUDKWWPRMLC-YJBOKZPZSA-N 1 3 331.504 3.634 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623860836 1127200225 /nfs/dbraw/zinc/20/02/25/1127200225.db2.gz GTEDQALLPPVYCN-ZIAGYGMSSA-N 1 3 337.305 3.892 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000623860836 1127200230 /nfs/dbraw/zinc/20/02/30/1127200230.db2.gz GTEDQALLPPVYCN-ZIAGYGMSSA-N 1 3 337.305 3.892 20 0 EHADHO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000623896177 1127208845 /nfs/dbraw/zinc/20/88/45/1127208845.db2.gz LDRSCLXTBODUAP-GHTZIAJQSA-N 1 3 330.516 3.845 20 0 EHADHO Cc1cnn(CCCCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185762369 1127431326 /nfs/dbraw/zinc/43/13/26/1127431326.db2.gz AVDUKIWJQYGMNH-OALUTQOASA-N 1 3 332.536 3.604 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383441207 1127543079 /nfs/dbraw/zinc/54/30/79/1127543079.db2.gz DSIAVLYVYPLZQR-CRAIPNDOSA-N 1 3 330.422 3.965 20 0 EHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000031237739 1127831557 /nfs/dbraw/zinc/83/15/57/1127831557.db2.gz HLJDQZVVRISRPP-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921625361 1127894283 /nfs/dbraw/zinc/89/42/83/1127894283.db2.gz SJIXQBFJJZHHQM-SFHVURJKSA-N 1 3 325.456 3.695 20 0 EHADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CCCN3CCCC[C@H]3C)CCO2)cc1 ZINC001168591327 1128179578 /nfs/dbraw/zinc/17/95/78/1128179578.db2.gz USBNQUUBTQQJRS-LMNJBCLMSA-N 1 3 346.515 3.769 20 0 EHADHO Clc1ccc2nc(CNCCCCC[NH+]3CCCCC3)cn2c1 ZINC001649106696 1128268086 /nfs/dbraw/zinc/26/80/86/1128268086.db2.gz MOYAQCOQRFFNJN-UHFFFAOYSA-N 1 3 334.895 3.734 20 0 EHADHO Clc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)o1 ZINC000069749897 1128291539 /nfs/dbraw/zinc/29/15/39/1128291539.db2.gz CNKXYXMLRFDUMN-UHFFFAOYSA-N 1 3 347.890 3.625 20 0 EHADHO Clc1ccc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000069749897 1128291540 /nfs/dbraw/zinc/29/15/40/1128291540.db2.gz CNKXYXMLRFDUMN-UHFFFAOYSA-N 1 3 347.890 3.625 20 0 EHADHO Cc1cc(C)cc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000110435413 1128786448 /nfs/dbraw/zinc/78/64/48/1128786448.db2.gz AVLFQISKSZXESP-OALUTQOASA-N 1 3 330.516 3.625 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000542482738 1120565107 /nfs/dbraw/zinc/56/51/07/1120565107.db2.gz AEMJDNHETCIULM-OPNZPCBVSA-N 1 3 342.527 3.692 20 0 EHADHO Cc1cccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000191509334 1120676243 /nfs/dbraw/zinc/67/62/43/1120676243.db2.gz OLPKAGXRUCIKHY-JOCHJYFZSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000191509334 1120676245 /nfs/dbraw/zinc/67/62/45/1120676245.db2.gz OLPKAGXRUCIKHY-JOCHJYFZSA-N 1 3 343.559 3.856 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000191565856 1120678475 /nfs/dbraw/zinc/67/84/75/1120678475.db2.gz YRUWHZOXKDEFSD-HXUWFJFHSA-N 1 3 349.538 3.919 20 0 EHADHO Cc1cc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C)nn1 ZINC000929840075 1120930144 /nfs/dbraw/zinc/93/01/44/1120930144.db2.gz BEMUQKQCKKNHQO-KRWDZBQOSA-N 1 3 330.520 3.570 20 0 EHADHO Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)nn1 ZINC000929840075 1120930147 /nfs/dbraw/zinc/93/01/47/1120930147.db2.gz BEMUQKQCKKNHQO-KRWDZBQOSA-N 1 3 330.520 3.570 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)C1 ZINC000655788737 1123588374 /nfs/dbraw/zinc/58/83/74/1123588374.db2.gz NKCCOWMNMZZNTI-MBPVOVBZSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](C3CC3)[C@@H]3CCCCO3)CC2)C1 ZINC000655788737 1123588379 /nfs/dbraw/zinc/58/83/79/1123588379.db2.gz NKCCOWMNMZZNTI-MBPVOVBZSA-N 1 3 334.548 3.967 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847398 1124557863 /nfs/dbraw/zinc/55/78/63/1124557863.db2.gz CKFMTBGBPVIMCC-VDGAXYAQSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847398 1124557891 /nfs/dbraw/zinc/55/78/91/1124557891.db2.gz CKFMTBGBPVIMCC-VDGAXYAQSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)[C@@H](C)C1 ZINC000246847398 1124557894 /nfs/dbraw/zinc/55/78/94/1124557894.db2.gz CKFMTBGBPVIMCC-VDGAXYAQSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000246987926 1124575378 /nfs/dbraw/zinc/57/53/78/1124575378.db2.gz KAFGOUYVVOJJRW-XJKCOSOUSA-N 1 3 337.305 3.929 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000246987926 1124575382 /nfs/dbraw/zinc/57/53/82/1124575382.db2.gz KAFGOUYVVOJJRW-XJKCOSOUSA-N 1 3 337.305 3.929 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000246987926 1124575392 /nfs/dbraw/zinc/57/53/92/1124575392.db2.gz KAFGOUYVVOJJRW-XJKCOSOUSA-N 1 3 337.305 3.929 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)[C@@H](C)C1 ZINC000247188395 1124593741 /nfs/dbraw/zinc/59/37/41/1124593741.db2.gz ZTFNJHSVMSPTGB-HNAYVOBHSA-N 1 3 343.446 3.833 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000248043601 1124636443 /nfs/dbraw/zinc/63/64/43/1124636443.db2.gz UKBRVKOQKHEFGH-FHWLQOOXSA-N 1 3 349.588 3.841 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000248043601 1124636446 /nfs/dbraw/zinc/63/64/46/1124636446.db2.gz UKBRVKOQKHEFGH-FHWLQOOXSA-N 1 3 349.588 3.841 20 0 EHADHO FC(F)OCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000249292691 1124750724 /nfs/dbraw/zinc/75/07/24/1124750724.db2.gz QETUBKAVKGNJSB-FGTMMUONSA-N 1 3 338.442 3.506 20 0 EHADHO CCOCCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182178201 1125200589 /nfs/dbraw/zinc/20/05/89/1125200589.db2.gz ZBEDEWQFMKJUBZ-KRWDZBQOSA-N 1 3 334.504 3.758 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1CN1CCCCC1 ZINC000182704640 1125356432 /nfs/dbraw/zinc/35/64/32/1125356432.db2.gz NOAPBVKNAUICEH-QGZVFWFLSA-N 1 3 346.515 3.758 20 0 EHADHO FC(F)(F)[C@@H]1CC[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000922675517 1129624051 /nfs/dbraw/zinc/62/40/51/1129624051.db2.gz DJVZLMBDFJNZPZ-IRXDYDNUSA-N 1 3 348.453 3.873 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ncc[nH]1 ZINC000286212367 1130627834 /nfs/dbraw/zinc/62/78/34/1130627834.db2.gz SAZMLFCDNJYWDG-CQSZACIVSA-N 1 3 332.879 3.626 20 0 EHADHO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000347935603 1131092901 /nfs/dbraw/zinc/09/29/01/1131092901.db2.gz QARFDXMVTWIQJN-DOMZBBRYSA-N 1 3 346.441 3.587 20 0 EHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CC2 ZINC001172832116 1131855569 /nfs/dbraw/zinc/85/55/69/1131855569.db2.gz QLZMGEVPPXMEEY-QHCPKHFHSA-N 1 3 349.522 3.749 20 0 EHADHO CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001169120191 1132663205 /nfs/dbraw/zinc/66/32/05/1132663205.db2.gz ZGWBUAFIBXBXLS-QDMKHBRRSA-N 1 3 342.405 3.819 20 0 EHADHO COC(=O)c1ccc([C@H]2CCCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160671 1132683114 /nfs/dbraw/zinc/68/31/14/1132683114.db2.gz KFWWOJYOXMZEAS-FUMNGEBKSA-N 1 3 342.483 3.625 20 0 EHADHO COC(=O)c1ccc([C@H]2CCCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160671 1132683119 /nfs/dbraw/zinc/68/31/19/1132683119.db2.gz KFWWOJYOXMZEAS-FUMNGEBKSA-N 1 3 342.483 3.625 20 0 EHADHO CC[NH+]1CCC(N[C@@H](CC2CCOCC2)c2cccc(F)c2)CC1 ZINC001169240482 1132708026 /nfs/dbraw/zinc/70/80/26/1132708026.db2.gz JIAIBAJHRFODLO-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO COC(=O)c1coc([C@H](C)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000774215592 1133640147 /nfs/dbraw/zinc/64/01/47/1133640147.db2.gz ARBRDJZZBXAUFJ-OOHWJJMZSA-N 1 3 334.460 3.514 20 0 EHADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H](C)CCCC(C)C)CC2)C1 ZINC001170090157 1134176998 /nfs/dbraw/zinc/17/69/98/1134176998.db2.gz HPQQFLHSWJAQGI-ROUUACIJSA-N 1 3 338.536 3.551 20 0 EHADHO COC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H](C)CCCC(C)C)CC2)C1 ZINC001170090157 1134177000 /nfs/dbraw/zinc/17/70/00/1134177000.db2.gz HPQQFLHSWJAQGI-ROUUACIJSA-N 1 3 338.536 3.551 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCCC2)cc1CN1CCCCC1 ZINC000775389844 1134703328 /nfs/dbraw/zinc/70/33/28/1134703328.db2.gz HWGXXPFVXIWKRR-KRWDZBQOSA-N 1 3 346.515 3.637 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cc1CN1CCCCC1 ZINC000775390446 1134705781 /nfs/dbraw/zinc/70/57/81/1134705781.db2.gz NHNCWMRFHWGCLK-UTKZUKDTSA-N 1 3 346.515 3.758 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1CN1CCCCC1 ZINC000775414318 1134757211 /nfs/dbraw/zinc/75/72/11/1134757211.db2.gz GJPYWODIJCLEJJ-NSISKUIASA-N 1 3 346.515 3.635 20 0 EHADHO Cc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)c(C)cc1Br ZINC001205591164 1134992645 /nfs/dbraw/zinc/99/26/45/1134992645.db2.gz FXSQWTSNAHFQNI-INIZCTEOSA-N 1 3 343.284 3.719 20 0 EHADHO COc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1OC ZINC000809738737 1135883109 /nfs/dbraw/zinc/88/31/09/1135883109.db2.gz HBRHGVFSRQBQRC-UHFFFAOYSA-N 1 3 342.483 3.706 20 0 EHADHO CC[C@@H](C)Oc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1OC ZINC001199414232 1135904894 /nfs/dbraw/zinc/90/48/94/1135904894.db2.gz VQUZVORRZBVDMB-MRXNPFEDSA-N 1 3 346.515 3.837 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000817905157 1136845213 /nfs/dbraw/zinc/84/52/13/1136845213.db2.gz JXJIUWLDOJNUMH-DXBBTUNJSA-N 1 3 338.495 3.774 20 0 EHADHO CC[C@H](C)c1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000818339900 1136871858 /nfs/dbraw/zinc/87/18/58/1136871858.db2.gz FXCABCIWUWMLPF-DLBZAZTESA-N 1 3 343.515 3.603 20 0 EHADHO CC(C)COc1ccc(-c2ccc(N[C@@H](N)CCC[NH3+])cc2)cc1 ZINC001170902505 1136877516 /nfs/dbraw/zinc/87/75/16/1136877516.db2.gz DXJRSXIZQDEWFY-HXUWFJFHSA-N 1 3 327.472 3.824 20 0 EHADHO CCCCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819042620 1136901559 /nfs/dbraw/zinc/90/15/59/1136901559.db2.gz KKIBJPDMEMQZPO-KRWDZBQOSA-N 1 3 345.314 3.881 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819078553 1136911436 /nfs/dbraw/zinc/91/14/36/1136911436.db2.gz JQDBCPVDTACUEL-IIBYNOLFSA-N 1 3 342.458 3.674 20 0 EHADHO CCc1nc(C(C)C)ccc1CN1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000339009968 1136928182 /nfs/dbraw/zinc/92/81/82/1136928182.db2.gz MESJCSNFTPBSIN-IBGZPJMESA-N 1 3 347.547 3.700 20 0 EHADHO CC(=O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC001170939417 1136964601 /nfs/dbraw/zinc/96/46/01/1136964601.db2.gz VAFBMGRANNSAKQ-NRFANRHFSA-N 1 3 328.500 3.732 20 0 EHADHO CC(=O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC001170939417 1136964602 /nfs/dbraw/zinc/96/46/02/1136964602.db2.gz VAFBMGRANNSAKQ-NRFANRHFSA-N 1 3 328.500 3.732 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170968293 1137032879 /nfs/dbraw/zinc/03/28/79/1137032879.db2.gz CODNODDXGHJSJY-VQIMIIECSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170968293 1137032881 /nfs/dbraw/zinc/03/28/81/1137032881.db2.gz CODNODDXGHJSJY-VQIMIIECSA-N 1 3 326.459 3.780 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772904825 1137231131 /nfs/dbraw/zinc/23/11/31/1137231131.db2.gz RHCCUYMPHUQRSH-QRWLVFNGSA-N 1 3 337.467 3.697 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772904825 1137231132 /nfs/dbraw/zinc/23/11/32/1137231132.db2.gz RHCCUYMPHUQRSH-QRWLVFNGSA-N 1 3 337.467 3.697 20 0 EHADHO Cc1ccc2c(c1)[C@H](NCC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000339070544 1137241703 /nfs/dbraw/zinc/24/17/03/1137241703.db2.gz ZOFMRJXIEZNXPW-HXUWFJFHSA-N 1 3 328.500 3.607 20 0 EHADHO c1cc2ccc(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186159 1137250947 /nfs/dbraw/zinc/25/09/47/1137250947.db2.gz QUQZXFJLLWPMDJ-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1cc2ccc(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)nc2[nH]1 ZINC001144186159 1137250949 /nfs/dbraw/zinc/25/09/49/1137250949.db2.gz QUQZXFJLLWPMDJ-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCO1 ZINC000865661628 1137302533 /nfs/dbraw/zinc/30/25/33/1137302533.db2.gz VOAHIHOLTDJNQK-CWJKEVGVSA-N 1 3 330.516 3.549 20 0 EHADHO Cc1ccnc(CNC2CCC(C)([NH+](C)C)CC2)c1Br ZINC000865764933 1137309855 /nfs/dbraw/zinc/30/98/55/1137309855.db2.gz SAVXNWNLPBAMCE-UHFFFAOYSA-N 1 3 340.309 3.505 20 0 EHADHO C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000866256633 1137340045 /nfs/dbraw/zinc/34/00/45/1137340045.db2.gz AUKXCIYYBSBITK-UGKGYDQZSA-N 1 3 337.511 3.557 20 0 EHADHO CCn1ccnc1[C@@H](C)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866468853 1137357267 /nfs/dbraw/zinc/35/72/67/1137357267.db2.gz DYTGGNMTFCBBIL-GOSISDBHSA-N 1 3 340.515 3.856 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866563549 1137364876 /nfs/dbraw/zinc/36/48/76/1137364876.db2.gz NHXXIXAOGWLPPH-GREBRCKQSA-N 1 3 349.522 3.673 20 0 EHADHO CC1(C)CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716712759 1137488491 /nfs/dbraw/zinc/48/84/91/1137488491.db2.gz NGHPZMYWMHVVSF-MUGJNUQGSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962189 1137519720 /nfs/dbraw/zinc/51/97/20/1137519720.db2.gz BUHZPGLDYBMPIC-UYAOXDASSA-N 1 3 329.532 3.504 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001172099347 1137532595 /nfs/dbraw/zinc/53/25/95/1137532595.db2.gz JMEZCUUNCGFRQT-ZSOGYDGISA-N 1 3 341.268 3.693 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069729 1137534854 /nfs/dbraw/zinc/53/48/54/1137534854.db2.gz UCWCWPAHGOOGPF-PLSULTGPSA-N 1 3 341.543 3.597 20 0 EHADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069729 1137534855 /nfs/dbraw/zinc/53/48/55/1137534855.db2.gz UCWCWPAHGOOGPF-PLSULTGPSA-N 1 3 341.543 3.597 20 0 EHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001172332522 1137551374 /nfs/dbraw/zinc/55/13/74/1137551374.db2.gz IJRNHKXBITUCKS-MSOLQXFVSA-N 1 3 348.531 3.625 20 0 EHADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000873223421 1137594293 /nfs/dbraw/zinc/59/42/93/1137594293.db2.gz MQULJTUQYXRJEA-OAQYLSRUSA-N 1 3 338.499 3.528 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000873274594 1137596068 /nfs/dbraw/zinc/59/60/68/1137596068.db2.gz FBFJIAVPWZUQTM-KKSFZXQISA-N 1 3 338.499 3.696 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(-c2ccccc2)o1 ZINC000873291330 1137596709 /nfs/dbraw/zinc/59/67/09/1137596709.db2.gz JTWDZLJMUIPJOZ-WMZOPIPTSA-N 1 3 340.467 3.756 20 0 EHADHO C[NH+]1CCC2(CCCN(Cc3cccc(OC4CC4)c3F)C2)CC1 ZINC000825762693 1137627781 /nfs/dbraw/zinc/62/77/81/1137627781.db2.gz QDIRDXHCIIPGCX-UHFFFAOYSA-N 1 3 332.463 3.675 20 0 EHADHO C[C@H]1C[C@H](CCNCc2ccc(Cl)nn2)C[N@@H+]1Cc1ccccc1 ZINC000877119864 1137670664 /nfs/dbraw/zinc/67/06/64/1137670664.db2.gz BSPYYARBUWVNIU-RDJZCZTQSA-N 1 3 344.890 3.520 20 0 EHADHO C[C@H]1C[C@H](CCNCc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119864 1137670665 /nfs/dbraw/zinc/67/06/65/1137670665.db2.gz BSPYYARBUWVNIU-RDJZCZTQSA-N 1 3 344.890 3.520 20 0 EHADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652912 1137723835 /nfs/dbraw/zinc/72/38/35/1137723835.db2.gz VVWRENFBFRJENS-NJYVYQBISA-N 1 3 328.500 3.715 20 0 EHADHO C[N@H+]1CCC[C@]2(CCN(C[C@H]3CCC[C@H](c4ccccc4)O3)C2)C1 ZINC000878652912 1137723836 /nfs/dbraw/zinc/72/38/36/1137723836.db2.gz VVWRENFBFRJENS-NJYVYQBISA-N 1 3 328.500 3.715 20 0 EHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202722468 1137953506 /nfs/dbraw/zinc/95/35/06/1137953506.db2.gz SWUCZPUCAVAUPX-QGZVFWFLSA-N 1 3 334.529 3.604 20 0 EHADHO Cc1cccc(CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000886609116 1138101408 /nfs/dbraw/zinc/10/14/08/1138101408.db2.gz MJVWJBDGDFBNTQ-PMVMPFDFSA-N 1 3 349.522 3.965 20 0 EHADHO C[C@@H](O)[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1F ZINC000886631951 1138103870 /nfs/dbraw/zinc/10/38/70/1138103870.db2.gz ZSIHMXRRGXYORF-GGYOGLCLSA-N 1 3 334.479 3.634 20 0 EHADHO CCC1(N2CCC2)CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000886709417 1138121278 /nfs/dbraw/zinc/12/12/78/1138121278.db2.gz QGEAKJUEVROKEU-UHFFFAOYSA-N 1 3 330.516 3.586 20 0 EHADHO COc1cc(F)cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090972250 1138214661 /nfs/dbraw/zinc/21/46/61/1138214661.db2.gz YKSSSGSQUOMPTC-HNNXBMFYSA-N 1 3 346.446 3.626 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000092739559 1138231469 /nfs/dbraw/zinc/23/14/69/1138231469.db2.gz VMDDOLYMLQXVAJ-QGZVFWFLSA-N 1 3 327.472 3.653 20 0 EHADHO COCc1cc([C@H](C)NCc2cccc(C[NH+](C)C)c2)ccc1OC ZINC000123681908 1138273335 /nfs/dbraw/zinc/27/33/35/1138273335.db2.gz BMTXOWHSFXEKRG-INIZCTEOSA-N 1 3 342.483 3.754 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1NC(C)=O ZINC000125966235 1138320003 /nfs/dbraw/zinc/32/00/03/1138320003.db2.gz AIGGZWMNRBGLGQ-KUHUBIRLSA-N 1 3 349.519 3.671 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337486278 1138583393 /nfs/dbraw/zinc/58/33/93/1138583393.db2.gz SRHUMYIPEWBRPK-KURKYZTESA-N 1 3 348.535 3.538 20 0 EHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000132999452 1138615304 /nfs/dbraw/zinc/61/53/04/1138615304.db2.gz FCBRJSRGEQCMAK-KBPBESRZSA-N 1 3 340.870 3.631 20 0 EHADHO CC1CC[NH+](C2CCC(NCc3nc4c(s3)CCC4)CC2)CC1 ZINC000093109985 1138788018 /nfs/dbraw/zinc/78/80/18/1138788018.db2.gz PYTPISDAEVEMAT-UHFFFAOYSA-N 1 3 333.545 3.765 20 0 EHADHO C[C@H](N[C@@H]1CCCc2occc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000152237307 1139080328 /nfs/dbraw/zinc/08/03/28/1139080328.db2.gz BENMWSGBPBIEHE-HNAYVOBHSA-N 1 3 328.456 3.948 20 0 EHADHO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000177351638 1139614527 /nfs/dbraw/zinc/61/45/27/1139614527.db2.gz KXRHNAWSMKEIDR-ROUUACIJSA-N 1 3 338.495 3.991 20 0 EHADHO C[C@H]([NH2+]CCCOCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185744075 1140168012 /nfs/dbraw/zinc/16/80/12/1140168012.db2.gz HRGNDFMYODXMCA-AZUAARDMSA-N 1 3 330.516 3.836 20 0 EHADHO CCOc1ccccc1[C@H](CC)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192786695 1140550123 /nfs/dbraw/zinc/55/01/23/1140550123.db2.gz RDKHEJMABLKWAU-FQEVSTJZSA-N 1 3 347.547 3.542 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000195446534 1140639182 /nfs/dbraw/zinc/63/91/82/1140639182.db2.gz GCYNQMCBHDIEGE-OALUTQOASA-N 1 3 336.907 3.506 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CCN1Cc1ccccc1 ZINC000268731653 1140978202 /nfs/dbraw/zinc/97/82/02/1140978202.db2.gz UGLQERDBYIAOEL-HOJAQTOUSA-N 1 3 341.499 3.525 20 0 EHADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000268754307 1140983885 /nfs/dbraw/zinc/98/38/85/1140983885.db2.gz IXPPRSFIJFPYBW-GOSISDBHSA-N 1 3 334.504 3.865 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771969 1140988367 /nfs/dbraw/zinc/98/83/67/1140988367.db2.gz FIHLTWSQMQWHSJ-STZQEDGTSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771969 1140988371 /nfs/dbraw/zinc/98/83/71/1140988371.db2.gz FIHLTWSQMQWHSJ-STZQEDGTSA-N 1 3 338.495 3.671 20 0 EHADHO CCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268883351 1141016010 /nfs/dbraw/zinc/01/60/10/1141016010.db2.gz FPBAZPSZRRTTFM-UGKGYDQZSA-N 1 3 343.559 3.894 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268888948 1141018359 /nfs/dbraw/zinc/01/83/59/1141018359.db2.gz ZLHMWOXBZHQSHP-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268888948 1141018368 /nfs/dbraw/zinc/01/83/68/1141018368.db2.gz ZLHMWOXBZHQSHP-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO Cc1cc(C)c([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C ZINC000271528955 1141388776 /nfs/dbraw/zinc/38/87/76/1141388776.db2.gz QPTFKXAOEPMIOV-YYWHXJBOSA-N 1 3 330.516 3.640 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Br)cc1 ZINC000049856233 214033744 /nfs/dbraw/zinc/03/37/44/214033744.db2.gz GWGSOGFGHKLCLT-CZUORRHYSA-N 1 3 325.294 3.974 20 0 EHADHO c1ccc2c(c1)cncc2CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904473517 1032069761 /nfs/dbraw/zinc/06/97/61/1032069761.db2.gz JCMCPZNHDUYFGV-UNMCSNQZSA-N 1 3 345.446 3.580 20 0 EHADHO Cc1cccc([C@@H]2CCCN2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000093444978 1016341374 /nfs/dbraw/zinc/34/13/74/1016341374.db2.gz FXEAOTCVFTXLLV-NRFANRHFSA-N 1 3 339.483 3.668 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)C1 ZINC000659286262 1016440275 /nfs/dbraw/zinc/44/02/75/1016440275.db2.gz VYIPTCUHPLHXMB-MRXNPFEDSA-N 1 3 341.499 3.519 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)C1 ZINC000659286262 1016440284 /nfs/dbraw/zinc/44/02/84/1016440284.db2.gz VYIPTCUHPLHXMB-MRXNPFEDSA-N 1 3 341.499 3.519 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615856 1032174489 /nfs/dbraw/zinc/17/44/89/1032174489.db2.gz BIVDTYGUSFRWMQ-AVRDEDQJSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379615856 1032174502 /nfs/dbraw/zinc/17/45/02/1032174502.db2.gz BIVDTYGUSFRWMQ-AVRDEDQJSA-N 1 3 338.495 3.976 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)[C@H](C)O1 ZINC000449130454 1032223486 /nfs/dbraw/zinc/22/34/86/1032223486.db2.gz ZCGIAPFFTNYBRM-VCBZYWHSSA-N 1 3 336.907 3.708 20 0 EHADHO CCc1noc(C)c1CN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000536737339 1032234247 /nfs/dbraw/zinc/23/42/47/1032234247.db2.gz BMOPNWVSNKRRSF-UHFFFAOYSA-N 1 3 333.520 3.879 20 0 EHADHO CCc1noc(C)c1CN1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000536737339 1032234259 /nfs/dbraw/zinc/23/42/59/1032234259.db2.gz BMOPNWVSNKRRSF-UHFFFAOYSA-N 1 3 333.520 3.879 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000536844148 1032338845 /nfs/dbraw/zinc/33/88/45/1032338845.db2.gz HFQPRUPGSRBDBH-XUVXKRRUSA-N 1 3 348.918 3.685 20 0 EHADHO C[C@@H]([NH2+]Cc1cc2cccnc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449223153 1032340631 /nfs/dbraw/zinc/34/06/31/1032340631.db2.gz FBYPICILOPIDBZ-VQIMIIECSA-N 1 3 335.451 3.828 20 0 EHADHO Cc1cccc([C@@H](O)CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000905123457 1032352920 /nfs/dbraw/zinc/35/29/20/1032352920.db2.gz YPMVJSLUGVSOQL-GCJKJVERSA-N 1 3 338.495 3.844 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1(C)C ZINC000449305337 1032424787 /nfs/dbraw/zinc/42/47/87/1032424787.db2.gz RZOXLJGGFALSIJ-HKUYNNGSSA-N 1 3 349.950 3.592 20 0 EHADHO Cc1cc(Br)c(CNCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459783454 1032467117 /nfs/dbraw/zinc/46/71/17/1032467117.db2.gz NEZHFMOATHPKFQ-GFCCVEGCSA-N 1 3 331.323 3.641 20 0 EHADHO Cc1cc(Br)c(CNCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459783454 1032467123 /nfs/dbraw/zinc/46/71/23/1032467123.db2.gz NEZHFMOATHPKFQ-GFCCVEGCSA-N 1 3 331.323 3.641 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)c2ccccn2)CC1 ZINC000449398762 1032521699 /nfs/dbraw/zinc/52/16/99/1032521699.db2.gz WNQKWBBWGLTTBI-HKUYNNGSSA-N 1 3 329.532 3.992 20 0 EHADHO CC(C)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccnc1 ZINC000091319337 1032684675 /nfs/dbraw/zinc/68/46/75/1032684675.db2.gz RVZLASGANOEIBR-OAQYLSRUSA-N 1 3 341.499 3.899 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccnc1 ZINC000091319391 1032684946 /nfs/dbraw/zinc/68/49/46/1032684946.db2.gz IEOWEWMSPHJOIE-RBBKRZOGSA-N 1 3 337.511 3.933 20 0 EHADHO Cc1ccc([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000091343540 1032686698 /nfs/dbraw/zinc/68/66/98/1032686698.db2.gz ZMVLQZDJJIWJJM-UWJYYQICSA-N 1 3 328.500 3.537 20 0 EHADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000415076856 1017508362 /nfs/dbraw/zinc/50/83/62/1017508362.db2.gz BNXUJFPRTBAKEV-JSGCOSHPSA-N 1 3 343.334 3.661 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000472753986 1017718115 /nfs/dbraw/zinc/71/81/15/1017718115.db2.gz QXOQHCXVISRFTI-UHFFFAOYSA-N 1 3 343.559 3.705 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000472753986 1017718120 /nfs/dbraw/zinc/71/81/20/1017718120.db2.gz QXOQHCXVISRFTI-UHFFFAOYSA-N 1 3 343.559 3.705 20 0 EHADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767211 /nfs/dbraw/zinc/76/72/11/1032767211.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 1 3 340.515 3.747 20 0 EHADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767229 /nfs/dbraw/zinc/76/72/29/1032767229.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 1 3 340.515 3.747 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767247 /nfs/dbraw/zinc/76/72/47/1032767247.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 1 3 340.515 3.747 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072989 1032767265 /nfs/dbraw/zinc/76/72/65/1032767265.db2.gz AEOSOBANOHKICP-LJQANCHMSA-N 1 3 340.515 3.747 20 0 EHADHO CC[NH+]1CCC(N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000449550987 1032772173 /nfs/dbraw/zinc/77/21/73/1032772173.db2.gz FCOROLNGQMNJCM-KRWDZBQOSA-N 1 3 344.421 3.857 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168279755 1032810433 /nfs/dbraw/zinc/81/04/33/1032810433.db2.gz KWUWLAHYJPPVTG-PMACEKPBSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168279755 1032810447 /nfs/dbraw/zinc/81/04/47/1032810447.db2.gz KWUWLAHYJPPVTG-PMACEKPBSA-N 1 3 328.500 3.503 20 0 EHADHO COc1ccc2c(c1)C[C@@H](N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001168279755 1032810457 /nfs/dbraw/zinc/81/04/57/1032810457.db2.gz KWUWLAHYJPPVTG-PMACEKPBSA-N 1 3 328.500 3.503 20 0 EHADHO Cc1noc(C)c1CNCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544025 1019809312 /nfs/dbraw/zinc/80/93/12/1019809312.db2.gz CBEQFWGGKICVKF-BEFAXECRSA-N 1 3 327.472 3.682 20 0 EHADHO Cc1noc(C)c1CNCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544025 1019809328 /nfs/dbraw/zinc/80/93/28/1019809328.db2.gz CBEQFWGGKICVKF-BEFAXECRSA-N 1 3 327.472 3.682 20 0 EHADHO Cc1noc(C)c1CNCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513544026 1019810035 /nfs/dbraw/zinc/81/00/35/1019810035.db2.gz CBEQFWGGKICVKF-DNVCBOLYSA-N 1 3 327.472 3.682 20 0 EHADHO Cc1noc(C)c1CNCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513544026 1019810054 /nfs/dbraw/zinc/81/00/54/1019810054.db2.gz CBEQFWGGKICVKF-DNVCBOLYSA-N 1 3 327.472 3.682 20 0 EHADHO Cc1ccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1C ZINC000501134206 1020726017 /nfs/dbraw/zinc/72/60/17/1020726017.db2.gz YDBGSJRSIKIXCR-QFIPXVFZSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1ccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1C ZINC000501134206 1020726028 /nfs/dbraw/zinc/72/60/28/1020726028.db2.gz YDBGSJRSIKIXCR-QFIPXVFZSA-N 1 3 343.559 3.856 20 0 EHADHO Brc1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091284524 1020823664 /nfs/dbraw/zinc/82/36/64/1020823664.db2.gz MQUDPTRDNUSGPH-SJKOYZFVSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000091284524 1020823674 /nfs/dbraw/zinc/82/36/74/1020823674.db2.gz MQUDPTRDNUSGPH-SJKOYZFVSA-N 1 3 335.289 3.510 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N1[C@H](C)CC[C@H]1C ZINC000342402258 1021277974 /nfs/dbraw/zinc/27/79/74/1021277974.db2.gz CVYAJXWCRVRMRQ-ZACQAIPSSA-N 1 3 343.515 3.523 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N1[C@H](C)CC[C@H]1C ZINC000342402258 1021277983 /nfs/dbraw/zinc/27/79/83/1021277983.db2.gz CVYAJXWCRVRMRQ-ZACQAIPSSA-N 1 3 343.515 3.523 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000516814813 1021749431 /nfs/dbraw/zinc/74/94/31/1021749431.db2.gz HRXTTYZRPMEFAS-KRWDZBQOSA-N 1 3 349.950 3.624 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564939 1021952146 /nfs/dbraw/zinc/95/21/46/1021952146.db2.gz BEAZIWDIVBXWJB-GOEBONIOSA-N 1 3 344.421 3.932 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000437564939 1021952154 /nfs/dbraw/zinc/95/21/54/1021952154.db2.gz BEAZIWDIVBXWJB-GOEBONIOSA-N 1 3 344.421 3.932 20 0 EHADHO CSc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000441171619 1022031967 /nfs/dbraw/zinc/03/19/67/1022031967.db2.gz GLGMCKGEKYRXGE-UHFFFAOYSA-N 1 3 334.529 3.595 20 0 EHADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(F)cc(Br)c1 ZINC000425941674 1022325178 /nfs/dbraw/zinc/32/51/78/1022325178.db2.gz KBCWQEFXVANGAT-ABAIWWIYSA-N 1 3 331.273 3.827 20 0 EHADHO C[C@H]1C[C@H](N(C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833605 1022748463 /nfs/dbraw/zinc/74/84/63/1022748463.db2.gz RBDRXMJNZRYMGW-PKOBYXMFSA-N 1 3 346.515 3.703 20 0 EHADHO C[C@H]1C[C@H](N(C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833605 1022748473 /nfs/dbraw/zinc/74/84/73/1022748473.db2.gz RBDRXMJNZRYMGW-PKOBYXMFSA-N 1 3 346.515 3.703 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341679045 1022968252 /nfs/dbraw/zinc/96/82/52/1022968252.db2.gz AAVDLMGTRYVKLH-GQIGUUNPSA-N 1 3 334.479 3.682 20 0 EHADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000657879007 1033170530 /nfs/dbraw/zinc/17/05/30/1033170530.db2.gz MVFFVSSAZRNQIN-FQEVSTJZSA-N 1 3 328.500 3.864 20 0 EHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)C1 ZINC000367084913 1024013781 /nfs/dbraw/zinc/01/37/81/1024013781.db2.gz COMBNPCVUFAUEU-RLLQIKCJSA-N 1 3 334.548 3.968 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000514086971 1024119880 /nfs/dbraw/zinc/11/98/80/1024119880.db2.gz DXBYNNAGJWLTKX-JYJNAYRXSA-N 1 3 328.378 3.548 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000514086971 1024119888 /nfs/dbraw/zinc/11/98/88/1024119888.db2.gz DXBYNNAGJWLTKX-JYJNAYRXSA-N 1 3 328.378 3.548 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000514086971 1024119893 /nfs/dbraw/zinc/11/98/93/1024119893.db2.gz DXBYNNAGJWLTKX-JYJNAYRXSA-N 1 3 328.378 3.548 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N(C)C)c1 ZINC000514220939 1024231944 /nfs/dbraw/zinc/23/19/44/1024231944.db2.gz DDSDIFARDLUCDE-PGRDOPGGSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N(C)C)c1 ZINC000514220939 1024231963 /nfs/dbraw/zinc/23/19/63/1024231963.db2.gz DDSDIFARDLUCDE-PGRDOPGGSA-N 1 3 337.511 3.753 20 0 EHADHO Cc1csc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000648417901 1024350912 /nfs/dbraw/zinc/35/09/12/1024350912.db2.gz VBWBFMTYHIJXFV-QGZVFWFLSA-N 1 3 343.540 3.679 20 0 EHADHO C[C@@H]1C[C@@H](NCCO[C@H]2CCCCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168028525 1024499514 /nfs/dbraw/zinc/49/95/14/1024499514.db2.gz PEGMIWMOWACOBM-YHELAOLJSA-N 1 3 346.515 3.561 20 0 EHADHO C[C@@H]1C[C@@H](NCCO[C@H]2CCCCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028525 1024499516 /nfs/dbraw/zinc/49/95/16/1024499516.db2.gz PEGMIWMOWACOBM-YHELAOLJSA-N 1 3 346.515 3.561 20 0 EHADHO C[NH+](C)CCOc1ccccc1CNCc1cc2ccncc2s1 ZINC000657337235 1025271855 /nfs/dbraw/zinc/27/18/55/1025271855.db2.gz NIKJTBKOOGLVLE-UHFFFAOYSA-N 1 3 341.480 3.527 20 0 EHADHO COc1ccc2c(c1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167960153 1025325584 /nfs/dbraw/zinc/32/55/84/1025325584.db2.gz WODRYASFHJOIBN-UDEWTMQYSA-N 1 3 340.511 3.548 20 0 EHADHO C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CCCN(C2CCC2)C1 ZINC000192637801 1025478223 /nfs/dbraw/zinc/47/82/23/1025478223.db2.gz OZXPSLYPYZQSPD-FXAWDEMLSA-N 1 3 342.527 3.797 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000436246181 1025493871 /nfs/dbraw/zinc/49/38/71/1025493871.db2.gz YAKKMCBCPNBTSM-UGESXGAOSA-N 1 3 344.543 3.877 20 0 EHADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000530221983 1025494964 /nfs/dbraw/zinc/49/49/64/1025494964.db2.gz QDKPNYLEKNNDAT-LBPRGKRZSA-N 1 3 340.446 3.671 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240288 1025530995 /nfs/dbraw/zinc/53/09/95/1025530995.db2.gz KBLJRLSYKBHCFW-VQIMIIECSA-N 1 3 338.442 3.506 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc3ccncc3s2)[C@H](C)C1 ZINC000657364450 1025545394 /nfs/dbraw/zinc/54/53/94/1025545394.db2.gz VQPCGMUICGTJNM-QAPCUYQASA-N 1 3 347.528 3.523 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCc2cc3ccncc3s2)[C@H](C)C1 ZINC000657364450 1025545405 /nfs/dbraw/zinc/54/54/05/1025545405.db2.gz VQPCGMUICGTJNM-QAPCUYQASA-N 1 3 347.528 3.523 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000347229234 1025696473 /nfs/dbraw/zinc/69/64/73/1025696473.db2.gz KPMRKFRJCQTKTH-BBWFWOEESA-N 1 3 331.504 3.728 20 0 EHADHO Cc1ccc2nccc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000302228736 1027098962 /nfs/dbraw/zinc/09/89/62/1027098962.db2.gz QYTDWVDFDKXYQK-LJQANCHMSA-N 1 3 347.462 3.722 20 0 EHADHO Cc1ccc2nccc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000302228736 1027098979 /nfs/dbraw/zinc/09/89/79/1027098979.db2.gz QYTDWVDFDKXYQK-LJQANCHMSA-N 1 3 347.462 3.722 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803658 1027126669 /nfs/dbraw/zinc/12/66/69/1027126669.db2.gz RKGFPDOHODCZTE-AEFFLSMTSA-N 1 3 332.488 3.619 20 0 EHADHO FC1(F)CCC[C@@H](CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000420309029 1027456509 /nfs/dbraw/zinc/45/65/09/1027456509.db2.gz LCNBIOYJVQEPKL-SJLPKXTDSA-N 1 3 337.458 3.851 20 0 EHADHO Fc1ccc(-c2c[nH]c([C@H]3CCCN3CC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313715 1027459853 /nfs/dbraw/zinc/45/98/53/1027459853.db2.gz JIJSMHGAXRQLEB-DNVCBOLYSA-N 1 3 342.462 3.742 20 0 EHADHO CC[N@H+](C[C@@H](CN)c1ccc(OC)cc1)[C@H](C)c1cccc(OC)c1 ZINC000420317091 1027463999 /nfs/dbraw/zinc/46/39/99/1027463999.db2.gz NBEWTEVNCGEQLK-VQIMIIECSA-N 1 3 342.483 3.829 20 0 EHADHO CC[N@@H+](C[C@@H](CN)c1ccc(OC)cc1)[C@H](C)c1cccc(OC)c1 ZINC000420317091 1027464013 /nfs/dbraw/zinc/46/40/13/1027464013.db2.gz NBEWTEVNCGEQLK-VQIMIIECSA-N 1 3 342.483 3.829 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000420324986 1027479070 /nfs/dbraw/zinc/47/90/70/1027479070.db2.gz VWWCGQOWTKRGMJ-NQIIRXRSSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000420324986 1027479078 /nfs/dbraw/zinc/47/90/78/1027479078.db2.gz VWWCGQOWTKRGMJ-NQIIRXRSSA-N 1 3 340.467 3.583 20 0 EHADHO Clc1cccc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000420373553 1027497087 /nfs/dbraw/zinc/49/70/87/1027497087.db2.gz MMIVWXDMZALKSG-HNAYVOBHSA-N 1 3 329.875 3.804 20 0 EHADHO Clc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612248 1027626241 /nfs/dbraw/zinc/62/62/41/1027626241.db2.gz KJEDTSMCOCTLQL-UHFFFAOYSA-N 1 3 329.875 3.737 20 0 EHADHO CC(C)(C)c1csc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422737155 1027881838 /nfs/dbraw/zinc/88/18/38/1027881838.db2.gz HQKGBEUROVGAIY-HRCADAONSA-N 1 3 335.561 3.884 20 0 EHADHO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422802377 1027954278 /nfs/dbraw/zinc/95/42/78/1027954278.db2.gz BGRUUNZXLLAIMR-HBGVWJBISA-N 1 3 339.483 3.728 20 0 EHADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422811850 1027959230 /nfs/dbraw/zinc/95/92/30/1027959230.db2.gz PROGHWLVSGTSDD-SFTDATJTSA-N 1 3 346.478 3.568 20 0 EHADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000422811848 1027959547 /nfs/dbraw/zinc/95/95/47/1027959547.db2.gz PROGHWLVSGTSDD-NHCUHLMSSA-N 1 3 346.478 3.568 20 0 EHADHO CO[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000422792771 1027965926 /nfs/dbraw/zinc/96/59/26/1027965926.db2.gz WKWGMSVOSKBAQD-KPZWWZAWSA-N 1 3 333.863 3.540 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825130 1027967631 /nfs/dbraw/zinc/96/76/31/1027967631.db2.gz JAPNEPXHVLXADT-MBDNFAEBSA-N 1 3 341.543 3.642 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825128 1027967948 /nfs/dbraw/zinc/96/79/48/1027967948.db2.gz JAPNEPXHVLXADT-CBPXPLCBSA-N 1 3 341.543 3.642 20 0 EHADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422839867 1027982207 /nfs/dbraw/zinc/98/22/07/1027982207.db2.gz AKPOGUQAIQDFMM-MORSLUCNSA-N 1 3 330.472 3.911 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422847660 1027988212 /nfs/dbraw/zinc/98/82/12/1027988212.db2.gz IQMXRYCDPRLADX-IACUBPJLSA-N 1 3 329.410 3.868 20 0 EHADHO Cc1ccccc1C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422878974 1028013988 /nfs/dbraw/zinc/01/39/88/1028013988.db2.gz LPDAGVOPEVTABZ-SFTDATJTSA-N 1 3 336.479 3.778 20 0 EHADHO Cc1sc(CC[NH2+][C@H](C)[C@H]2CCCCN2)nc1-c1ccccc1 ZINC000422927961 1028058632 /nfs/dbraw/zinc/05/86/32/1028058632.db2.gz HYDBJOVRDQCMIN-RHSMWYFYSA-N 1 3 329.513 3.781 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1OC ZINC000502268872 1028066192 /nfs/dbraw/zinc/06/61/92/1028066192.db2.gz NPKAYFSQRVFUBM-QZTJIDSGSA-N 1 3 348.531 3.797 20 0 EHADHO CCOc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422943645 1028084044 /nfs/dbraw/zinc/08/40/44/1028084044.db2.gz QUZGWTHLWIYMGW-UONOGXRCSA-N 1 3 343.471 3.668 20 0 EHADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423026557 1028135161 /nfs/dbraw/zinc/13/51/61/1028135161.db2.gz QGJQUIPIKDQVEL-MYGLTJDJSA-N 1 3 342.527 3.934 20 0 EHADHO COc1ccc(C[C@H](C)CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000423026630 1028136062 /nfs/dbraw/zinc/13/60/62/1028136062.db2.gz QKFSWMNQLJIRAL-ZOCIIQOWSA-N 1 3 340.467 3.617 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)CC3 ZINC000423040172 1028146113 /nfs/dbraw/zinc/14/61/13/1028146113.db2.gz GTFCJJFSCBKKOV-HOCLYGCPSA-N 1 3 348.494 3.847 20 0 EHADHO FC(F)(F)c1ccnc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423136503 1028220398 /nfs/dbraw/zinc/22/03/98/1028220398.db2.gz PGXHXTZERMNNDC-IXDOHACOSA-N 1 3 341.421 3.543 20 0 EHADHO C[C@H]([NH3+])CCN[C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423224147 1028290959 /nfs/dbraw/zinc/29/09/59/1028290959.db2.gz IJNPKCRRUFGJHI-BFVZDQMLSA-N 1 3 329.307 3.559 20 0 EHADHO C[NH+](C)C1CCC(NCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000421369565 1028324837 /nfs/dbraw/zinc/32/48/37/1028324837.db2.gz IBRPMDPEVJBXHX-UHFFFAOYSA-N 1 3 333.476 3.912 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1NC(C)=O ZINC000423296400 1028351994 /nfs/dbraw/zinc/35/19/94/1028351994.db2.gz ZBUNAMFIVKEHOF-UONOGXRCSA-N 1 3 341.455 3.524 20 0 EHADHO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2(N)CCC2)CCC3)cc1 ZINC000423329268 1028368075 /nfs/dbraw/zinc/36/80/75/1028368075.db2.gz ONXOBMRIYIGSPB-OAHLLOKOSA-N 1 3 327.497 3.967 20 0 EHADHO Fc1cc(Br)ccc1[C@H](NCC1=CC[NH2+]CC1)C1CC1 ZINC000423357028 1028385039 /nfs/dbraw/zinc/38/50/39/1028385039.db2.gz RRUHJMGXADMQHE-MRXNPFEDSA-N 1 3 339.252 3.549 20 0 EHADHO O[C@H](C[C@H]1CCCN1CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000161979653 1028402379 /nfs/dbraw/zinc/40/23/79/1028402379.db2.gz MBZQWFAKEAPMGT-WOJBJXKFSA-N 1 3 334.479 3.590 20 0 EHADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423409609 1028424443 /nfs/dbraw/zinc/42/44/43/1028424443.db2.gz YWNQXYNLMWVFKD-ZAZJYDDPSA-N 1 3 331.287 3.737 20 0 EHADHO C[C@H](CCC[NH3+])N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423464969 1028453509 /nfs/dbraw/zinc/45/35/09/1028453509.db2.gz WERJWVVYKLCSOR-WBMJQRKESA-N 1 3 337.261 3.849 20 0 EHADHO COc1ccc(OC)c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423506812 1028473121 /nfs/dbraw/zinc/47/31/21/1028473121.db2.gz PMNXQPDQJHMMDS-HNAYVOBHSA-N 1 3 328.456 3.835 20 0 EHADHO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000195132689 1028582557 /nfs/dbraw/zinc/58/25/57/1028582557.db2.gz XWWUWBXZNOUXJS-PKOBYXMFSA-N 1 3 326.488 3.637 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310234 1028775164 /nfs/dbraw/zinc/77/51/64/1028775164.db2.gz VIRVZZMITLEQJK-FGZHOGPDSA-N 1 3 335.495 3.611 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CCc4cccnc4)CC[C@H]32)cc1 ZINC000247310234 1028775181 /nfs/dbraw/zinc/77/51/81/1028775181.db2.gz VIRVZZMITLEQJK-FGZHOGPDSA-N 1 3 335.495 3.611 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245652550 1028976523 /nfs/dbraw/zinc/97/65/23/1028976523.db2.gz CWBMFXOCBOUGNR-LDLYASANSA-N 1 3 344.499 3.503 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652550 1028976537 /nfs/dbraw/zinc/97/65/37/1028976537.db2.gz CWBMFXOCBOUGNR-LDLYASANSA-N 1 3 344.499 3.503 20 0 EHADHO c1cc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790081 1029083766 /nfs/dbraw/zinc/08/37/66/1029083766.db2.gz ZKSARAGHQNEKQU-KGLIPLIRSA-N 1 3 333.526 3.693 20 0 EHADHO Cc1nc(COc2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2)cs1 ZINC000414790460 1029086073 /nfs/dbraw/zinc/08/60/73/1029086073.db2.gz AFDDGUDTSAUSRO-APWZRJJASA-N 1 3 345.512 3.638 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245723862 1029140665 /nfs/dbraw/zinc/14/06/65/1029140665.db2.gz IJPBUYPVZVHLFC-IFXJQAMLSA-N 1 3 344.478 3.543 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245723862 1029140670 /nfs/dbraw/zinc/14/06/70/1029140670.db2.gz IJPBUYPVZVHLFC-IFXJQAMLSA-N 1 3 344.478 3.543 20 0 EHADHO Cc1nc2ccccc2n1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000162226772 1029514587 /nfs/dbraw/zinc/51/45/87/1029514587.db2.gz WJELFRDKNISYRX-UHFFFAOYSA-N 1 3 340.515 3.731 20 0 EHADHO Cc1nc2ccccc2n1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000162226772 1029514599 /nfs/dbraw/zinc/51/45/99/1029514599.db2.gz WJELFRDKNISYRX-UHFFFAOYSA-N 1 3 340.515 3.731 20 0 EHADHO FC(F)(F)c1ccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262000905 1029548149 /nfs/dbraw/zinc/54/81/49/1029548149.db2.gz UBZAVEOYEUXRNU-AWEZNQCLSA-N 1 3 326.406 3.884 20 0 EHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000447044874 1029905266 /nfs/dbraw/zinc/90/52/66/1029905266.db2.gz PYVYIMGRHNFWKC-ZDUSSCGKSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453276731 1030013316 /nfs/dbraw/zinc/01/33/16/1030013316.db2.gz MXXLEQLLEQGZGJ-ZHHKINOHSA-N 1 3 344.543 3.675 20 0 EHADHO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453275401 1030059036 /nfs/dbraw/zinc/05/90/36/1030059036.db2.gz LTKMFSJQQKAJES-PCCBWWKXSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948489 1030115995 /nfs/dbraw/zinc/11/59/95/1030115995.db2.gz UTTBMWYVBIYMDL-JTDSTZFVSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948489 1030116010 /nfs/dbraw/zinc/11/60/10/1030116010.db2.gz UTTBMWYVBIYMDL-JTDSTZFVSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CCN1C ZINC000531948489 1030116019 /nfs/dbraw/zinc/11/60/19/1030116019.db2.gz UTTBMWYVBIYMDL-JTDSTZFVSA-N 1 3 335.923 3.549 20 0 EHADHO CCC[C@@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000090522376 1030133514 /nfs/dbraw/zinc/13/35/14/1030133514.db2.gz GOUXJIPJKZIVIA-NJYVYQBISA-N 1 3 330.516 3.885 20 0 EHADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000090937018 1030198882 /nfs/dbraw/zinc/19/88/82/1030198882.db2.gz UIWUWHGRTIPKAO-GOSISDBHSA-N 1 3 347.890 3.916 20 0 EHADHO C[NH+](C)CCOc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000525981259 1030302200 /nfs/dbraw/zinc/30/22/00/1030302200.db2.gz PPVUJOXURQTJID-UHFFFAOYSA-N 1 3 334.410 3.854 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1[C@H](C)CC[C@H]1C ZINC000092139711 1030389230 /nfs/dbraw/zinc/38/92/30/1030389230.db2.gz YBFRATSNZANDHJ-KURKYZTESA-N 1 3 343.515 3.525 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1cccc2Br ZINC000650757166 1030786760 /nfs/dbraw/zinc/78/67/60/1030786760.db2.gz QCTVBWMUNKZQEM-GOSISDBHSA-N 1 3 345.284 3.946 20 0 EHADHO CCOc1cccc(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)n1 ZINC000536140841 1030888694 /nfs/dbraw/zinc/88/86/94/1030888694.db2.gz NMAWYGWUAFTZOP-UHFFFAOYSA-N 1 3 345.531 3.814 20 0 EHADHO CCOc1cccc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)n1 ZINC000536140841 1030888713 /nfs/dbraw/zinc/88/87/13/1030888713.db2.gz NMAWYGWUAFTZOP-UHFFFAOYSA-N 1 3 345.531 3.814 20 0 EHADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000551063343 1031001165 /nfs/dbraw/zinc/00/11/65/1031001165.db2.gz PGHPIWJODSDBCE-HXUWFJFHSA-N 1 3 344.499 3.921 20 0 EHADHO Cc1ccccc1[C@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483268807 1031076603 /nfs/dbraw/zinc/07/66/03/1031076603.db2.gz LODKKJOYQGQOBU-OTWHNJEPSA-N 1 3 330.516 3.877 20 0 EHADHO Fc1cccc(OC(F)(F)F)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000551235960 1031152165 /nfs/dbraw/zinc/15/21/65/1031152165.db2.gz CEVPSTDGWAPIOQ-UHFFFAOYSA-N 1 3 346.368 3.688 20 0 EHADHO COCCC1CCN(C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000527931608 1031493243 /nfs/dbraw/zinc/49/32/43/1031493243.db2.gz BWODLVJZUYNKBC-LJQANCHMSA-N 1 3 344.543 3.831 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657919977 1033651638 /nfs/dbraw/zinc/65/16/38/1033651638.db2.gz SPMNKPPRSXGFOJ-RBSFLKMASA-N 1 3 341.446 3.559 20 0 EHADHO CC[N@H+]1C[C@H](N[C@H](C)c2ccc(Oc3cccnc3)cc2)[C@@H](C)C1 ZINC000489798237 1033684790 /nfs/dbraw/zinc/68/47/90/1033684790.db2.gz DXLPWYSFZRFKPB-YRNRMSPPSA-N 1 3 325.456 3.865 20 0 EHADHO CC[N@@H+]1C[C@H](N[C@H](C)c2ccc(Oc3cccnc3)cc2)[C@@H](C)C1 ZINC000489798237 1033684799 /nfs/dbraw/zinc/68/47/99/1033684799.db2.gz DXLPWYSFZRFKPB-YRNRMSPPSA-N 1 3 325.456 3.865 20 0 EHADHO c1ccc([C@@H](NCC2CC[NH+](CC3CC3)CC2)c2ccccn2)cc1 ZINC000658358059 1034237398 /nfs/dbraw/zinc/23/73/98/1034237398.db2.gz XYYBCBWJYLKQQA-JOCHJYFZSA-N 1 3 335.495 3.883 20 0 EHADHO CCc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000372353687 1034384216 /nfs/dbraw/zinc/38/42/16/1034384216.db2.gz HGMITDADOLXYKP-FUHWJXTLSA-N 1 3 343.540 3.748 20 0 EHADHO COc1cc2c(cc1CN1CCC(C[N@H+](C)C(C)C)CC1)O[C@@H](C)C2 ZINC000534346948 1034417098 /nfs/dbraw/zinc/41/70/98/1034417098.db2.gz CKKSFQRUOVMIDO-INIZCTEOSA-N 1 3 346.515 3.571 20 0 EHADHO COc1cc2c(cc1CN1CCC(C[N@@H+](C)C(C)C)CC1)O[C@@H](C)C2 ZINC000534346948 1034417106 /nfs/dbraw/zinc/41/71/06/1034417106.db2.gz CKKSFQRUOVMIDO-INIZCTEOSA-N 1 3 346.515 3.571 20 0 EHADHO C[NH+]1CCC2(CCCN(Cc3c(C4CC4)nc4sccn34)C2)CC1 ZINC000376001901 1035095580 /nfs/dbraw/zinc/09/55/80/1035095580.db2.gz XDELVCFNBFZLIM-UHFFFAOYSA-N 1 3 344.528 3.581 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136940 1035716764 /nfs/dbraw/zinc/71/67/64/1035716764.db2.gz JHBXMBMTYNIHNZ-UKAVVXHISA-N 1 3 342.527 3.549 20 0 EHADHO C[C@@H](c1ccccc1F)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709365 1035979072 /nfs/dbraw/zinc/97/90/72/1035979072.db2.gz AIAIUNYRZAIGDH-BBWFWOEESA-N 1 3 334.479 3.708 20 0 EHADHO C[C@@H](c1ccccc1F)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709365 1035979089 /nfs/dbraw/zinc/97/90/89/1035979089.db2.gz AIAIUNYRZAIGDH-BBWFWOEESA-N 1 3 334.479 3.708 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194679 1035996086 /nfs/dbraw/zinc/99/60/86/1035996086.db2.gz UONANMLIYUWZHM-UONOGXRCSA-N 1 3 334.895 3.609 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194679 1035996094 /nfs/dbraw/zinc/99/60/94/1035996094.db2.gz UONANMLIYUWZHM-UONOGXRCSA-N 1 3 334.895 3.609 20 0 EHADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000414211640 1036084359 /nfs/dbraw/zinc/08/43/59/1036084359.db2.gz VQSJAYFYUFUBIZ-MJUUVYJYSA-N 1 3 330.516 3.549 20 0 EHADHO Cc1cccc2nc(C3CC[NH+](CC[C@H]4CCCN4C)CC3)oc21 ZINC000189812679 1036149408 /nfs/dbraw/zinc/14/94/08/1036149408.db2.gz LHLPJLOYGWWWKZ-QGZVFWFLSA-N 1 3 327.472 3.800 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H](O)CCc2ccccc2)CC1 ZINC000542464290 1036292822 /nfs/dbraw/zinc/29/28/22/1036292822.db2.gz PLLRHWDEVAUTQZ-STZQEDGTSA-N 1 3 344.543 3.613 20 0 EHADHO c1cn(-c2ccccc2)c(CNCCCCC[NH+]2CCCCC2)n1 ZINC000191028200 1036330506 /nfs/dbraw/zinc/33/05/06/1036330506.db2.gz FMXKSRGJAPSPHT-UHFFFAOYSA-N 1 3 326.488 3.618 20 0 EHADHO CC1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782757371 1036367116 /nfs/dbraw/zinc/36/71/16/1036367116.db2.gz PBRYPLHPJXWZJE-OAQYLSRUSA-N 1 3 330.516 3.866 20 0 EHADHO CC1CC[NH+](CCCN[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782757371 1036367134 /nfs/dbraw/zinc/36/71/34/1036367134.db2.gz PBRYPLHPJXWZJE-OAQYLSRUSA-N 1 3 330.516 3.866 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@H](C)O1 ZINC000539408182 1036729804 /nfs/dbraw/zinc/72/98/04/1036729804.db2.gz GRGYORYPMCFJKK-ZMMAXQRCSA-N 1 3 344.499 3.520 20 0 EHADHO CN(CCCOc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840522 1036878639 /nfs/dbraw/zinc/87/86/39/1036878639.db2.gz VJJLVUXMLWWPFW-OAQYLSRUSA-N 1 3 338.495 3.909 20 0 EHADHO CN(CCCOc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840522 1036878668 /nfs/dbraw/zinc/87/86/68/1036878668.db2.gz VJJLVUXMLWWPFW-OAQYLSRUSA-N 1 3 338.495 3.909 20 0 EHADHO COCc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310895521 1036923597 /nfs/dbraw/zinc/92/35/97/1036923597.db2.gz AEQPVCQTCOVYNB-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310895521 1036923613 /nfs/dbraw/zinc/92/36/13/1036923613.db2.gz AEQPVCQTCOVYNB-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310895521 1036923628 /nfs/dbraw/zinc/92/36/28/1036923628.db2.gz AEQPVCQTCOVYNB-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO CCC1(CNCc2ccc(C)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000414361375 1036993840 /nfs/dbraw/zinc/99/38/40/1036993840.db2.gz CAWDLCSFDDQWEZ-UHFFFAOYSA-N 1 3 338.499 3.567 20 0 EHADHO C[C@H](N[C@@H]1CCCc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423214272 1037179365 /nfs/dbraw/zinc/17/93/65/1037179365.db2.gz LBAICRMNCYZQNQ-DXCKQFNASA-N 1 3 337.305 3.804 20 0 EHADHO Cc1ccc([C@H]2OCCC[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000532524821 1037550724 /nfs/dbraw/zinc/55/07/24/1037550724.db2.gz ZXQGANNOOKFKLD-LEWJYISDSA-N 1 3 328.500 3.679 20 0 EHADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000540160396 1037617418 /nfs/dbraw/zinc/61/74/18/1037617418.db2.gz DGGZDEVXKUCPJZ-YPAWHYETSA-N 1 3 342.527 3.885 20 0 EHADHO CC(C)CCN1CCC([NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000925273239 1037683376 /nfs/dbraw/zinc/68/33/76/1037683376.db2.gz XHNYXXOBVJOYFA-UYAOXDASSA-N 1 3 332.532 3.641 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H](C)CC[NH+](C)C)CC2 ZINC000493896098 1037715249 /nfs/dbraw/zinc/71/52/49/1037715249.db2.gz CURCJZPHIFMNPB-SWLSCSKDSA-N 1 3 325.294 3.675 20 0 EHADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752332 /nfs/dbraw/zinc/75/23/32/1037752332.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 1 3 342.531 3.789 20 0 EHADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752354 /nfs/dbraw/zinc/75/23/54/1037752354.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 1 3 342.531 3.789 20 0 EHADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752373 /nfs/dbraw/zinc/75/23/73/1037752373.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 1 3 342.531 3.789 20 0 EHADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463092232 1037752391 /nfs/dbraw/zinc/75/23/91/1037752391.db2.gz WMGPABDLRYJRTF-IBGZPJMESA-N 1 3 342.531 3.789 20 0 EHADHO FC(F)(F)c1ccccc1OCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000540362691 1037868299 /nfs/dbraw/zinc/86/82/99/1037868299.db2.gz NGBBMKADUHMVQG-UHFFFAOYSA-N 1 3 342.405 3.548 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397163 1037911618 /nfs/dbraw/zinc/91/16/18/1037911618.db2.gz IZJDYMBNHSJCSI-HOJAQTOUSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000540397163 1037911626 /nfs/dbraw/zinc/91/16/26/1037911626.db2.gz IZJDYMBNHSJCSI-HOJAQTOUSA-N 1 3 340.515 3.762 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000125110242 1038281275 /nfs/dbraw/zinc/28/12/75/1038281275.db2.gz IHFLPQOGVOLRKY-DCXXXQMHSA-N 1 3 329.532 3.530 20 0 EHADHO CCc1onc(C)c1CNCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000893226461 1038586976 /nfs/dbraw/zinc/58/69/76/1038586976.db2.gz RJZQZJLRGJYYCR-VQIMIIECSA-N 1 3 341.499 3.936 20 0 EHADHO CCc1onc(C)c1CNCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226461 1038586980 /nfs/dbraw/zinc/58/69/80/1038586980.db2.gz RJZQZJLRGJYYCR-VQIMIIECSA-N 1 3 341.499 3.936 20 0 EHADHO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552251354 1039130352 /nfs/dbraw/zinc/13/03/52/1039130352.db2.gz SYUVJONSQSXROF-PCCBWWKXSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222995 1039323975 /nfs/dbraw/zinc/32/39/75/1039323975.db2.gz IJWWEFZLZZKSCA-PGRDOPGGSA-N 1 3 349.522 3.679 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222995 1039323992 /nfs/dbraw/zinc/32/39/92/1039323992.db2.gz IJWWEFZLZZKSCA-PGRDOPGGSA-N 1 3 349.522 3.679 20 0 EHADHO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646189 1040304868 /nfs/dbraw/zinc/30/48/68/1040304868.db2.gz RNPIWVFZUNBUSR-ACJLOTCBSA-N 1 3 347.409 3.675 20 0 EHADHO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646189 1040304886 /nfs/dbraw/zinc/30/48/86/1040304886.db2.gz RNPIWVFZUNBUSR-ACJLOTCBSA-N 1 3 347.409 3.675 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@H](C)C2 ZINC000490121140 1040360975 /nfs/dbraw/zinc/36/09/75/1040360975.db2.gz ZAZMSIIAHZNZGH-VGSWGCGISA-N 1 3 338.495 3.959 20 0 EHADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512649932 1040395783 /nfs/dbraw/zinc/39/57/83/1040395783.db2.gz VPSYSIBHWDSMAQ-PWRODBHTSA-N 1 3 330.516 3.692 20 0 EHADHO c1ccc(C[N@H+]2CC[C@H](CNCc3ccc4ncccc4c3)C2)cc1 ZINC000310953693 1040437388 /nfs/dbraw/zinc/43/73/88/1040437388.db2.gz ZVVWYHMOLQJLQF-HXUWFJFHSA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@H](CNCc3ccc4ncccc4c3)C2)cc1 ZINC000310953693 1040437399 /nfs/dbraw/zinc/43/73/99/1040437399.db2.gz ZVVWYHMOLQJLQF-HXUWFJFHSA-N 1 3 331.463 3.847 20 0 EHADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000500123976 1040560209 /nfs/dbraw/zinc/56/02/09/1040560209.db2.gz MFWWKLYBHXJNJY-FQEVSTJZSA-N 1 3 331.548 3.712 20 0 EHADHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000500123976 1040560220 /nfs/dbraw/zinc/56/02/20/1040560220.db2.gz MFWWKLYBHXJNJY-FQEVSTJZSA-N 1 3 331.548 3.712 20 0 EHADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000667867037 1040714951 /nfs/dbraw/zinc/71/49/51/1040714951.db2.gz QGMSQLXRLQMIBT-SFTDATJTSA-N 1 3 328.500 3.720 20 0 EHADHO CC1(C)CC2(CC([NH2+]C3CCN(CC4CCCCC4)CC3)C2)CO1 ZINC000924857940 1040897180 /nfs/dbraw/zinc/89/71/80/1040897180.db2.gz WDZOXRAHMOLYEA-UHFFFAOYSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000571294258 1041258967 /nfs/dbraw/zinc/25/89/67/1041258967.db2.gz ICAFVNHJDSYTJO-QRVBRYPASA-N 1 3 330.516 3.611 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000164489798 1042288051 /nfs/dbraw/zinc/28/80/51/1042288051.db2.gz UUOBVVJEAYFUMR-KRWDZBQOSA-N 1 3 343.515 3.729 20 0 EHADHO c1ccc2c(c1)C=CC1(CC[NH+](CCCN3CCCCC3)CC1)O2 ZINC000662216295 1042610326 /nfs/dbraw/zinc/61/03/26/1042610326.db2.gz RWNSEPPJDLUKND-UHFFFAOYSA-N 1 3 326.484 3.803 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790233 1042894466 /nfs/dbraw/zinc/89/44/66/1042894466.db2.gz AYHCYRHTNKRWSC-ZIFCJYIRSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790233 1042894470 /nfs/dbraw/zinc/89/44/70/1042894470.db2.gz AYHCYRHTNKRWSC-ZIFCJYIRSA-N 1 3 339.483 3.794 20 0 EHADHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786132 1042975346 /nfs/dbraw/zinc/97/53/46/1042975346.db2.gz VWROXGHDTKGTDO-TVQRCGJNSA-N 1 3 335.225 3.815 20 0 EHADHO COc1cccc(OC)c1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000512050902 1043042708 /nfs/dbraw/zinc/04/27/08/1043042708.db2.gz FNEXWAYVELCSLE-UHFFFAOYSA-N 1 3 346.515 3.837 20 0 EHADHO CC[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccncc1 ZINC000344590319 1044153931 /nfs/dbraw/zinc/15/39/31/1044153931.db2.gz WSQJPPFZESAOIF-HXUWFJFHSA-N 1 3 327.472 3.653 20 0 EHADHO c1cc(CN(CCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432668590 1044658349 /nfs/dbraw/zinc/65/83/49/1044658349.db2.gz JSFFRUDXDKMDER-LJQANCHMSA-N 1 3 342.508 3.771 20 0 EHADHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282575278 1044762451 /nfs/dbraw/zinc/76/24/51/1044762451.db2.gz ZEHCBNUFMNOMCP-NRFANRHFSA-N 1 3 343.559 3.750 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000154321071 1125711169 /nfs/dbraw/zinc/71/11/69/1125711169.db2.gz WWOUKPWMWWSSNU-SFHVURJKSA-N 1 3 341.499 3.625 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000155058404 1125781078 /nfs/dbraw/zinc/78/10/78/1125781078.db2.gz SSWIPJQUCJBCAO-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000155058404 1125781083 /nfs/dbraw/zinc/78/10/83/1125781083.db2.gz SSWIPJQUCJBCAO-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO c1[nH]nc2cccc(CNCc3ccccc3C[NH+]3CCCCC3)c12 ZINC000623344036 1126923105 /nfs/dbraw/zinc/92/31/05/1126923105.db2.gz VEJWDNJIGJWCAU-UHFFFAOYSA-N 1 3 334.467 3.839 20 0 EHADHO C[N@@H+]1CC[C@@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338035 1126920265 /nfs/dbraw/zinc/92/02/65/1126920265.db2.gz HYCHREMETXFVPH-APWZRJJASA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1(C)C ZINC000623338035 1126920267 /nfs/dbraw/zinc/92/02/67/1126920267.db2.gz HYCHREMETXFVPH-APWZRJJASA-N 1 3 349.950 3.939 20 0 EHADHO CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1OC ZINC000623363145 1126930427 /nfs/dbraw/zinc/93/04/27/1126930427.db2.gz BSXXIJOBAVRXLH-AWEZNQCLSA-N 1 3 340.895 3.710 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC1(C)C ZINC000623387574 1126941413 /nfs/dbraw/zinc/94/14/13/1126941413.db2.gz JTEAQQVICDXUOB-QGZVFWFLSA-N 1 3 331.504 3.756 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623449293 1126958830 /nfs/dbraw/zinc/95/88/30/1126958830.db2.gz PSMXLMXRFGKDBB-QWFCFKBJSA-N 1 3 343.559 3.605 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000177107071 1126973984 /nfs/dbraw/zinc/97/39/84/1126973984.db2.gz BHGYRZBLAXIKEX-IYBDPMFKSA-N 1 3 332.513 3.880 20 0 EHADHO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185724842 1126994707 /nfs/dbraw/zinc/99/47/07/1126994707.db2.gz STQZZMKSLNHBFG-HKUYNNGSSA-N 1 3 341.499 3.570 20 0 EHADHO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccoc1 ZINC000178759126 1127029715 /nfs/dbraw/zinc/02/97/15/1127029715.db2.gz OOQHKWQVADTLRF-CABCVRRESA-N 1 3 331.435 3.582 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180083967 1127118750 /nfs/dbraw/zinc/11/87/50/1127118750.db2.gz YKOZIJOZRZVEJC-LJQANCHMSA-N 1 3 336.907 3.882 20 0 EHADHO CC[N@@H+](Cc1cccc2nccn21)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000180582017 1127174382 /nfs/dbraw/zinc/17/43/82/1127174382.db2.gz CGOPOXJGGWNJHL-FQEVSTJZSA-N 1 3 348.494 3.678 20 0 EHADHO CC[N@H+](Cc1cccc2nccn21)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000180582017 1127174384 /nfs/dbraw/zinc/17/43/84/1127174384.db2.gz CGOPOXJGGWNJHL-FQEVSTJZSA-N 1 3 348.494 3.678 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000623890064 1127211233 /nfs/dbraw/zinc/21/12/33/1127211233.db2.gz BCSHWXHMKIKIFU-KBPBESRZSA-N 1 3 325.294 3.750 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000623890064 1127211236 /nfs/dbraw/zinc/21/12/36/1127211236.db2.gz BCSHWXHMKIKIFU-KBPBESRZSA-N 1 3 325.294 3.750 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624121798 1127255669 /nfs/dbraw/zinc/25/56/69/1127255669.db2.gz DFAJYFUMVMKESU-KSSFIOAISA-N 1 3 331.460 3.552 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000624120903 1127255856 /nfs/dbraw/zinc/25/58/56/1127255856.db2.gz JSHKCJXBDIVCPG-UONOGXRCSA-N 1 3 330.394 3.968 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000183140909 1127364810 /nfs/dbraw/zinc/36/48/10/1127364810.db2.gz RZJWCFNEPGWLPX-RJGXRXQPSA-N 1 3 349.522 3.823 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1F ZINC000185288332 1127423445 /nfs/dbraw/zinc/42/34/45/1127423445.db2.gz GNTODUINTLKTBM-WMZOPIPTSA-N 1 3 336.495 3.723 20 0 EHADHO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000765254253 1127590179 /nfs/dbraw/zinc/59/01/79/1127590179.db2.gz YIEBBXDWHCVPRQ-IBGZPJMESA-N 1 3 332.536 3.685 20 0 EHADHO CN1CCCC[C@@H]1c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)nc1 ZINC001168545656 1127682903 /nfs/dbraw/zinc/68/29/03/1127682903.db2.gz YOJCIWFECLAEDT-PKOBYXMFSA-N 1 3 336.483 3.823 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000282239999 1128124259 /nfs/dbraw/zinc/12/42/59/1128124259.db2.gz JAKFQGFVERBKDF-KRWDZBQOSA-N 1 3 347.547 3.541 20 0 EHADHO CCCCN(C)CCC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168585320 1128125626 /nfs/dbraw/zinc/12/56/26/1128125626.db2.gz HNXLTKMOPPLJNC-QUCCMNQESA-N 1 3 334.504 3.627 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000069833349 1128292849 /nfs/dbraw/zinc/29/28/49/1128292849.db2.gz NQQXVLKIVMUPJX-GASCZTMLSA-N 1 3 348.874 3.832 20 0 EHADHO CC[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000542688555 1128537863 /nfs/dbraw/zinc/53/78/63/1128537863.db2.gz CZTPNYPRDQLRHQ-FQEVSTJZSA-N 1 3 343.559 3.530 20 0 EHADHO Cn1cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c2ccc(F)cc21 ZINC000186416250 1120459910 /nfs/dbraw/zinc/45/99/10/1120459910.db2.gz VOOAVFWCGDJUCO-UHFFFAOYSA-N 1 3 331.479 3.712 20 0 EHADHO Fc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)c(F)c1 ZINC000186859279 1120477345 /nfs/dbraw/zinc/47/73/45/1120477345.db2.gz LPBWNAFFINVBMJ-DLBZAZTESA-N 1 3 334.454 3.993 20 0 EHADHO Fc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c(F)c1 ZINC000186859279 1120477351 /nfs/dbraw/zinc/47/73/51/1120477351.db2.gz LPBWNAFFINVBMJ-DLBZAZTESA-N 1 3 334.454 3.993 20 0 EHADHO CC(C)C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192785233 1120748842 /nfs/dbraw/zinc/74/88/42/1120748842.db2.gz SAJPPCSIACITLN-OAQYLSRUSA-N 1 3 331.548 3.780 20 0 EHADHO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000494740339 1120755551 /nfs/dbraw/zinc/75/55/51/1120755551.db2.gz OYCDMYHMMGRLLL-YZKIPRNKSA-N 1 3 342.527 3.977 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc1CN1CCCCC1 ZINC000762650821 1121398623 /nfs/dbraw/zinc/39/86/23/1121398623.db2.gz SFYMGNJTGCSZPJ-UWVAXJGDSA-N 1 3 346.515 3.757 20 0 EHADHO Cc1cc(Br)cc(CN(C)CC2CC[NH+](C)CC2)c1F ZINC001235724307 1121670315 /nfs/dbraw/zinc/67/03/15/1121670315.db2.gz MYIWRYVZGYEACB-UHFFFAOYSA-N 1 3 343.284 3.670 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCSC4)[C@H]3C2)cc1 ZINC000393909428 1121670609 /nfs/dbraw/zinc/67/06/09/1121670609.db2.gz AOIJEKZMUSQAQU-FYQPLNBISA-N 1 3 330.541 3.630 20 0 EHADHO CC(C)CCN1CCC([NH2+]CCCc2nc3ccccc3n2C)CC1 ZINC000925444969 1122708550 /nfs/dbraw/zinc/70/85/50/1122708550.db2.gz ISQZWPMZFKRIKW-UHFFFAOYSA-N 1 3 342.531 3.606 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153866 1123253638 /nfs/dbraw/zinc/25/36/38/1123253638.db2.gz BACJHZAOQMQGBK-KJJMTIBFSA-N 1 3 348.490 3.775 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153866 1123253643 /nfs/dbraw/zinc/25/36/43/1123253643.db2.gz BACJHZAOQMQGBK-KJJMTIBFSA-N 1 3 348.490 3.775 20 0 EHADHO CCN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245775923 1123949555 /nfs/dbraw/zinc/94/95/55/1123949555.db2.gz YAZKPAPVRGQGPF-LRSLUSHPSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@H]1C[C@H](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)C1 ZINC000246211954 1124054939 /nfs/dbraw/zinc/05/49/39/1124054939.db2.gz KIELOYZWROOSLF-BQJUDKOJSA-N 1 3 335.580 3.551 20 0 EHADHO C[C@H]1C[C@H](CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)C1 ZINC000246211954 1124054943 /nfs/dbraw/zinc/05/49/43/1124054943.db2.gz KIELOYZWROOSLF-BQJUDKOJSA-N 1 3 335.580 3.551 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247220136 1124595723 /nfs/dbraw/zinc/59/57/23/1124595723.db2.gz WJCQPVPYWVHSLV-HOCLYGCPSA-N 1 3 344.421 3.756 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247943310 1124630731 /nfs/dbraw/zinc/63/07/31/1124630731.db2.gz GRBLICLRYSAJOJ-YYWHXJBOSA-N 1 3 330.516 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247943310 1124630732 /nfs/dbraw/zinc/63/07/32/1124630732.db2.gz GRBLICLRYSAJOJ-YYWHXJBOSA-N 1 3 330.516 3.791 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247946584 1124631120 /nfs/dbraw/zinc/63/11/20/1124631120.db2.gz HTYCQUPTQVAZAU-FRQCXROJSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247946584 1124631124 /nfs/dbraw/zinc/63/11/24/1124631124.db2.gz HTYCQUPTQVAZAU-FRQCXROJSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1Cl ZINC000247946584 1124631127 /nfs/dbraw/zinc/63/11/27/1124631127.db2.gz HTYCQUPTQVAZAU-FRQCXROJSA-N 1 3 337.939 3.795 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163565 1124644305 /nfs/dbraw/zinc/64/43/05/1124644305.db2.gz SNNMQXORANUXJW-QHAWAJNXSA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000248163565 1124644310 /nfs/dbraw/zinc/64/43/10/1124644310.db2.gz SNNMQXORANUXJW-QHAWAJNXSA-N 1 3 328.500 3.542 20 0 EHADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396024 1124656284 /nfs/dbraw/zinc/65/62/84/1124656284.db2.gz GRAURUWPANCTCH-ZHHKINOHSA-N 1 3 344.543 3.675 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000248399125 1124656949 /nfs/dbraw/zinc/65/69/49/1124656949.db2.gz JRFRNPMXERBVDI-PMVMPFDFSA-N 1 3 349.522 3.905 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000248406069 1124657874 /nfs/dbraw/zinc/65/78/74/1124657874.db2.gz RZJWCFNEPGWLPX-YTFSRNRJSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2ccncc2F)C[N@@H+]1Cc1ccccc1 ZINC000449206156 1124969495 /nfs/dbraw/zinc/96/94/95/1124969495.db2.gz AALOTFOWRRRFST-FUHWJXTLSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206156 1124969500 /nfs/dbraw/zinc/96/95/00/1124969500.db2.gz AALOTFOWRRRFST-FUHWJXTLSA-N 1 3 327.447 3.611 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)ccc1OC ZINC000182527561 1125325700 /nfs/dbraw/zinc/32/57/00/1125325700.db2.gz MJLRSSVWHBBWCW-SJORKVTESA-N 1 3 334.504 3.614 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)ccc1OC ZINC000183120112 1125447455 /nfs/dbraw/zinc/44/74/55/1125447455.db2.gz VMYKBCMHWLAUPX-HLIPFELVSA-N 1 3 348.531 3.739 20 0 EHADHO FC(F)(F)[C@H]1CC[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000922675515 1129624207 /nfs/dbraw/zinc/62/42/07/1129624207.db2.gz DJVZLMBDFJNZPZ-DLBZAZTESA-N 1 3 348.453 3.873 20 0 EHADHO C(N(C1CCC1)C1CCC1)C1(C[NH+](C2CCC2)C2CCC2)COC1 ZINC000429154276 1129879753 /nfs/dbraw/zinc/87/97/53/1129879753.db2.gz ZOGUPSMIGOLKRP-UHFFFAOYSA-N 1 3 332.532 3.817 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000347880816 1129972270 /nfs/dbraw/zinc/97/22/70/1129972270.db2.gz QXXVLXAXLOLAHG-ROUUACIJSA-N 1 3 340.515 3.953 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2ncc(Br)s2)CC1 ZINC001173110714 1131970634 /nfs/dbraw/zinc/97/06/34/1131970634.db2.gz SDFGWCLSRZNVNK-UHFFFAOYSA-N 1 3 346.338 3.648 20 0 EHADHO N[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001206212591 1132127152 /nfs/dbraw/zinc/12/71/52/1132127152.db2.gz SDECJORSPDJGCE-IAGOWNOFSA-N 1 3 333.838 3.663 20 0 EHADHO N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001206212591 1132127154 /nfs/dbraw/zinc/12/71/54/1132127154.db2.gz SDECJORSPDJGCE-IAGOWNOFSA-N 1 3 333.838 3.663 20 0 EHADHO c1ccc(CN2CCC=C(Nc3cc[nH+]c(N4CCCC4)c3)C2)cc1 ZINC001174394532 1132329055 /nfs/dbraw/zinc/32/90/55/1132329055.db2.gz JQBFXTNYQIAQQU-UHFFFAOYSA-N 1 3 334.467 3.884 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001169094957 1132653620 /nfs/dbraw/zinc/65/36/20/1132653620.db2.gz NZNUPRIXUZRWLP-MZADTFQBSA-N 1 3 334.463 3.632 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001169098575 1132654594 /nfs/dbraw/zinc/65/45/94/1132654594.db2.gz IPQKPFUVHZOTMN-MZADTFQBSA-N 1 3 336.479 3.980 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCCCC1)C2 ZINC001169089251 1132660553 /nfs/dbraw/zinc/66/05/53/1132660553.db2.gz ACMCARLCXBZRFY-OWZKRDHZSA-N 1 3 327.516 3.782 20 0 EHADHO C[C@H]1OC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc21 ZINC001169160801 1132682766 /nfs/dbraw/zinc/68/27/66/1132682766.db2.gz LKJYLVCRYDSWFH-BDXSIMOUSA-N 1 3 326.484 3.694 20 0 EHADHO C[C@H]1OC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160801 1132682770 /nfs/dbraw/zinc/68/27/70/1132682770.db2.gz LKJYLVCRYDSWFH-BDXSIMOUSA-N 1 3 326.484 3.694 20 0 EHADHO C[C@@H]1CN(Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004045 1132687969 /nfs/dbraw/zinc/68/79/69/1132687969.db2.gz PEELZLCRBYTXHZ-ZYHUDNBSSA-N 1 3 336.348 3.790 20 0 EHADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715552 1132741175 /nfs/dbraw/zinc/74/11/75/1132741175.db2.gz QESIXQLZVNNQAI-NVXWUHKLSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715552 1132741180 /nfs/dbraw/zinc/74/11/80/1132741180.db2.gz QESIXQLZVNNQAI-NVXWUHKLSA-N 1 3 338.923 3.609 20 0 EHADHO CCC1([NH+]2CCC2)CCN(C[C@@H](C)COCc2ccccc2)CC1 ZINC001176242893 1132885730 /nfs/dbraw/zinc/88/57/30/1132885730.db2.gz ICPLLXDBTIQKEP-LJQANCHMSA-N 1 3 330.516 3.790 20 0 EHADHO CCC1(N2CCC2)CC[NH+](C[C@@H](C)COCc2ccccc2)CC1 ZINC001176242893 1132885741 /nfs/dbraw/zinc/88/57/41/1132885741.db2.gz ICPLLXDBTIQKEP-LJQANCHMSA-N 1 3 330.516 3.790 20 0 EHADHO COC[C@@H](CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C(C)C ZINC001176567587 1132968336 /nfs/dbraw/zinc/96/83/36/1132968336.db2.gz OLYQIHDULBLOOX-HXUWFJFHSA-N 1 3 344.543 3.992 20 0 EHADHO COC[C@@H](C[NH+]1CCC(c2ccccc2)(N2CCCC2)CC1)C(C)C ZINC001176567587 1132968340 /nfs/dbraw/zinc/96/83/40/1132968340.db2.gz OLYQIHDULBLOOX-HXUWFJFHSA-N 1 3 344.543 3.992 20 0 EHADHO COC[C@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271085 1133352440 /nfs/dbraw/zinc/35/24/40/1133352440.db2.gz BKXHOENNRQSCDZ-RBBKRZOGSA-N 1 3 344.543 3.893 20 0 EHADHO COC[C@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271085 1133352447 /nfs/dbraw/zinc/35/24/47/1133352447.db2.gz BKXHOENNRQSCDZ-RBBKRZOGSA-N 1 3 344.543 3.893 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000774517814 1133703076 /nfs/dbraw/zinc/70/30/76/1133703076.db2.gz JNFMTHWQFRKALD-UHFFFAOYSA-N 1 3 327.472 3.800 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000774517814 1133703080 /nfs/dbraw/zinc/70/30/80/1133703080.db2.gz JNFMTHWQFRKALD-UHFFFAOYSA-N 1 3 327.472 3.800 20 0 EHADHO CO[C@@]1(C)C[C@H]1NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001183000266 1133756229 /nfs/dbraw/zinc/75/62/29/1133756229.db2.gz MCCODBZQGILCJL-HLAWJBBLSA-N 1 3 330.516 3.692 20 0 EHADHO CO[C@@]1(C)C[C@H]1NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183000266 1133756232 /nfs/dbraw/zinc/75/62/32/1133756232.db2.gz MCCODBZQGILCJL-HLAWJBBLSA-N 1 3 330.516 3.692 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1CN1CCCCC1 ZINC000775383117 1134694207 /nfs/dbraw/zinc/69/42/07/1134694207.db2.gz UZIRHUWELDKSEJ-PXNSSMCTSA-N 1 3 348.531 3.739 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)ccc1OC ZINC000775422336 1134771136 /nfs/dbraw/zinc/77/11/36/1134771136.db2.gz LUVZWHXHGRUISH-TXPKVOOTSA-N 1 3 334.504 3.755 20 0 EHADHO c1ccc(C[NH2+]C2CCN(CC3([C@@H]4CCCCO4)CCC3)CC2)cc1 ZINC001194525053 1135280816 /nfs/dbraw/zinc/28/08/16/1135280816.db2.gz IAPMVGGURANGSK-NRFANRHFSA-N 1 3 342.527 3.980 20 0 EHADHO Clc1cccc2c1CC[C@H]2N1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535647 1135437366 /nfs/dbraw/zinc/43/73/66/1135437366.db2.gz LIWUOURFWJKRAN-LJQANCHMSA-N 1 3 327.859 3.935 20 0 EHADHO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001199328629 1135898369 /nfs/dbraw/zinc/89/83/69/1135898369.db2.gz CCJIUHBAPUNLHR-DENIHFKCSA-N 1 3 343.559 3.883 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)ccc1OC ZINC000810260010 1135943952 /nfs/dbraw/zinc/94/39/52/1135943952.db2.gz ZTJGEGWMJIDDKQ-OXQOHEQNSA-N 1 3 348.531 3.739 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000105449301 1135947744 /nfs/dbraw/zinc/94/77/44/1135947744.db2.gz DWQJBMPBLMUQGB-UHFFFAOYSA-N 1 3 338.455 3.720 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000105449301 1135947748 /nfs/dbraw/zinc/94/77/48/1135947748.db2.gz DWQJBMPBLMUQGB-UHFFFAOYSA-N 1 3 338.455 3.720 20 0 EHADHO CCCCCN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201731734 1136061947 /nfs/dbraw/zinc/06/19/47/1136061947.db2.gz USUPQZCVMXVKLX-SFHVURJKSA-N 1 3 337.458 3.805 20 0 EHADHO CCCCCN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201731734 1136061951 /nfs/dbraw/zinc/06/19/51/1136061951.db2.gz USUPQZCVMXVKLX-SFHVURJKSA-N 1 3 337.458 3.805 20 0 EHADHO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(OC)c(CN(CC)CC)c2)C1 ZINC000850514721 1136275049 /nfs/dbraw/zinc/27/50/49/1136275049.db2.gz PNWGQKLLKQJAKE-ATZDWAIDSA-N 1 3 334.504 3.755 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)nc2)cc1 ZINC000817962366 1136852309 /nfs/dbraw/zinc/85/23/09/1136852309.db2.gz IJWPXJKBTZNOAB-NEPJUHHUSA-N 1 3 334.261 3.715 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101489 1136908575 /nfs/dbraw/zinc/90/85/75/1136908575.db2.gz VHNKOIKBONGGHF-LSBZLQRGSA-N 1 3 348.487 3.593 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2ccccc2F)[C@@H]1c1cccs1 ZINC000819101489 1136908578 /nfs/dbraw/zinc/90/85/78/1136908578.db2.gz VHNKOIKBONGGHF-LSBZLQRGSA-N 1 3 348.487 3.593 20 0 EHADHO Cc1ccccc1[C@H](O)CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000819078931 1136911415 /nfs/dbraw/zinc/91/14/15/1136911415.db2.gz OFVGTFDFFWSYHN-XMSQKQJNSA-N 1 3 338.495 3.844 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490201 1136972545 /nfs/dbraw/zinc/97/25/45/1136972545.db2.gz CVKXEJSTEWWDNW-NWDGAFQWSA-N 1 3 330.303 3.958 20 0 EHADHO Cc1c(O)cccc1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001144117557 1137240034 /nfs/dbraw/zinc/24/00/34/1137240034.db2.gz GSDLKIWPBBFSGQ-QFIPXVFZSA-N 1 3 336.479 3.799 20 0 EHADHO Cc1c(O)cccc1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001144117557 1137240036 /nfs/dbraw/zinc/24/00/36/1137240036.db2.gz GSDLKIWPBBFSGQ-QFIPXVFZSA-N 1 3 336.479 3.799 20 0 EHADHO CC(C)[NH+]1CCC(N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000866611854 1137369067 /nfs/dbraw/zinc/36/90/67/1137369067.db2.gz XTKPQLIWDGLOSJ-FGTMMUONSA-N 1 3 349.316 3.550 20 0 EHADHO CC[NH+](CC)CCCC1CCN(CC2(Br)CC2)CC1 ZINC000846850380 1137371807 /nfs/dbraw/zinc/37/18/07/1137371807.db2.gz LVOJZLFIJONSCQ-UHFFFAOYSA-N 1 3 331.342 3.748 20 0 EHADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1F ZINC000773029494 1137460408 /nfs/dbraw/zinc/46/04/08/1137460408.db2.gz JUEITHJHFYDLCF-AEFFLSMTSA-N 1 3 340.458 3.629 20 0 EHADHO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716629457 1137487858 /nfs/dbraw/zinc/48/78/58/1137487858.db2.gz YZLPSCPACALVTR-BZNRXQDOSA-N 1 3 335.495 3.655 20 0 EHADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1nccs1 ZINC000716701602 1137488719 /nfs/dbraw/zinc/48/87/19/1137488719.db2.gz SCALWDOGDDXUMJ-BVBHFADKSA-N 1 3 341.524 3.889 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(COc3cccnc3)CC2)CC1(C)C ZINC001171630778 1137499777 /nfs/dbraw/zinc/49/97/77/1137499777.db2.gz BIEARMHQAZSBGL-UHFFFAOYSA-N 1 3 345.531 3.824 20 0 EHADHO CCOC(=O)CCCCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171620634 1137500988 /nfs/dbraw/zinc/50/09/88/1137500988.db2.gz ARZVQQSWCVIEJN-UHFFFAOYSA-N 1 3 326.525 3.741 20 0 EHADHO C[C@H](CN)C[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171647634 1137501642 /nfs/dbraw/zinc/50/16/42/1137501642.db2.gz MGFIPOUNYLOZJZ-XEBKBJJBSA-N 1 3 325.294 3.660 20 0 EHADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(Cc3ccccn3)CC2)cc1 ZINC001171666758 1137502568 /nfs/dbraw/zinc/50/25/68/1137502568.db2.gz QGVQZQRSWTXASA-LJQANCHMSA-N 1 3 337.511 3.747 20 0 EHADHO CC1(C)C[C@@H]([NH2+]Cc2cnc3ccccn23)CCN1Cc1ccccc1 ZINC001171962476 1137519895 /nfs/dbraw/zinc/51/98/95/1137519895.db2.gz DRDOQLDUYSHOSV-IBGZPJMESA-N 1 3 348.494 3.867 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963924 1137520129 /nfs/dbraw/zinc/52/01/29/1137520129.db2.gz FVXVBDVKHXLWQM-SFHVURJKSA-N 1 3 346.515 3.751 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963924 1137520130 /nfs/dbraw/zinc/52/01/30/1137520130.db2.gz FVXVBDVKHXLWQM-SFHVURJKSA-N 1 3 346.515 3.751 20 0 EHADHO CC1(C)C[C@@H](NCCO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171977102 1137525363 /nfs/dbraw/zinc/52/53/63/1137525363.db2.gz XHNOSNDBOXGJPD-PMACEKPBSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@@H](NCCO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977102 1137525364 /nfs/dbraw/zinc/52/53/64/1137525364.db2.gz XHNOSNDBOXGJPD-PMACEKPBSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@H]3CCCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979183 1137526203 /nfs/dbraw/zinc/52/62/03/1137526203.db2.gz CUEIBEKDYPUFGL-HBMCJLEFSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@H]3CCCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979183 1137526205 /nfs/dbraw/zinc/52/62/05/1137526205.db2.gz CUEIBEKDYPUFGL-HBMCJLEFSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@H]3CCCO[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979187 1137526294 /nfs/dbraw/zinc/52/62/94/1137526294.db2.gz CUEIBEKDYPUFGL-PWRODBHTSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@H]3CCCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979187 1137526296 /nfs/dbraw/zinc/52/62/96/1137526296.db2.gz CUEIBEKDYPUFGL-PWRODBHTSA-N 1 3 342.527 3.931 20 0 EHADHO CCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984581 1137527369 /nfs/dbraw/zinc/52/73/69/1137527369.db2.gz NMILHXBNFBSMOY-OAQYLSRUSA-N 1 3 343.559 3.847 20 0 EHADHO CCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984581 1137527370 /nfs/dbraw/zinc/52/73/70/1137527370.db2.gz NMILHXBNFBSMOY-OAQYLSRUSA-N 1 3 343.559 3.847 20 0 EHADHO CCN1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172080329 1137531070 /nfs/dbraw/zinc/53/10/70/1137531070.db2.gz UARKUNLPUHODJH-KOUNCHBCSA-N 1 3 341.543 3.600 20 0 EHADHO CCN1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172080329 1137531072 /nfs/dbraw/zinc/53/10/72/1137531072.db2.gz UARKUNLPUHODJH-KOUNCHBCSA-N 1 3 341.543 3.600 20 0 EHADHO CO[C@H](C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172086574 1137532163 /nfs/dbraw/zinc/53/21/63/1137532163.db2.gz HLOVXRBHJWXIDX-RZXSNQJFSA-N 1 3 328.500 3.539 20 0 EHADHO CO[C@H](C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086574 1137532165 /nfs/dbraw/zinc/53/21/65/1137532165.db2.gz HLOVXRBHJWXIDX-RZXSNQJFSA-N 1 3 328.500 3.539 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172101891 1137532460 /nfs/dbraw/zinc/53/24/60/1137532460.db2.gz IBLXMCQETCPONZ-YSFYHYPLSA-N 1 3 341.543 3.504 20 0 EHADHO N[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001206156978 1137536825 /nfs/dbraw/zinc/53/68/25/1137536825.db2.gz UXWKVGJRRVWUFB-WOJBJXKFSA-N 1 3 328.431 3.527 20 0 EHADHO N[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1F ZINC001206156978 1137536826 /nfs/dbraw/zinc/53/68/26/1137536826.db2.gz UXWKVGJRRVWUFB-WOJBJXKFSA-N 1 3 328.431 3.527 20 0 EHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001172326833 1137547565 /nfs/dbraw/zinc/54/75/65/1137547565.db2.gz BHWMKBZTNWFTHH-ZWKOTPCHSA-N 1 3 348.531 3.625 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529938 1137679980 /nfs/dbraw/zinc/67/99/80/1137679980.db2.gz ABFXNWMHZZLQHK-QAPCUYQASA-N 1 3 347.503 3.806 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529938 1137679981 /nfs/dbraw/zinc/67/99/81/1137679981.db2.gz ABFXNWMHZZLQHK-QAPCUYQASA-N 1 3 347.503 3.806 20 0 EHADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652906 1137723826 /nfs/dbraw/zinc/72/38/26/1137723826.db2.gz VVWRENFBFRJENS-ACRUOGEOSA-N 1 3 328.500 3.715 20 0 EHADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652906 1137723827 /nfs/dbraw/zinc/72/38/27/1137723827.db2.gz VVWRENFBFRJENS-ACRUOGEOSA-N 1 3 328.500 3.715 20 0 EHADHO CC[NH+](CC)CCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000800204146 1137902573 /nfs/dbraw/zinc/90/25/73/1137902573.db2.gz AVYIBOARMCLYRG-UHFFFAOYSA-N 1 3 346.515 3.564 20 0 EHADHO Cc1cc2oc(=O)cc(CN3CCC(CC[NH+](C)C)CC3)c2cc1C ZINC000118868358 1137936023 /nfs/dbraw/zinc/93/60/23/1137936023.db2.gz CDVKSLJADJHETK-UHFFFAOYSA-N 1 3 342.483 3.574 20 0 EHADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000886493450 1138083113 /nfs/dbraw/zinc/08/31/13/1138083113.db2.gz MDYJLYSKJARAPT-HXUWFJFHSA-N 1 3 326.488 3.503 20 0 EHADHO COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886532220 1138091185 /nfs/dbraw/zinc/09/11/85/1138091185.db2.gz GFPSIOOZLFUCFA-FFGOWVMKSA-N 1 3 330.516 3.833 20 0 EHADHO Cc1cccc(CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000886609117 1138101421 /nfs/dbraw/zinc/10/14/21/1138101421.db2.gz MJVWJBDGDFBNTQ-WWNPGLIZSA-N 1 3 349.522 3.965 20 0 EHADHO CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCC1CC1 ZINC000886624869 1138103084 /nfs/dbraw/zinc/10/30/84/1138103084.db2.gz BUPXQMCMKRNFOG-HBMCJLEFSA-N 1 3 342.527 3.834 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092165872 1138225579 /nfs/dbraw/zinc/22/55/79/1138225579.db2.gz FEDISGYPPOLSBP-UHFFFAOYSA-N 1 3 340.471 3.575 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092165872 1138225581 /nfs/dbraw/zinc/22/55/81/1138225581.db2.gz FEDISGYPPOLSBP-UHFFFAOYSA-N 1 3 340.471 3.575 20 0 EHADHO COCc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000093006751 1138233314 /nfs/dbraw/zinc/23/33/14/1138233314.db2.gz NDRKGFTUMDUTNP-UHFFFAOYSA-N 1 3 342.483 3.770 20 0 EHADHO COCc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000093006751 1138233317 /nfs/dbraw/zinc/23/33/17/1138233317.db2.gz NDRKGFTUMDUTNP-UHFFFAOYSA-N 1 3 342.483 3.770 20 0 EHADHO OC1CC[NH+](Cc2ccc(CNc3ccnc4ccccc43)cc2)CC1 ZINC000264821183 1138649253 /nfs/dbraw/zinc/64/92/53/1138649253.db2.gz XSJWGVKLCJISAF-UHFFFAOYSA-N 1 3 347.462 3.804 20 0 EHADHO Cc1cccc2c1ncc(C)c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185311594 1140144229 /nfs/dbraw/zinc/14/42/29/1140144229.db2.gz LHICBQGWNNISTR-KRWDZBQOSA-N 1 3 339.483 3.764 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@](C)(O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000269076060 1141060792 /nfs/dbraw/zinc/06/07/92/1141060792.db2.gz YNQYMRNXJAXJDS-YVWKXTFCSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076060 1141060801 /nfs/dbraw/zinc/06/08/01/1141060801.db2.gz YNQYMRNXJAXJDS-YVWKXTFCSA-N 1 3 344.524 3.598 20 0 EHADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCC1([NH+]2CCCC2)CCOCC1 ZINC000271151936 1141315552 /nfs/dbraw/zinc/31/55/52/1141315552.db2.gz QJSFXUKCAZBRBX-HKUYNNGSSA-N 1 3 328.500 3.778 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc2ccccc2c1 ZINC000271436631 1141366661 /nfs/dbraw/zinc/36/66/61/1141366661.db2.gz BTXLNYUMGQYHTG-SSKFGXFMSA-N 1 3 338.495 3.868 20 0 EHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)N(C)C[C@@H]2C)nc1 ZINC001164637885 719251382 /nfs/dbraw/zinc/25/13/82/719251382.db2.gz XCJBIJNAMXEZMU-ZIFCJYIRSA-N 1 3 330.520 3.547 20 0 EHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C)N(C)C[C@@H]2C)nc1 ZINC001164637885 719251385 /nfs/dbraw/zinc/25/13/85/719251385.db2.gz XCJBIJNAMXEZMU-ZIFCJYIRSA-N 1 3 330.520 3.547 20 0 EHADHO C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027827 1032063714 /nfs/dbraw/zinc/06/37/14/1032063714.db2.gz JMEFKSPBWGNXBJ-UONOGXRCSA-N 1 3 333.476 3.864 20 0 EHADHO C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027827 1032063729 /nfs/dbraw/zinc/06/37/29/1032063729.db2.gz JMEFKSPBWGNXBJ-UONOGXRCSA-N 1 3 333.476 3.864 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3F)C2)CC1 ZINC001204469987 1016663717 /nfs/dbraw/zinc/66/37/17/1016663717.db2.gz RZTKWZNKUVFMSW-UHFFFAOYSA-N 1 3 330.369 3.762 20 0 EHADHO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000183954115 1032247387 /nfs/dbraw/zinc/24/73/87/1032247387.db2.gz AUOIUWXILGOVFC-KRWDZBQOSA-N 1 3 326.488 3.645 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449218502 1032334275 /nfs/dbraw/zinc/33/42/75/1032334275.db2.gz IXBHVRGTBNIEBX-ICSRJNTNSA-N 1 3 349.950 3.593 20 0 EHADHO CC(C)CN1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905066493 1032340429 /nfs/dbraw/zinc/34/04/29/1032340429.db2.gz SDIAKRZDCRPULU-KRWDZBQOSA-N 1 3 345.314 3.737 20 0 EHADHO Cc1cccc([C@@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000905123456 1032353348 /nfs/dbraw/zinc/35/33/48/1032353348.db2.gz YPMVJSLUGVSOQL-AVRDEDQJSA-N 1 3 338.495 3.844 20 0 EHADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536862900 1032363584 /nfs/dbraw/zinc/36/35/84/1032363584.db2.gz KZZUXDCFDRLVCJ-MFCZKXCZSA-N 1 3 334.479 3.538 20 0 EHADHO CCCCCN(C)c1ccc(F)cc1CNCC1=CC[N@H+](C)CC1 ZINC000538445153 1032370502 /nfs/dbraw/zinc/37/05/02/1032370502.db2.gz GQKRVVPKXVPTPT-UHFFFAOYSA-N 1 3 333.495 3.804 20 0 EHADHO CCCCCN(C)c1ccc(F)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000538445153 1032370510 /nfs/dbraw/zinc/37/05/10/1032370510.db2.gz GQKRVVPKXVPTPT-UHFFFAOYSA-N 1 3 333.495 3.804 20 0 EHADHO CC(C)C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000090936880 1032580842 /nfs/dbraw/zinc/58/08/42/1032580842.db2.gz XAEFGPYVBNXHGF-HXUWFJFHSA-N 1 3 341.499 3.899 20 0 EHADHO Cc1csc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000449475029 1032596623 /nfs/dbraw/zinc/59/66/23/1032596623.db2.gz DWIZEXLVFNDJCI-UHFFFAOYSA-N 1 3 343.540 3.877 20 0 EHADHO C[C@H](CCc1ccccc1)C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000537332160 1032637331 /nfs/dbraw/zinc/63/73/31/1032637331.db2.gz RXWOJLBFPCMOOT-VAMGGRTRSA-N 1 3 332.532 3.734 20 0 EHADHO C[C@@H]1C[NH+](CCCCNCc2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000237503384 1017083324 /nfs/dbraw/zinc/08/33/24/1017083324.db2.gz FHDLNFUVGGIWJV-ZIAGYGMSSA-N 1 3 345.314 3.972 20 0 EHADHO Cc1noc(C)c1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377197495 1017417974 /nfs/dbraw/zinc/41/79/74/1017417974.db2.gz MIQLVCOZJDRSRU-UHFFFAOYSA-N 1 3 339.483 3.780 20 0 EHADHO Cc1noc(C)c1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377197495 1017417986 /nfs/dbraw/zinc/41/79/86/1017417986.db2.gz MIQLVCOZJDRSRU-UHFFFAOYSA-N 1 3 339.483 3.780 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@H]2CCCn3ccnc32)C[N@@H+]1Cc1ccccc1 ZINC000655738180 1017500490 /nfs/dbraw/zinc/50/04/90/1017500490.db2.gz SQVKHFMENASMDR-RLLQIKCJSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738180 1017500507 /nfs/dbraw/zinc/50/05/07/1017500507.db2.gz SQVKHFMENASMDR-RLLQIKCJSA-N 1 3 338.499 3.608 20 0 EHADHO COCCN(C)CCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582509 1018585563 /nfs/dbraw/zinc/58/55/63/1018585563.db2.gz FRXDTQQZCYLEPQ-OAHLLOKOSA-N 1 3 331.287 3.539 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)co2)cc1 ZINC000580182095 1018749317 /nfs/dbraw/zinc/74/93/17/1018749317.db2.gz CKYNYILJOCAQOQ-VAMGGRTRSA-N 1 3 339.483 3.703 20 0 EHADHO COc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC001204734941 1019376150 /nfs/dbraw/zinc/37/61/50/1019376150.db2.gz GIKYGUDGGXUWSG-UHFFFAOYSA-N 1 3 342.405 3.680 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398199846 1019945160 /nfs/dbraw/zinc/94/51/60/1019945160.db2.gz PFBJRNMDBOTMDN-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398199846 1019945169 /nfs/dbraw/zinc/94/51/69/1019945169.db2.gz PFBJRNMDBOTMDN-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCC2=CCCOC2)C1 ZINC000126544064 1020082106 /nfs/dbraw/zinc/08/21/06/1020082106.db2.gz MVARZGAUJVYXOA-ROUUACIJSA-N 1 3 328.500 3.601 20 0 EHADHO Cc1ccc(CC[N@@H+](CC[C@H]2CCCN2C)C[C@@H]2CCCO2)cc1 ZINC001167461851 1020906545 /nfs/dbraw/zinc/90/65/45/1020906545.db2.gz UAQGSWGZRHYZNV-RTWAWAEBSA-N 1 3 330.516 3.503 20 0 EHADHO Cc1ccc(CC[N@H+](CC[C@H]2CCCN2C)C[C@@H]2CCCO2)cc1 ZINC001167461851 1020906547 /nfs/dbraw/zinc/90/65/47/1020906547.db2.gz UAQGSWGZRHYZNV-RTWAWAEBSA-N 1 3 330.516 3.503 20 0 EHADHO Brc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341180144 1021049545 /nfs/dbraw/zinc/04/95/45/1021049545.db2.gz DWTJVLKFPUBSDV-UGSOOPFHSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341180144 1021049549 /nfs/dbraw/zinc/04/95/49/1021049549.db2.gz DWTJVLKFPUBSDV-UGSOOPFHSA-N 1 3 349.316 3.900 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1F ZINC000656683240 1021160781 /nfs/dbraw/zinc/16/07/81/1021160781.db2.gz KNCCBTOOPBALTE-MRXNPFEDSA-N 1 3 327.447 3.784 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000507402463 1021252862 /nfs/dbraw/zinc/25/28/62/1021252862.db2.gz MLYIWAMAPRMHOP-BMFZPTHFSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000507402463 1021252872 /nfs/dbraw/zinc/25/28/72/1021252872.db2.gz MLYIWAMAPRMHOP-BMFZPTHFSA-N 1 3 326.406 3.853 20 0 EHADHO Fc1ccccc1[C@@H]1CC[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425892826 1022131492 /nfs/dbraw/zinc/13/14/92/1022131492.db2.gz AMXFOYAKYNYMOD-HZPDHXFCSA-N 1 3 343.446 3.707 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000441341944 1022179875 /nfs/dbraw/zinc/17/98/75/1022179875.db2.gz QBULWKSAAPKBDC-RTWAWAEBSA-N 1 3 343.559 3.719 20 0 EHADHO C[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)CN(C)C ZINC000425918096 1022186005 /nfs/dbraw/zinc/18/60/05/1022186005.db2.gz DEOMAQHYWRTESB-YGRLFVJLSA-N 1 3 331.323 3.749 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429522 1023293363 /nfs/dbraw/zinc/29/33/63/1023293363.db2.gz JQJYRRDSIWCGDG-SUMWQHHRSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000536429522 1023293366 /nfs/dbraw/zinc/29/33/66/1023293366.db2.gz JQJYRRDSIWCGDG-SUMWQHHRSA-N 1 3 339.321 3.920 20 0 EHADHO C[N@H+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168004778 1024253943 /nfs/dbraw/zinc/25/39/43/1024253943.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 1 3 325.500 3.822 20 0 EHADHO C[N@@H+](CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168004778 1024253962 /nfs/dbraw/zinc/25/39/62/1024253962.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 1 3 325.500 3.822 20 0 EHADHO CN(CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004778 1024253981 /nfs/dbraw/zinc/25/39/81/1024253981.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 1 3 325.500 3.822 20 0 EHADHO CN(CC/C=C/c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004778 1024253999 /nfs/dbraw/zinc/25/39/99/1024253999.db2.gz YWVQWKJULCWYEJ-HUAFDLOESA-N 1 3 325.500 3.822 20 0 EHADHO COc1cncc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168024701 1024355049 /nfs/dbraw/zinc/35/50/49/1024355049.db2.gz HNQAEJBDCSFYCC-XEMDLRDOSA-N 1 3 339.483 3.621 20 0 EHADHO C[C@H]1CC([NH2+]CCN2CCCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168006329 1024410652 /nfs/dbraw/zinc/41/06/52/1024410652.db2.gz NEPMMPIUPWRTPZ-OALUTQOASA-N 1 3 329.532 3.504 20 0 EHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1(N)CCCCCC1 ZINC000414862082 1024529616 /nfs/dbraw/zinc/52/96/16/1024529616.db2.gz UPPZOOHFEMIWTP-CQSZACIVSA-N 1 3 337.895 3.698 20 0 EHADHO C[C@@H]1CC([NH2+]C[C@H]2CCCCN2C)C[C@@H](C)N1Cc1ccccc1 ZINC001168008500 1024605836 /nfs/dbraw/zinc/60/58/36/1024605836.db2.gz FFIATPLGQUXSSS-DBXWQHBBSA-N 1 3 329.532 3.502 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000428227636 1025047455 /nfs/dbraw/zinc/04/74/55/1025047455.db2.gz SOFGSVYFPBDTMQ-YTFSRNRJSA-N 1 3 349.522 3.905 20 0 EHADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000414872859 1025099329 /nfs/dbraw/zinc/09/93/29/1025099329.db2.gz GJZOUGXUWYLMBY-BJTNVQFPSA-N 1 3 342.527 3.801 20 0 EHADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428242443 1025153060 /nfs/dbraw/zinc/15/30/60/1025153060.db2.gz SRWDSCYLZSUPLP-DXBBTUNJSA-N 1 3 344.543 3.674 20 0 EHADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000346869162 1025264690 /nfs/dbraw/zinc/26/46/90/1025264690.db2.gz SYNPRNHJLBFVHK-WMZOPIPTSA-N 1 3 332.488 3.763 20 0 EHADHO COCCC[NH+]1CCC(N[C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474033746 1025312799 /nfs/dbraw/zinc/31/27/99/1025312799.db2.gz OFTQUCHDYSTEJB-FQEVSTJZSA-N 1 3 346.515 3.508 20 0 EHADHO FC(F)Oc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000261931442 1025384755 /nfs/dbraw/zinc/38/47/55/1025384755.db2.gz CVNWKEJCMCDHDD-UHFFFAOYSA-N 1 3 330.806 3.517 20 0 EHADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766118 1025477565 /nfs/dbraw/zinc/47/75/65/1025477565.db2.gz WCHLXMNTYWBJMF-CRAIPNDOSA-N 1 3 328.431 3.574 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000436246179 1025495359 /nfs/dbraw/zinc/49/53/59/1025495359.db2.gz YAKKMCBCPNBTSM-KRXUUXHPSA-N 1 3 344.543 3.877 20 0 EHADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442878448 1025559297 /nfs/dbraw/zinc/55/92/97/1025559297.db2.gz UBCAJYVXMKEYDU-MRXNPFEDSA-N 1 3 343.515 3.672 20 0 EHADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1Cl ZINC000442890182 1025570769 /nfs/dbraw/zinc/57/07/69/1025570769.db2.gz NPWHBFRDGUGKGU-SFHVURJKSA-N 1 3 337.939 3.653 20 0 EHADHO C[C@@H]1C[C@@H](N2CCN3CCCC[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054398 1026071688 /nfs/dbraw/zinc/07/16/88/1026071688.db2.gz RCJFBEYCLJLMHC-NPDDRXJXSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@@H]1C[C@@H](N2CCN3CCCC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054398 1026071707 /nfs/dbraw/zinc/07/17/07/1026071707.db2.gz RCJFBEYCLJLMHC-NPDDRXJXSA-N 1 3 341.543 3.598 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033476 1026460116 /nfs/dbraw/zinc/46/01/16/1026460116.db2.gz WWMPTANBNOGKJX-YADHBBJMSA-N 1 3 335.495 3.611 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033476 1026460121 /nfs/dbraw/zinc/46/01/21/1026460121.db2.gz WWMPTANBNOGKJX-YADHBBJMSA-N 1 3 335.495 3.611 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456594 1027123149 /nfs/dbraw/zinc/12/31/49/1027123149.db2.gz LNPBTFPOAQGWHP-LBPRGKRZSA-N 1 3 337.389 3.761 20 0 EHADHO Cc1cccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272845561 1027143314 /nfs/dbraw/zinc/14/33/14/1027143314.db2.gz SAJWWOAHHIMPDM-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272845561 1027143324 /nfs/dbraw/zinc/14/33/24/1027143324.db2.gz SAJWWOAHHIMPDM-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272845561 1027143329 /nfs/dbraw/zinc/14/33/29/1027143329.db2.gz SAJWWOAHHIMPDM-YUXAGFNASA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ccn(C)c3)cc2)C1 ZINC000123325256 1027171167 /nfs/dbraw/zinc/17/11/67/1027171167.db2.gz BYTGOWVDQOLLKQ-ROUUACIJSA-N 1 3 325.500 3.793 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000513714174 1027261018 /nfs/dbraw/zinc/26/10/18/1027261018.db2.gz ZPZGAJONTOZMCF-IKGGRYGDSA-N 1 3 342.405 3.547 20 0 EHADHO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562854 1027304211 /nfs/dbraw/zinc/30/42/11/1027304211.db2.gz JIUFNMOIMKLHQJ-VQTJNVASSA-N 1 3 341.543 3.646 20 0 EHADHO CCC[NH+]1CCC(CN[C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453108087 1027374968 /nfs/dbraw/zinc/37/49/68/1027374968.db2.gz MYAPNVAAVJROAG-KRWDZBQOSA-N 1 3 340.515 3.860 20 0 EHADHO FC1(F)CCC[C@H](CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1 ZINC000420309027 1027455275 /nfs/dbraw/zinc/45/52/75/1027455275.db2.gz LCNBIOYJVQEPKL-FUHWJXTLSA-N 1 3 337.458 3.851 20 0 EHADHO Fc1ccc(-c2c[nH]c([C@H]3CCCN3CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313721 1027459404 /nfs/dbraw/zinc/45/94/04/1027459404.db2.gz JIJSMHGAXRQLEB-HNAYVOBHSA-N 1 3 342.462 3.742 20 0 EHADHO Brc1ccc([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)s1 ZINC000420363181 1027492294 /nfs/dbraw/zinc/49/22/94/1027492294.db2.gz BIJJTTTUQCKLHB-VXGBXAGGSA-N 1 3 329.307 3.647 20 0 EHADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)cc1Cl ZINC000420381545 1027501617 /nfs/dbraw/zinc/50/16/17/1027501617.db2.gz XSMKOZAKSFLJPK-NSHDSACASA-N 1 3 331.685 3.534 20 0 EHADHO Cc1ccccc1C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613288 1027631077 /nfs/dbraw/zinc/63/10/77/1027631077.db2.gz KOJSYAZYKRBRFJ-IBGZPJMESA-N 1 3 337.511 3.823 20 0 EHADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613500 1027632382 /nfs/dbraw/zinc/63/23/82/1027632382.db2.gz LSUDKQAOAZYAOA-RXVVDRJESA-N 1 3 327.516 3.876 20 0 EHADHO Cc1cccc2[nH]c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc21 ZINC000657612947 1027632444 /nfs/dbraw/zinc/63/24/44/1027632444.db2.gz GMQDEUVJXRHFBL-UHFFFAOYSA-N 1 3 348.494 3.873 20 0 EHADHO COc1cc(CN2CCCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001204735556 1027649966 /nfs/dbraw/zinc/64/99/66/1027649966.db2.gz XLDCLPSFXQHURX-UHFFFAOYSA-N 1 3 342.405 3.680 20 0 EHADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000342868163 1027765352 /nfs/dbraw/zinc/76/53/52/1027765352.db2.gz KECNKORCRCBCJV-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000342868163 1027765370 /nfs/dbraw/zinc/76/53/70/1027765370.db2.gz KECNKORCRCBCJV-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422705582 1027863628 /nfs/dbraw/zinc/86/36/28/1027863628.db2.gz SAGDCWWUGZTOSN-ZDUSSCGKSA-N 1 3 329.875 3.885 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+]CCc2cc(Br)ccc2F)c2ccccc21 ZINC000422706426 1027864852 /nfs/dbraw/zinc/86/48/52/1027864852.db2.gz UIYDBDRSWGWLRS-IAGOWNOFSA-N 1 3 349.247 3.865 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422722220 1027891611 /nfs/dbraw/zinc/89/16/11/1027891611.db2.gz XFISZTHTNZNKQU-ICSRJNTNSA-N 1 3 343.515 3.813 20 0 EHADHO COc1ccc(C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000422772589 1027930085 /nfs/dbraw/zinc/93/00/85/1027930085.db2.gz SNVWUSFUTHCLOH-XFQAVAEZSA-N 1 3 342.483 3.703 20 0 EHADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777980 1027934025 /nfs/dbraw/zinc/93/40/25/1027934025.db2.gz DFOGFKFDOXBBJJ-OALUTQOASA-N 1 3 335.923 3.554 20 0 EHADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777980 1027934033 /nfs/dbraw/zinc/93/40/33/1027934033.db2.gz DFOGFKFDOXBBJJ-OALUTQOASA-N 1 3 335.923 3.554 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422784392 1027938469 /nfs/dbraw/zinc/93/84/69/1027938469.db2.gz LYMOTCRCUBKRKG-CJNGLKHVSA-N 1 3 326.406 3.844 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422835939 1027978154 /nfs/dbraw/zinc/97/81/54/1027978154.db2.gz ZKTBXFWNEIRHDZ-QFBILLFUSA-N 1 3 334.467 3.503 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422818154 1027984512 /nfs/dbraw/zinc/98/45/12/1027984512.db2.gz JKDSSRDJBBKCTG-DETPVDSQSA-N 1 3 329.410 3.868 20 0 EHADHO COc1cc(CN[C@@H](C)c2c[nH+]ccc2N)ccc1OCCC(C)C ZINC000422883702 1028020557 /nfs/dbraw/zinc/02/05/57/1028020557.db2.gz QXOKRAINEMGHIR-HNNXBMFYSA-N 1 3 343.471 3.778 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000422914996 1028050986 /nfs/dbraw/zinc/05/09/86/1028050986.db2.gz AEUWSRLOZWYUGI-CHWSQXEVSA-N 1 3 333.863 3.620 20 0 EHADHO c1ccc(OCc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000459369722 1028051857 /nfs/dbraw/zinc/05/18/57/1028051857.db2.gz HQQGLCTYELTAGS-UHFFFAOYSA-N 1 3 336.479 3.982 20 0 EHADHO [NH3+][C@H]1C[C@@H](Nc2cccc(CN3CCSCC3)c2)c2ccccc21 ZINC000422955794 1028094646 /nfs/dbraw/zinc/09/46/46/1028094646.db2.gz NLKOSCRUQFLRKN-VQTJNVASSA-N 1 3 339.508 3.792 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccccc1C(C)C ZINC000422956126 1028095420 /nfs/dbraw/zinc/09/54/20/1028095420.db2.gz KSJGTWDXGPJCFE-HNNXBMFYSA-N 1 3 327.472 3.702 20 0 EHADHO c1cnc2c(c1)CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC000643344987 1028124078 /nfs/dbraw/zinc/12/40/78/1028124078.db2.gz DQLKFZFEHRQRHZ-IBGZPJMESA-N 1 3 327.516 3.573 20 0 EHADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011475 1028124587 /nfs/dbraw/zinc/12/45/87/1028124587.db2.gz IUDDJZROTULAAI-CJNGLKHVSA-N 1 3 335.904 3.723 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011475 1028124592 /nfs/dbraw/zinc/12/45/92/1028124592.db2.gz IUDDJZROTULAAI-CJNGLKHVSA-N 1 3 335.904 3.723 20 0 EHADHO FC(F)c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423055147 1028165549 /nfs/dbraw/zinc/16/55/49/1028165549.db2.gz VRPIVPQFAIGEQW-XLIONFOSSA-N 1 3 344.405 3.970 20 0 EHADHO Cc1cc2cc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2[nH]1 ZINC000423103810 1028197814 /nfs/dbraw/zinc/19/78/14/1028197814.db2.gz GQABGJMWHKFYBJ-RBBKRZOGSA-N 1 3 347.462 3.822 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(OC(F)F)c1 ZINC000423194216 1028263070 /nfs/dbraw/zinc/26/30/70/1028263070.db2.gz YOUDVRFZEBWYES-CQSZACIVSA-N 1 3 335.398 3.514 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc(OC(F)F)c1 ZINC000423194215 1028264064 /nfs/dbraw/zinc/26/40/64/1028264064.db2.gz YOUDVRFZEBWYES-AWEZNQCLSA-N 1 3 335.398 3.514 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](CN)C2CCCCC2)cc1 ZINC000423259746 1028321171 /nfs/dbraw/zinc/32/11/71/1028321171.db2.gz FSRLDYXQJJJWPE-MGPUTAFESA-N 1 3 326.488 3.739 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423259746 1028321189 /nfs/dbraw/zinc/32/11/89/1028321189.db2.gz FSRLDYXQJJJWPE-MGPUTAFESA-N 1 3 326.488 3.739 20 0 EHADHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C(=O)OC)cc1 ZINC000423289132 1028328174 /nfs/dbraw/zinc/32/81/74/1028328174.db2.gz AJPSUKWULNRZJR-KUHUBIRLSA-N 1 3 326.440 3.734 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1NC(C)=O ZINC000423296401 1028352825 /nfs/dbraw/zinc/35/28/25/1028352825.db2.gz ZBUNAMFIVKEHOF-ZIAGYGMSSA-N 1 3 341.455 3.524 20 0 EHADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479457 1028462007 /nfs/dbraw/zinc/46/20/07/1028462007.db2.gz VHRCIEVOVRPASM-IAQYHMDHSA-N 1 3 336.277 3.635 20 0 EHADHO COc1ncc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423520181 1028494984 /nfs/dbraw/zinc/49/49/84/1028494984.db2.gz QZGXSQKSURJEHC-GUYCJALGSA-N 1 3 333.863 3.874 20 0 EHADHO Cc1cc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)oc1C ZINC000423571268 1028521920 /nfs/dbraw/zinc/52/19/20/1028521920.db2.gz NMHONXDUQDAVPV-KRWDZBQOSA-N 1 3 341.499 3.541 20 0 EHADHO CS[C@@H]1CN(c2cc(C)nc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000445603065 1028967366 /nfs/dbraw/zinc/96/73/66/1028967366.db2.gz ZYGHZGISTGFECW-RBUKOAKNSA-N 1 3 327.497 3.559 20 0 EHADHO COc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162550676 1028975993 /nfs/dbraw/zinc/97/59/93/1028975993.db2.gz KUHDWRGATOXZSB-HNNXBMFYSA-N 1 3 346.446 3.626 20 0 EHADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC(F)F ZINC000414813628 1029311455 /nfs/dbraw/zinc/31/14/55/1029311455.db2.gz UJNYFZGAQPYNQU-LBPRGKRZSA-N 1 3 336.382 3.606 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446921543 1029854360 /nfs/dbraw/zinc/85/43/60/1029854360.db2.gz SKFHIDUWZSSIAI-FUHIMQAGSA-N 1 3 338.499 3.736 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921543 1029854366 /nfs/dbraw/zinc/85/43/66/1029854366.db2.gz SKFHIDUWZSSIAI-FUHIMQAGSA-N 1 3 338.499 3.736 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)s1 ZINC000090522560 1030136487 /nfs/dbraw/zinc/13/64/87/1030136487.db2.gz ZQFUPPMOYVYNBU-ZMYBRWDISA-N 1 3 336.545 3.783 20 0 EHADHO C[NH2+]Cc1ccccc1CNCc1ccc(F)c(Br)c1 ZINC000650718391 1030144576 /nfs/dbraw/zinc/14/45/76/1030144576.db2.gz KBFVYNZHLJVDFS-UHFFFAOYSA-N 1 3 337.236 3.597 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)CC1 ZINC000278325836 1030186222 /nfs/dbraw/zinc/18/62/22/1030186222.db2.gz YQYBFYNADABYTJ-FQEVSTJZSA-N 1 3 343.559 3.671 20 0 EHADHO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000453444251 1030264149 /nfs/dbraw/zinc/26/41/49/1030264149.db2.gz XVXGIADZIAUPTK-IVAOSVALSA-N 1 3 342.527 3.692 20 0 EHADHO [NH3+][C@H]1CCC[C@H]1NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625173 1030285658 /nfs/dbraw/zinc/28/56/58/1030285658.db2.gz ORFZJCKTBMTIEE-FCHUYYIVSA-N 1 3 346.478 3.568 20 0 EHADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000583625173 1030285673 /nfs/dbraw/zinc/28/56/73/1030285673.db2.gz ORFZJCKTBMTIEE-FCHUYYIVSA-N 1 3 346.478 3.568 20 0 EHADHO C[N@H+](CCCCNCc1ccc(F)cc1Br)C1CC1 ZINC000453601674 1030391063 /nfs/dbraw/zinc/39/10/63/1030391063.db2.gz VDDSUFJUQOFQKI-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO C[N@@H+](CCCCNCc1ccc(F)cc1Br)C1CC1 ZINC000453601674 1030391082 /nfs/dbraw/zinc/39/10/82/1030391082.db2.gz VDDSUFJUQOFQKI-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995628 1031431819 /nfs/dbraw/zinc/43/18/19/1031431819.db2.gz UQXMFNUMCRJQDI-HOCLYGCPSA-N 1 3 349.906 3.630 20 0 EHADHO CCC[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)OCC ZINC000527936218 1031502753 /nfs/dbraw/zinc/50/27/53/1031502753.db2.gz XHMCHHKBNLFDAM-GHTZIAJQSA-N 1 3 332.532 3.877 20 0 EHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)s2)cc1 ZINC000484486607 1031603651 /nfs/dbraw/zinc/60/36/51/1031603651.db2.gz CBOSWWCFGKOLAS-KBXCAEBGSA-N 1 3 330.497 3.854 20 0 EHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)s2)cc1 ZINC000484486607 1031603666 /nfs/dbraw/zinc/60/36/66/1031603666.db2.gz CBOSWWCFGKOLAS-KBXCAEBGSA-N 1 3 330.497 3.854 20 0 EHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178039956 1031611891 /nfs/dbraw/zinc/61/18/91/1031611891.db2.gz ZICAKGABUHSWNN-LLGFUMIMSA-N 1 3 346.515 3.552 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000484491140 1031613855 /nfs/dbraw/zinc/61/38/55/1031613855.db2.gz RHESYJXHVZDALA-INMHGKMJSA-N 1 3 337.305 3.899 20 0 EHADHO c1cc(-c2n[nH]cc2CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000904416456 1032027092 /nfs/dbraw/zinc/02/70/92/1032027092.db2.gz MZITXDSOLNOJCH-HNNXBMFYSA-N 1 3 344.528 3.740 20 0 EHADHO Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)s1 ZINC000608071031 1033459590 /nfs/dbraw/zinc/45/95/90/1033459590.db2.gz OVODDWFYHGQHRJ-UHFFFAOYSA-N 1 3 349.931 3.752 20 0 EHADHO CCCCN1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000550628572 1033758531 /nfs/dbraw/zinc/75/85/31/1033758531.db2.gz JGKQRQUOXIQFFN-NHCUHLMSSA-N 1 3 329.532 3.676 20 0 EHADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227170 1034085328 /nfs/dbraw/zinc/08/53/28/1034085328.db2.gz SZEOPQCLOUSJOL-FUHWJXTLSA-N 1 3 346.515 3.631 20 0 EHADHO COc1ccc(C[C@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227170 1034085343 /nfs/dbraw/zinc/08/53/43/1034085343.db2.gz SZEOPQCLOUSJOL-FUHWJXTLSA-N 1 3 346.515 3.631 20 0 EHADHO CN(C)Cc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456254874 1034250475 /nfs/dbraw/zinc/25/04/75/1034250475.db2.gz APPBXLKQZHUQFO-HXUWFJFHSA-N 1 3 337.467 3.549 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000310078279 1035332079 /nfs/dbraw/zinc/33/20/79/1035332079.db2.gz HKWGKYOUZNPAAE-SJLPKXTDSA-N 1 3 327.447 3.784 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000414082497 1035457122 /nfs/dbraw/zinc/45/71/22/1035457122.db2.gz FPRGJESJQKKWFJ-OAHLLOKOSA-N 1 3 346.906 3.636 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158092910 1035563726 /nfs/dbraw/zinc/56/37/26/1035563726.db2.gz QSKKIVOMNSYIQC-SJORKVTESA-N 1 3 346.519 3.553 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158092910 1035563746 /nfs/dbraw/zinc/56/37/46/1035563746.db2.gz QSKKIVOMNSYIQC-SJORKVTESA-N 1 3 346.519 3.553 20 0 EHADHO Cc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000492330307 1035626699 /nfs/dbraw/zinc/62/66/99/1035626699.db2.gz OYCQWBTWQMULAV-PZJWPPBQSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000666172182 1035815490 /nfs/dbraw/zinc/81/54/90/1035815490.db2.gz RXUMIIYIHIOJCU-NWDGAFQWSA-N 1 3 331.323 3.893 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000666172182 1035815517 /nfs/dbraw/zinc/81/55/17/1035815517.db2.gz RXUMIIYIHIOJCU-NWDGAFQWSA-N 1 3 331.323 3.893 20 0 EHADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000464060637 1036075950 /nfs/dbraw/zinc/07/59/50/1036075950.db2.gz DMCDGYHKFILDSW-IRFCIJBXSA-N 1 3 334.548 3.826 20 0 EHADHO Cc1ccc(O[C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168388121 1036317188 /nfs/dbraw/zinc/31/71/88/1036317188.db2.gz AUTOVLLTRLSOIH-NRFANRHFSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccc(O[C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168388121 1036317205 /nfs/dbraw/zinc/31/72/05/1036317205.db2.gz AUTOVLLTRLSOIH-NRFANRHFSA-N 1 3 328.500 3.713 20 0 EHADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H](C)O1 ZINC000414262948 1036344769 /nfs/dbraw/zinc/34/47/69/1036344769.db2.gz PAQQPIWAXZXGLX-KXCLMNKRSA-N 1 3 342.527 3.690 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C2CC2)c1 ZINC000541557095 1036449702 /nfs/dbraw/zinc/44/97/02/1036449702.db2.gz HQHPRQBLJQYYQF-DYESRHJHSA-N 1 3 330.516 3.870 20 0 EHADHO CC1CCN([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000192596587 1036534309 /nfs/dbraw/zinc/53/43/09/1036534309.db2.gz DTUKPOZTXIVEMY-IPQPSQTFSA-N 1 3 347.572 3.736 20 0 EHADHO CC1CCN([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000192596587 1036534322 /nfs/dbraw/zinc/53/43/22/1036534322.db2.gz DTUKPOZTXIVEMY-IPQPSQTFSA-N 1 3 347.572 3.736 20 0 EHADHO CCc1ccc([C@@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000414301684 1036551586 /nfs/dbraw/zinc/55/15/86/1036551586.db2.gz KCFQXECQFZGREC-QGZVFWFLSA-N 1 3 342.483 3.520 20 0 EHADHO c1csc(C[N@H+]2CCC[C@@H](CNCc3n[nH]c4ccccc43)C2)c1 ZINC000589647014 1036576569 /nfs/dbraw/zinc/57/65/69/1036576569.db2.gz ADKCUUVAAPJDND-HNNXBMFYSA-N 1 3 340.496 3.626 20 0 EHADHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3n[nH]c4ccccc43)C2)c1 ZINC000589647014 1036576581 /nfs/dbraw/zinc/57/65/81/1036576581.db2.gz ADKCUUVAAPJDND-HNNXBMFYSA-N 1 3 340.496 3.626 20 0 EHADHO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000177291204 1036808498 /nfs/dbraw/zinc/80/84/98/1036808498.db2.gz HHHHJZXDHJGHRA-QUCCMNQESA-N 1 3 338.495 3.910 20 0 EHADHO CCOC1(C)CCN([C@H](C)CC[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428741753 1037055969 /nfs/dbraw/zinc/05/59/69/1037055969.db2.gz ASUHTGVJXYIDPL-GOSISDBHSA-N 1 3 340.552 3.547 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cnn(CC(C)C)c2)CC1)CC1CC1 ZINC000542143574 1037103601 /nfs/dbraw/zinc/10/36/01/1037103601.db2.gz QBHKYZFJJVPFDK-UHFFFAOYSA-N 1 3 346.563 3.873 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cnn(CC(C)C)c2)CC1)CC1CC1 ZINC000542143574 1037103608 /nfs/dbraw/zinc/10/36/08/1037103608.db2.gz QBHKYZFJJVPFDK-UHFFFAOYSA-N 1 3 346.563 3.873 20 0 EHADHO CCc1ccccc1[C@H](N)C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423503137 1037517799 /nfs/dbraw/zinc/51/77/99/1037517799.db2.gz MPKFKDOCPLQDCT-KSEOMHKRSA-N 1 3 337.511 3.674 20 0 EHADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1(C)C ZINC000463024872 1037655135 /nfs/dbraw/zinc/65/51/35/1037655135.db2.gz QWPAXLHWJKNWNH-NJDAHSKKSA-N 1 3 344.543 3.733 20 0 EHADHO Cc1nc2ccc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000494015695 1037779051 /nfs/dbraw/zinc/77/90/51/1037779051.db2.gz GGKCYHKUFJOEKB-HUUCEWRRSA-N 1 3 347.528 3.584 20 0 EHADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001168258598 1038314500 /nfs/dbraw/zinc/31/45/00/1038314500.db2.gz AVJSTFWUANZEHM-LAUBAEHRSA-N 1 3 340.511 3.573 20 0 EHADHO COc1ccc2c(c1)C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001168258598 1038314508 /nfs/dbraw/zinc/31/45/08/1038314508.db2.gz AVJSTFWUANZEHM-LAUBAEHRSA-N 1 3 340.511 3.573 20 0 EHADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000461888615 1038650388 /nfs/dbraw/zinc/65/03/88/1038650388.db2.gz ZXQWWGGARVFAKQ-HDICACEKSA-N 1 3 343.515 3.730 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000559260264 1038912744 /nfs/dbraw/zinc/91/27/44/1038912744.db2.gz VWUKFMMJOHAZOM-OTWHNJEPSA-N 1 3 338.536 3.599 20 0 EHADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000552099999 1038985464 /nfs/dbraw/zinc/98/54/64/1038985464.db2.gz ZSBCLHAAHMSUOV-KRWDZBQOSA-N 1 3 348.494 3.921 20 0 EHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cn1 ZINC000554331215 1039227251 /nfs/dbraw/zinc/22/72/51/1039227251.db2.gz SUXZMHAXPQLOHL-UHFFFAOYSA-N 1 3 344.890 3.869 20 0 EHADHO CN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H]1c1ccc(Cl)cc1 ZINC000554949256 1039975254 /nfs/dbraw/zinc/97/52/54/1039975254.db2.gz FZLUDEZTNSKXLE-QYZOEREBSA-N 1 3 335.923 3.549 20 0 EHADHO c1cc(CN2CCCCC[C@H]2c2ccncc2)n(-c2cc[nH+]cc2)n1 ZINC000667470805 1040151949 /nfs/dbraw/zinc/15/19/49/1040151949.db2.gz LSADBAWCTXTQKX-FQEVSTJZSA-N 1 3 333.439 3.780 20 0 EHADHO C[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CCCCC1 ZINC000555423711 1040561475 /nfs/dbraw/zinc/56/14/75/1040561475.db2.gz PAQAWNDRPRXEST-IBGZPJMESA-N 1 3 335.580 3.552 20 0 EHADHO C[NH+](C)CCOc1cccc(CNCc2ccc3c(c2)CCCC3)c1 ZINC000490606569 1040633621 /nfs/dbraw/zinc/63/36/21/1040633621.db2.gz XQARGAHZWCCARW-UHFFFAOYSA-N 1 3 338.495 3.796 20 0 EHADHO Brc1c2ccccc2oc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273006 1042649173 /nfs/dbraw/zinc/64/91/73/1042649173.db2.gz JIMPGYDLICODSQ-BETUJISGSA-N 1 3 349.272 3.627 20 0 EHADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298431 1042665603 /nfs/dbraw/zinc/66/56/03/1042665603.db2.gz WCBKQCOQUYPCSA-QAPCUYQASA-N 1 3 340.471 3.509 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386675 1042699224 /nfs/dbraw/zinc/69/92/24/1042699224.db2.gz DKURLQCBRDSTEE-INIZCTEOSA-N 1 3 349.478 3.774 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc4c3CNC4)cc2)C1 ZINC000662386675 1042699227 /nfs/dbraw/zinc/69/92/27/1042699227.db2.gz DKURLQCBRDSTEE-INIZCTEOSA-N 1 3 349.478 3.774 20 0 EHADHO C[C@H]1C[N@H+](CCCN[C@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412090 1043116380 /nfs/dbraw/zinc/11/63/80/1043116380.db2.gz ACZDCKMCNRRFSX-KXBFYZLASA-N 1 3 336.907 3.808 20 0 EHADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCCc3c(Cl)cccc32)CCCO1 ZINC000432412090 1043116381 /nfs/dbraw/zinc/11/63/81/1043116381.db2.gz ACZDCKMCNRRFSX-KXBFYZLASA-N 1 3 336.907 3.808 20 0 EHADHO O[C@@H](CC1CCCC1)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512243283 1044361578 /nfs/dbraw/zinc/36/15/78/1044361578.db2.gz KDXXDTDOAMIAAR-VXKWHMMOSA-N 1 3 342.527 3.526 20 0 EHADHO O[C@@H](CC1CCCC1)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512243283 1044361595 /nfs/dbraw/zinc/36/15/95/1044361595.db2.gz KDXXDTDOAMIAAR-VXKWHMMOSA-N 1 3 342.527 3.526 20 0 EHADHO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](CCCN2CCCC2)CC1 ZINC000153670078 1125645624 /nfs/dbraw/zinc/64/56/24/1125645624.db2.gz DFAFGVKYSGWVIK-UHFFFAOYSA-N 1 3 329.463 3.972 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171930629 1126770365 /nfs/dbraw/zinc/77/03/65/1126770365.db2.gz IYOUELRRKGEINU-UHFFFAOYSA-N 1 3 344.421 3.934 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000171930629 1126770367 /nfs/dbraw/zinc/77/03/67/1126770367.db2.gz IYOUELRRKGEINU-UHFFFAOYSA-N 1 3 344.421 3.934 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000623357868 1126929196 /nfs/dbraw/zinc/92/91/96/1126929196.db2.gz DEJIPWVRTHNHGN-SFHVURJKSA-N 1 3 339.483 3.623 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1(C)C ZINC000623384630 1126939709 /nfs/dbraw/zinc/93/97/09/1126939709.db2.gz AQARWQYPIRZWEP-LBPRGKRZSA-N 1 3 329.257 3.551 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623422225 1126950973 /nfs/dbraw/zinc/95/09/73/1126950973.db2.gz NKQLVEBYPSDARB-FXAWDEMLSA-N 1 3 329.532 3.674 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000180678334 1127180737 /nfs/dbraw/zinc/18/07/37/1127180737.db2.gz IFCYVYUXFYSPNH-UHFFFAOYSA-N 1 3 344.421 3.937 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623986857 1127224986 /nfs/dbraw/zinc/22/49/86/1127224986.db2.gz IZQOHJZIFWDUCA-JBACZVJFSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)c(Br)c1 ZINC000624119493 1127255812 /nfs/dbraw/zinc/25/58/12/1127255812.db2.gz CUYHJTZMGFYAPV-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000181492124 1127279164 /nfs/dbraw/zinc/27/91/64/1127279164.db2.gz PJMYOLBTOMYMJQ-KRWDZBQOSA-N 1 3 343.515 3.673 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(F)cc(Br)c1 ZINC000181527278 1127281780 /nfs/dbraw/zinc/28/17/80/1127281780.db2.gz UMKUAVWISSOJSQ-BLLLJJGKSA-N 1 3 343.284 3.971 20 0 EHADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183929757 1127389711 /nfs/dbraw/zinc/38/97/11/1127389711.db2.gz OVXROCKBDLRLSX-QHAWAJNXSA-N 1 3 344.543 3.939 20 0 EHADHO c1ccc2c(c1)C[C@@H](CNC1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000765333865 1127599564 /nfs/dbraw/zinc/59/95/64/1127599564.db2.gz MATHKBMWYDZMOS-KRWDZBQOSA-N 1 3 328.500 3.624 20 0 EHADHO CCOc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000765406037 1127608588 /nfs/dbraw/zinc/60/85/88/1127608588.db2.gz LIYOCNXFSOCUMD-KURKYZTESA-N 1 3 334.504 3.625 20 0 EHADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)CNC2 ZINC000347492556 1127735440 /nfs/dbraw/zinc/73/54/40/1127735440.db2.gz DUNWZFWGQHVANW-UHFFFAOYSA-N 1 3 349.478 3.918 20 0 EHADHO Cc1ccc([C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)c(C)c1 ZINC000282159357 1128014168 /nfs/dbraw/zinc/01/41/68/1128014168.db2.gz UBPJUWUQXPYRMV-OAQYLSRUSA-N 1 3 343.559 3.509 20 0 EHADHO Cc1ccc([C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)c(C)c1 ZINC000282159357 1128014171 /nfs/dbraw/zinc/01/41/71/1128014171.db2.gz UBPJUWUQXPYRMV-OAQYLSRUSA-N 1 3 343.559 3.509 20 0 EHADHO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282235384 1128121604 /nfs/dbraw/zinc/12/16/04/1128121604.db2.gz ZRLIEPQRKTXECI-RBBKRZOGSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282235384 1128121605 /nfs/dbraw/zinc/12/16/05/1128121605.db2.gz ZRLIEPQRKTXECI-RBBKRZOGSA-N 1 3 343.559 3.589 20 0 EHADHO C[NH+](C)Cc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000063916159 1128160346 /nfs/dbraw/zinc/16/03/46/1128160346.db2.gz CUXITPIBFDHLGJ-UHFFFAOYSA-N 1 3 337.467 3.596 20 0 EHADHO CC[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000542688556 1128537555 /nfs/dbraw/zinc/53/75/55/1128537555.db2.gz CZTPNYPRDQLRHQ-HXUWFJFHSA-N 1 3 343.559 3.530 20 0 EHADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000475279002 1128711963 /nfs/dbraw/zinc/71/19/63/1128711963.db2.gz IRXYJLNEWCAIQT-ACIOBRDBSA-N 1 3 349.522 3.823 20 0 EHADHO Cc1nc2ccc(CNCc3cccc(C[NH+](C)C)c3)cc2s1 ZINC000494357649 1120537328 /nfs/dbraw/zinc/53/73/28/1120537328.db2.gz KUFKCGJGNZQQTC-UHFFFAOYSA-N 1 3 325.481 3.956 20 0 EHADHO Cc1nc2ccc(CNCc3ccc(C[NH+](C)C)cc3)cc2s1 ZINC000494388097 1120548695 /nfs/dbraw/zinc/54/86/95/1120548695.db2.gz VABGHLCCPZIVTC-UHFFFAOYSA-N 1 3 325.481 3.956 20 0 EHADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001168466776 1120671274 /nfs/dbraw/zinc/67/12/74/1120671274.db2.gz FFNGIIPKYAMDKU-KRWDZBQOSA-N 1 3 341.474 3.654 20 0 EHADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000227497560 1120887977 /nfs/dbraw/zinc/88/79/77/1120887977.db2.gz CZBMSILXFGYKPX-GFCCVEGCSA-N 1 3 343.284 3.971 20 0 EHADHO Brc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000250087781 1120953786 /nfs/dbraw/zinc/95/37/86/1120953786.db2.gz UYSFHQVDOBGMJX-STCOUPBVSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1cccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250087781 1120953790 /nfs/dbraw/zinc/95/37/90/1120953790.db2.gz UYSFHQVDOBGMJX-STCOUPBVSA-N 1 3 349.316 3.912 20 0 EHADHO CCc1nc2cc(CNC3CC[NH+](CC)CC3)ccc2n1C1CC1 ZINC000338778243 1128958295 /nfs/dbraw/zinc/95/82/95/1128958295.db2.gz JQHMCRUVLFETFM-UHFFFAOYSA-N 1 3 326.488 3.508 20 0 EHADHO Cc1c(C[NH2+]C2CCN(CC(C)C)CC2)sc2nc(C)nc(C)c12 ZINC000915227207 1121262749 /nfs/dbraw/zinc/26/27/49/1121262749.db2.gz WZVJJFKHPQRUQB-UHFFFAOYSA-N 1 3 346.544 3.827 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1CN1CCCCC1 ZINC000762650815 1121398253 /nfs/dbraw/zinc/39/82/53/1121398253.db2.gz SFYMGNJTGCSZPJ-ABSDTBQOSA-N 1 3 346.515 3.757 20 0 EHADHO C[C@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1)CN1CCCC1 ZINC000235471706 1121408078 /nfs/dbraw/zinc/40/80/78/1121408078.db2.gz UEMBYCFCVFGQCE-HUUCEWRRSA-N 1 3 339.321 3.702 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)c2ccccc21 ZINC000338791673 1129053524 /nfs/dbraw/zinc/05/35/24/1129053524.db2.gz ZSNDGFDTCIQCRI-FEHORTKBSA-N 1 3 344.499 3.631 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000556886391 1123166850 /nfs/dbraw/zinc/16/68/50/1123166850.db2.gz LYZZOCBJGSEHSF-OHLDOZIISA-N 1 3 342.527 3.834 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2c(C)nn(CCC)c2C)CC1 ZINC000134147278 1123494989 /nfs/dbraw/zinc/49/49/89/1123494989.db2.gz HUOBLZSJNPIVSK-UHFFFAOYSA-N 1 3 334.552 3.854 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C)nn(CCC)c2C)CC1 ZINC000134147278 1123494991 /nfs/dbraw/zinc/49/49/91/1123494991.db2.gz HUOBLZSJNPIVSK-UHFFFAOYSA-N 1 3 334.552 3.854 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246456466 1124472137 /nfs/dbraw/zinc/47/21/37/1124472137.db2.gz FESUDMINQADNPZ-AZUAARDMSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246456466 1124472144 /nfs/dbraw/zinc/47/21/44/1124472144.db2.gz FESUDMINQADNPZ-AZUAARDMSA-N 1 3 328.500 3.713 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000246987900 1124574710 /nfs/dbraw/zinc/57/47/10/1124574710.db2.gz KAFGOUYVVOJJRW-IOASZLSFSA-N 1 3 337.305 3.929 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000246987900 1124574716 /nfs/dbraw/zinc/57/47/16/1124574716.db2.gz KAFGOUYVVOJJRW-IOASZLSFSA-N 1 3 337.305 3.929 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000246987900 1124574722 /nfs/dbraw/zinc/57/47/22/1124574722.db2.gz KAFGOUYVVOJJRW-IOASZLSFSA-N 1 3 337.305 3.929 20 0 EHADHO COc1ccc([C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000091311181 1124975944 /nfs/dbraw/zinc/97/59/44/1124975944.db2.gz CMHJGSPKEQTCNR-XGHQBKJUSA-N 1 3 346.515 3.625 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2nc3c(s2)CCCC3)CC1 ZINC000922503164 1129556282 /nfs/dbraw/zinc/55/62/82/1129556282.db2.gz GZMWRPWBPPIIEW-UHFFFAOYSA-N 1 3 333.545 3.909 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cnsc2)CC1 ZINC001649123496 1129952782 /nfs/dbraw/zinc/95/27/82/1129952782.db2.gz UCFUMXMVHOEWSG-UHFFFAOYSA-N 1 3 335.904 3.798 20 0 EHADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1(F)F ZINC000658216223 1130274924 /nfs/dbraw/zinc/27/49/24/1130274924.db2.gz AMYDFPFGHQKUEV-WJFTUGDTSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C)Cc3ccccc32)CCN1Cc1ccccc1 ZINC000536838552 1130594694 /nfs/dbraw/zinc/59/46/94/1130594694.db2.gz HWGGKCNKIMAWJL-JMUQELJHSA-N 1 3 349.522 3.816 20 0 EHADHO Brc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166616119 1130595935 /nfs/dbraw/zinc/59/59/35/1130595935.db2.gz HKZGGMDSKRYICE-IAGOWNOFSA-N 1 3 349.316 3.697 20 0 EHADHO Brc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166616119 1130595941 /nfs/dbraw/zinc/59/59/41/1130595941.db2.gz HKZGGMDSKRYICE-IAGOWNOFSA-N 1 3 349.316 3.697 20 0 EHADHO CCOCC[C@H](C)N1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001172424351 1131723208 /nfs/dbraw/zinc/72/32/08/1131723208.db2.gz NTXORPDLVCNZOQ-FIRPJDEBSA-N 1 3 330.516 3.912 20 0 EHADHO CCOCC[C@H](C)N1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001172424351 1131723211 /nfs/dbraw/zinc/72/32/11/1131723211.db2.gz NTXORPDLVCNZOQ-FIRPJDEBSA-N 1 3 330.516 3.912 20 0 EHADHO CCN(CC)C[C@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743388610 1131908569 /nfs/dbraw/zinc/90/85/69/1131908569.db2.gz UNDWWLKVKCQOBA-MRXNPFEDSA-N 1 3 329.513 3.992 20 0 EHADHO CCN(CC)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743388610 1131908573 /nfs/dbraw/zinc/90/85/73/1131908573.db2.gz UNDWWLKVKCQOBA-MRXNPFEDSA-N 1 3 329.513 3.992 20 0 EHADHO Cc1cc(C)cc([C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000743840618 1131983160 /nfs/dbraw/zinc/98/31/60/1131983160.db2.gz OMPKITPGOUFMSO-QFIPXVFZSA-N 1 3 344.543 3.925 20 0 EHADHO c1ccc(C[NH+]2CCN(c3ccc(Nc4ccncc4)cc3)CC2)cc1 ZINC001173883836 1132179336 /nfs/dbraw/zinc/17/93/36/1132179336.db2.gz WMNGADGZKNTKLF-UHFFFAOYSA-N 1 3 344.462 3.569 20 0 EHADHO CC[C@@H]([NH2+]C/C=C/CN[C@@H](CC)c1nccs1)c1nccs1 ZINC000185070998 1132413010 /nfs/dbraw/zinc/41/30/10/1132413010.db2.gz UNYVSLCXPKGPQW-DLPZHFSESA-N 1 3 336.530 3.937 20 0 EHADHO CC[C@@H](NC/C=C/C[NH2+][C@@H](CC)c1nccs1)c1nccs1 ZINC000185070998 1132413016 /nfs/dbraw/zinc/41/30/16/1132413016.db2.gz UNYVSLCXPKGPQW-DLPZHFSESA-N 1 3 336.530 3.937 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099572 1132655656 /nfs/dbraw/zinc/65/56/56/1132655656.db2.gz BTAGQBYMFCLHJP-LJCCNALRSA-N 1 3 332.463 3.508 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154431 1132680424 /nfs/dbraw/zinc/68/04/24/1132680424.db2.gz QQOPTVQUYQYNTP-MUJYYYPQSA-N 1 3 340.389 3.569 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3ccc(OC(F)(F)F)cc3C1)C2 ZINC001169154431 1132680429 /nfs/dbraw/zinc/68/04/29/1132680429.db2.gz QQOPTVQUYQYNTP-MUJYYYPQSA-N 1 3 340.389 3.569 20 0 EHADHO CC[NH+]1CCC(N[C@@H](CC2CCOCC2)c2ccc(F)cc2)CC1 ZINC001169241142 1132707272 /nfs/dbraw/zinc/70/72/72/1132707272.db2.gz IGHCOOAEIOERFA-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO CCC1([NH+]2CCC2)CCN(C[C@H](C)COCc2ccccc2)CC1 ZINC001176242892 1132884952 /nfs/dbraw/zinc/88/49/52/1132884952.db2.gz ICPLLXDBTIQKEP-IBGZPJMESA-N 1 3 330.516 3.790 20 0 EHADHO CCC1(N2CCC2)CC[NH+](C[C@H](C)COCc2ccccc2)CC1 ZINC001176242892 1132884959 /nfs/dbraw/zinc/88/49/59/1132884959.db2.gz ICPLLXDBTIQKEP-IBGZPJMESA-N 1 3 330.516 3.790 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC001177299586 1133048415 /nfs/dbraw/zinc/04/84/15/1133048415.db2.gz WQQCSEWQYRVPFN-IRXDYDNUSA-N 1 3 346.515 3.763 20 0 EHADHO COc1cc2c(cc1CNCCCC[N@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC001177299586 1133048421 /nfs/dbraw/zinc/04/84/21/1133048421.db2.gz WQQCSEWQYRVPFN-IRXDYDNUSA-N 1 3 346.515 3.763 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001181944905 1133553966 /nfs/dbraw/zinc/55/39/66/1133553966.db2.gz GCTDLLGFIHCASC-WWDZGPRUSA-N 1 3 344.490 3.825 20 0 EHADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(Cl)c(C)c3)CC2)CC1 ZINC001182433143 1133657034 /nfs/dbraw/zinc/65/70/34/1133657034.db2.gz IDLHWILFJYPWKS-UHFFFAOYSA-N 1 3 349.950 3.640 20 0 EHADHO CC(C)(C)[C@]1(C[N@@H+]2CCC3(COC3)C2)CCN(Cc2ccccc2)C1 ZINC001182998771 1133756018 /nfs/dbraw/zinc/75/60/18/1133756018.db2.gz CKXDBYYGFNCBHX-JOCHJYFZSA-N 1 3 342.527 3.647 20 0 EHADHO CC(C)(C)[C@]1(C[N@H+]2CCC3(COC3)C2)CCN(Cc2ccccc2)C1 ZINC001182998771 1133756020 /nfs/dbraw/zinc/75/60/20/1133756020.db2.gz CKXDBYYGFNCBHX-JOCHJYFZSA-N 1 3 342.527 3.647 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCSC2)ccc1OC ZINC000790498933 1134426909 /nfs/dbraw/zinc/42/69/09/1134426909.db2.gz VSHCBSGPAJCYDU-CVEARBPZSA-N 1 3 336.545 3.941 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCSC2)ccc1OC ZINC000790498935 1134427129 /nfs/dbraw/zinc/42/71/29/1134427129.db2.gz VSHCBSGPAJCYDU-HOTGVXAUSA-N 1 3 336.545 3.941 20 0 EHADHO Brc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000790972061 1134493291 /nfs/dbraw/zinc/49/32/91/1134493291.db2.gz CLEVQOGHPSFAIA-UHFFFAOYSA-N 1 3 341.293 3.929 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)cc1CN1CCCCC1 ZINC000775390447 1134705634 /nfs/dbraw/zinc/70/56/34/1134705634.db2.gz NHNCWMRFHWGCLK-UWJYYQICSA-N 1 3 346.515 3.758 20 0 EHADHO CC[C@H]1C[C@@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CCO1 ZINC001170207876 1134706725 /nfs/dbraw/zinc/70/67/25/1134706725.db2.gz NHSXZEKIINUKOQ-ROUUACIJSA-N 1 3 339.483 3.623 20 0 EHADHO COc1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1CN1CCCCC1 ZINC000775393110 1134709688 /nfs/dbraw/zinc/70/96/88/1134709688.db2.gz DHATZJPDUBOSHH-KRWDZBQOSA-N 1 3 341.499 3.870 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1CN1CCCCC1 ZINC000775423241 1134771956 /nfs/dbraw/zinc/77/19/56/1134771956.db2.gz OFIXRFDWLQWSHX-UWVAXJGDSA-N 1 3 346.515 3.899 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)CN(Cc2ccccc2)C1 ZINC000793608040 1134969002 /nfs/dbraw/zinc/96/90/02/1134969002.db2.gz HKXOETGRCSZZEO-LAUBAEHRSA-N 1 3 348.494 3.606 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cc1CN1CCCCC1 ZINC000806170251 1135396856 /nfs/dbraw/zinc/39/68/56/1135396856.db2.gz YJGWMENMDVBODC-YLJYHZDGSA-N 1 3 348.531 3.596 20 0 EHADHO CN(C)c1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc[nH+]1 ZINC001201474690 1136032036 /nfs/dbraw/zinc/03/20/36/1136032036.db2.gz KDRIPBNZKQVJDB-UXHICEINSA-N 1 3 334.467 3.880 20 0 EHADHO FC(F)(F)CCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001202433471 1136148096 /nfs/dbraw/zinc/14/80/96/1136148096.db2.gz OTTHMSMHVLDNJL-UHFFFAOYSA-N 1 3 326.406 3.927 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001170670193 1136187226 /nfs/dbraw/zinc/18/72/26/1136187226.db2.gz QVYCNKAJMZWYTI-QGZVFWFLSA-N 1 3 334.454 3.819 20 0 EHADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccnn1C ZINC000813880192 1136371853 /nfs/dbraw/zinc/37/18/53/1136371853.db2.gz CAEGPKHOPFFEBL-OHSMVPPVSA-N 1 3 338.499 3.656 20 0 EHADHO CC(C)C(=O)CC[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000814640064 1136487712 /nfs/dbraw/zinc/48/77/12/1136487712.db2.gz PZZIGZSXESHYOL-UHFFFAOYSA-N 1 3 328.500 3.590 20 0 EHADHO CC(C)C(=O)CC[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000814640064 1136487715 /nfs/dbraw/zinc/48/77/15/1136487715.db2.gz PZZIGZSXESHYOL-UHFFFAOYSA-N 1 3 328.500 3.590 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000815071814 1136546622 /nfs/dbraw/zinc/54/66/22/1136546622.db2.gz WIVKBQZHPZEQIX-DQLDELGASA-N 1 3 326.484 3.535 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000815071814 1136546624 /nfs/dbraw/zinc/54/66/24/1136546624.db2.gz WIVKBQZHPZEQIX-DQLDELGASA-N 1 3 326.484 3.535 20 0 EHADHO Clc1ccc(CN2CCC(C[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC001170797043 1136626849 /nfs/dbraw/zinc/62/68/49/1136626849.db2.gz RQAUKHYOPFPGOU-IBGZPJMESA-N 1 3 336.907 3.711 20 0 EHADHO Cc1cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000817896638 1136844269 /nfs/dbraw/zinc/84/42/69/1136844269.db2.gz MSPUTBUXHHWNQM-IEBWSBKVSA-N 1 3 328.481 3.710 20 0 EHADHO N[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)cc2F)c2ccccc21 ZINC000817901672 1136844680 /nfs/dbraw/zinc/84/46/80/1136844680.db2.gz DWBNKURUFJAZBO-DLBZAZTESA-N 1 3 349.247 3.865 20 0 EHADHO COc1c(C)cc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1Cl ZINC000817939307 1136847755 /nfs/dbraw/zinc/84/77/55/1136847755.db2.gz CBMQKZKPXSGLGY-OAHLLOKOSA-N 1 3 347.890 3.883 20 0 EHADHO CC(C)c1ccc(C2(O)CCC(N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817969309 1136853809 /nfs/dbraw/zinc/85/38/09/1136853809.db2.gz UMIRRZVGCZBLIM-GXVGGZGZSA-N 1 3 330.516 3.528 20 0 EHADHO Cc1nc(C(C)C)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000339008827 1136921688 /nfs/dbraw/zinc/92/16/88/1136921688.db2.gz CPCAUNPLWMBFAJ-UHFFFAOYSA-N 1 3 345.531 3.590 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000339069657 1137233998 /nfs/dbraw/zinc/23/39/98/1137233998.db2.gz KKRIEPRIQCCWLW-DBXWQHBBSA-N 1 3 330.516 3.851 20 0 EHADHO c1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc(CC2CCC2)c1 ZINC000865468582 1137286634 /nfs/dbraw/zinc/28/66/34/1137286634.db2.gz IWNKABJTFKIQOI-OAQYLSRUSA-N 1 3 342.527 3.620 20 0 EHADHO Cc1csc(CNCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000865717525 1137306516 /nfs/dbraw/zinc/30/65/16/1137306516.db2.gz CXUGIFMVDOVJHH-UHFFFAOYSA-N 1 3 329.513 3.843 20 0 EHADHO Cc1cc(CN(C)CC2CC[NH+](C)CC2)c(F)cc1Br ZINC001144588329 1137313608 /nfs/dbraw/zinc/31/36/08/1137313608.db2.gz NSKBBQQUPIRQOW-UHFFFAOYSA-N 1 3 343.284 3.670 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000846042498 1137329288 /nfs/dbraw/zinc/32/92/88/1137329288.db2.gz MHWBODFETQGZDH-OAQYLSRUSA-N 1 3 334.548 3.826 20 0 EHADHO CSc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000348133046 1137444649 /nfs/dbraw/zinc/44/46/49/1137444649.db2.gz JPITYLFRFJZLSD-QFBILLFUSA-N 1 3 341.524 3.804 20 0 EHADHO CC1(C)CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716712754 1137488659 /nfs/dbraw/zinc/48/86/59/1137488659.db2.gz NGHPZMYWMHVVSF-LWYYNNOASA-N 1 3 328.500 3.587 20 0 EHADHO COC(=O)C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CCCCC1 ZINC001171626057 1137501363 /nfs/dbraw/zinc/50/13/63/1137501363.db2.gz UTOSKHTYTGYTHX-QGZVFWFLSA-N 1 3 338.536 3.739 20 0 EHADHO C[C@@H](CN1CCCC1)[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962185 1137519604 /nfs/dbraw/zinc/51/96/04/1137519604.db2.gz BUHZPGLDYBMPIC-ICSRJNTNSA-N 1 3 329.532 3.504 20 0 EHADHO CC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171965752 1137520225 /nfs/dbraw/zinc/52/02/25/1137520225.db2.gz RHQXKLNIXBCVGW-BMFZPTHFSA-N 1 3 326.406 3.520 20 0 EHADHO CC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171965752 1137520227 /nfs/dbraw/zinc/52/02/27/1137520227.db2.gz RHQXKLNIXBCVGW-BMFZPTHFSA-N 1 3 326.406 3.520 20 0 EHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCOCC24CCC4)C3)cc1 ZINC001172082742 1137531607 /nfs/dbraw/zinc/53/16/07/1137531607.db2.gz LNHKJTVURYRLLB-AERCQKQUSA-N 1 3 340.511 3.827 20 0 EHADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCOCC24CCC4)C3)cc1 ZINC001172082742 1137531609 /nfs/dbraw/zinc/53/16/09/1137531609.db2.gz LNHKJTVURYRLLB-AERCQKQUSA-N 1 3 340.511 3.827 20 0 EHADHO CN([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001172090686 1137532228 /nfs/dbraw/zinc/53/22/28/1137532228.db2.gz WBKDTTBLHFNVFM-JSXRDJHFSA-N 1 3 328.500 3.683 20 0 EHADHO CN([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCOC1 ZINC001172090686 1137532230 /nfs/dbraw/zinc/53/22/30/1137532230.db2.gz WBKDTTBLHFNVFM-JSXRDJHFSA-N 1 3 328.500 3.683 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001172107012 1137536965 /nfs/dbraw/zinc/53/69/65/1137536965.db2.gz SFNSGMUUKQXRET-QKDCVEJESA-N 1 3 342.405 3.819 20 0 EHADHO Cc1cc(C)n(-c2ccc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)n1 ZINC001172108106 1137537318 /nfs/dbraw/zinc/53/73/18/1137537318.db2.gz PROBUIHRZWOFKD-ZKTXZKFHSA-N 1 3 338.499 3.594 20 0 EHADHO Cc1cc(C)n(-c2ccc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC001172108106 1137537319 /nfs/dbraw/zinc/53/73/19/1137537319.db2.gz PROBUIHRZWOFKD-ZKTXZKFHSA-N 1 3 338.499 3.594 20 0 EHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001172333727 1137551332 /nfs/dbraw/zinc/55/13/32/1137551332.db2.gz KMPYMJQANOOVJH-QZTJIDSGSA-N 1 3 348.531 3.625 20 0 EHADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001172333732 1137551357 /nfs/dbraw/zinc/55/13/57/1137551357.db2.gz KMPYMJQANOOVJH-ZWKOTPCHSA-N 1 3 348.531 3.625 20 0 EHADHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc2c(c1)CCCO2 ZINC000873212569 1137594116 /nfs/dbraw/zinc/59/41/16/1137594116.db2.gz NXMJJTFHYYLABM-ZDUSSCGKSA-N 1 3 328.481 3.570 20 0 EHADHO Cc1nc(C)c(CNCCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000877696953 1137686165 /nfs/dbraw/zinc/68/61/65/1137686165.db2.gz CSGAGBWRDITYEV-UHFFFAOYSA-N 1 3 327.472 3.683 20 0 EHADHO Cc1oc(-c2ccccc2)nc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247105 1137742500 /nfs/dbraw/zinc/74/25/00/1137742500.db2.gz NHINHCKRICOYAZ-UHFFFAOYSA-N 1 3 339.483 3.958 20 0 EHADHO C[C@H]([NH2+]Cc1cccc(Cl)c1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000883083842 1137843968 /nfs/dbraw/zinc/84/39/68/1137843968.db2.gz AGACWIBUYCZLPE-MAUKXSAKSA-N 1 3 343.902 3.922 20 0 EHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176308 1137847374 /nfs/dbraw/zinc/84/73/74/1137847374.db2.gz ZYRDCSPYTOCCOS-OXJNMPFZSA-N 1 3 334.479 3.615 20 0 EHADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883176308 1137847375 /nfs/dbraw/zinc/84/73/75/1137847375.db2.gz ZYRDCSPYTOCCOS-OXJNMPFZSA-N 1 3 334.479 3.615 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239015 1137850042 /nfs/dbraw/zinc/85/00/42/1137850042.db2.gz TYVWPGXWNUFWCJ-UZLBHIALSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@@H+]1CCCC[C@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239015 1137850043 /nfs/dbraw/zinc/85/00/43/1137850043.db2.gz TYVWPGXWNUFWCJ-UZLBHIALSA-N 1 3 334.479 3.615 20 0 EHADHO C[N@H+]1CCCC[C@H](CN[C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883239015 1137850044 /nfs/dbraw/zinc/85/00/44/1137850044.db2.gz TYVWPGXWNUFWCJ-UZLBHIALSA-N 1 3 334.479 3.615 20 0 EHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc2c(c1)OCCCO2 ZINC000348255083 1137883674 /nfs/dbraw/zinc/88/36/74/1137883674.db2.gz PWJZVWGKJSAWFD-MRXNPFEDSA-N 1 3 332.488 3.621 20 0 EHADHO Cc1cnccc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886556655 1138095773 /nfs/dbraw/zinc/09/57/73/1138095773.db2.gz HESRXKMIVBJJJG-NNWRFLSQSA-N 1 3 335.495 3.575 20 0 EHADHO CC1(C)C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886623288 1138103404 /nfs/dbraw/zinc/10/34/04/1138103404.db2.gz AEQRRNXPBMUYKK-BURNTYAHSA-N 1 3 342.527 3.834 20 0 EHADHO COCCOc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123628083 1138272718 /nfs/dbraw/zinc/27/27/18/1138272718.db2.gz AUOKMJUBSWVCOK-KRWDZBQOSA-N 1 3 342.483 3.624 20 0 EHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCCO2 ZINC000123721651 1138274005 /nfs/dbraw/zinc/27/40/05/1138274005.db2.gz RQKBNFHMOLDOBO-MRXNPFEDSA-N 1 3 340.467 3.760 20 0 EHADHO CCc1ccc([C@H](CC)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132942346 1138612479 /nfs/dbraw/zinc/61/24/79/1138612479.db2.gz XZCWGONQRLXLRA-RXVVDRJESA-N 1 3 330.516 3.791 20 0 EHADHO C[C@@]1(CN)CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337764631 1138662648 /nfs/dbraw/zinc/66/26/48/1138662648.db2.gz RMQLMQVYTRDPTP-INIZCTEOSA-N 1 3 330.394 3.535 20 0 EHADHO C[C@@]1(CN)CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000337764631 1138662649 /nfs/dbraw/zinc/66/26/49/1138662649.db2.gz RMQLMQVYTRDPTP-INIZCTEOSA-N 1 3 330.394 3.535 20 0 EHADHO COCc1cccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000174312840 1139413321 /nfs/dbraw/zinc/41/33/21/1139413321.db2.gz BSFGCNJFOBMOMD-UHFFFAOYSA-N 1 3 326.484 3.963 20 0 EHADHO COCc1cccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000174312840 1139413325 /nfs/dbraw/zinc/41/33/25/1139413325.db2.gz BSFGCNJFOBMOMD-UHFFFAOYSA-N 1 3 326.484 3.963 20 0 EHADHO Cc1cncc([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000184341592 1140097232 /nfs/dbraw/zinc/09/72/32/1140097232.db2.gz SZNRWBYXFMCOGU-QGZVFWFLSA-N 1 3 327.472 3.571 20 0 EHADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502668 1140468607 /nfs/dbraw/zinc/46/86/07/1140468607.db2.gz MRZFLONRXDAULW-NHCUHLMSSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502668 1140468611 /nfs/dbraw/zinc/46/86/11/1140468611.db2.gz MRZFLONRXDAULW-NHCUHLMSSA-N 1 3 343.559 3.589 20 0 EHADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCNc2ccccc21 ZINC000192779961 1140550411 /nfs/dbraw/zinc/55/04/11/1140550411.db2.gz OZLVUUUORDNDRN-HXUWFJFHSA-N 1 3 339.483 3.664 20 0 EHADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000195449775 1140639114 /nfs/dbraw/zinc/63/91/14/1140639114.db2.gz CACCESZGKMQSSM-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000195449775 1140639115 /nfs/dbraw/zinc/63/91/15/1140639115.db2.gz CACCESZGKMQSSM-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)COC2 ZINC000268799979 1140995243 /nfs/dbraw/zinc/99/52/43/1140995243.db2.gz XYNBWKKKVYNINJ-MRXNPFEDSA-N 1 3 340.467 3.508 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268888943 1141017194 /nfs/dbraw/zinc/01/71/94/1141017194.db2.gz ZLHMWOXBZHQSHP-FGSXEWAUSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268888943 1141017201 /nfs/dbraw/zinc/01/72/01/1141017201.db2.gz ZLHMWOXBZHQSHP-FGSXEWAUSA-N 1 3 338.495 3.740 20 0 EHADHO CCC[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)cc1 ZINC000268901262 1141021498 /nfs/dbraw/zinc/02/14/98/1141021498.db2.gz RAXRQUUVMYRQFW-HXUWFJFHSA-N 1 3 346.515 3.771 20 0 EHADHO Cc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000269038678 1141052018 /nfs/dbraw/zinc/05/20/18/1141052018.db2.gz FYCSPRPRLSYKJO-MRXNPFEDSA-N 1 3 344.524 3.864 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)s1 ZINC000269038678 1141052025 /nfs/dbraw/zinc/05/20/25/1141052025.db2.gz FYCSPRPRLSYKJO-MRXNPFEDSA-N 1 3 344.524 3.864 20 0 EHADHO CCc1noc(CC)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000269125655 1141069671 /nfs/dbraw/zinc/06/96/71/1141069671.db2.gz YMIAPFPJDBVHAR-FUHWJXTLSA-N 1 3 341.499 3.942 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271544297 1141393773 /nfs/dbraw/zinc/39/37/73/1141393773.db2.gz TYCLUPQGFIEIIH-XFWGSAIBSA-N 1 3 328.500 3.511 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OC)cc1 ZINC000271558766 1141397128 /nfs/dbraw/zinc/39/71/28/1141397128.db2.gz WHSGTPMJZQVNJT-PCCBWWKXSA-N 1 3 346.515 3.504 20 0 EHADHO c1[nH]nc2cc(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc12 ZINC000348631582 1141557840 /nfs/dbraw/zinc/55/78/40/1141557840.db2.gz DWDAPLKKQWDMTC-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1[nH]nc2cc(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc12 ZINC000348631582 1141557841 /nfs/dbraw/zinc/55/78/41/1141557841.db2.gz DWDAPLKKQWDMTC-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000283267850 1141581452 /nfs/dbraw/zinc/58/14/52/1141581452.db2.gz LALKYIRRGHCRRU-GHTZIAJQSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000283267850 1141581455 /nfs/dbraw/zinc/58/14/55/1141581455.db2.gz LALKYIRRGHCRRU-GHTZIAJQSA-N 1 3 347.522 3.625 20 0 EHADHO CCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349001158 1141620563 /nfs/dbraw/zinc/62/05/63/1141620563.db2.gz GXCDSPIAWIXWAV-UHFFFAOYSA-N 1 3 338.455 3.753 20 0 EHADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000035010337 213004382 /nfs/dbraw/zinc/00/43/82/213004382.db2.gz BKALWEUGQRWECH-INIZCTEOSA-N 1 3 325.294 3.974 20 0 EHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)N(C)C[C@@H]2C)nc1 ZINC001164637882 719251236 /nfs/dbraw/zinc/25/12/36/719251236.db2.gz XCJBIJNAMXEZMU-JENIJYKNSA-N 1 3 330.520 3.547 20 0 EHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)N(C)C[C@@H]2C)nc1 ZINC001164637882 719251238 /nfs/dbraw/zinc/25/12/38/719251238.db2.gz XCJBIJNAMXEZMU-JENIJYKNSA-N 1 3 330.520 3.547 20 0 EHADHO CCOc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537971572 1032071082 /nfs/dbraw/zinc/07/10/82/1032071082.db2.gz WXSCVOMOQNWXBS-KSZLIROESA-N 1 3 334.504 3.625 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000153413181 1125483984 /nfs/dbraw/zinc/48/39/84/1125483984.db2.gz UKBRVKOQKHEFGH-QYZOEREBSA-N 1 3 349.588 3.841 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000153413181 1125483991 /nfs/dbraw/zinc/48/39/91/1125483991.db2.gz UKBRVKOQKHEFGH-QYZOEREBSA-N 1 3 349.588 3.841 20 0 EHADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(C2CC2)c1 ZINC000340319491 1016938324 /nfs/dbraw/zinc/93/83/24/1016938324.db2.gz WJAMMOFZBXXRGN-MRXNPFEDSA-N 1 3 339.483 3.750 20 0 EHADHO CC(=O)Nc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924595836 1016979366 /nfs/dbraw/zinc/97/93/66/1016979366.db2.gz RYDCUFJVMSZOMK-OAHLLOKOSA-N 1 3 325.456 3.557 20 0 EHADHO C[C@H]([NH2+]Cc1cc2cccnc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449223151 1032339450 /nfs/dbraw/zinc/33/94/50/1032339450.db2.gz FBYPICILOPIDBZ-QFBILLFUSA-N 1 3 335.451 3.828 20 0 EHADHO Cc1cccc(CC[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000536858383 1032357348 /nfs/dbraw/zinc/35/73/48/1032357348.db2.gz OWNUAFZPBXOTFX-UFYCRDLUSA-N 1 3 332.532 3.795 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cc(OC)cc(C)n2)CC1)CC(C)C ZINC000536887845 1032394259 /nfs/dbraw/zinc/39/42/59/1032394259.db2.gz CRFYLCDDBTXTLE-UHFFFAOYSA-N 1 3 347.547 3.979 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cc(OC)cc(C)n2)CC1)CC(C)C ZINC000536887845 1032394268 /nfs/dbraw/zinc/39/42/68/1032394268.db2.gz CRFYLCDDBTXTLE-UHFFFAOYSA-N 1 3 347.547 3.979 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000089512895 1032544195 /nfs/dbraw/zinc/54/41/95/1032544195.db2.gz KBEQUQYBGQPSSR-CQSZACIVSA-N 1 3 343.515 3.830 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449486071 1032641585 /nfs/dbraw/zinc/64/15/85/1032641585.db2.gz SMJKMYOSEZVMKL-RXVVDRJESA-N 1 3 329.532 3.955 20 0 EHADHO CC[NH+]1CCC(CNCc2ccc(Cl)cc2Br)CC1 ZINC000149774498 1017153736 /nfs/dbraw/zinc/15/37/36/1017153736.db2.gz JRXYAOSDMMQGSY-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO Cc1oc(C(C)(C)C)cc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000892763609 1017354193 /nfs/dbraw/zinc/35/41/93/1017354193.db2.gz WBLXXKUKPLXGAW-UHFFFAOYSA-N 1 3 347.547 3.534 20 0 EHADHO Cc1cc2c(c(C)c1)[C@@H](NC1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000655732444 1017487810 /nfs/dbraw/zinc/48/78/10/1017487810.db2.gz BQNIRYVUUIMLPI-PCCBWWKXSA-N 1 3 342.527 3.648 20 0 EHADHO CC(C)C[C@@H](N)C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000415084460 1017527488 /nfs/dbraw/zinc/52/74/88/1017527488.db2.gz RIKKGOAKQAWHKL-OAQYLSRUSA-N 1 3 326.484 3.866 20 0 EHADHO C1CCC2(C1)[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@H]1CCO[C@@H]12 ZINC000122083216 1017845604 /nfs/dbraw/zinc/84/56/04/1017845604.db2.gz AMNGGSWVOUBOCH-AQNXPRMDSA-N 1 3 332.532 3.721 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(F)F)c(F)c2)C[C@H](C)O1 ZINC000893037232 1018246021 /nfs/dbraw/zinc/24/60/21/1018246021.db2.gz FMSGMHBFCPDVRB-KBPBESRZSA-N 1 3 344.421 3.742 20 0 EHADHO C[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000513099003 1019016490 /nfs/dbraw/zinc/01/64/90/1019016490.db2.gz ONSFNGAMJFZRKO-RBBKRZOGSA-N 1 3 343.559 3.753 20 0 EHADHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1SC ZINC000597977440 1032809605 /nfs/dbraw/zinc/80/96/05/1032809605.db2.gz LKBASJOROFAMDX-UHFFFAOYSA-N 1 3 336.545 3.969 20 0 EHADHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1SC ZINC000597977440 1032809620 /nfs/dbraw/zinc/80/96/20/1032809620.db2.gz LKBASJOROFAMDX-UHFFFAOYSA-N 1 3 336.545 3.969 20 0 EHADHO Cc1sc(CC[NH2+][C@H]2CCCC[C@@H]2CN)nc1-c1ccccc1 ZINC000564826173 1019426783 /nfs/dbraw/zinc/42/67/83/1019426783.db2.gz GOMBYFMAKIKSRV-SJORKVTESA-N 1 3 329.513 3.768 20 0 EHADHO CC(C)N1CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000581101529 1020429705 /nfs/dbraw/zinc/42/97/05/1020429705.db2.gz LCDJVGDTROYMER-INIZCTEOSA-N 1 3 328.422 3.870 20 0 EHADHO C[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N1CCCCCC1 ZINC000276222905 1020952097 /nfs/dbraw/zinc/95/20/97/1020952097.db2.gz QTPNAJVTXVNMJK-OAHLLOKOSA-N 1 3 328.460 3.735 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000656683677 1021171403 /nfs/dbraw/zinc/17/14/03/1021171403.db2.gz NWVDXULPROFQNK-INIZCTEOSA-N 1 3 327.447 3.784 20 0 EHADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000656784456 1021334988 /nfs/dbraw/zinc/33/49/88/1021334988.db2.gz BDPHGFSULICAOO-IBGZPJMESA-N 1 3 344.547 3.679 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1O ZINC000426403110 1021505946 /nfs/dbraw/zinc/50/59/46/1021505946.db2.gz VNNCFTIFKFDEMS-IRXDYDNUSA-N 1 3 334.504 3.576 20 0 EHADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415003456 1021611411 /nfs/dbraw/zinc/61/14/11/1021611411.db2.gz NCVLROBQROJCCF-UQASEVPWSA-N 1 3 344.449 3.879 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000519841208 1021718370 /nfs/dbraw/zinc/71/83/70/1021718370.db2.gz KWPNCBCTVWOLME-SESVDKBCSA-N 1 3 330.516 3.836 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000441052975 1021957372 /nfs/dbraw/zinc/95/73/72/1021957372.db2.gz RXKDONSCIXMIJO-AERCQKQUSA-N 1 3 349.607 3.939 20 0 EHADHO C[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)CN(C)C ZINC000425915680 1022199963 /nfs/dbraw/zinc/19/99/63/1022199963.db2.gz DJWPSISICILYAX-DNVCBOLYSA-N 1 3 331.891 3.806 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406694 1022234280 /nfs/dbraw/zinc/23/42/80/1022234280.db2.gz YVVWTMONFVIFAD-UYAOXDASSA-N 1 3 328.500 3.631 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441406694 1022234285 /nfs/dbraw/zinc/23/42/85/1022234285.db2.gz YVVWTMONFVIFAD-UYAOXDASSA-N 1 3 328.500 3.631 20 0 EHADHO CCCN(CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994667 1022420047 /nfs/dbraw/zinc/42/00/47/1022420047.db2.gz JMILFAPHHNWKMW-WCRBZPEASA-N 1 3 327.516 3.742 20 0 EHADHO CCCN(CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994667 1022420051 /nfs/dbraw/zinc/42/00/51/1022420051.db2.gz JMILFAPHHNWKMW-WCRBZPEASA-N 1 3 327.516 3.742 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000156519078 1022501389 /nfs/dbraw/zinc/50/13/89/1022501389.db2.gz OAODXDQZPJBJGB-XHBSWPGZSA-N 1 3 330.394 3.532 20 0 EHADHO FC(F)Oc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000430929492 1022888933 /nfs/dbraw/zinc/88/89/33/1022888933.db2.gz XKGKFPQRQOJUHM-UHFFFAOYSA-N 1 3 330.806 3.517 20 0 EHADHO CCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCC(C)C ZINC000506876691 1022979645 /nfs/dbraw/zinc/97/96/45/1022979645.db2.gz RPWQXHUDTFTQHI-UHFFFAOYSA-N 1 3 348.531 3.894 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000443616137 1024236795 /nfs/dbraw/zinc/23/67/95/1024236795.db2.gz LSNNHCYLUJGOOC-BEFAXECRSA-N 1 3 336.907 3.760 20 0 EHADHO CCCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1OCC ZINC000469850600 1024244731 /nfs/dbraw/zinc/24/47/31/1024244731.db2.gz FBUWJCPUDAVCRF-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000067452748 1024572440 /nfs/dbraw/zinc/57/24/40/1024572440.db2.gz GEBZBVITVOKBGZ-HUUCEWRRSA-N 1 3 344.421 3.684 20 0 EHADHO CN(c1ccccc1CN1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000435237400 1024719757 /nfs/dbraw/zinc/71/97/57/1024719757.db2.gz XRSOBBBCEUQASB-UHFFFAOYSA-N 1 3 349.522 3.775 20 0 EHADHO F[C@H]1CCc2ccccc2[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000895690155 1024725174 /nfs/dbraw/zinc/72/51/74/1024725174.db2.gz APDBGQAWZYQPJZ-VQTJNVASSA-N 1 3 325.431 3.666 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000474482694 1025038655 /nfs/dbraw/zinc/03/86/55/1025038655.db2.gz OEFYUKHTKUMLLB-QZTJIDSGSA-N 1 3 348.531 3.907 20 0 EHADHO CCCN1CCC([NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000124681016 1025107775 /nfs/dbraw/zinc/10/77/75/1025107775.db2.gz ZFOMUWGNWZDGNX-RTBURBONSA-N 1 3 343.559 3.607 20 0 EHADHO C[C@@H](CN1CCCC1)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168012409 1025108684 /nfs/dbraw/zinc/10/86/84/1025108684.db2.gz ZPSFODKVDPDAHH-HUUJSLGLSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCc2ccccn2)c1 ZINC000515671698 1025459568 /nfs/dbraw/zinc/45/95/68/1025459568.db2.gz SYHFMNOBODNFRB-CGTJXYLNSA-N 1 3 325.456 3.581 20 0 EHADHO c1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc(C2CCCC2)c1 ZINC000657365224 1025533707 /nfs/dbraw/zinc/53/37/07/1025533707.db2.gz YWXJROBTTYSFTD-LJQANCHMSA-N 1 3 342.527 3.935 20 0 EHADHO C[C@H](C[NH3+])CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414883516 1025663247 /nfs/dbraw/zinc/66/32/47/1025663247.db2.gz VFZCGPCLGHKEPK-CYBMUJFWSA-N 1 3 334.895 3.643 20 0 EHADHO Cc1ccccc1[C@H]([C@@H](C)NC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000443204907 1025810207 /nfs/dbraw/zinc/81/02/07/1025810207.db2.gz QVOYPRRBZOBAGK-XLIONFOSSA-N 1 3 331.548 3.839 20 0 EHADHO CCOc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1F ZINC000647249217 1025960679 /nfs/dbraw/zinc/96/06/79/1025960679.db2.gz KFYQRQFRUCJRCW-MOPGFXCFSA-N 1 3 342.458 3.659 20 0 EHADHO Fc1ccc(OC(F)F)c(CNCCCCC[NH+]2CCCC2)c1 ZINC000657474206 1026627200 /nfs/dbraw/zinc/62/72/00/1026627200.db2.gz BOMHFYLKGQLGTL-UHFFFAOYSA-N 1 3 330.394 3.783 20 0 EHADHO C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C[C@H](C)N1Cc1ccccc1 ZINC001168065153 1026631812 /nfs/dbraw/zinc/63/18/12/1026631812.db2.gz UDHGRSLLIRLVFV-UKBAYJJMSA-N 1 3 348.531 3.957 20 0 EHADHO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000301377879 1026782847 /nfs/dbraw/zinc/78/28/47/1026782847.db2.gz WYXBHENEIGSEDO-AWEZNQCLSA-N 1 3 347.409 3.819 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000075007765 1027096554 /nfs/dbraw/zinc/09/65/54/1027096554.db2.gz FQYAYXMAYYESTF-UHFFFAOYSA-N 1 3 348.531 3.797 20 0 EHADHO CCc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)o1 ZINC000531603260 1027097469 /nfs/dbraw/zinc/09/74/69/1027097469.db2.gz FHBCZRCBXFYEQN-UHFFFAOYSA-N 1 3 341.499 3.534 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@H](C)C1 ZINC000531708695 1027232945 /nfs/dbraw/zinc/23/29/45/1027232945.db2.gz LFTJCTCFAJHVKC-APWZRJJASA-N 1 3 331.504 3.613 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453072443 1027287434 /nfs/dbraw/zinc/28/74/34/1027287434.db2.gz YAIRACACVPHROH-YPAWHYETSA-N 1 3 335.495 3.923 20 0 EHADHO Fc1ccc(/C=C/C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612654 1027649117 /nfs/dbraw/zinc/64/91/17/1027649117.db2.gz CEWMHYMOFJBBAV-OWOJBTEDSA-N 1 3 339.458 3.736 20 0 EHADHO Fc1cc(Cl)cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613941 1027654963 /nfs/dbraw/zinc/65/49/63/1027654963.db2.gz XXUFYCQVLYWCTO-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422740567 1027907209 /nfs/dbraw/zinc/90/72/09/1027907209.db2.gz NRXDNFCLZYUGMH-BBRMVZONSA-N 1 3 337.305 3.588 20 0 EHADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnccc1N ZINC000422775478 1027933523 /nfs/dbraw/zinc/93/35/23/1027933523.db2.gz AJNVRSBUEYXAMR-KRWDZBQOSA-N 1 3 338.499 3.721 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000422799568 1027952447 /nfs/dbraw/zinc/95/24/47/1027952447.db2.gz XJRXDLUMMWSKML-QWHCGFSZSA-N 1 3 333.863 3.620 20 0 EHADHO CCc1nc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])ccc2n1C1CC1 ZINC000582839338 1027967218 /nfs/dbraw/zinc/96/72/18/1027967218.db2.gz XFXAWZJJYYKSRO-DOTOQJQBSA-N 1 3 326.488 3.541 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422825129 1027968928 /nfs/dbraw/zinc/96/89/28/1027968928.db2.gz JAPNEPXHVLXADT-KJJMTIBFSA-N 1 3 341.543 3.642 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422847661 1027987771 /nfs/dbraw/zinc/98/77/71/1027987771.db2.gz IQMXRYCDPRLADX-UBHSHLNASA-N 1 3 329.410 3.868 20 0 EHADHO CC1CCN([C@@H](C[NH2+]C2CCN(C3CC3)CC2)c2cccs2)CC1 ZINC000459363881 1027988433 /nfs/dbraw/zinc/98/84/33/1027988433.db2.gz ITZNFNYMDGPSHI-IBGZPJMESA-N 1 3 347.572 3.738 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnccc1N ZINC000422858744 1027992693 /nfs/dbraw/zinc/99/26/93/1027992693.db2.gz JCRQCIPQTFWMHA-IRXDYDNUSA-N 1 3 338.499 3.719 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnccc1N ZINC000422858744 1027992708 /nfs/dbraw/zinc/99/27/08/1027992708.db2.gz JCRQCIPQTFWMHA-IRXDYDNUSA-N 1 3 338.499 3.719 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422900710 1028037980 /nfs/dbraw/zinc/03/79/80/1028037980.db2.gz QXFMAFQIAFHSIE-CRAIPNDOSA-N 1 3 329.419 3.620 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000422931543 1028060919 /nfs/dbraw/zinc/06/09/19/1028060919.db2.gz XTTCBIQGPNQKPI-WIYYLYMNSA-N 1 3 338.451 3.866 20 0 EHADHO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C2CC2)cc1 ZINC000422934708 1028065393 /nfs/dbraw/zinc/06/53/93/1028065393.db2.gz GHLAFTOGDVKBQR-VLIAUNLRSA-N 1 3 325.456 3.659 20 0 EHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422953101 1028090342 /nfs/dbraw/zinc/09/03/42/1028090342.db2.gz DBXIORXOBGXHFP-SLFFLAALSA-N 1 3 345.556 3.568 20 0 EHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(Br)c2)CCCC1 ZINC000422994657 1028100885 /nfs/dbraw/zinc/10/08/85/1028100885.db2.gz IGBKYFYTKPOWAX-JKSUJKDBSA-N 1 3 337.305 3.730 20 0 EHADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000657689277 1028147224 /nfs/dbraw/zinc/14/72/24/1028147224.db2.gz LKTDJSGJCJIWQW-RXVVDRJESA-N 1 3 344.547 3.518 20 0 EHADHO CC[C@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)c(OC)c1 ZINC000423097745 1028182668 /nfs/dbraw/zinc/18/26/68/1028182668.db2.gz BHEIJPBTQIIJEB-KSSFIOAISA-N 1 3 343.471 3.668 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-c2ccncc2)cc1 ZINC000423191775 1028261217 /nfs/dbraw/zinc/26/12/17/1028261217.db2.gz TXTUIEHWEYYCLK-GOSISDBHSA-N 1 3 346.478 3.974 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000423193662 1028261987 /nfs/dbraw/zinc/26/19/87/1028261987.db2.gz XSJDHMGFEHADGK-AWEZNQCLSA-N 1 3 337.389 3.931 20 0 EHADHO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2cccc(-n3ccnn3)c2)cc1 ZINC000423252891 1028315006 /nfs/dbraw/zinc/31/50/06/1028315006.db2.gz YAVQZSYIXXEQNI-HRAATJIYSA-N 1 3 349.482 3.741 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423277000 1028336781 /nfs/dbraw/zinc/33/67/81/1028336781.db2.gz PGTILWSXICCGJG-KGLIPLIRSA-N 1 3 333.476 3.990 20 0 EHADHO OC1(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421378772 1028337265 /nfs/dbraw/zinc/33/72/65/1028337265.db2.gz TUHWQOQFYXAKPN-PCCBWWKXSA-N 1 3 342.527 3.572 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c(C)c1OC ZINC000423294175 1028351801 /nfs/dbraw/zinc/35/18/01/1028351801.db2.gz TXEXZOWBEUFSTH-LSDHHAIUSA-N 1 3 328.456 3.883 20 0 EHADHO COc1cc(C)c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423293942 1028352064 /nfs/dbraw/zinc/35/20/64/1028352064.db2.gz SOBJLXBQTHFDDA-LSDHHAIUSA-N 1 3 328.456 3.883 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000423296785 1028354643 /nfs/dbraw/zinc/35/46/43/1028354643.db2.gz ZVPNWCJXBCKDEC-HUUCEWRRSA-N 1 3 326.440 3.718 20 0 EHADHO Clc1ccc2c(c1Cl)OCCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000423331215 1028366333 /nfs/dbraw/zinc/36/63/33/1028366333.db2.gz CONZLCUKOHSDGC-CQSZACIVSA-N 1 3 327.255 3.716 20 0 EHADHO CCN(CC)[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccsc1 ZINC000423342464 1028377206 /nfs/dbraw/zinc/37/72/06/1028377206.db2.gz YSIDYYVWSRLULY-KSSFIOAISA-N 1 3 345.512 3.581 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423387765 1028402683 /nfs/dbraw/zinc/40/26/83/1028402683.db2.gz IEIVEBOKRXUBNG-VZEFYGNVSA-N 1 3 326.406 3.929 20 0 EHADHO Cc1cc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000423430122 1028440104 /nfs/dbraw/zinc/44/01/04/1028440104.db2.gz HXPGWQMJJRNLLM-CEWLAPEOSA-N 1 3 339.458 3.596 20 0 EHADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C1 ZINC000423505828 1028470355 /nfs/dbraw/zinc/47/03/55/1028470355.db2.gz HIUVRTAANGQAAX-XSDIEEQYSA-N 1 3 335.495 3.761 20 0 EHADHO CCN1CCC([NH2+]CC2(N(C)Cc3ccccc3)CCCCC2)CC1 ZINC000714221551 1028483922 /nfs/dbraw/zinc/48/39/22/1028483922.db2.gz XNNMSCHIMLWXLP-UHFFFAOYSA-N 1 3 343.559 3.895 20 0 EHADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CCC(F)(F)CC1 ZINC000423517769 1028491975 /nfs/dbraw/zinc/49/19/75/1028491975.db2.gz BXGKQOHZVYGCTI-RWBCNSPNSA-N 1 3 326.475 3.944 20 0 EHADHO CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647769 1028530235 /nfs/dbraw/zinc/53/02/35/1028530235.db2.gz OWZCLXRIOIPMCW-ACRUOGEOSA-N 1 3 342.527 3.788 20 0 EHADHO CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647769 1028530239 /nfs/dbraw/zinc/53/02/39/1028530239.db2.gz OWZCLXRIOIPMCW-ACRUOGEOSA-N 1 3 342.527 3.788 20 0 EHADHO CC[N@H+](CC[C@H]1CCCN1C)Cc1cccc(Br)c1 ZINC000502717610 1028593223 /nfs/dbraw/zinc/59/32/23/1028593223.db2.gz CNZLFPDQEXEVSH-MRXNPFEDSA-N 1 3 325.294 3.755 20 0 EHADHO CC[N@@H+](CC[C@H]1CCCN1C)Cc1cccc(Br)c1 ZINC000502717610 1028593231 /nfs/dbraw/zinc/59/32/31/1028593231.db2.gz CNZLFPDQEXEVSH-MRXNPFEDSA-N 1 3 325.294 3.755 20 0 EHADHO Fc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778884 1028899192 /nfs/dbraw/zinc/89/91/92/1028899192.db2.gz JMRMJXJHOHNNHX-UONOGXRCSA-N 1 3 330.369 3.666 20 0 EHADHO Oc1ccccc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249045410 1028978273 /nfs/dbraw/zinc/97/82/73/1028978273.db2.gz VYHMMXKQRRVCGK-WKCHPHFGSA-N 1 3 336.479 3.720 20 0 EHADHO Oc1ccccc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249045410 1028978291 /nfs/dbraw/zinc/97/82/91/1028978291.db2.gz VYHMMXKQRRVCGK-WKCHPHFGSA-N 1 3 336.479 3.720 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000154277745 1029080811 /nfs/dbraw/zinc/08/08/11/1029080811.db2.gz SEXNNQHJMYXQTP-FQEVSTJZSA-N 1 3 349.950 3.725 20 0 EHADHO Fc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000271958415 1029246683 /nfs/dbraw/zinc/24/66/83/1029246683.db2.gz YXXJGWOWBCQPCZ-UHFFFAOYSA-N 1 3 330.369 3.951 20 0 EHADHO CCCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414810833 1029299130 /nfs/dbraw/zinc/29/91/30/1029299130.db2.gz OPISNEJPDBTWHS-HNNXBMFYSA-N 1 3 328.456 3.794 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000414811200 1029302388 /nfs/dbraw/zinc/30/23/88/1029302388.db2.gz PEMXHRCGIGIUDM-LLVKDONJSA-N 1 3 337.236 3.898 20 0 EHADHO C[NH+](C)C1(CNCCC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000583241859 1029380364 /nfs/dbraw/zinc/38/03/64/1029380364.db2.gz PMEZSNJYWJESHE-UHFFFAOYSA-N 1 3 337.895 3.523 20 0 EHADHO Cc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272481382 1029477073 /nfs/dbraw/zinc/47/70/73/1029477073.db2.gz MFDSYRJABNTQES-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272481382 1029477078 /nfs/dbraw/zinc/47/70/78/1029477078.db2.gz MFDSYRJABNTQES-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481382 1029477086 /nfs/dbraw/zinc/47/70/86/1029477086.db2.gz MFDSYRJABNTQES-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531969140 1030175010 /nfs/dbraw/zinc/17/50/10/1030175010.db2.gz IFMBVULSKVDTLL-RDTXWAMCSA-N 1 3 331.504 3.588 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000482346969 1030345613 /nfs/dbraw/zinc/34/56/13/1030345613.db2.gz BXFOAISSNRFWBY-CVEARBPZSA-N 1 3 343.515 3.687 20 0 EHADHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N(CC)CC)cc1 ZINC000550847943 1030529552 /nfs/dbraw/zinc/52/95/52/1030529552.db2.gz QVBWLIINHLDRMU-WMQCIHAUSA-N 1 3 331.548 3.562 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000482629348 1030592965 /nfs/dbraw/zinc/59/29/65/1030592965.db2.gz MMYCLLPLEPVUQS-KAGYGMCKSA-N 1 3 341.543 3.504 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000093688387 1030661012 /nfs/dbraw/zinc/66/10/12/1030661012.db2.gz ZYILOYKFFHDBGP-UHFFFAOYSA-N 1 3 330.476 3.532 20 0 EHADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883241 1030761323 /nfs/dbraw/zinc/76/13/23/1030761323.db2.gz WVMVBJRYKLFAID-HKBOAZHASA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)c1nc(-c2ccccc2)no1 ZINC000583865824 1030996424 /nfs/dbraw/zinc/99/64/24/1030996424.db2.gz FNEGLYRROWDICU-FSPWUOQZSA-N 1 3 334.423 3.575 20 0 EHADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527860286 1031340307 /nfs/dbraw/zinc/34/03/07/1031340307.db2.gz WSXYZHVUGAWHNP-JTQLQIEISA-N 1 3 347.247 3.720 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666995531 1031442333 /nfs/dbraw/zinc/44/23/33/1031442333.db2.gz QJUKEOJRCXFNPZ-CABCVRRESA-N 1 3 349.906 3.630 20 0 EHADHO CC1(C)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1Oc1ccccc1 ZINC000551781148 1031651753 /nfs/dbraw/zinc/65/17/53/1031651753.db2.gz ODLWRESJUVSUQJ-TZJYRCSTSA-N 1 3 328.500 3.839 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)c2cccc(Br)c2)C1 ZINC000551898417 1031749269 /nfs/dbraw/zinc/74/92/69/1031749269.db2.gz UURNZAQZUXWGTF-LSDHHAIUSA-N 1 3 339.321 3.873 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000181414318 1032022100 /nfs/dbraw/zinc/02/21/00/1032022100.db2.gz OMPKOJLLZSOGOR-BDTNDASRSA-N 1 3 342.527 3.730 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000181414335 1032024421 /nfs/dbraw/zinc/02/44/21/1032024421.db2.gz OMPKOJLLZSOGOR-FSSWDIPSSA-N 1 3 342.527 3.730 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1ccccc1 ZINC000460353793 1033546486 /nfs/dbraw/zinc/54/64/86/1033546486.db2.gz RFJVIQJTQCMTMA-NGRWLJPCSA-N 1 3 338.495 3.812 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCOc1ccccc1 ZINC000460353793 1033546493 /nfs/dbraw/zinc/54/64/93/1033546493.db2.gz RFJVIQJTQCMTMA-NGRWLJPCSA-N 1 3 338.495 3.812 20 0 EHADHO CCCCN1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000550628573 1033759485 /nfs/dbraw/zinc/75/94/85/1033759485.db2.gz JGKQRQUOXIQFFN-RTWAWAEBSA-N 1 3 329.532 3.676 20 0 EHADHO CCc1ccc2[nH+]ccc(NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000450262820 1034008480 /nfs/dbraw/zinc/00/84/80/1034008480.db2.gz URUOQLSJZHZDOV-UHFFFAOYSA-N 1 3 346.478 3.691 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)CC2)ccn1 ZINC000658164882 1034030243 /nfs/dbraw/zinc/03/02/43/1034030243.db2.gz GJMXGAAQYRTGPA-NHCUHLMSSA-N 1 3 327.516 3.852 20 0 EHADHO CC[C@H](Cc1cccs1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167798 1034033295 /nfs/dbraw/zinc/03/32/95/1034033295.db2.gz UKKKVAXLXAFGHU-LJQANCHMSA-N 1 3 343.540 3.966 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230306 1034089728 /nfs/dbraw/zinc/08/97/28/1034089728.db2.gz XTHHVCFAVSTNKG-IAGOWNOFSA-N 1 3 340.515 3.881 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230306 1034089740 /nfs/dbraw/zinc/08/97/40/1034089740.db2.gz XTHHVCFAVSTNKG-IAGOWNOFSA-N 1 3 340.515 3.881 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185877 1034443226 /nfs/dbraw/zinc/44/32/26/1034443226.db2.gz QECJZTWZAVKVBQ-UNMCSNQZSA-N 1 3 346.478 3.797 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185877 1034443232 /nfs/dbraw/zinc/44/32/32/1034443232.db2.gz QECJZTWZAVKVBQ-UNMCSNQZSA-N 1 3 346.478 3.797 20 0 EHADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257375 1034481274 /nfs/dbraw/zinc/48/12/74/1034481274.db2.gz WFDSRICLLYINMB-SLFFLAALSA-N 1 3 340.515 3.913 20 0 EHADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257375 1034481282 /nfs/dbraw/zinc/48/12/82/1034481282.db2.gz WFDSRICLLYINMB-SLFFLAALSA-N 1 3 340.515 3.913 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000604997806 1034579744 /nfs/dbraw/zinc/57/97/44/1034579744.db2.gz KSXLEWMUEWCTPF-QZTJIDSGSA-N 1 3 330.516 3.570 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(CC)CC ZINC000605425229 1034724844 /nfs/dbraw/zinc/72/48/44/1034724844.db2.gz CWFZACYVUIBWIX-YLJYHZDGSA-N 1 3 345.531 3.977 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(CC)CC ZINC000605425229 1034724862 /nfs/dbraw/zinc/72/48/62/1034724862.db2.gz CWFZACYVUIBWIX-YLJYHZDGSA-N 1 3 345.531 3.977 20 0 EHADHO COc1cc2nccc(N3CCC[N@@H+](C(C)(C)C)CC3)c2cc1OC ZINC000570180592 1035113534 /nfs/dbraw/zinc/11/35/34/1035113534.db2.gz FOTSPWDNGTYPLP-UHFFFAOYSA-N 1 3 343.471 3.563 20 0 EHADHO COc1cc2nccc(N3CCC[N@H+](C(C)(C)C)CC3)c2cc1OC ZINC000570180592 1035113539 /nfs/dbraw/zinc/11/35/39/1035113539.db2.gz FOTSPWDNGTYPLP-UHFFFAOYSA-N 1 3 343.471 3.563 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000535085079 1035981367 /nfs/dbraw/zinc/98/13/67/1035981367.db2.gz IKTSWZPUJAADLA-HOTGVXAUSA-N 1 3 336.545 3.632 20 0 EHADHO COc1cc(OC)c([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000414202842 1036042311 /nfs/dbraw/zinc/04/23/11/1036042311.db2.gz ZIMMQWYSIRRSNZ-UONOGXRCSA-N 1 3 340.895 3.740 20 0 EHADHO COc1cc(OC)c([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000414202842 1036042334 /nfs/dbraw/zinc/04/23/34/1036042334.db2.gz ZIMMQWYSIRRSNZ-UONOGXRCSA-N 1 3 340.895 3.740 20 0 EHADHO Fc1ccc(OCC2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387362 1036269720 /nfs/dbraw/zinc/26/97/20/1036269720.db2.gz FTPAVDVTWRQYCI-UHFFFAOYSA-N 1 3 346.490 3.791 20 0 EHADHO CCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000892595986 1036439210 /nfs/dbraw/zinc/43/92/10/1036439210.db2.gz CQZCTGRSNJLBFY-MIGBEJBISA-N 1 3 332.488 3.760 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000414303815 1036545799 /nfs/dbraw/zinc/54/57/99/1036545799.db2.gz DSCHBPDCTNGFQB-BLIXFSHQSA-N 1 3 348.506 3.534 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000542150678 1037115524 /nfs/dbraw/zinc/11/55/24/1037115524.db2.gz DSCWGLKNSOWUPO-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000542150678 1037115530 /nfs/dbraw/zinc/11/55/30/1037115530.db2.gz DSCWGLKNSOWUPO-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO CCc1ccccc1[C@H](N)C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423503138 1037516130 /nfs/dbraw/zinc/51/61/30/1037516130.db2.gz MPKFKDOCPLQDCT-NNWRFLSQSA-N 1 3 337.511 3.674 20 0 EHADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OCc1ccccc1 ZINC000491600116 1037577990 /nfs/dbraw/zinc/57/79/90/1037577990.db2.gz YVFBUCGTXOESMV-QGZVFWFLSA-N 1 3 342.483 3.562 20 0 EHADHO Cc1ccc(C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000540172823 1037641432 /nfs/dbraw/zinc/64/14/32/1037641432.db2.gz XOEKSLONDMHJSC-JQVVWYNYSA-N 1 3 344.543 3.795 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCCCC2)CCN1Cc1ccccc1 ZINC000463140170 1037804507 /nfs/dbraw/zinc/80/45/07/1037804507.db2.gz VFBWHSBTMAHHDZ-TZIWHRDSSA-N 1 3 329.532 3.505 20 0 EHADHO CCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OCC ZINC000124149040 1038145329 /nfs/dbraw/zinc/14/53/29/1038145329.db2.gz XXWZQAOWRPCIIP-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO CSc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000549400220 1038166608 /nfs/dbraw/zinc/16/66/08/1038166608.db2.gz PWRVROUTEWLKCI-IAGOWNOFSA-N 1 3 348.556 3.730 20 0 EHADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001168258597 1038314697 /nfs/dbraw/zinc/31/46/97/1038314697.db2.gz AVJSTFWUANZEHM-DYESRHJHSA-N 1 3 340.511 3.573 20 0 EHADHO COc1ccc2c(c1)C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001168258597 1038314715 /nfs/dbraw/zinc/31/47/15/1038314715.db2.gz AVJSTFWUANZEHM-DYESRHJHSA-N 1 3 340.511 3.573 20 0 EHADHO CCc1onc(C)c1CNCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000893226459 1038587927 /nfs/dbraw/zinc/58/79/27/1038587927.db2.gz RJZQZJLRGJYYCR-QFBILLFUSA-N 1 3 341.499 3.936 20 0 EHADHO CCc1onc(C)c1CNCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226459 1038587930 /nfs/dbraw/zinc/58/79/30/1038587930.db2.gz RJZQZJLRGJYYCR-QFBILLFUSA-N 1 3 341.499 3.936 20 0 EHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924682229 1038653813 /nfs/dbraw/zinc/65/38/13/1038653813.db2.gz BDVWOPHASWLFTA-KZNAEPCWSA-N 1 3 332.536 3.628 20 0 EHADHO C[C@H]1C[C@@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000183323173 1038697410 /nfs/dbraw/zinc/69/74/10/1038697410.db2.gz GGFLRGHLNFUQBV-WFASDCNBSA-N 1 3 331.287 3.582 20 0 EHADHO C[C@H]1C[C@@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323173 1038697415 /nfs/dbraw/zinc/69/74/15/1038697415.db2.gz GGFLRGHLNFUQBV-WFASDCNBSA-N 1 3 331.287 3.582 20 0 EHADHO CC[C@H]([NH2+]C[C@@H](C)N)c1ccc(Br)cc1C(F)(F)F ZINC000643527271 1039128885 /nfs/dbraw/zinc/12/88/85/1039128885.db2.gz KVAYXMXMXBHBOZ-PELKAZGASA-N 1 3 339.199 3.856 20 0 EHADHO COc1cccc(SCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113676 1039197614 /nfs/dbraw/zinc/19/76/14/1039197614.db2.gz COCVVIASBRGNLQ-OXQOHEQNSA-N 1 3 346.540 3.736 20 0 EHADHO COc1cccc(SCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113676 1039197628 /nfs/dbraw/zinc/19/76/28/1039197628.db2.gz COCVVIASBRGNLQ-OXQOHEQNSA-N 1 3 346.540 3.736 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485703113 1039450230 /nfs/dbraw/zinc/45/02/30/1039450230.db2.gz FJZRBTKXCGBUGH-KDOFPFPSSA-N 1 3 342.886 3.706 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562781 1040088943 /nfs/dbraw/zinc/08/89/43/1040088943.db2.gz VZRRYJPDUZFHER-OXJNMPFZSA-N 1 3 328.500 3.711 20 0 EHADHO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646192 1040306161 /nfs/dbraw/zinc/30/61/61/1040306161.db2.gz RNPIWVFZUNBUSR-UGSOOPFHSA-N 1 3 347.409 3.675 20 0 EHADHO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c2cc(OC(F)F)ccc2n1 ZINC000486646192 1040306177 /nfs/dbraw/zinc/30/61/77/1040306177.db2.gz RNPIWVFZUNBUSR-UGSOOPFHSA-N 1 3 347.409 3.675 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC4CCCC4)[C@H]3C2)cc1 ZINC000512624148 1040331070 /nfs/dbraw/zinc/33/10/70/1040331070.db2.gz HXKRBRMLVGVBPK-BVSLBCMMSA-N 1 3 342.527 3.836 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCOC4CCCC4)[C@@H]3C2)cc1 ZINC000512624151 1040331288 /nfs/dbraw/zinc/33/12/88/1040331288.db2.gz HXKRBRMLVGVBPK-KSEOMHKRSA-N 1 3 342.527 3.836 20 0 EHADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000166539933 1040332368 /nfs/dbraw/zinc/33/23/68/1040332368.db2.gz NFVBGEWIRUNUIL-ZDUSSCGKSA-N 1 3 348.288 3.558 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667843889 1040532693 /nfs/dbraw/zinc/53/26/93/1040532693.db2.gz RCRAEFDKPSGURB-UYAOXDASSA-N 1 3 348.918 3.709 20 0 EHADHO Cc1cscc1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000487150880 1040725034 /nfs/dbraw/zinc/72/50/34/1040725034.db2.gz HEZMQLINPPVDCT-UHFFFAOYSA-N 1 3 349.931 3.752 20 0 EHADHO c1ccc(CN2C[C@H](C[NH2+]C3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000549881778 1040894922 /nfs/dbraw/zinc/89/49/22/1040894922.db2.gz AGZJSGWNEMZLHD-FQEVSTJZSA-N 1 3 342.527 3.838 20 0 EHADHO CC(C)c1nc(CNCC2CC[NH+](CC3CC3)CC2)c2ccccn21 ZINC000668782833 1040992572 /nfs/dbraw/zinc/99/25/72/1040992572.db2.gz GMXPLGBTOPKPHN-UHFFFAOYSA-N 1 3 340.515 3.669 20 0 EHADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000509825005 1041126210 /nfs/dbraw/zinc/12/62/10/1041126210.db2.gz CMQATYIBIPHAPO-QGOAFFKASA-N 1 3 330.516 3.946 20 0 EHADHO C[C@H]1CN(CCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCCO1 ZINC000651786344 1042032690 /nfs/dbraw/zinc/03/26/90/1042032690.db2.gz SZGMTJWFCQMKPN-BBRMVZONSA-N 1 3 340.870 3.557 20 0 EHADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662150786 1042546166 /nfs/dbraw/zinc/54/61/66/1042546166.db2.gz BBZLSCOQUSOREG-JXFKEZNVSA-N 1 3 330.516 3.576 20 0 EHADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000643294925 1043350335 /nfs/dbraw/zinc/35/03/35/1043350335.db2.gz RWIAEHRYDPRUAP-INIZCTEOSA-N 1 3 344.421 3.791 20 0 EHADHO CN(c1ccccc1CN[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000279208733 1043568402 /nfs/dbraw/zinc/56/84/02/1043568402.db2.gz VURPFJCHDODLLA-JOCHJYFZSA-N 1 3 349.522 3.994 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000512188040 1043754262 /nfs/dbraw/zinc/75/42/62/1043754262.db2.gz UZEYKWCCVWUHDI-OALUTQOASA-N 1 3 330.516 3.625 20 0 EHADHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282575283 1044762215 /nfs/dbraw/zinc/76/22/15/1044762215.db2.gz ZEHCBNUFMNOMCP-OAQYLSRUSA-N 1 3 343.559 3.750 20 0 EHADHO FC(F)(F)COc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000620757961 1125695587 /nfs/dbraw/zinc/69/55/87/1125695587.db2.gz ICMPNUJBJHZXMV-UHFFFAOYSA-N 1 3 342.405 3.734 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000623441150 1126956130 /nfs/dbraw/zinc/95/61/30/1126956130.db2.gz FRMFHIKVUBFFHT-HOJAQTOUSA-N 1 3 329.532 3.502 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1(C)C ZINC000623470626 1126962951 /nfs/dbraw/zinc/96/29/51/1126962951.db2.gz TXSJZHWFUVPOCC-MRXNPFEDSA-N 1 3 344.421 3.728 20 0 EHADHO CN1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476238 1126963791 /nfs/dbraw/zinc/96/37/91/1126963791.db2.gz UHUPUELOWPFPCW-SQNIBIBYSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476238 1126963794 /nfs/dbraw/zinc/96/37/94/1126963794.db2.gz UHUPUELOWPFPCW-SQNIBIBYSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623476238 1126963797 /nfs/dbraw/zinc/96/37/97/1126963797.db2.gz UHUPUELOWPFPCW-SQNIBIBYSA-N 1 3 335.923 3.548 20 0 EHADHO Cc1ccc(Br)cc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623502857 1126972101 /nfs/dbraw/zinc/97/21/01/1126972101.db2.gz BGEXUCGODAAKMD-HNNXBMFYSA-N 1 3 325.294 3.720 20 0 EHADHO CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525546 1126975123 /nfs/dbraw/zinc/97/51/23/1126975123.db2.gz RCNAMLBKVTYYHL-ICSRJNTNSA-N 1 3 347.547 3.539 20 0 EHADHO CC(C)Oc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525546 1126975126 /nfs/dbraw/zinc/97/51/26/1126975126.db2.gz RCNAMLBKVTYYHL-ICSRJNTNSA-N 1 3 347.547 3.539 20 0 EHADHO CN1CC[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000623537876 1126979813 /nfs/dbraw/zinc/97/98/13/1126979813.db2.gz MBIZJVBFCCKMHE-CVEARBPZSA-N 1 3 344.421 3.591 20 0 EHADHO C[C@@H]1C[C@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@@H+]1C ZINC000180440887 1127156060 /nfs/dbraw/zinc/15/60/60/1127156060.db2.gz TWYBYVSHSBAGCS-CZUORRHYSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H]1C[C@H](NC2(c3ccc(Br)cc3)CCC2)CC[N@H+]1C ZINC000180440887 1127156063 /nfs/dbraw/zinc/15/60/63/1127156063.db2.gz TWYBYVSHSBAGCS-CZUORRHYSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123238 1127256526 /nfs/dbraw/zinc/25/65/26/1127256526.db2.gz IJGWCANKZXAZJZ-GDBMZVCRSA-N 1 3 328.422 3.958 20 0 EHADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624225358 1127325669 /nfs/dbraw/zinc/32/56/69/1127325669.db2.gz QSUJYONTKYJVMC-MRXNPFEDSA-N 1 3 339.886 3.522 20 0 EHADHO Cc1cnn(CCCCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185762391 1127431218 /nfs/dbraw/zinc/43/12/18/1127431218.db2.gz AVDUKIWJQYGMNH-MOPGFXCFSA-N 1 3 332.536 3.604 20 0 EHADHO COc1ccc(OCCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000185758827 1127431639 /nfs/dbraw/zinc/43/16/39/1127431639.db2.gz FUVOFRWECQSSPN-QZTJIDSGSA-N 1 3 346.515 3.707 20 0 EHADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000091312757 1128457879 /nfs/dbraw/zinc/45/78/79/1128457879.db2.gz WLEFPLPDULACCG-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000091312757 1128457882 /nfs/dbraw/zinc/45/78/82/1128457882.db2.gz WLEFPLPDULACCG-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000091312757 1128457884 /nfs/dbraw/zinc/45/78/84/1128457884.db2.gz WLEFPLPDULACCG-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO Fc1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855123 1128507560 /nfs/dbraw/zinc/50/75/60/1128507560.db2.gz CKMBNRZTQNJDTJ-HUUCEWRRSA-N 1 3 328.378 3.534 20 0 EHADHO Fc1cc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855123 1128507563 /nfs/dbraw/zinc/50/75/63/1128507563.db2.gz CKMBNRZTQNJDTJ-HUUCEWRRSA-N 1 3 328.378 3.534 20 0 EHADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000251696940 1128797450 /nfs/dbraw/zinc/79/74/50/1128797450.db2.gz MORRPCIAMGFNEI-CORIIIEPSA-N 1 3 341.293 3.626 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000192765357 1120748072 /nfs/dbraw/zinc/74/80/72/1120748072.db2.gz CYKHUMKGVJZQNF-QFIPXVFZSA-N 1 3 341.543 3.554 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000192765357 1120748078 /nfs/dbraw/zinc/74/80/78/1120748078.db2.gz CYKHUMKGVJZQNF-QFIPXVFZSA-N 1 3 341.543 3.554 20 0 EHADHO c1nc(-c2ccccc2)[nH]c1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192928330 1120753848 /nfs/dbraw/zinc/75/38/48/1120753848.db2.gz RTOUWWGZOCIETI-IBGZPJMESA-N 1 3 346.478 3.688 20 0 EHADHO c1nc(-c2ccccc2)[nH]c1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192928330 1120753852 /nfs/dbraw/zinc/75/38/52/1120753852.db2.gz RTOUWWGZOCIETI-IBGZPJMESA-N 1 3 346.478 3.688 20 0 EHADHO CN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C(C)(C)C ZINC000556094025 1122809584 /nfs/dbraw/zinc/80/95/84/1122809584.db2.gz ONFCPBFQSAKMEZ-AQNXPRMDSA-N 1 3 331.548 3.778 20 0 EHADHO COCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556858884 1123155491 /nfs/dbraw/zinc/15/54/91/1123155491.db2.gz OWOYYAINHHHATQ-PCCBWWKXSA-N 1 3 330.516 3.693 20 0 EHADHO CC(C)[NH+](CCCNC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000074334276 1123294008 /nfs/dbraw/zinc/29/40/08/1123294008.db2.gz HBANYUDXPBCUSA-UHFFFAOYSA-N 1 3 345.531 3.521 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000237667746 1123531785 /nfs/dbraw/zinc/53/17/85/1123531785.db2.gz MOOMJDGCBIYDHZ-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO Clc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Br ZINC000137073820 1123748874 /nfs/dbraw/zinc/74/88/74/1123748874.db2.gz QWQBNAIIMYSKJH-GFCCVEGCSA-N 1 3 343.696 3.676 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C)C1 ZINC000246920337 1124565880 /nfs/dbraw/zinc/56/58/80/1124565880.db2.gz GRYSJHVKSFOPRG-HNAYVOBHSA-N 1 3 343.446 3.833 20 0 EHADHO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248411042 1124659263 /nfs/dbraw/zinc/65/92/63/1124659263.db2.gz HVPAIMYUZUGIKR-MTFMMBMASA-N 1 3 330.516 3.690 20 0 EHADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248881415 1124711917 /nfs/dbraw/zinc/71/19/17/1124711917.db2.gz OVXROCKBDLRLSX-PWRODBHTSA-N 1 3 344.543 3.939 20 0 EHADHO C[NH+]1CCC(CN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000089701567 1124839641 /nfs/dbraw/zinc/83/96/41/1124839641.db2.gz PNNWHIWXDPNVOO-OAHLLOKOSA-N 1 3 341.268 3.507 20 0 EHADHO COCCCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182455096 1125297247 /nfs/dbraw/zinc/29/72/47/1125297247.db2.gz WHZHHMUMPDYKGU-KRWDZBQOSA-N 1 3 334.504 3.758 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)ccc1OC ZINC000183098658 1125443598 /nfs/dbraw/zinc/44/35/98/1125443598.db2.gz LIPYDEYKKZDQFW-UZLBHIALSA-N 1 3 334.504 3.757 20 0 EHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000766045235 1129926879 /nfs/dbraw/zinc/92/68/79/1129926879.db2.gz RGARISVBUMXEHP-QFBILLFUSA-N 1 3 345.531 3.830 20 0 EHADHO COC1CC[NH+](C2CCN([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172567037 1131775522 /nfs/dbraw/zinc/77/55/22/1131775522.db2.gz BMCRMIXHUYHHGT-TZIWHRDSSA-N 1 3 342.527 3.898 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001172746959 1131830057 /nfs/dbraw/zinc/83/00/57/1131830057.db2.gz WWEODDOLJBSAFX-QGZVFWFLSA-N 1 3 338.536 3.741 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172746959 1131830063 /nfs/dbraw/zinc/83/00/63/1131830063.db2.gz WWEODDOLJBSAFX-QGZVFWFLSA-N 1 3 338.536 3.741 20 0 EHADHO CCCOC1CCC(N2CCC([NH3+])(c3ccccc3OC)CC2)CC1 ZINC001173094389 1131951852 /nfs/dbraw/zinc/95/18/52/1131951852.db2.gz WWFYLCGGKBCQBJ-UHFFFAOYSA-N 1 3 346.515 3.683 20 0 EHADHO CCCN1C[C@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]2C1 ZINC001173206139 1132011404 /nfs/dbraw/zinc/01/14/04/1132011404.db2.gz NXWYOGVMGMGAAR-DENAFPEJSA-N 1 3 328.500 3.650 20 0 EHADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC001173651964 1132122652 /nfs/dbraw/zinc/12/26/52/1132122652.db2.gz POTDGVQIGDXNEM-QWFCFKBJSA-N 1 3 348.531 3.519 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001169098576 1132654270 /nfs/dbraw/zinc/65/42/70/1132654270.db2.gz IPQKPFUVHZOTMN-WKCHPHFGSA-N 1 3 336.479 3.980 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101104 1132655603 /nfs/dbraw/zinc/65/56/03/1132655603.db2.gz OKYDBJLRPUMBAQ-YSTOQKLRSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101104 1132655605 /nfs/dbraw/zinc/65/56/05/1132655605.db2.gz OKYDBJLRPUMBAQ-YSTOQKLRSA-N 1 3 332.463 3.508 20 0 EHADHO C[C@@H]1OC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc21 ZINC001169160803 1132683500 /nfs/dbraw/zinc/68/35/00/1132683500.db2.gz LKJYLVCRYDSWFH-WNRNVDISSA-N 1 3 326.484 3.694 20 0 EHADHO C[C@@H]1OC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160803 1132683504 /nfs/dbraw/zinc/68/35/04/1132683504.db2.gz LKJYLVCRYDSWFH-WNRNVDISSA-N 1 3 326.484 3.694 20 0 EHADHO c1ccc(CN2CC=C(Nc3c[nH+]ccc3N3CCCC3)CC2)cc1 ZINC001175504844 1132692067 /nfs/dbraw/zinc/69/20/67/1132692067.db2.gz GPPGQUNUIFHHDD-UHFFFAOYSA-N 1 3 334.467 3.884 20 0 EHADHO CC[NH+]1CCC(N(C)[C@H](C)c2cccc(Br)c2)CC1 ZINC001169264906 1132705719 /nfs/dbraw/zinc/70/57/19/1132705719.db2.gz SXEZOAQVQLIESO-CYBMUJFWSA-N 1 3 325.294 3.926 20 0 EHADHO CCN1CCN(c2ccc(Nc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC001175780511 1132764296 /nfs/dbraw/zinc/76/42/96/1132764296.db2.gz GQSCIUFMOGJCBW-UHFFFAOYSA-N 1 3 338.499 3.634 20 0 EHADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001177267759 1133050480 /nfs/dbraw/zinc/05/04/80/1133050480.db2.gz NRRMODNJOYRFKI-DENIHFKCSA-N 1 3 341.543 3.516 20 0 EHADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC001177267762 1133050704 /nfs/dbraw/zinc/05/07/04/1133050704.db2.gz NRRMODNJOYRFKI-UGKGYDQZSA-N 1 3 341.543 3.516 20 0 EHADHO C[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@@H]1O ZINC001181505424 1133494815 /nfs/dbraw/zinc/49/48/15/1133494815.db2.gz GRIARWNCUKFVIJ-KAGYGMCKSA-N 1 3 344.543 3.628 20 0 EHADHO C[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@@H]1O ZINC001181505424 1133494818 /nfs/dbraw/zinc/49/48/18/1133494818.db2.gz GRIARWNCUKFVIJ-KAGYGMCKSA-N 1 3 344.543 3.628 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCCCC2 ZINC001183094852 1133768268 /nfs/dbraw/zinc/76/82/68/1133768268.db2.gz LYKQDAZYOAAYBQ-HSALFYBXSA-N 1 3 334.548 3.826 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881071 1134097948 /nfs/dbraw/zinc/09/79/48/1134097948.db2.gz OSSDZCRPJVSWMV-SFTDATJTSA-N 1 3 326.484 3.667 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(C[C@@H]4CCC=CO4)C3)C2)cc1 ZINC000774881071 1134097956 /nfs/dbraw/zinc/09/79/56/1134097956.db2.gz OSSDZCRPJVSWMV-SFTDATJTSA-N 1 3 326.484 3.667 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1CN1CCCCC1 ZINC000775384420 1134696866 /nfs/dbraw/zinc/69/68/66/1134696866.db2.gz SSCOUWAHNLPMHE-PXNSSMCTSA-N 1 3 346.515 3.901 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1CN1CCCCC1 ZINC000775391565 1134709282 /nfs/dbraw/zinc/70/92/82/1134709282.db2.gz DDIMCQYYZLFBAO-YQVWRLOYSA-N 1 3 346.515 3.757 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)cc1CN1CCCCC1 ZINC000775421786 1134766402 /nfs/dbraw/zinc/76/64/02/1134766402.db2.gz JKMQDKNDLUDEIC-QZTJIDSGSA-N 1 3 348.531 3.740 20 0 EHADHO CN(Cc1c[nH]nc1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738743 1135883291 /nfs/dbraw/zinc/88/32/91/1135883291.db2.gz HNDAXAXTKJONIG-UHFFFAOYSA-N 1 3 334.467 3.770 20 0 EHADHO CC[C@H](C)Oc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1OC ZINC001199414231 1135904726 /nfs/dbraw/zinc/90/47/26/1135904726.db2.gz VQUZVORRZBVDMB-INIZCTEOSA-N 1 3 346.515 3.837 20 0 EHADHO Brc1c2ccccc2oc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000852746857 1136483009 /nfs/dbraw/zinc/48/30/09/1136483009.db2.gz SBAXKAJUXLYMMZ-UHFFFAOYSA-N 1 3 349.272 3.771 20 0 EHADHO c1ccc([C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240615 1136521291 /nfs/dbraw/zinc/52/12/91/1136521291.db2.gz PHZZKTPRPMNDNT-UGKGYDQZSA-N 1 3 342.527 3.866 20 0 EHADHO CCC(CC)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559098 1136794749 /nfs/dbraw/zinc/79/47/49/1136794749.db2.gz MKILLQMTWJDBRA-HXUWFJFHSA-N 1 3 333.520 3.811 20 0 EHADHO CCC(CC)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559098 1136794753 /nfs/dbraw/zinc/79/47/53/1136794753.db2.gz MKILLQMTWJDBRA-HXUWFJFHSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC3CCCC3)C2)ccn1 ZINC000856600043 1136798232 /nfs/dbraw/zinc/79/82/32/1136798232.db2.gz PYICGJZTGVEFIK-OAQYLSRUSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3CCCC3)C2)ccn1 ZINC000856600043 1136798236 /nfs/dbraw/zinc/79/82/36/1136798236.db2.gz PYICGJZTGVEFIK-OAQYLSRUSA-N 1 3 345.531 3.955 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000173360023 1136839857 /nfs/dbraw/zinc/83/98/57/1136839857.db2.gz NBNVZPKOUSZZLK-KFWWJZLASA-N 1 3 326.431 3.505 20 0 EHADHO COc1ccc2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CCCS2 ZINC000817947569 1136850024 /nfs/dbraw/zinc/85/00/24/1136850024.db2.gz AYSFGFGEJHEMDA-IBGZPJMESA-N 1 3 342.508 3.913 20 0 EHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000817949890 1136850661 /nfs/dbraw/zinc/85/06/61/1136850661.db2.gz SXPFHXOCPJTQNB-GOSISDBHSA-N 1 3 330.859 3.845 20 0 EHADHO Cc1ccccc1[C@@H](O)CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000819078929 1136911248 /nfs/dbraw/zinc/91/12/48/1136911248.db2.gz OFVGTFDFFWSYHN-GCJKJVERSA-N 1 3 338.495 3.844 20 0 EHADHO CCOc1c(F)cc(CN(C)CC2CC[NH+](C(C)C)CC2)cc1F ZINC001144026823 1137230294 /nfs/dbraw/zinc/23/02/94/1137230294.db2.gz QMOKAUFVFVQNFS-UHFFFAOYSA-N 1 3 340.458 3.916 20 0 EHADHO C[NH+](C)C[C@@]12C[C@@H]1CN([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001171171334 1137282045 /nfs/dbraw/zinc/28/20/45/1137282045.db2.gz FTJHDBZILISGDD-RVKKMQEKSA-N 1 3 339.310 3.734 20 0 EHADHO Cc1c(Cl)cccc1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000865496550 1137288840 /nfs/dbraw/zinc/28/88/40/1137288840.db2.gz WFZDOGCABJXVLY-RBUKOAKNSA-N 1 3 336.907 3.506 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2cn(C3CC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000865510018 1137290061 /nfs/dbraw/zinc/29/00/61/1137290061.db2.gz RCIQZYSRWAMDSE-PKOBYXMFSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510018 1137290062 /nfs/dbraw/zinc/29/00/62/1137290062.db2.gz RCIQZYSRWAMDSE-PKOBYXMFSA-N 1 3 338.499 3.608 20 0 EHADHO CCn1c2ccccc2nc1CNCCC1CC[NH+](C(C)C)CC1 ZINC000865717084 1137306596 /nfs/dbraw/zinc/30/65/96/1137306596.db2.gz NNTZVPYYJKGNQR-UHFFFAOYSA-N 1 3 328.504 3.656 20 0 EHADHO CC(C)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000866239630 1137338286 /nfs/dbraw/zinc/33/82/86/1137338286.db2.gz YQONDNKSDVDEJL-HXUWFJFHSA-N 1 3 327.472 3.509 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccn1 ZINC000866257059 1137339878 /nfs/dbraw/zinc/33/98/78/1137339878.db2.gz FBOODCIYLCSUMZ-UNMCSNQZSA-N 1 3 337.511 3.933 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866510730 1137359829 /nfs/dbraw/zinc/35/98/29/1137359829.db2.gz PDXFRRUAKXUGFS-FPOVZHCZSA-N 1 3 334.548 3.826 20 0 EHADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000122982626 1137479790 /nfs/dbraw/zinc/47/97/90/1137479790.db2.gz SVLFYTXRRGQCDH-QGZVFWFLSA-N 1 3 330.516 3.958 20 0 EHADHO Cc1cnc2n1CCC21CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171634767 1137504089 /nfs/dbraw/zinc/50/40/89/1137504089.db2.gz GCNWRJVROVBBSQ-UHFFFAOYSA-N 1 3 344.547 3.580 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637470 1137504203 /nfs/dbraw/zinc/50/42/03/1137504203.db2.gz OQEJWZGJHQFAGA-HNNXBMFYSA-N 1 3 338.536 3.692 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637470 1137504204 /nfs/dbraw/zinc/50/42/04/1137504204.db2.gz OQEJWZGJHQFAGA-HNNXBMFYSA-N 1 3 338.536 3.692 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171637470 1137504206 /nfs/dbraw/zinc/50/42/06/1137504206.db2.gz OQEJWZGJHQFAGA-HNNXBMFYSA-N 1 3 338.536 3.692 20 0 EHADHO CN(CCCC(=O)c1cccnc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639791 1137504537 /nfs/dbraw/zinc/50/45/37/1137504537.db2.gz UEWLILFJVAMESQ-UHFFFAOYSA-N 1 3 331.504 3.628 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](OCc3ccccc3)C2)CC1(C)C ZINC001171638485 1137504567 /nfs/dbraw/zinc/50/45/67/1137504567.db2.gz ZEPAVHBUULVLME-IBGZPJMESA-N 1 3 330.516 3.929 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1(C)C ZINC001171638485 1137504568 /nfs/dbraw/zinc/50/45/68/1137504568.db2.gz ZEPAVHBUULVLME-IBGZPJMESA-N 1 3 330.516 3.929 20 0 EHADHO CC1(C)C[C@@H](NCCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171977106 1137525137 /nfs/dbraw/zinc/52/51/37/1137525137.db2.gz XHNOSNDBOXGJPD-VQTJNVASSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@@H](NCCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977106 1137525139 /nfs/dbraw/zinc/52/51/39/1137525139.db2.gz XHNOSNDBOXGJPD-VQTJNVASSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@@H]3CCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979670 1137526236 /nfs/dbraw/zinc/52/62/36/1137526236.db2.gz FIBGMOTZHODRJM-AABGKKOBSA-N 1 3 328.500 3.540 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979670 1137526237 /nfs/dbraw/zinc/52/62/37/1137526237.db2.gz FIBGMOTZHODRJM-AABGKKOBSA-N 1 3 328.500 3.540 20 0 EHADHO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172073863 1137530189 /nfs/dbraw/zinc/53/01/89/1137530189.db2.gz DNCWWXVWXHSEPF-LRSLUSHPSA-N 1 3 341.543 3.598 20 0 EHADHO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172073863 1137530190 /nfs/dbraw/zinc/53/01/90/1137530190.db2.gz DNCWWXVWXHSEPF-LRSLUSHPSA-N 1 3 341.543 3.598 20 0 EHADHO CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062698 1137533242 /nfs/dbraw/zinc/53/32/42/1137533242.db2.gz QSNOQJLDWVWZGN-YUMYIRISSA-N 1 3 341.543 3.646 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128530 1137535383 /nfs/dbraw/zinc/53/53/83/1137535383.db2.gz SBQWDSOAQWZUAY-ZSHCYNCHSA-N 1 3 349.906 3.594 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128530 1137535385 /nfs/dbraw/zinc/53/53/85/1137535385.db2.gz SBQWDSOAQWZUAY-ZSHCYNCHSA-N 1 3 349.906 3.594 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(OC(F)(F)F)c1)C2 ZINC001172102761 1137536576 /nfs/dbraw/zinc/53/65/76/1137536576.db2.gz OUENQPVJTNUGDO-QKDCVEJESA-N 1 3 328.378 3.690 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(OC(F)(F)F)c1)C2 ZINC001172102761 1137536578 /nfs/dbraw/zinc/53/65/78/1137536578.db2.gz OUENQPVJTNUGDO-QKDCVEJESA-N 1 3 328.378 3.690 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC001172102761 1137536580 /nfs/dbraw/zinc/53/65/80/1137536580.db2.gz OUENQPVJTNUGDO-QKDCVEJESA-N 1 3 328.378 3.690 20 0 EHADHO COCCC[NH+]1CCC(NCc2ccc(C)c3ccccc23)CC1 ZINC001172246376 1137544387 /nfs/dbraw/zinc/54/43/87/1137544387.db2.gz CKYFNNAOQNMSNK-UHFFFAOYSA-N 1 3 326.484 3.739 20 0 EHADHO COc1ccc([C@H]2CCCN2Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873200536 1137593770 /nfs/dbraw/zinc/59/37/70/1137593770.db2.gz CBWVVZMJGVODDP-GOSISDBHSA-N 1 3 328.481 3.740 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000873224244 1137594399 /nfs/dbraw/zinc/59/43/99/1137594399.db2.gz XZPLRAGSHPXLJO-HXUWFJFHSA-N 1 3 326.488 3.582 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000873274592 1137596095 /nfs/dbraw/zinc/59/60/95/1137596095.db2.gz FBFJIAVPWZUQTM-IERDGZPVSA-N 1 3 338.499 3.696 20 0 EHADHO CC(C)n1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001137080677 1137616206 /nfs/dbraw/zinc/61/62/06/1137616206.db2.gz OACOJNLYTYMJFT-UHFFFAOYSA-N 1 3 338.499 3.562 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc4c(ccnc4Cl)o3)C2)CC1 ZINC000877528759 1137679792 /nfs/dbraw/zinc/67/97/92/1137679792.db2.gz JTLQIFAJGBIEKO-CQSZACIVSA-N 1 3 333.863 3.645 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000877684354 1137685761 /nfs/dbraw/zinc/68/57/61/1137685761.db2.gz NEUODLJAQNSVFE-UHFFFAOYSA-N 1 3 331.485 3.711 20 0 EHADHO c1ccc([C@@H]2CCC[C@H](CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)O2)cc1 ZINC000883430627 1137860511 /nfs/dbraw/zinc/86/05/11/1137860511.db2.gz YXLZSFSVWDFKBG-WOZUAGRISA-N 1 3 328.500 3.761 20 0 EHADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000333125279 1137956100 /nfs/dbraw/zinc/95/61/00/1137956100.db2.gz IWUGKNJAHVKQDO-KBXCAEBGSA-N 1 3 348.874 3.805 20 0 EHADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000333211097 1137958332 /nfs/dbraw/zinc/95/83/32/1137958332.db2.gz ZROBXATVDVKKQK-AEFFLSMTSA-N 1 3 348.874 3.805 20 0 EHADHO C[C@@H]1CN(C/C(Br)=C/c2ccccc2)CCC[C@H]1C[NH3+] ZINC001205980825 1137959235 /nfs/dbraw/zinc/95/92/35/1137959235.db2.gz AIOHTWWYQITEOW-JZSRGSOXSA-N 1 3 337.305 3.729 20 0 EHADHO CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886534523 1138092229 /nfs/dbraw/zinc/09/22/29/1138092229.db2.gz KASZEMIQQBUUPN-QESAQDPVSA-N 1 3 342.527 3.834 20 0 EHADHO COCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886540913 1138093610 /nfs/dbraw/zinc/09/36/10/1138093610.db2.gz MQJDOXZZMDWCIS-HBMCJLEFSA-N 1 3 342.527 3.836 20 0 EHADHO COC1([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886626464 1138103527 /nfs/dbraw/zinc/10/35/27/1138103527.db2.gz BXJSILMZDGPPQO-LEAZDLGRSA-N 1 3 328.500 3.587 20 0 EHADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000090522444 1138211000 /nfs/dbraw/zinc/21/10/00/1138211000.db2.gz CWROBDVIWZEKMY-QRVBRYPASA-N 1 3 346.540 3.581 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000123956364 1138276657 /nfs/dbraw/zinc/27/66/57/1138276657.db2.gz WFQPXMAQYGYKIF-VOIUYBSRSA-N 1 3 344.524 3.727 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000123956364 1138276659 /nfs/dbraw/zinc/27/66/59/1138276659.db2.gz WFQPXMAQYGYKIF-VOIUYBSRSA-N 1 3 344.524 3.727 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000125829060 1138317332 /nfs/dbraw/zinc/31/73/32/1138317332.db2.gz UBBAWDNEQQTCKN-IRXDYDNUSA-N 1 3 332.488 3.619 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000132782548 1138602582 /nfs/dbraw/zinc/60/25/82/1138602582.db2.gz VMQYUZFIRBCWDX-MRXNPFEDSA-N 1 3 342.458 3.633 20 0 EHADHO Cc1cccc(C)c1NC(=O)CCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000137691309 1138869759 /nfs/dbraw/zinc/86/97/59/1138869759.db2.gz SFKAWJWACKMHCF-LJQANCHMSA-N 1 3 345.531 3.828 20 0 EHADHO Cc1cccc(C)c1NC(=O)CCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000137691309 1138869765 /nfs/dbraw/zinc/86/97/65/1138869765.db2.gz SFKAWJWACKMHCF-LJQANCHMSA-N 1 3 345.531 3.828 20 0 EHADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000177351651 1139614547 /nfs/dbraw/zinc/61/45/47/1139614547.db2.gz KXRHNAWSMKEIDR-MSOLQXFVSA-N 1 3 338.495 3.991 20 0 EHADHO [O-]c1cc(F)cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000185500970 1140153478 /nfs/dbraw/zinc/15/34/78/1140153478.db2.gz BYDRLBHEYKQBLW-UHFFFAOYSA-N 1 3 334.460 3.595 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000268981154 1141039218 /nfs/dbraw/zinc/03/92/18/1141039218.db2.gz HTEPYPQFZOZSOO-MRXNPFEDSA-N 1 3 343.515 3.573 20 0 EHADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000269038450 1141053076 /nfs/dbraw/zinc/05/30/76/1141053076.db2.gz SXGXIJOISYKFKM-CQSZACIVSA-N 1 3 349.906 3.664 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000283170265 1141566230 /nfs/dbraw/zinc/56/62/30/1141566230.db2.gz DMPKDKPDJIUMHE-OAQYLSRUSA-N 1 3 347.522 3.769 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000283170265 1141566235 /nfs/dbraw/zinc/56/62/35/1141566235.db2.gz DMPKDKPDJIUMHE-OAQYLSRUSA-N 1 3 347.522 3.769 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000037644589 521717709 /nfs/dbraw/zinc/71/77/09/521717709.db2.gz JTSKNFQXFNVEED-NWDGAFQWSA-N 1 3 329.257 3.581 20 0 EHADHO FC(F)(F)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298551160 527682017 /nfs/dbraw/zinc/68/20/17/527682017.db2.gz USGZRGDOYHPWRB-UHFFFAOYSA-N 1 3 335.373 3.859 20 0 EHADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000904458686 1032061642 /nfs/dbraw/zinc/06/16/42/1032061642.db2.gz FIKWWRCAUDRMBY-UHFFFAOYSA-N 1 3 327.497 3.513 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648879 1016140418 /nfs/dbraw/zinc/14/04/18/1016140418.db2.gz RLGZRLOQFDCKBS-GUYCJALGSA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648879 1016140423 /nfs/dbraw/zinc/14/04/23/1016140423.db2.gz RLGZRLOQFDCKBS-GUYCJALGSA-N 1 3 337.305 3.974 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115250 1016178939 /nfs/dbraw/zinc/17/89/39/1016178939.db2.gz HXSAFJMVVZJNAN-BXWFABGCSA-N 1 3 327.472 3.511 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115250 1016178941 /nfs/dbraw/zinc/17/89/41/1016178941.db2.gz HXSAFJMVVZJNAN-BXWFABGCSA-N 1 3 327.472 3.511 20 0 EHADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000538116447 1032142748 /nfs/dbraw/zinc/14/27/48/1032142748.db2.gz KMMHIJOWRBWMCB-YESZJQIVSA-N 1 3 338.923 3.750 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449072683 1032159412 /nfs/dbraw/zinc/15/94/12/1032159412.db2.gz GFZQRYKLZCAQCZ-OLZOCXBDSA-N 1 3 343.298 3.835 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449072683 1032159417 /nfs/dbraw/zinc/15/94/17/1032159417.db2.gz GFZQRYKLZCAQCZ-OLZOCXBDSA-N 1 3 343.298 3.835 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCOC2CCCC2)CC1 ZINC000449104282 1032184203 /nfs/dbraw/zinc/18/42/03/1032184203.db2.gz UQUOXLWTBVOTCM-GOSISDBHSA-N 1 3 330.516 3.631 20 0 EHADHO Cc1cccc(C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000536860069 1032359522 /nfs/dbraw/zinc/35/95/22/1032359522.db2.gz YOTZSRRMPRUFEA-XQBPLPMBSA-N 1 3 344.543 3.795 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000449261278 1032408246 /nfs/dbraw/zinc/40/82/46/1032408246.db2.gz ZLCYLXBRGRAELX-XLIONFOSSA-N 1 3 330.516 3.629 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@H]3CCC[C@H](C)C3)CC1)C2 ZINC000459692377 1032418170 /nfs/dbraw/zinc/41/81/70/1032418170.db2.gz GYAAUYBUJWNYGB-DBVUQKKJSA-N 1 3 342.527 3.795 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3C)CC1)C2 ZINC000459715302 1032443321 /nfs/dbraw/zinc/44/33/21/1032443321.db2.gz YQUZANFOOJDROI-LDQXTDLNSA-N 1 3 342.527 3.795 20 0 EHADHO COc1ccc([C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000537016733 1032473256 /nfs/dbraw/zinc/47/32/56/1032473256.db2.gz UIZGDKWJDYHRGS-BBTUJRGHSA-N 1 3 348.531 3.871 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024587 1032489385 /nfs/dbraw/zinc/48/93/85/1032489385.db2.gz QUJVQKOMLFZVEN-XLIONFOSSA-N 1 3 339.483 3.796 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000090524525 1032582954 /nfs/dbraw/zinc/58/29/54/1032582954.db2.gz WSRRCYJZTPOVFN-KYNGSXCRSA-N 1 3 336.907 3.759 20 0 EHADHO Cc1n[nH]cc1[C@H](C)[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000246038928 1032620649 /nfs/dbraw/zinc/62/06/49/1032620649.db2.gz WWYNJPKWLNKFDG-OAGGEKHMSA-N 1 3 326.488 3.525 20 0 EHADHO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000246038915 1032621307 /nfs/dbraw/zinc/62/13/07/1032621307.db2.gz WWYNJPKWLNKFDG-ASKKUZCQSA-N 1 3 326.488 3.525 20 0 EHADHO CC[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000163677236 1017333938 /nfs/dbraw/zinc/33/39/38/1017333938.db2.gz NADMPWWKKLSAOU-OXJNMPFZSA-N 1 3 327.472 3.824 20 0 EHADHO C[C@@H]1CN(Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@@H](C)O1 ZINC000340406063 1017414688 /nfs/dbraw/zinc/41/46/88/1017414688.db2.gz PTHZVVNQXIPTCE-HUUCEWRRSA-N 1 3 348.874 3.832 20 0 EHADHO C[C@@H]1C[NH+](Cc2ccc(CNCc3ccc(Cl)o3)cc2)C[C@@H](C)O1 ZINC000340406063 1017414699 /nfs/dbraw/zinc/41/46/99/1017414699.db2.gz PTHZVVNQXIPTCE-HUUCEWRRSA-N 1 3 348.874 3.832 20 0 EHADHO C[C@@H](CNC[C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415085149 1017516501 /nfs/dbraw/zinc/51/65/01/1017516501.db2.gz HYVJKQDSBLYRNX-STQMWFEESA-N 1 3 343.334 3.519 20 0 EHADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CC1 ZINC000415099729 1017551662 /nfs/dbraw/zinc/55/16/62/1017551662.db2.gz HHHYETPGEIZELU-CZUORRHYSA-N 1 3 337.305 3.601 20 0 EHADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415107450 1017562777 /nfs/dbraw/zinc/56/27/77/1017562777.db2.gz OUFUFNLLDUUGRX-XJKSGUPXSA-N 1 3 326.406 3.857 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)C1 ZINC000655788740 1017607703 /nfs/dbraw/zinc/60/77/03/1017607703.db2.gz NKCCOWMNMZZNTI-UMSONDCASA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](C3CC3)[C@H]3CCCCO3)CC2)C1 ZINC000655788740 1017607708 /nfs/dbraw/zinc/60/77/08/1017607708.db2.gz NKCCOWMNMZZNTI-UMSONDCASA-N 1 3 334.548 3.967 20 0 EHADHO C1CCC2(C1)[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@@H]1CCO[C@@H]12 ZINC000122082700 1017845096 /nfs/dbraw/zinc/84/50/96/1017845096.db2.gz AMNGGSWVOUBOCH-ZCNNSNEGSA-N 1 3 332.532 3.721 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000317263883 1017923044 /nfs/dbraw/zinc/92/30/44/1017923044.db2.gz RKVYFJIYMHPOQU-UHFFFAOYSA-N 1 3 338.904 3.885 20 0 EHADHO C[N@H+](CCN1CCN(CCC2=CCCCC2)CC1)Cc1ccccc1 ZINC001167337370 1018271891 /nfs/dbraw/zinc/27/18/91/1018271891.db2.gz OPCMNLFQKFJDPK-UHFFFAOYSA-N 1 3 341.543 3.627 20 0 EHADHO C[N@@H+](CCN1CCN(CCC2=CCCCC2)CC1)Cc1ccccc1 ZINC001167337370 1018271902 /nfs/dbraw/zinc/27/19/02/1018271902.db2.gz OPCMNLFQKFJDPK-UHFFFAOYSA-N 1 3 341.543 3.627 20 0 EHADHO C[C@H](N)[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000925507018 1018534622 /nfs/dbraw/zinc/53/46/22/1018534622.db2.gz XZUCZKQSHPDCEI-YMRXKLBXSA-N 1 3 339.266 3.705 20 0 EHADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000261755416 1018927209 /nfs/dbraw/zinc/92/72/09/1018927209.db2.gz CLRXNFVITCTYEQ-HNNXBMFYSA-N 1 3 345.284 3.897 20 0 EHADHO CCN(CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345188280 1020041688 /nfs/dbraw/zinc/04/16/88/1020041688.db2.gz JXYHIKOUIJTFNW-HNNXBMFYSA-N 1 3 330.394 3.548 20 0 EHADHO CC[NH2+]CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000430563307 1020724774 /nfs/dbraw/zinc/72/47/74/1020724774.db2.gz VKMQIJVWKFFISS-UHFFFAOYSA-N 1 3 325.456 3.695 20 0 EHADHO CCCN1CCC([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168248 1021094293 /nfs/dbraw/zinc/09/42/93/1021094293.db2.gz ASLYFGCZZGAHEL-HXUWFJFHSA-N 1 3 329.532 3.504 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000507402470 1021252686 /nfs/dbraw/zinc/25/26/86/1021252686.db2.gz MLYIWAMAPRMHOP-FVQBIDKESA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507402470 1021252693 /nfs/dbraw/zinc/25/26/93/1021252693.db2.gz MLYIWAMAPRMHOP-FVQBIDKESA-N 1 3 326.406 3.853 20 0 EHADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507498156 1021295805 /nfs/dbraw/zinc/29/58/05/1021295805.db2.gz UNSXVJDQEFCUSN-MBDNFAEBSA-N 1 3 344.543 3.674 20 0 EHADHO Cc1noc2ncc(C[NH2+]CC[C@@H](C)N(C)Cc3ccccc3)cc12 ZINC000894322750 1021326525 /nfs/dbraw/zinc/32/65/25/1021326525.db2.gz DBNNIWPUSOIHLN-OAHLLOKOSA-N 1 3 338.455 3.531 20 0 EHADHO CC[C@H](c1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368386 1021868847 /nfs/dbraw/zinc/86/88/47/1021868847.db2.gz MSUZAHPWLSELFV-LVCYWYKZSA-N 1 3 330.516 3.959 20 0 EHADHO CC[NH+]1CCC(CNCc2c(F)cccc2OC(F)(F)F)CC1 ZINC000563902500 1033036118 /nfs/dbraw/zinc/03/61/18/1033036118.db2.gz KKPDQDGMBINHMI-UHFFFAOYSA-N 1 3 334.357 3.546 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406692 1022235376 /nfs/dbraw/zinc/23/53/76/1022235376.db2.gz YVVWTMONFVIFAD-ICSRJNTNSA-N 1 3 328.500 3.631 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441406692 1022235380 /nfs/dbraw/zinc/23/53/80/1022235380.db2.gz YVVWTMONFVIFAD-ICSRJNTNSA-N 1 3 328.500 3.631 20 0 EHADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](C)CN(C)C)s2)cc1 ZINC000425936112 1022275926 /nfs/dbraw/zinc/27/59/26/1022275926.db2.gz HEFXSXKVABBOQH-UONOGXRCSA-N 1 3 347.528 3.975 20 0 EHADHO Cc1cc(CNCc2ccc(C[NH3+])cc2)sc1Br ZINC000574321888 1033040250 /nfs/dbraw/zinc/04/02/50/1033040250.db2.gz HOYOFMZUVNZBCV-UHFFFAOYSA-N 1 3 325.275 3.568 20 0 EHADHO Oc1cccc2c1C[C@@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)C2 ZINC000894562727 1022554094 /nfs/dbraw/zinc/55/40/94/1022554094.db2.gz YDKITRUJSZKQSU-VMXMFDLUSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@@H](N[C@H]1C[C@H]3C[C@@H](C1)[N@H+](Cc1ccccc1)C3)C2 ZINC000894562727 1022554108 /nfs/dbraw/zinc/55/41/08/1022554108.db2.gz YDKITRUJSZKQSU-VMXMFDLUSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@@H](N[C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562727 1022554121 /nfs/dbraw/zinc/55/41/21/1022554121.db2.gz YDKITRUJSZKQSU-VMXMFDLUSA-N 1 3 348.490 3.502 20 0 EHADHO Cc1cc(C[NH2+]CCCN2CCCCC2)ccc1Br ZINC000091467408 1022945738 /nfs/dbraw/zinc/94/57/38/1022945738.db2.gz YWSYGQRWIADECX-UHFFFAOYSA-N 1 3 325.294 3.723 20 0 EHADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000518076914 1022972629 /nfs/dbraw/zinc/97/26/29/1022972629.db2.gz PNZVDACAVPKGHJ-HKUYNNGSSA-N 1 3 344.547 3.833 20 0 EHADHO Cc1ccc(CN(C)C)cc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426712091 1022995288 /nfs/dbraw/zinc/99/52/88/1022995288.db2.gz ULOKEZWWUQMSKL-UHFFFAOYSA-N 1 3 331.504 3.507 20 0 EHADHO c1[nH]nc2cc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467142 1023007183 /nfs/dbraw/zinc/00/71/83/1023007183.db2.gz DBZUJYQUTHFWRL-NHCUHLMSSA-N 1 3 346.478 3.517 20 0 EHADHO c1[nH]nc2cc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc12 ZINC000520467142 1023007195 /nfs/dbraw/zinc/00/71/95/1023007195.db2.gz DBZUJYQUTHFWRL-NHCUHLMSSA-N 1 3 346.478 3.517 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2NCCc3ccccc32)CCN1Cc1ccccc1 ZINC000414959183 1023066785 /nfs/dbraw/zinc/06/67/85/1023066785.db2.gz RXRVWJAEACQFAG-RZFNWQHOSA-N 1 3 349.522 3.516 20 0 EHADHO CCCN(CCOc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000431099271 1023253573 /nfs/dbraw/zinc/25/35/73/1023253573.db2.gz IRJKQESMGJODJF-UHFFFAOYSA-N 1 3 330.394 3.548 20 0 EHADHO CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CCNCC1 ZINC000431099271 1023253584 /nfs/dbraw/zinc/25/35/84/1023253584.db2.gz IRJKQESMGJODJF-UHFFFAOYSA-N 1 3 330.394 3.548 20 0 EHADHO CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CCNCC1 ZINC000431099271 1023253587 /nfs/dbraw/zinc/25/35/87/1023253587.db2.gz IRJKQESMGJODJF-UHFFFAOYSA-N 1 3 330.394 3.548 20 0 EHADHO Cc1ncsc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093006866 1023442700 /nfs/dbraw/zinc/44/27/00/1023442700.db2.gz PQYNOVURMOYLAP-UHFFFAOYSA-N 1 3 329.513 3.796 20 0 EHADHO Cc1ncsc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093006866 1023442704 /nfs/dbraw/zinc/44/27/04/1023442704.db2.gz PQYNOVURMOYLAP-UHFFFAOYSA-N 1 3 329.513 3.796 20 0 EHADHO C[NH+](C)CCOc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 ZINC000728592896 1033162004 /nfs/dbraw/zinc/16/20/04/1033162004.db2.gz BSQZIDWHHNXQMJ-UHFFFAOYSA-N 1 3 330.447 3.791 20 0 EHADHO C[C@H]1C[C@H]([N@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644556 1023984876 /nfs/dbraw/zinc/98/48/76/1023984876.db2.gz IVGXVWSQHJTHGQ-AZUAARDMSA-N 1 3 331.548 3.559 20 0 EHADHO C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)CN(C)Cc2ccccc2)CCN1C ZINC000093644556 1023984887 /nfs/dbraw/zinc/98/48/87/1023984887.db2.gz IVGXVWSQHJTHGQ-AZUAARDMSA-N 1 3 331.548 3.559 20 0 EHADHO C[C@H]1CC(N2CC[C@H]3CCCO[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048188 1024342284 /nfs/dbraw/zinc/34/22/84/1024342284.db2.gz UMEBHYDLFZKOEE-GWOFKNCZSA-N 1 3 342.527 3.929 20 0 EHADHO C[C@H]1CC(NCCOC2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168028719 1024514460 /nfs/dbraw/zinc/51/44/60/1024514460.db2.gz QMEQZWCWUJBTPH-ROUUACIJSA-N 1 3 330.516 3.977 20 0 EHADHO Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000657307652 1024898623 /nfs/dbraw/zinc/89/86/23/1024898623.db2.gz SJFJPCMQMQKMHZ-INIZCTEOSA-N 1 3 327.497 3.692 20 0 EHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccnc2ccccc21 ZINC000346654765 1024989736 /nfs/dbraw/zinc/98/97/36/1024989736.db2.gz KTWCCSHMBUQACW-UHFFFAOYSA-N 1 3 332.451 3.983 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474033749 1025312691 /nfs/dbraw/zinc/31/26/91/1025312691.db2.gz OFTQUCHDYSTEJB-HXUWFJFHSA-N 1 3 346.515 3.508 20 0 EHADHO Cc1ccc(-c2ncc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)s2)o1 ZINC000347096237 1025494050 /nfs/dbraw/zinc/49/40/50/1025494050.db2.gz HQLWITYHRNCPEY-INIZCTEOSA-N 1 3 331.485 3.676 20 0 EHADHO CCOc1cc(CN2CCC(CC[NH3+])CC2)ccc1OCC(C)C ZINC000521630633 1025531227 /nfs/dbraw/zinc/53/12/27/1025531227.db2.gz HTRYJVFGNHUFTL-UHFFFAOYSA-N 1 3 334.504 3.681 20 0 EHADHO CC(C)Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442875602 1025548351 /nfs/dbraw/zinc/54/83/51/1025548351.db2.gz PFZIRUXCSXQUCH-GOSISDBHSA-N 1 3 331.548 3.562 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1(C)C ZINC000442879409 1025559366 /nfs/dbraw/zinc/55/93/66/1025559366.db2.gz VSLUTQHOHBBBDX-FQEVSTJZSA-N 1 3 329.532 3.534 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000531416713 1026911127 /nfs/dbraw/zinc/91/11/27/1026911127.db2.gz CCHUVAMTLLQLIX-QRVBRYPASA-N 1 3 330.516 3.959 20 0 EHADHO Fc1ccc(-c2c[nH]c([C@@H]3CCCN3CC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420313726 1027461464 /nfs/dbraw/zinc/46/14/64/1027461464.db2.gz JIJSMHGAXRQLEB-KXBFYZLASA-N 1 3 342.462 3.742 20 0 EHADHO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657612997 1027631181 /nfs/dbraw/zinc/63/11/81/1027631181.db2.gz TVYKYWCWBHEWEI-JXFKEZNVSA-N 1 3 339.483 3.800 20 0 EHADHO c1cnc2c(c1)cccc2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613003 1027631998 /nfs/dbraw/zinc/63/19/98/1027631998.db2.gz TYMNXWBXUNEETJ-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422768461 1027926803 /nfs/dbraw/zinc/92/68/03/1027926803.db2.gz UPRDRMGRUNGULK-CZUORRHYSA-N 1 3 343.284 3.628 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775374 1027929751 /nfs/dbraw/zinc/92/97/51/1027929751.db2.gz BJBGQGXFEQNDHE-CABCVRRESA-N 1 3 327.472 3.529 20 0 EHADHO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775643 1027934205 /nfs/dbraw/zinc/93/42/05/1027934205.db2.gz AYDKFEFXGHUCHB-LSDHHAIUSA-N 1 3 327.472 3.702 20 0 EHADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422766064 1027946561 /nfs/dbraw/zinc/94/65/61/1027946561.db2.gz RKIYYDKAEYQHND-OYNPSCLESA-N 1 3 345.506 3.695 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cnccc1N ZINC000422801516 1027954741 /nfs/dbraw/zinc/95/47/41/1027954741.db2.gz FQUCLWKHPRYJRI-QGZVFWFLSA-N 1 3 338.499 3.577 20 0 EHADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)cs1 ZINC000422809061 1027960079 /nfs/dbraw/zinc/96/00/79/1027960079.db2.gz RFHOIYHKRKHYSP-JGTCGTHISA-N 1 3 345.512 3.521 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422823001 1027969830 /nfs/dbraw/zinc/96/98/30/1027969830.db2.gz CGBBRBODTKXELH-FXAWDEMLSA-N 1 3 348.494 3.562 20 0 EHADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422840575 1027982082 /nfs/dbraw/zinc/98/20/82/1027982082.db2.gz UADCSJQYSQKYFV-IJXRJRJASA-N 1 3 347.934 3.819 20 0 EHADHO Cc1ccc(-c2nc(CC[NH2+][C@H]3C[C@@H](N)c4ccccc43)co2)cc1 ZINC000422878520 1028012387 /nfs/dbraw/zinc/01/23/87/1028012387.db2.gz KDASMMMCRRKLQE-UXHICEINSA-N 1 3 333.435 3.927 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cc(Br)cs1 ZINC000422898659 1028034671 /nfs/dbraw/zinc/03/46/71/1028034671.db2.gz MMZPSFCDCYCASP-VIFPVBQESA-N 1 3 340.290 3.524 20 0 EHADHO COc1ccccc1Oc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422905104 1028040000 /nfs/dbraw/zinc/04/00/00/1028040000.db2.gz HSCLFZAQDOTFIR-FUHWJXTLSA-N 1 3 326.440 3.705 20 0 EHADHO CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422929852 1028057927 /nfs/dbraw/zinc/05/79/27/1028057927.db2.gz AHCYVIJQMVHEMN-CADBVGFASA-N 1 3 344.499 3.809 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422939004 1028067840 /nfs/dbraw/zinc/06/78/40/1028067840.db2.gz QMOZLNVESBHCIT-ZVDOUQERSA-N 1 3 338.426 3.659 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+]CCNc2cccc(Br)c2)c2ccccc21 ZINC000422962121 1028077196 /nfs/dbraw/zinc/07/71/96/1028077196.db2.gz DWLMDQFXHRRIKQ-IAGOWNOFSA-N 1 3 346.272 3.595 20 0 EHADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422955391 1028094026 /nfs/dbraw/zinc/09/40/26/1028094026.db2.gz JDWRVOCRDVSZBR-GZIQRIHMSA-N 1 3 334.463 3.765 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOc1cccc2cccnc21 ZINC000422956857 1028094826 /nfs/dbraw/zinc/09/48/26/1028094826.db2.gz RCDVWBXGSVGKDQ-FXAWDEMLSA-N 1 3 349.478 3.552 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NC(Cc1ccccc1F)Cc1ccccc1F ZINC000422994724 1028102515 /nfs/dbraw/zinc/10/25/15/1028102515.db2.gz IOTIPRKVNYNGAZ-LSDHHAIUSA-N 1 3 332.438 3.834 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423063788 1028156882 /nfs/dbraw/zinc/15/68/82/1028156882.db2.gz PUSJXRDLFJOJKX-YVEFUNNKSA-N 1 3 337.389 3.845 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161565005 1028175603 /nfs/dbraw/zinc/17/56/03/1028175603.db2.gz FTUHVQGSPRBUTE-KRWDZBQOSA-N 1 3 341.902 3.547 20 0 EHADHO C[C@@H](Cc1ccccc1)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000414717989 1028192131 /nfs/dbraw/zinc/19/21/31/1028192131.db2.gz QMJHBNSSSLDKEA-SIKLNZKXSA-N 1 3 337.511 3.905 20 0 EHADHO CC1(C)Cc2ccc(Br)cc2[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000423125419 1028194155 /nfs/dbraw/zinc/19/41/55/1028194155.db2.gz IBUUUQAATIULFO-ZBFHGGJFSA-N 1 3 337.305 3.804 20 0 EHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423146220 1028207622 /nfs/dbraw/zinc/20/76/22/1028207622.db2.gz OQAPGOWKSOKFSD-WTGUMLROSA-N 1 3 347.572 3.522 20 0 EHADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423136264 1028220044 /nfs/dbraw/zinc/22/00/44/1028220044.db2.gz VBZNGZRRYKJISW-BBRMVZONSA-N 1 3 337.305 3.588 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000423181448 1028251146 /nfs/dbraw/zinc/25/11/46/1028251146.db2.gz CVUCALWMAVETSZ-AWEZNQCLSA-N 1 3 337.389 3.931 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H](C)CN)nc1 ZINC000423309199 1028343975 /nfs/dbraw/zinc/34/39/75/1028343975.db2.gz PRXQPSIISCFLRO-YWZLYKJASA-N 1 3 345.918 3.636 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423387766 1028402335 /nfs/dbraw/zinc/40/23/35/1028402335.db2.gz IEIVEBOKRXUBNG-ZCPGHIKRSA-N 1 3 326.406 3.929 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000423417514 1028430436 /nfs/dbraw/zinc/43/04/36/1028430436.db2.gz FTMPTZVZHQIZLJ-JXXFODFXSA-N 1 3 327.447 3.665 20 0 EHADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423502815 1028466830 /nfs/dbraw/zinc/46/68/30/1028466830.db2.gz KFMRBAZCVQKKLA-ISTRZQFTSA-N 1 3 349.272 3.849 20 0 EHADHO Brc1ccccc1C[C@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423552347 1028514344 /nfs/dbraw/zinc/51/43/44/1028514344.db2.gz JRQTXIKBTSBCRF-KRWDZBQOSA-N 1 3 337.305 3.502 20 0 EHADHO CN(C)[C@@H](C[NH2+]CC(C)(C)CN(C)Cc1ccccc1)c1ccco1 ZINC000237131888 1028642458 /nfs/dbraw/zinc/64/24/58/1028642458.db2.gz XSMQGHJJKPNKEC-IBGZPJMESA-N 1 3 343.515 3.630 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)c(C)c1OC ZINC000513755162 1028685359 /nfs/dbraw/zinc/68/53/59/1028685359.db2.gz QFBLEYALIUSPQD-QGZVFWFLSA-N 1 3 348.531 3.655 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248449280 1028906289 /nfs/dbraw/zinc/90/62/89/1028906289.db2.gz OLPDQBYWUNLKKQ-QAPCUYQASA-N 1 3 330.497 3.556 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248449280 1028906307 /nfs/dbraw/zinc/90/63/07/1028906307.db2.gz OLPDQBYWUNLKKQ-QAPCUYQASA-N 1 3 330.497 3.556 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424290464 1028932065 /nfs/dbraw/zinc/93/20/65/1028932065.db2.gz MQOCZGURENGRRT-KRWDZBQOSA-N 1 3 343.515 3.521 20 0 EHADHO C[C@H]1CC2(CN1Cc1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424298064 1028938172 /nfs/dbraw/zinc/93/81/72/1028938172.db2.gz TVRJLILQZJQWKO-LBPRGKRZSA-N 1 3 341.268 3.552 20 0 EHADHO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245637048 1028954442 /nfs/dbraw/zinc/95/44/42/1028954442.db2.gz AAEBSVMFULMGRK-GEALJGNFSA-N 1 3 338.499 3.575 20 0 EHADHO CC[C@@]1(CO)CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000428445639 1029666398 /nfs/dbraw/zinc/66/63/98/1029666398.db2.gz HDDGPRBTLHPHJZ-OAQYLSRUSA-N 1 3 332.532 3.629 20 0 EHADHO CC[C@@]1(CO)CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000428445639 1029666407 /nfs/dbraw/zinc/66/64/07/1029666407.db2.gz HDDGPRBTLHPHJZ-OAQYLSRUSA-N 1 3 332.532 3.629 20 0 EHADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000446839050 1029806900 /nfs/dbraw/zinc/80/69/00/1029806900.db2.gz OSLLFDSEJIJHGF-LEWJYISDSA-N 1 3 332.532 3.938 20 0 EHADHO CCSc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000533786065 1029828189 /nfs/dbraw/zinc/82/81/89/1029828189.db2.gz CVCWMDCVPPTUKE-DLBZAZTESA-N 1 3 348.556 3.950 20 0 EHADHO Fc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000446914338 1029852624 /nfs/dbraw/zinc/85/26/24/1029852624.db2.gz MHYNRGHDDARSEE-UHFFFAOYSA-N 1 3 341.268 3.552 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Br ZINC000583527242 1030038735 /nfs/dbraw/zinc/03/87/35/1030038735.db2.gz SKHUMHHKYFZKGT-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000583527242 1030038762 /nfs/dbraw/zinc/03/87/62/1030038762.db2.gz SKHUMHHKYFZKGT-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453275402 1030059316 /nfs/dbraw/zinc/05/93/16/1030059316.db2.gz LTKMFSJQQKAJES-PWRODBHTSA-N 1 3 344.543 3.675 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482023289 1030166265 /nfs/dbraw/zinc/16/62/65/1030166265.db2.gz ZJRSUINIBBUPGW-LJQANCHMSA-N 1 3 343.515 3.717 20 0 EHADHO C[N@H+](CCCCN[C@H](c1ccc(F)cc1)c1ccccn1)C1CC1 ZINC000453407698 1030218720 /nfs/dbraw/zinc/21/87/20/1030218720.db2.gz SGCVWNGXUUTYCU-HXUWFJFHSA-N 1 3 327.447 3.774 20 0 EHADHO C[N@@H+](CCCCN[C@H](c1ccc(F)cc1)c1ccccn1)C1CC1 ZINC000453407698 1030218734 /nfs/dbraw/zinc/21/87/34/1030218734.db2.gz SGCVWNGXUUTYCU-HXUWFJFHSA-N 1 3 327.447 3.774 20 0 EHADHO COCCc1nc(C)c([C@H](C)NCc2ccc(C[NH+](C)C)cc2)s1 ZINC000092720669 1030503418 /nfs/dbraw/zinc/50/34/18/1030503418.db2.gz FWGNGZOGXZPTLL-AWEZNQCLSA-N 1 3 347.528 3.553 20 0 EHADHO CCOc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1OC ZINC000093688502 1030660411 /nfs/dbraw/zinc/66/04/11/1030660411.db2.gz RTJJRAYEGFOJLG-UHFFFAOYSA-N 1 3 334.504 3.648 20 0 EHADHO c1ccc(CN2CC[C@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657806717 1031114043 /nfs/dbraw/zinc/11/40/43/1031114043.db2.gz KMSXOGMNGAKFLO-QFIPXVFZSA-N 1 3 341.543 3.648 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995491 1031435348 /nfs/dbraw/zinc/43/53/48/1031435348.db2.gz PAJQIWLNOVYYFR-IAGOWNOFSA-N 1 3 343.515 3.791 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995426 1031446351 /nfs/dbraw/zinc/44/63/51/1031446351.db2.gz NSLOLRDFWCSTKK-BBRMVZONSA-N 1 3 326.406 3.901 20 0 EHADHO CCC[C@@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)OCC ZINC000527936219 1031503738 /nfs/dbraw/zinc/50/37/38/1031503738.db2.gz XHMCHHKBNLFDAM-NQIIRXRSSA-N 1 3 332.532 3.877 20 0 EHADHO Clc1ccc2c(c1)[C@@H](N1CCC(OCC[NH+]3CCCC3)CC1)CC2 ZINC000343596428 1031564555 /nfs/dbraw/zinc/56/45/55/1031564555.db2.gz CWHCXNBAKLQTSC-FQEVSTJZSA-N 1 3 348.918 3.904 20 0 EHADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178033960 1031608174 /nfs/dbraw/zinc/60/81/74/1031608174.db2.gz BVEIKHQTOHRLOO-QLFBSQMISA-N 1 3 339.549 3.554 20 0 EHADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000178033988 1031608997 /nfs/dbraw/zinc/60/89/97/1031608997.db2.gz BVEIKHQTOHRLOO-RBSFLKMASA-N 1 3 339.549 3.554 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459392463 1032051980 /nfs/dbraw/zinc/05/19/80/1032051980.db2.gz UIFUITPVCDKXKE-IJXRJRJASA-N 1 3 348.556 3.646 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2cc1OC ZINC000657890310 1033340434 /nfs/dbraw/zinc/34/04/34/1033340434.db2.gz PIJPAUBYTKEVMI-YZVOILCLSA-N 1 3 342.483 3.990 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2cc1OC ZINC000657890310 1033340438 /nfs/dbraw/zinc/34/04/38/1033340438.db2.gz PIJPAUBYTKEVMI-YZVOILCLSA-N 1 3 342.483 3.990 20 0 EHADHO C[N@@H+]1CCC[C@H](CNCc2n[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000608059983 1033453218 /nfs/dbraw/zinc/45/32/18/1033453218.db2.gz UHTLKYYYMXFJTF-AUUYWEPGSA-N 1 3 340.496 3.797 20 0 EHADHO C[N@H+]1CCC[C@H](CNCc2n[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000608059983 1033453220 /nfs/dbraw/zinc/45/32/20/1033453220.db2.gz UHTLKYYYMXFJTF-AUUYWEPGSA-N 1 3 340.496 3.797 20 0 EHADHO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000669690522 1033791226 /nfs/dbraw/zinc/79/12/26/1033791226.db2.gz ACZAUUFLYVILLF-JOCHJYFZSA-N 1 3 343.559 3.658 20 0 EHADHO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000669690522 1033791241 /nfs/dbraw/zinc/79/12/41/1033791241.db2.gz ACZAUUFLYVILLF-JOCHJYFZSA-N 1 3 343.559 3.658 20 0 EHADHO FCCC[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164167 1034025973 /nfs/dbraw/zinc/02/59/73/1034025973.db2.gz CBCVDJZXRWHPDX-WOJBJXKFSA-N 1 3 333.495 3.802 20 0 EHADHO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000310434224 1034471030 /nfs/dbraw/zinc/47/10/30/1034471030.db2.gz SWGYYTXPLUZDNM-UHFFFAOYSA-N 1 3 341.540 3.532 20 0 EHADHO COc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1 ZINC000065976674 1035047414 /nfs/dbraw/zinc/04/74/14/1035047414.db2.gz JOFONVULZJDYIK-UHFFFAOYSA-N 1 3 342.483 3.834 20 0 EHADHO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1 ZINC000065976674 1035047418 /nfs/dbraw/zinc/04/74/18/1035047418.db2.gz JOFONVULZJDYIK-UHFFFAOYSA-N 1 3 342.483 3.834 20 0 EHADHO Cc1ccc(CNC[C@@H](C)C[NH+]2CCCCC2)c(-c2cnn(C)c2)c1 ZINC000548976376 1035364514 /nfs/dbraw/zinc/36/45/14/1035364514.db2.gz XJSHIYNSJIXOPO-GOSISDBHSA-N 1 3 340.515 3.607 20 0 EHADHO Cc1ccc(C)c2c1CCC[C@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186171278 1035594472 /nfs/dbraw/zinc/59/44/72/1035594472.db2.gz WFOXQLSWTZGLNL-WIYYLYMNSA-N 1 3 342.527 3.771 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000535082922 1035974866 /nfs/dbraw/zinc/97/48/66/1035974866.db2.gz FKJZYCNDJNZBJN-UHFFFAOYSA-N 1 3 347.522 3.978 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000535082922 1035974875 /nfs/dbraw/zinc/97/48/75/1035974875.db2.gz FKJZYCNDJNZBJN-UHFFFAOYSA-N 1 3 347.522 3.978 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194675 1035994469 /nfs/dbraw/zinc/99/44/69/1035994469.db2.gz UONANMLIYUWZHM-KBPBESRZSA-N 1 3 334.895 3.609 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194675 1035994478 /nfs/dbraw/zinc/99/44/78/1035994478.db2.gz UONANMLIYUWZHM-KBPBESRZSA-N 1 3 334.895 3.609 20 0 EHADHO Cc1ccc(-c2ncc(CN3CCC([C@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000572363796 1036085890 /nfs/dbraw/zinc/08/58/90/1036085890.db2.gz GYLHOVFEQKFOMX-SFHVURJKSA-N 1 3 341.524 3.940 20 0 EHADHO CC(C)c1nc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccn21 ZINC000572651293 1036445283 /nfs/dbraw/zinc/44/52/83/1036445283.db2.gz UJIXXJRQRALPPW-GOSISDBHSA-N 1 3 340.515 3.621 20 0 EHADHO CCCn1nc(C)c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000192920022 1036553264 /nfs/dbraw/zinc/55/32/64/1036553264.db2.gz OUACQMXRKPXDTQ-FQEVSTJZSA-N 1 3 340.515 3.522 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)c2cccnc2)CC1 ZINC000414340625 1036782067 /nfs/dbraw/zinc/78/20/67/1036782067.db2.gz UURDCBXQXAXJRY-FXAWDEMLSA-N 1 3 329.532 3.992 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046205 1037170174 /nfs/dbraw/zinc/17/01/74/1037170174.db2.gz VAQNJNFWYMZZLR-LSDHHAIUSA-N 1 3 328.422 3.956 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423393163 1037337286 /nfs/dbraw/zinc/33/72/86/1037337286.db2.gz QOLLGDQJMFBYMA-XKQJLSEDSA-N 1 3 329.513 3.963 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461543 1037364535 /nfs/dbraw/zinc/36/45/35/1037364535.db2.gz TXLWQDWGNFEPKW-FFZOFVMBSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461543 1037364550 /nfs/dbraw/zinc/36/45/50/1037364550.db2.gz TXLWQDWGNFEPKW-FFZOFVMBSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)[C@@H](C)C1 ZINC000532461543 1037364565 /nfs/dbraw/zinc/36/45/65/1037364565.db2.gz TXLWQDWGNFEPKW-FFZOFVMBSA-N 1 3 349.950 3.797 20 0 EHADHO C[NH+](C)CCOc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000591723912 1037557506 /nfs/dbraw/zinc/55/75/06/1037557506.db2.gz MIXOJWQXMBQKSK-UHFFFAOYSA-N 1 3 328.431 3.545 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C[C@H](C)O1 ZINC000540168594 1037637266 /nfs/dbraw/zinc/63/72/66/1037637266.db2.gz COSDIYXIGVFYAS-YUVXSKOASA-N 1 3 344.543 3.877 20 0 EHADHO CCc1cnccc1[C@H](C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540315046 1037805255 /nfs/dbraw/zinc/80/52/55/1037805255.db2.gz ADCKDTFBPJXDAR-SJORKVTESA-N 1 3 341.499 3.996 20 0 EHADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000181492105 1038425354 /nfs/dbraw/zinc/42/53/54/1038425354.db2.gz PJMYOLBTOMYMJQ-QGZVFWFLSA-N 1 3 343.515 3.673 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)ccc1OC ZINC000183098708 1038669833 /nfs/dbraw/zinc/66/98/33/1038669833.db2.gz LIPYDEYKKZDQFW-OXJNMPFZSA-N 1 3 334.504 3.757 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000539073755 1038671567 /nfs/dbraw/zinc/67/15/67/1038671567.db2.gz YJOVMAMEECYBQA-IZZBFERCSA-N 1 3 330.516 3.802 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](CCCc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000489133855 1039659372 /nfs/dbraw/zinc/65/93/72/1039659372.db2.gz DPGUDCYREFSEBL-QZTJIDSGSA-N 1 3 348.506 3.580 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(Br)o2)C1 ZINC000480641071 1039800071 /nfs/dbraw/zinc/80/00/71/1039800071.db2.gz YKFSHWGLBBOZHT-OKILXGFUSA-N 1 3 343.309 3.890 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(Br)o2)C1 ZINC000480641071 1039800091 /nfs/dbraw/zinc/80/00/91/1039800091.db2.gz YKFSHWGLBBOZHT-OKILXGFUSA-N 1 3 343.309 3.890 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554881847 1039899834 /nfs/dbraw/zinc/89/98/34/1039899834.db2.gz FOLHEZQXQWLUOX-MSOLQXFVSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554881847 1039899865 /nfs/dbraw/zinc/89/98/65/1039899865.db2.gz FOLHEZQXQWLUOX-MSOLQXFVSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000554881847 1039899888 /nfs/dbraw/zinc/89/98/88/1039899888.db2.gz FOLHEZQXQWLUOX-MSOLQXFVSA-N 1 3 345.531 3.847 20 0 EHADHO C[NH+]1CCC(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480752597 1039974534 /nfs/dbraw/zinc/97/45/34/1039974534.db2.gz AFEMIPGWUXFYLK-MRXNPFEDSA-N 1 3 341.268 3.723 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512614581 1040277073 /nfs/dbraw/zinc/27/70/73/1040277073.db2.gz WMQSQOATJHCDHG-GVDBMIGSSA-N 1 3 326.406 3.829 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512614581 1040277085 /nfs/dbraw/zinc/27/70/85/1040277085.db2.gz WMQSQOATJHCDHG-GVDBMIGSSA-N 1 3 326.406 3.829 20 0 EHADHO C[NH+](C)CCOc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486715843 1040374530 /nfs/dbraw/zinc/37/45/30/1040374530.db2.gz XSVMRMQSNHAZBV-UHFFFAOYSA-N 1 3 341.430 3.537 20 0 EHADHO CC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000512649849 1040395455 /nfs/dbraw/zinc/39/54/55/1040395455.db2.gz UZUJAKOFUSKIDH-NJDAHSKKSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512661736 1040447689 /nfs/dbraw/zinc/44/76/89/1040447689.db2.gz TYCYPLALVGYTEI-XPWALMASSA-N 1 3 349.522 3.823 20 0 EHADHO CC1CC[NH+](Cc2cccc(CN[C@H]3CO[C@H](C4CC4)C3)c2)CC1 ZINC000667853839 1040575993 /nfs/dbraw/zinc/57/59/93/1040575993.db2.gz QIGMPXSBXWXHPB-RTWAWAEBSA-N 1 3 328.500 3.576 20 0 EHADHO CC1(C)C[C@@H](NCCc2cnc(SC3CCCC3)nc2)C[C@@H]([NH3+])C1 ZINC000925676728 1040988282 /nfs/dbraw/zinc/98/82/82/1040988282.db2.gz SYPNKDCPKUVLIY-CVEARBPZSA-N 1 3 348.560 3.549 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(Br)cc1 ZINC000020128748 1041179178 /nfs/dbraw/zinc/17/91/78/1041179178.db2.gz RQBDMKPLSLTRON-CQSZACIVSA-N 1 3 325.294 3.976 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCC(=O)OC(C)(C)C)CC1 ZINC000512964592 1041308572 /nfs/dbraw/zinc/30/85/72/1041308572.db2.gz SCPWRQOYSHMEKU-SJLPKXTDSA-N 1 3 338.536 3.741 20 0 EHADHO C[C@](CO)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000662840350 1042126614 /nfs/dbraw/zinc/12/66/14/1042126614.db2.gz XYUWPJWTVPHGHL-JOCHJYFZSA-N 1 3 338.495 3.670 20 0 EHADHO CC(C)c1cccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000663317525 1042674946 /nfs/dbraw/zinc/67/49/46/1042674946.db2.gz DLHXERKQYCHZGY-LEWJYISDSA-N 1 3 330.516 3.668 20 0 EHADHO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc4c3CNC4)cc2)CC1 ZINC000662387915 1042699070 /nfs/dbraw/zinc/69/90/70/1042699070.db2.gz JEAHWLMAKRAWPE-UHFFFAOYSA-N 1 3 349.478 3.774 20 0 EHADHO CCSc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450489 1043292259 /nfs/dbraw/zinc/29/22/59/1043292259.db2.gz XGGBZOOIJHQAMJ-DLBZAZTESA-N 1 3 336.545 3.950 20 0 EHADHO CCSc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432450489 1043292271 /nfs/dbraw/zinc/29/22/71/1043292271.db2.gz XGGBZOOIJHQAMJ-DLBZAZTESA-N 1 3 336.545 3.950 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000344137864 1043312379 /nfs/dbraw/zinc/31/23/79/1043312379.db2.gz UAQANPIQAUEQGR-FQEVSTJZSA-N 1 3 349.538 3.920 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCC3)CC2)CN(Cc2ccccc2)C1 ZINC000344444444 1044003753 /nfs/dbraw/zinc/00/37/53/1044003753.db2.gz GVAYVQIAZQHYHG-NQIIRXRSSA-N 1 3 341.543 3.504 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000122978902 1044605251 /nfs/dbraw/zinc/60/52/51/1044605251.db2.gz AXAFIHFIDYLLCH-MRXNPFEDSA-N 1 3 334.504 3.757 20 0 EHADHO CCc1oc2ccccc2c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000620756867 1125697911 /nfs/dbraw/zinc/69/79/11/1125697911.db2.gz BSWUYEGDOMKJMZ-CALCHBBNSA-N 1 3 344.499 3.974 20 0 EHADHO COc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1OC1CCCC1 ZINC000623400465 1126945451 /nfs/dbraw/zinc/94/54/51/1126945451.db2.gz VJVGTHRBQGBYEQ-KRWDZBQOSA-N 1 3 346.515 3.979 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486696 1126965606 /nfs/dbraw/zinc/96/56/06/1126965606.db2.gz DCVOMNDATLJTNU-ZIAGYGMSSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486696 1126965608 /nfs/dbraw/zinc/96/56/08/1126965608.db2.gz DCVOMNDATLJTNU-ZIAGYGMSSA-N 1 3 339.886 3.520 20 0 EHADHO CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CCC1 ZINC000623538553 1126979583 /nfs/dbraw/zinc/97/95/83/1126979583.db2.gz JHXQZPHPVWWTMT-LJQANCHMSA-N 1 3 329.532 3.504 20 0 EHADHO C[N@@H+]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)CC1(C)C ZINC000623941343 1127219635 /nfs/dbraw/zinc/21/96/35/1127219635.db2.gz PACVSDUCVFLIAR-GOSISDBHSA-N 1 3 333.545 3.520 20 0 EHADHO C[N@H+]1CC[C@@H](Nc2cccc(CN3CCSCC3)c2)CC1(C)C ZINC000623941343 1127219637 /nfs/dbraw/zinc/21/96/37/1127219637.db2.gz PACVSDUCVFLIAR-GOSISDBHSA-N 1 3 333.545 3.520 20 0 EHADHO COc1cccc2c1CCC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194872479 1127469113 /nfs/dbraw/zinc/46/91/13/1127469113.db2.gz VVNOENXGKQLILK-FUHIMQAGSA-N 1 3 346.515 3.552 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921546673 1127723152 /nfs/dbraw/zinc/72/31/52/1127723152.db2.gz XUGBJZKFRLBGRO-IAGOWNOFSA-N 1 3 339.483 3.555 20 0 EHADHO CC(C)N1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288667 1127784654 /nfs/dbraw/zinc/78/46/54/1127784654.db2.gz UQUGHIKZIQJAMQ-QGZVFWFLSA-N 1 3 345.314 3.879 20 0 EHADHO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282237345 1128118806 /nfs/dbraw/zinc/11/88/06/1128118806.db2.gz ZRLIEPQRKTXECI-UNMCSNQZSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000282237345 1128118809 /nfs/dbraw/zinc/11/88/09/1128118809.db2.gz ZRLIEPQRKTXECI-UNMCSNQZSA-N 1 3 343.559 3.589 20 0 EHADHO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000069833350 1128292707 /nfs/dbraw/zinc/29/27/07/1128292707.db2.gz NQQXVLKIVMUPJX-GJZGRUSLSA-N 1 3 348.874 3.832 20 0 EHADHO C[NH+](C)[C@H]1C[C@@H](CNCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000655825620 1128488938 /nfs/dbraw/zinc/48/89/38/1128488938.db2.gz KNMIGEZAOFBMRO-DRQUAOQDSA-N 1 3 335.904 3.893 20 0 EHADHO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000655835339 1128492166 /nfs/dbraw/zinc/49/21/66/1128492166.db2.gz NQHYGTVVLFCWRR-WENLIBGGSA-N 1 3 349.522 3.903 20 0 EHADHO CN1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494499585 1120573208 /nfs/dbraw/zinc/57/32/08/1120573208.db2.gz ZUKBMMDCGCNGKO-ZTFGCOKTSA-N 1 3 340.870 3.773 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)Cc2csc3ccccc23)CC1 ZINC000191437849 1120673473 /nfs/dbraw/zinc/67/34/73/1120673473.db2.gz FIXJEZYDCNIKFV-UHFFFAOYSA-N 1 3 345.556 3.749 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2csc3ccccc23)CC1 ZINC000191437849 1120673475 /nfs/dbraw/zinc/67/34/75/1120673475.db2.gz FIXJEZYDCNIKFV-UHFFFAOYSA-N 1 3 345.556 3.749 20 0 EHADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000157006995 1128944863 /nfs/dbraw/zinc/94/48/63/1128944863.db2.gz CQRYBFNKRVDJPF-HNNXBMFYSA-N 1 3 339.886 3.522 20 0 EHADHO c1ccc(CN2CCN(CCCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000236573669 1121456885 /nfs/dbraw/zinc/45/68/85/1121456885.db2.gz BQNRPBSZMCXLND-UHFFFAOYSA-N 1 3 329.532 3.507 20 0 EHADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000397501384 1121759873 /nfs/dbraw/zinc/75/98/73/1121759873.db2.gz AJJGTQYWCVVSFC-GOSISDBHSA-N 1 3 344.524 3.816 20 0 EHADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000397501386 1121760250 /nfs/dbraw/zinc/76/02/50/1121760250.db2.gz AJJGTQYWCVVSFC-SFHVURJKSA-N 1 3 344.524 3.816 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556231216 1122893148 /nfs/dbraw/zinc/89/31/48/1122893148.db2.gz DIEZGOUBCZPBRY-NHCUHLMSSA-N 1 3 342.527 3.693 20 0 EHADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000246018535 1124001296 /nfs/dbraw/zinc/00/12/96/1124001296.db2.gz JKBORWIMKAFGGI-HNAYVOBHSA-N 1 3 340.458 3.754 20 0 EHADHO COC[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000246018535 1124001303 /nfs/dbraw/zinc/00/13/03/1124001303.db2.gz JKBORWIMKAFGGI-HNAYVOBHSA-N 1 3 340.458 3.754 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000379843517 1124562735 /nfs/dbraw/zinc/56/27/35/1124562735.db2.gz HKGBRLJONACEGG-PWRODBHTSA-N 1 3 330.516 3.836 20 0 EHADHO CC(C)c1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937271 1124945789 /nfs/dbraw/zinc/94/57/89/1124945789.db2.gz MQROELFKXVCLJU-KRWDZBQOSA-N 1 3 341.499 3.996 20 0 EHADHO CCc1nn(C)c(Cl)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922509917 1129557992 /nfs/dbraw/zinc/55/79/92/1129557992.db2.gz RFUNCBZKOUAHNO-UHFFFAOYSA-N 1 3 338.927 3.523 20 0 EHADHO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167481 1130225299 /nfs/dbraw/zinc/22/52/99/1130225299.db2.gz YEAMSFXJWJREKM-AABGKKOBSA-N 1 3 327.516 3.708 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CN(C)Cc3ccccc32)CCN1Cc1ccccc1 ZINC000536838554 1130594210 /nfs/dbraw/zinc/59/42/10/1130594210.db2.gz HWGGKCNKIMAWJL-RZFNWQHOSA-N 1 3 349.522 3.816 20 0 EHADHO COc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000742366990 1131710722 /nfs/dbraw/zinc/71/07/22/1131710722.db2.gz ADOHMUWFTNKXQM-UHFFFAOYSA-N 1 3 348.874 3.579 20 0 EHADHO CC1(C)CC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC(C)(C)O1 ZINC001172654281 1131800494 /nfs/dbraw/zinc/80/04/94/1131800494.db2.gz ZTKLWDDIEHBRJM-UHFFFAOYSA-N 1 3 345.531 3.619 20 0 EHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CCCN)C1CCCCC1 ZINC001172944380 1131915622 /nfs/dbraw/zinc/91/56/22/1131915622.db2.gz UGWAUOJJKCSSAL-INIZCTEOSA-N 1 3 341.540 3.615 20 0 EHADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCCN)C1CCCCC1 ZINC001172944380 1131915629 /nfs/dbraw/zinc/91/56/29/1131915629.db2.gz UGWAUOJJKCSSAL-INIZCTEOSA-N 1 3 341.540 3.615 20 0 EHADHO CO[C@@H]1CCC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001172947209 1131916832 /nfs/dbraw/zinc/91/68/32/1131916832.db2.gz WZVGDLODDDNPGF-VQTJNVASSA-N 1 3 328.500 3.542 20 0 EHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172953646 1131929509 /nfs/dbraw/zinc/92/95/09/1131929509.db2.gz KLPUNHPPWUAVEW-CQSZACIVSA-N 1 3 341.540 3.612 20 0 EHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001172953646 1131929516 /nfs/dbraw/zinc/92/95/16/1131929516.db2.gz KLPUNHPPWUAVEW-CQSZACIVSA-N 1 3 341.540 3.612 20 0 EHADHO CCc1ccc(C[C@H](C)N2CCC([NH3+])(Cc3ccccn3)CC2)cc1 ZINC001173241252 1132029081 /nfs/dbraw/zinc/02/90/81/1132029081.db2.gz LTTOJNPHTYOSLT-SFHVURJKSA-N 1 3 337.511 3.611 20 0 EHADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC001173651962 1132122553 /nfs/dbraw/zinc/12/25/53/1132122553.db2.gz POTDGVQIGDXNEM-NLWGTHIKSA-N 1 3 348.531 3.519 20 0 EHADHO CCC[N@H+](CCCN)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173781822 1132146240 /nfs/dbraw/zinc/14/62/40/1132146240.db2.gz SZKUQHIDKKXOMO-UHFFFAOYSA-N 1 3 332.488 3.699 20 0 EHADHO CCC[N@@H+](CCCN)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173781822 1132146242 /nfs/dbraw/zinc/14/62/42/1132146242.db2.gz SZKUQHIDKKXOMO-UHFFFAOYSA-N 1 3 332.488 3.699 20 0 EHADHO CC(=O)Oc1ccc(C2CCC([NH2+]CC[C@@H]3CCCN3C)CC2)cc1 ZINC001173783505 1132147399 /nfs/dbraw/zinc/14/73/99/1132147399.db2.gz ALGZFQRUQGGIRD-UUKMXZOPSA-N 1 3 344.499 3.712 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101240 1132655456 /nfs/dbraw/zinc/65/54/56/1132655456.db2.gz PSIXHDWWSGSBNW-IYWMVGAKSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101240 1132655458 /nfs/dbraw/zinc/65/54/58/1132655458.db2.gz PSIXHDWWSGSBNW-IYWMVGAKSA-N 1 3 332.463 3.508 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169281734 1132715044 /nfs/dbraw/zinc/71/50/44/1132715044.db2.gz LRXHAPXTXTVPKC-WBFXSEPVSA-N 1 3 344.499 3.617 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC(C)(C)C3)cc2)CC1 ZINC001177294095 1133047422 /nfs/dbraw/zinc/04/74/22/1133047422.db2.gz DPVFDHLGJUJNKG-OAQYLSRUSA-N 1 3 343.559 3.883 20 0 EHADHO CCCC1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001177266157 1133050750 /nfs/dbraw/zinc/05/07/50/1133050750.db2.gz BIGYWPBVIKXADL-UHFFFAOYSA-N 1 3 343.559 3.883 20 0 EHADHO CCn1nc(CNC2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000769915854 1133359686 /nfs/dbraw/zinc/35/96/86/1133359686.db2.gz CHDKXLLVFMPTHE-UHFFFAOYSA-N 1 3 340.515 3.943 20 0 EHADHO COc1cc(CC[NH2+]C2CCN(CCC(C)C)CC2)ccc1Cl ZINC001181971418 1133562899 /nfs/dbraw/zinc/56/28/99/1133562899.db2.gz KQDDMVGAKCUZRK-UHFFFAOYSA-N 1 3 338.923 3.991 20 0 EHADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C12CCC2 ZINC001183095263 1133768643 /nfs/dbraw/zinc/76/86/43/1133768643.db2.gz NVJMBSWSGNUPDS-GBESFXJTSA-N 1 3 334.548 3.824 20 0 EHADHO C[C@@H]1COCC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183930999 1133874411 /nfs/dbraw/zinc/87/44/11/1133874411.db2.gz YUWLRVIGDGOXKF-SIKLNZKXSA-N 1 3 344.543 3.893 20 0 EHADHO C[C@@H]1COCC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183930999 1133874417 /nfs/dbraw/zinc/87/44/17/1133874417.db2.gz YUWLRVIGDGOXKF-SIKLNZKXSA-N 1 3 344.543 3.893 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184387975 1133933911 /nfs/dbraw/zinc/93/39/11/1133933911.db2.gz ODICGIKABZTESN-JJAZEVLHSA-N 1 3 326.406 3.566 20 0 EHADHO Cc1cc(F)ccc1[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000746659774 1133966615 /nfs/dbraw/zinc/96/66/15/1133966615.db2.gz YZUFTOXPZWUWLX-NRFANRHFSA-N 1 3 348.506 3.756 20 0 EHADHO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775412673 1134751579 /nfs/dbraw/zinc/75/15/79/1134751579.db2.gz WDGMSUMEAQQTFE-FXAWDEMLSA-N 1 3 348.531 3.883 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1CN1CCCCC1 ZINC000775413261 1134756895 /nfs/dbraw/zinc/75/68/95/1134756895.db2.gz ZPMGOTGNPBIHJH-MAUKXSAKSA-N 1 3 334.529 3.837 20 0 EHADHO CC(C)Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000806182349 1135407331 /nfs/dbraw/zinc/40/73/31/1135407331.db2.gz TYNJIYHCVIZKKL-LQCXBHPOSA-N 1 3 343.559 3.703 20 0 EHADHO CC(C)Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000806182349 1135407336 /nfs/dbraw/zinc/40/73/36/1135407336.db2.gz TYNJIYHCVIZKKL-LQCXBHPOSA-N 1 3 343.559 3.703 20 0 EHADHO CCCCC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201731924 1136061734 /nfs/dbraw/zinc/06/17/34/1136061734.db2.gz YIJPBMPHOCNHAI-KRWDZBQOSA-N 1 3 336.545 3.994 20 0 EHADHO CC(C)Oc1cc(Cl)c(C[NH2+]CCCN2CCC2)cc1Cl ZINC001201832958 1136068469 /nfs/dbraw/zinc/06/84/69/1136068469.db2.gz IVAKFHSSOHCBIX-UHFFFAOYSA-N 1 3 331.287 3.966 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000850516659 1136276015 /nfs/dbraw/zinc/27/60/15/1136276015.db2.gz ILPBALWMJNRULI-OAHLLOKOSA-N 1 3 344.890 3.693 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000813881855 1136372184 /nfs/dbraw/zinc/37/21/84/1136372184.db2.gz WLARBZXTQVEBBY-CBANROCLSA-N 1 3 341.543 3.644 20 0 EHADHO CC(C)(C)c1ccc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817893346 1136843293 /nfs/dbraw/zinc/84/32/93/1136843293.db2.gz DQCMGJHZTCJNIT-UAFMIMERSA-N 1 3 330.516 3.528 20 0 EHADHO CC(C)(C)c1ccc([C@H](O)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817893349 1136843617 /nfs/dbraw/zinc/84/36/17/1136843617.db2.gz DQCMGJHZTCJNIT-VNTMZGSJSA-N 1 3 330.516 3.528 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000817962123 1136852155 /nfs/dbraw/zinc/85/21/55/1136852155.db2.gz GFDAOKZCWZSUNN-JKSUJKDBSA-N 1 3 337.467 3.684 20 0 EHADHO CC(C)c1ccc(C2(O)CCC(N[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817969313 1136853644 /nfs/dbraw/zinc/85/36/44/1136853644.db2.gz UMIRRZVGCZBLIM-ZEXAPNKDSA-N 1 3 330.516 3.528 20 0 EHADHO Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC001171060363 1137144664 /nfs/dbraw/zinc/14/46/64/1137144664.db2.gz RLLBPBZNGIRFHV-OAHLLOKOSA-N 1 3 327.299 3.926 20 0 EHADHO Clc1cc2c(cc1Cl)C[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC001171134741 1137235815 /nfs/dbraw/zinc/23/58/15/1137235815.db2.gz ZGDDEYZZNHTWGJ-OAHLLOKOSA-N 1 3 327.299 3.926 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000865523804 1137291346 /nfs/dbraw/zinc/29/13/46/1137291346.db2.gz FPTAZOQCDCOAOL-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000865523804 1137291347 /nfs/dbraw/zinc/29/13/47/1137291347.db2.gz FPTAZOQCDCOAOL-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO CC(C)[NH+]1CCC(CCN[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000866468022 1137357184 /nfs/dbraw/zinc/35/71/84/1137357184.db2.gz XWHIWGIPFGEHLV-INIZCTEOSA-N 1 3 328.504 3.734 20 0 EHADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716635331 1137487950 /nfs/dbraw/zinc/48/79/50/1137487950.db2.gz FHQMEITZNRZDQH-VYJAJWGXSA-N 1 3 330.541 3.913 20 0 EHADHO Cc1csc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000716703006 1137488553 /nfs/dbraw/zinc/48/85/53/1137488553.db2.gz WCRBUWJERMNQAI-FHWLQOOXSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1csc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000716703006 1137488554 /nfs/dbraw/zinc/48/85/54/1137488554.db2.gz WCRBUWJERMNQAI-FHWLQOOXSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1csc(CCN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000716703006 1137488556 /nfs/dbraw/zinc/48/85/56/1137488556.db2.gz WCRBUWJERMNQAI-FHWLQOOXSA-N 1 3 341.524 3.637 20 0 EHADHO CN1C(C)(C)CC([NH2+]CC2CCN(c3ccccn3)CC2)CC1(C)C ZINC001171624341 1137501255 /nfs/dbraw/zinc/50/12/55/1137501255.db2.gz RDSKUEUINJVOBH-UHFFFAOYSA-N 1 3 344.547 3.539 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641892 1137504514 /nfs/dbraw/zinc/50/45/14/1137504514.db2.gz UYKPSABHGFPWMS-GOSISDBHSA-N 1 3 334.479 3.930 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641892 1137504516 /nfs/dbraw/zinc/50/45/16/1137504516.db2.gz UYKPSABHGFPWMS-GOSISDBHSA-N 1 3 334.479 3.930 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CC[C@@H](Oc3cccc(F)c3)C2)CC1(C)C ZINC001171641892 1137504518 /nfs/dbraw/zinc/50/45/18/1137504518.db2.gz UYKPSABHGFPWMS-GOSISDBHSA-N 1 3 334.479 3.930 20 0 EHADHO CC1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171965833 1137520374 /nfs/dbraw/zinc/52/03/74/1137520374.db2.gz RTTNMVYLOKNZLA-NRFANRHFSA-N 1 3 343.559 3.751 20 0 EHADHO Fc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC001172077647 1137530883 /nfs/dbraw/zinc/53/08/83/1137530883.db2.gz UVNDHVLGFPLTOJ-ACDBMABISA-N 1 3 339.458 3.896 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001172098424 1137532695 /nfs/dbraw/zinc/53/26/95/1137532695.db2.gz DVVJTMCTNLOKCS-LDLYASANSA-N 1 3 344.499 3.747 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC001172099345 1137532728 /nfs/dbraw/zinc/53/27/28/1137532728.db2.gz JMEZCUUNCGFRQT-BTTYYORXSA-N 1 3 341.268 3.693 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(N3CCCCC3)c1)C2 ZINC001172102410 1137536438 /nfs/dbraw/zinc/53/64/38/1137536438.db2.gz MOYMWVLUOXSUEO-OWZKRDHZSA-N 1 3 327.516 3.782 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(N3CCCCC3)c1)C2 ZINC001172102410 1137536440 /nfs/dbraw/zinc/53/64/40/1137536440.db2.gz MOYMWVLUOXSUEO-OWZKRDHZSA-N 1 3 327.516 3.782 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](c2cccc(F)c2)C2CCC2)CC1 ZINC001172246581 1137544402 /nfs/dbraw/zinc/54/44/02/1137544402.db2.gz OJPWUKBXFRFDKH-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172327412 1137546969 /nfs/dbraw/zinc/54/69/69/1137546969.db2.gz FBYCFPBIYKBQPD-IAGOWNOFSA-N 1 3 336.495 3.755 20 0 EHADHO COc1ccccc1[C@@H]1CCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205165 1137593894 /nfs/dbraw/zinc/59/38/94/1137593894.db2.gz NVMNLJIODACBPV-KRWDZBQOSA-N 1 3 328.481 3.740 20 0 EHADHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)CN1CCCCC1 ZINC000125638841 1137639563 /nfs/dbraw/zinc/63/95/63/1137639563.db2.gz AFJIYERAYVFFON-QZTJIDSGSA-N 1 3 343.515 3.586 20 0 EHADHO CCn1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c(-c2ccccc2)n1 ZINC000882904916 1137837421 /nfs/dbraw/zinc/83/74/21/1137837421.db2.gz OPSWEPOHPDZHKZ-UHFFFAOYSA-N 1 3 340.515 3.923 20 0 EHADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000333125283 1137955993 /nfs/dbraw/zinc/95/59/93/1137955993.db2.gz IWUGKNJAHVKQDO-KSSFIOAISA-N 1 3 348.874 3.805 20 0 EHADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000333211099 1137958254 /nfs/dbraw/zinc/95/82/54/1137958254.db2.gz ZROBXATVDVKKQK-FUHWJXTLSA-N 1 3 348.874 3.805 20 0 EHADHO CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534132 1138091617 /nfs/dbraw/zinc/09/16/17/1138091617.db2.gz BJFDGBGYJFBYAY-CMOCDZPBSA-N 1 3 344.543 3.674 20 0 EHADHO c1ccc([C@@H]2CCC[C@H](CN3CCCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876119 1138163167 /nfs/dbraw/zinc/16/31/67/1138163167.db2.gz JNBPNKMBHPWKLI-HKBOAZHASA-N 1 3 328.500 3.762 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[C@@H](C)O1 ZINC000337346124 1138539817 /nfs/dbraw/zinc/53/98/17/1138539817.db2.gz VVKONEWJUOTBCM-WERVVEIQSA-N 1 3 345.531 3.587 20 0 EHADHO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178256368 1139682008 /nfs/dbraw/zinc/68/20/08/1139682008.db2.gz CCMRSPOPUQJAJJ-LJQANCHMSA-N 1 3 326.484 3.897 20 0 EHADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCNc2ccccc21 ZINC000192779974 1140550602 /nfs/dbraw/zinc/55/06/02/1140550602.db2.gz OZLVUUUORDNDRN-FQEVSTJZSA-N 1 3 339.483 3.664 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000268803289 1140996365 /nfs/dbraw/zinc/99/63/65/1140996365.db2.gz ZNDXIJRMTOSNFS-HXUWFJFHSA-N 1 3 328.431 3.543 20 0 EHADHO C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268808287 1140996734 /nfs/dbraw/zinc/99/67/34/1140996734.db2.gz MZNRQYLZPHXAIG-CQSZACIVSA-N 1 3 334.410 3.756 20 0 EHADHO CCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268883347 1141016677 /nfs/dbraw/zinc/01/66/77/1141016677.db2.gz FPBAZPSZRRTTFM-SIKLNZKXSA-N 1 3 343.559 3.894 20 0 EHADHO CCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000269075928 1141060956 /nfs/dbraw/zinc/06/09/56/1141060956.db2.gz YHFVEFYLWMVURM-MRXNPFEDSA-N 1 3 345.314 3.881 20 0 EHADHO CN1CCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413418 1141220784 /nfs/dbraw/zinc/22/07/84/1141220784.db2.gz DVOOMCNKFFKERY-RBUKOAKNSA-N 1 3 336.907 3.570 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432391 1141366108 /nfs/dbraw/zinc/36/61/08/1141366108.db2.gz CFCKWWABXOVORF-BZPMIXESSA-N 1 3 337.920 3.811 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1nc2cc(Cl)ccc2s1 ZINC000271432391 1141366114 /nfs/dbraw/zinc/36/61/14/1141366114.db2.gz CFCKWWABXOVORF-BZPMIXESSA-N 1 3 337.920 3.811 20 0 EHADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000271646547 1141411940 /nfs/dbraw/zinc/41/19/40/1141411940.db2.gz FLLFEAJKWLVQBH-AQNXPRMDSA-N 1 3 348.918 3.759 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)ncn3C)c1 ZINC000271687436 1141418757 /nfs/dbraw/zinc/41/87/57/1141418757.db2.gz QCWCIGZPLZCNGL-UHFFFAOYSA-N 1 3 336.483 3.703 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)ncn3C)c1 ZINC000271687436 1141418761 /nfs/dbraw/zinc/41/87/61/1141418761.db2.gz QCWCIGZPLZCNGL-UHFFFAOYSA-N 1 3 336.483 3.703 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000283267863 1141581621 /nfs/dbraw/zinc/58/16/21/1141581621.db2.gz LALKYIRRGHCRRU-WIYYLYMNSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000283267863 1141581623 /nfs/dbraw/zinc/58/16/23/1141581623.db2.gz LALKYIRRGHCRRU-WIYYLYMNSA-N 1 3 347.522 3.625 20 0 EHADHO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298481023 523856465 /nfs/dbraw/zinc/85/64/65/523856465.db2.gz PKNHPDSBZWHMDO-INIZCTEOSA-N 1 3 325.456 3.718 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CCN1C ZINC000153379716 1125478132 /nfs/dbraw/zinc/47/81/32/1125478132.db2.gz DEMNFOAAMCPZOE-LZQZEXGQSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC[N@@H+]1C ZINC000153379716 1125478133 /nfs/dbraw/zinc/47/81/33/1125478133.db2.gz DEMNFOAAMCPZOE-LZQZEXGQSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC[N@H+]1C ZINC000153379716 1125478137 /nfs/dbraw/zinc/47/81/37/1125478137.db2.gz DEMNFOAAMCPZOE-LZQZEXGQSA-N 1 3 335.923 3.549 20 0 EHADHO CCc1nc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000274882436 1015566344 /nfs/dbraw/zinc/56/63/44/1015566344.db2.gz HVEYJGBEAVPTNF-WMZOPIPTSA-N 1 3 343.540 3.748 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000180206877 1015882060 /nfs/dbraw/zinc/88/20/60/1015882060.db2.gz LIBZLKDQRHBIFF-IAGOWNOFSA-N 1 3 325.500 3.655 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649535 1016140339 /nfs/dbraw/zinc/14/03/39/1016140339.db2.gz ZOWGVTGMGJNYMU-DYVFJYSZSA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649535 1016140342 /nfs/dbraw/zinc/14/03/42/1016140342.db2.gz ZOWGVTGMGJNYMU-DYVFJYSZSA-N 1 3 337.305 3.974 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840733 1032185244 /nfs/dbraw/zinc/18/52/44/1032185244.db2.gz IJGGRYJYHVWIST-CVEARBPZSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840733 1032185255 /nfs/dbraw/zinc/18/52/55/1032185255.db2.gz IJGGRYJYHVWIST-CVEARBPZSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840733 1032185261 /nfs/dbraw/zinc/18/52/61/1032185261.db2.gz IJGGRYJYHVWIST-CVEARBPZSA-N 1 3 342.483 3.849 20 0 EHADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)F)nc1 ZINC000657842546 1032209594 /nfs/dbraw/zinc/20/95/94/1032209594.db2.gz UWJIZYCZUSUSJZ-CQSZACIVSA-N 1 3 349.425 3.810 20 0 EHADHO COc1cc(C)ccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536865204 1032364538 /nfs/dbraw/zinc/36/45/38/1032364538.db2.gz WITCKSCCEVHTJH-FGTMMUONSA-N 1 3 334.504 3.544 20 0 EHADHO COC(=O)c1ccc([C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000089262733 1032520571 /nfs/dbraw/zinc/52/05/71/1032520571.db2.gz KANNCIZBPAUATJ-MRXNPFEDSA-N 1 3 348.487 3.715 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000090524632 1032583921 /nfs/dbraw/zinc/58/39/21/1032583921.db2.gz MNVYQZUFJKXKNF-SNRMKQJTSA-N 1 3 342.483 3.851 20 0 EHADHO C[C@H](CCc1ccccc1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000537332149 1032637506 /nfs/dbraw/zinc/63/75/06/1032637506.db2.gz RXWOJLBFPCMOOT-AABGKKOBSA-N 1 3 332.532 3.734 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415071562 1017513972 /nfs/dbraw/zinc/51/39/72/1017513972.db2.gz WOLFRCAHEHJBJF-BEFAXECRSA-N 1 3 331.504 3.634 20 0 EHADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415088644 1017538158 /nfs/dbraw/zinc/53/81/58/1017538158.db2.gz WLGHCXKYTZLVJM-RNIPGJKVSA-N 1 3 347.934 3.819 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415126722 1017591768 /nfs/dbraw/zinc/59/17/68/1017591768.db2.gz UZNXBJPRDXROCH-UMVBOHGHSA-N 1 3 325.294 3.500 20 0 EHADHO Cc1nnc([C@H](C)NC2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC000340494337 1018146629 /nfs/dbraw/zinc/14/66/29/1018146629.db2.gz UCYPBVIGKXTXMH-NNGSBXSVSA-N 1 3 344.528 3.940 20 0 EHADHO Cc1nnc([C@H](C)NC2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000340494337 1018146634 /nfs/dbraw/zinc/14/66/34/1018146634.db2.gz UCYPBVIGKXTXMH-NNGSBXSVSA-N 1 3 344.528 3.940 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)co2)cc1 ZINC000580182096 1018749544 /nfs/dbraw/zinc/74/95/44/1018749544.db2.gz CKYNYILJOCAQOQ-XUVXKRRUSA-N 1 3 339.483 3.703 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000449560049 1032807480 /nfs/dbraw/zinc/80/74/80/1032807480.db2.gz FISOWOGMEGCXTA-FAXKSRBJSA-N 1 3 343.515 3.742 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560049 1032807498 /nfs/dbraw/zinc/80/74/98/1032807498.db2.gz FISOWOGMEGCXTA-FAXKSRBJSA-N 1 3 343.515 3.742 20 0 EHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000580431120 1019353903 /nfs/dbraw/zinc/35/39/03/1019353903.db2.gz DQDXGIWKNUPTJX-CABCVRRESA-N 1 3 338.455 3.656 20 0 EHADHO c1cc(CCNC2CC[NH+](C3CCCCC3)CC2)cc2c1OCC2 ZINC000513204519 1019411568 /nfs/dbraw/zinc/41/15/68/1019411568.db2.gz SKHXLVBDAGGXTP-UHFFFAOYSA-N 1 3 328.500 3.551 20 0 EHADHO c1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc2c1OCC2 ZINC000513204519 1019411580 /nfs/dbraw/zinc/41/15/80/1019411580.db2.gz SKHXLVBDAGGXTP-UHFFFAOYSA-N 1 3 328.500 3.551 20 0 EHADHO Cc1cc(F)ncc1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000894225120 1019631840 /nfs/dbraw/zinc/63/18/40/1019631840.db2.gz ABBSTIHYXGDZAV-HXUWFJFHSA-N 1 3 327.447 3.531 20 0 EHADHO CN1CC=C(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275963386 1019973932 /nfs/dbraw/zinc/97/39/32/1019973932.db2.gz WCHSUANEIHUNDP-HNNXBMFYSA-N 1 3 341.318 3.813 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000501145997 1020721701 /nfs/dbraw/zinc/72/17/01/1020721701.db2.gz ZXPBRZLQZJTEPT-UHFFFAOYSA-N 1 3 345.575 3.951 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000501145997 1020721711 /nfs/dbraw/zinc/72/17/11/1020721711.db2.gz ZXPBRZLQZJTEPT-UHFFFAOYSA-N 1 3 345.575 3.951 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000342402257 1021277880 /nfs/dbraw/zinc/27/78/80/1021277880.db2.gz CVYAJXWCRVRMRQ-IXDOHACOSA-N 1 3 343.515 3.523 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000342402257 1021277890 /nfs/dbraw/zinc/27/78/90/1021277890.db2.gz CVYAJXWCRVRMRQ-IXDOHACOSA-N 1 3 343.515 3.523 20 0 EHADHO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc5cnccc5c4)C[C@@H]3C2)cc1 ZINC000684413038 1021672718 /nfs/dbraw/zinc/67/27/18/1021672718.db2.gz MCELGEIJYRGLDR-ZRZAMGCNSA-N 1 3 343.474 3.799 20 0 EHADHO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc5cnccc5c4)C[C@@H]3C2)cc1 ZINC000684413038 1021672727 /nfs/dbraw/zinc/67/27/27/1021672727.db2.gz MCELGEIJYRGLDR-ZRZAMGCNSA-N 1 3 343.474 3.799 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414903969 1021792238 /nfs/dbraw/zinc/79/22/38/1021792238.db2.gz JEVOPMILOIPGNA-UZLBHIALSA-N 1 3 331.504 3.506 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166563 1022085569 /nfs/dbraw/zinc/08/55/69/1022085569.db2.gz JDWLUBGHTIPIMQ-LSDHHAIUSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166563 1022085590 /nfs/dbraw/zinc/08/55/90/1022085590.db2.gz JDWLUBGHTIPIMQ-LSDHHAIUSA-N 1 3 344.421 3.857 20 0 EHADHO CC[NH2+]CC1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000131465101 1022594537 /nfs/dbraw/zinc/59/45/37/1022594537.db2.gz CZNYWEPQKJWBCC-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO Cc1c(Cl)c(CN2CCC3(CC[NH2+]C3)CC2)nc2ccccc12 ZINC000431021245 1023132408 /nfs/dbraw/zinc/13/24/08/1023132408.db2.gz BEGQBHULOYLEDL-UHFFFAOYSA-N 1 3 329.875 3.772 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000536424786 1023266512 /nfs/dbraw/zinc/26/65/12/1023266512.db2.gz VNUZGVFYBAQPMM-JOCHJYFZSA-N 1 3 343.559 3.805 20 0 EHADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000092665378 1023477328 /nfs/dbraw/zinc/47/73/28/1023477328.db2.gz KFHAUTJITHVZIN-OALUTQOASA-N 1 3 335.580 3.693 20 0 EHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853116 1024404691 /nfs/dbraw/zinc/40/46/91/1024404691.db2.gz RVJGNNAHMWPGNG-SUMWQHHRSA-N 1 3 337.895 3.554 20 0 EHADHO Fc1ccc(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000469811084 1024781670 /nfs/dbraw/zinc/78/16/70/1024781670.db2.gz UEWIKTJXWAZUSD-QZTJIDSGSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(CC2CCN([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000469811084 1024781682 /nfs/dbraw/zinc/78/16/82/1024781682.db2.gz UEWIKTJXWAZUSD-QZTJIDSGSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@H](CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253975 1024946590 /nfs/dbraw/zinc/94/65/90/1024946590.db2.gz DXNCLRCVUFVKNR-DAXOMENPSA-N 1 3 332.385 3.982 20 0 EHADHO CCc1nc(C)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000428222860 1025057728 /nfs/dbraw/zinc/05/77/28/1025057728.db2.gz AAGADQYQIXZRCI-UHFFFAOYSA-N 1 3 341.499 3.889 20 0 EHADHO CCc1nc(C)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000428222860 1025057736 /nfs/dbraw/zinc/05/77/36/1025057736.db2.gz AAGADQYQIXZRCI-UHFFFAOYSA-N 1 3 341.499 3.889 20 0 EHADHO CC(C)c1nn(-c2ccccc2)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346838885 1025229116 /nfs/dbraw/zinc/22/91/16/1025229116.db2.gz RTPBERPEQQNCCF-VDGAXYAQSA-N 1 3 338.499 3.555 20 0 EHADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Oc1cccnc1 ZINC000346854828 1025243111 /nfs/dbraw/zinc/24/31/11/1025243111.db2.gz UOBFYLXDGDHCNO-SXLOBPIMSA-N 1 3 337.467 3.742 20 0 EHADHO CCCN(Cc1cccc(OCc2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347031223 1025437664 /nfs/dbraw/zinc/43/76/64/1025437664.db2.gz YOJPCDQJLXODEK-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@H+](Cc1cccc(OCc2ccccn2)c1)C1CCNCC1 ZINC000347031223 1025437668 /nfs/dbraw/zinc/43/76/68/1025437668.db2.gz YOJPCDQJLXODEK-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CCNCC1 ZINC000347031223 1025437675 /nfs/dbraw/zinc/43/76/75/1025437675.db2.gz YOJPCDQJLXODEK-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CCCN(C2CCC2)C1 ZINC000192637816 1025481261 /nfs/dbraw/zinc/48/12/61/1025481261.db2.gz OZXPSLYPYZQSPD-YLJYHZDGSA-N 1 3 342.527 3.797 20 0 EHADHO Clc1ccc2c(c1)C[C@@H]1[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)[C@H]21 ZINC000530211548 1025505303 /nfs/dbraw/zinc/50/53/03/1025505303.db2.gz MJXFQKATTHURTD-BGSOWLKRSA-N 1 3 330.903 3.879 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000521632820 1025535145 /nfs/dbraw/zinc/53/51/45/1025535145.db2.gz WWGIZKSNCVPORF-HUUCEWRRSA-N 1 3 331.485 3.533 20 0 EHADHO CN1CCN(CC[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1(C)C ZINC000442876939 1025555927 /nfs/dbraw/zinc/55/59/27/1025555927.db2.gz SRMUCFHITWHQRV-LJQANCHMSA-N 1 3 331.548 3.780 20 0 EHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cc(Br)cs1 ZINC000582242321 1025655557 /nfs/dbraw/zinc/65/55/57/1025655557.db2.gz YTVJWUQULHPWIB-JTQLQIEISA-N 1 3 325.275 3.820 20 0 EHADHO CCCCOc1cc(CN2CCC(C[NH2+]CC)CC2)ccc1OC ZINC000347230996 1025698277 /nfs/dbraw/zinc/69/82/77/1025698277.db2.gz YARAADCDWNUZJG-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO C[C@@H](CC[NH2+]CC1=Cc2ccccc2OC1)N(C)Cc1ccccc1 ZINC000531094446 1026564399 /nfs/dbraw/zinc/56/43/99/1026564399.db2.gz DEPWVFWTTKWSAE-SFHVURJKSA-N 1 3 336.479 3.963 20 0 EHADHO Cc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301713999 1026912051 /nfs/dbraw/zinc/91/20/51/1026912051.db2.gz JCUQYYYZUREWHA-IRXDYDNUSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2nccc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000302231631 1027100850 /nfs/dbraw/zinc/10/08/50/1027100850.db2.gz SEPZAFDMAMEFGX-GOSISDBHSA-N 1 3 339.483 3.624 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000513714176 1027260203 /nfs/dbraw/zinc/26/02/03/1027260203.db2.gz ZPZGAJONTOZMCF-ULQDDVLXSA-N 1 3 342.405 3.547 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2ccccc2OC(F)F)CC1 ZINC000188720588 1027365104 /nfs/dbraw/zinc/36/51/04/1027365104.db2.gz DAGVNEMIWCADJN-UHFFFAOYSA-N 1 3 326.431 3.683 20 0 EHADHO CC(C)(C)[NH+]1CCC(NCCc2ccccc2OC(F)F)CC1 ZINC000188720588 1027365122 /nfs/dbraw/zinc/36/51/22/1027365122.db2.gz DAGVNEMIWCADJN-UHFFFAOYSA-N 1 3 326.431 3.683 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000420324984 1027479898 /nfs/dbraw/zinc/47/98/98/1027479898.db2.gz VWWCGQOWTKRGMJ-GHTZIAJQSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000420324984 1027479909 /nfs/dbraw/zinc/47/99/09/1027479909.db2.gz VWWCGQOWTKRGMJ-GHTZIAJQSA-N 1 3 340.467 3.583 20 0 EHADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657595799 1027572400 /nfs/dbraw/zinc/57/24/00/1027572400.db2.gz KBWLGHWKVCMQFI-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657595799 1027572414 /nfs/dbraw/zinc/57/24/14/1027572414.db2.gz KBWLGHWKVCMQFI-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO CC(C)c1cnc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657612927 1027632182 /nfs/dbraw/zinc/63/21/82/1027632182.db2.gz FQCKKOXHLWFMBS-UHFFFAOYSA-N 1 3 344.528 3.663 20 0 EHADHO CC(C)c1cnc(CNCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657612927 1027632190 /nfs/dbraw/zinc/63/21/90/1027632190.db2.gz FQCKKOXHLWFMBS-UHFFFAOYSA-N 1 3 344.528 3.663 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cccc3nccn32)CC1)CC1CC1 ZINC000342860433 1027694671 /nfs/dbraw/zinc/69/46/71/1027694671.db2.gz JNGNQFPUSXRAAL-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cccc3nccn32)CC1)CC1CC1 ZINC000342860433 1027694677 /nfs/dbraw/zinc/69/46/77/1027694677.db2.gz JNGNQFPUSXRAAL-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO C[C@H]1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261831699 1027865761 /nfs/dbraw/zinc/86/57/61/1027865761.db2.gz JEMIQNRNSUURSM-VBKZILBWSA-N 1 3 330.422 3.766 20 0 EHADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccc(OCCCc2ccccc2)c1 ZINC000422716990 1027885491 /nfs/dbraw/zinc/88/54/91/1027885491.db2.gz VCXZROVAFPQYCC-VXKWHMMOSA-N 1 3 338.495 3.710 20 0 EHADHO [NH3+][C@H]1C[C@H](NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc21 ZINC000422754517 1027920511 /nfs/dbraw/zinc/92/05/11/1027920511.db2.gz GCBSJZFWGWSLAA-PMACEKPBSA-N 1 3 340.442 3.608 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCCCCC1 ZINC000422755246 1027924705 /nfs/dbraw/zinc/92/47/05/1027924705.db2.gz GMONKABZMZSLLI-PZJWPPBQSA-N 1 3 344.499 3.571 20 0 EHADHO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422802370 1027954872 /nfs/dbraw/zinc/95/48/72/1027954872.db2.gz BGRUUNZXLLAIMR-CZAAIQMYSA-N 1 3 339.483 3.728 20 0 EHADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422840577 1027980499 /nfs/dbraw/zinc/98/04/99/1027980499.db2.gz UADCSJQYSQKYFV-MTFMMBMASA-N 1 3 347.934 3.819 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)c1ccsc1 ZINC000422869327 1027988008 /nfs/dbraw/zinc/98/80/08/1027988008.db2.gz XIDIMGLVVNZINU-NSISKUIASA-N 1 3 345.556 3.679 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000422854488 1027991106 /nfs/dbraw/zinc/99/11/06/1027991106.db2.gz CWXAKNPFVZTTOR-GCJKJVERSA-N 1 3 338.495 3.881 20 0 EHADHO Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000422886177 1028018590 /nfs/dbraw/zinc/01/85/90/1028018590.db2.gz IAMOYGMZZHYDKL-INIZCTEOSA-N 1 3 349.482 3.502 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnccc1N ZINC000422883547 1028021223 /nfs/dbraw/zinc/02/12/23/1028021223.db2.gz QSAOQVPSSFRYKQ-SJORKVTESA-N 1 3 338.499 3.719 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnccc1N ZINC000422883547 1028021238 /nfs/dbraw/zinc/02/12/38/1028021238.db2.gz QSAOQVPSSFRYKQ-SJORKVTESA-N 1 3 338.499 3.719 20 0 EHADHO CCc1cccc2c(CC[NH2+][C@H](C)c3ccc(CN)nc3C)c[nH]c21 ZINC000422915064 1028051274 /nfs/dbraw/zinc/05/12/74/1028051274.db2.gz WXXCZMMLMUBFCQ-CQSZACIVSA-N 1 3 336.483 3.786 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000422931540 1028060044 /nfs/dbraw/zinc/06/00/44/1028060044.db2.gz XTTCBIQGPNQKPI-GHTZIAJQSA-N 1 3 338.451 3.866 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(Br)c2)CCCC1 ZINC000422994654 1028099813 /nfs/dbraw/zinc/09/98/13/1028099813.db2.gz IGBKYFYTKPOWAX-CVEARBPZSA-N 1 3 337.305 3.730 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C[C@H](C)[NH3+])s2)cc1 ZINC000422984467 1028110817 /nfs/dbraw/zinc/11/08/17/1028110817.db2.gz XVZIMKBRPDIWBF-XQQFMLRXSA-N 1 3 333.501 3.904 20 0 EHADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004396 1028119118 /nfs/dbraw/zinc/11/91/18/1028119118.db2.gz OWLOFJUNKRSGSL-HZPDHXFCSA-N 1 3 330.394 3.515 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423047495 1028133718 /nfs/dbraw/zinc/13/37/18/1028133718.db2.gz GEOOIRWOLXDLSV-WMFXKJRFSA-N 1 3 329.257 3.755 20 0 EHADHO COc1ccc(C[C@H](C)CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000423026627 1028135466 /nfs/dbraw/zinc/13/54/66/1028135466.db2.gz QKFSWMNQLJIRAL-GDIGMMSISA-N 1 3 340.467 3.617 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000423063786 1028157003 /nfs/dbraw/zinc/15/70/03/1028157003.db2.gz PUSJXRDLFJOJKX-SJCJKPOMSA-N 1 3 337.389 3.845 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000423127436 1028193979 /nfs/dbraw/zinc/19/39/79/1028193979.db2.gz TVVDRUMMODQRLK-LRDDRELGSA-N 1 3 331.287 3.788 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423104314 1028195430 /nfs/dbraw/zinc/19/54/30/1028195430.db2.gz YGGGFYGOUDMWEI-SFNSOECISA-N 1 3 330.422 3.759 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423130291 1028196745 /nfs/dbraw/zinc/19/67/45/1028196745.db2.gz GOIDDBGSKVCTIA-GHMZBOCLSA-N 1 3 345.712 3.850 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1OC ZINC000502449709 1028220527 /nfs/dbraw/zinc/22/05/27/1028220527.db2.gz FAIPEQAIRJEFJC-QGZVFWFLSA-N 1 3 348.531 3.655 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[C@H]3OC(F)F)CC2)C1 ZINC000503938207 1028242948 /nfs/dbraw/zinc/24/29/48/1028242948.db2.gz SHBLJYCANZXHEQ-XLNGHYISSA-N 1 3 330.463 3.779 20 0 EHADHO C[C@H](N[C@@H]1CCCc2c(Br)cccc21)[C@H]1CCC[NH2+]C1 ZINC000423211323 1028256433 /nfs/dbraw/zinc/25/64/33/1028256433.db2.gz GVSKWXPIPIKMSI-GDZNZVCISA-N 1 3 337.305 3.804 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423187422 1028259296 /nfs/dbraw/zinc/25/92/96/1028259296.db2.gz PJSHPDAMXITHGU-JCGIZDLHSA-N 1 3 334.454 3.897 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@@H](NCC[C@H](C)[NH3+])CCC3)cc1 ZINC000423222804 1028291150 /nfs/dbraw/zinc/29/11/50/1028291150.db2.gz CQNGZNYUQLQBSA-WFASDCNBSA-N 1 3 331.485 3.523 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423286045 1028327020 /nfs/dbraw/zinc/32/70/20/1028327020.db2.gz ZHUHMPOMYGYION-JGGQBBKZSA-N 1 3 330.501 3.682 20 0 EHADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000423296411 1028352191 /nfs/dbraw/zinc/35/21/91/1028352191.db2.gz ZEAAHSNGHGIVKD-KSSFIOAISA-N 1 3 326.440 3.718 20 0 EHADHO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2(N)CCC2)cc1 ZINC000423321901 1028360092 /nfs/dbraw/zinc/36/00/92/1028360092.db2.gz IBEUTUUILCIKHN-LJQANCHMSA-N 1 3 328.431 3.589 20 0 EHADHO c1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc2c1C[NH2+]C2 ZINC000423406585 1028421800 /nfs/dbraw/zinc/42/18/00/1028421800.db2.gz ZBDGTQGXRWHREW-OAQYLSRUSA-N 1 3 334.463 3.782 20 0 EHADHO CC[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423466280 1028452937 /nfs/dbraw/zinc/45/29/37/1028452937.db2.gz NFYAFYFEPFGDBV-ZFWWWQNUSA-N 1 3 331.485 3.523 20 0 EHADHO Cc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000237235877 1028565718 /nfs/dbraw/zinc/56/57/18/1028565718.db2.gz LVXNXBCCCQZWAV-UHFFFAOYSA-N 1 3 343.902 3.690 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135650 1028583549 /nfs/dbraw/zinc/58/35/49/1028583549.db2.gz PPXOYGNRAPVVOA-DOTOQJQBSA-N 1 3 329.875 3.908 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccs1 ZINC000583038119 1028623999 /nfs/dbraw/zinc/62/39/99/1028623999.db2.gz DRIRLQXWCDLDSE-GBESFXJTSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccs1 ZINC000583038119 1028624006 /nfs/dbraw/zinc/62/40/06/1028624006.db2.gz DRIRLQXWCDLDSE-GBESFXJTSA-N 1 3 343.540 3.776 20 0 EHADHO Cc1nccn1CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669655 /nfs/dbraw/zinc/66/96/55/1028669655.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 1 3 332.536 3.558 20 0 EHADHO Cc1nccn1CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246624973 1028669665 /nfs/dbraw/zinc/66/96/65/1028669665.db2.gz QVXSMOMHAFGAEW-UYAOXDASSA-N 1 3 332.536 3.558 20 0 EHADHO COCc1ccccc1/C=C(/C)C[NH2+]CCCN1CCC(C)CC1 ZINC000509677852 1028723782 /nfs/dbraw/zinc/72/37/82/1028723782.db2.gz BOOFZUPLPFSBBA-CYVLTUHYSA-N 1 3 330.516 3.948 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000247113323 1028783168 /nfs/dbraw/zinc/78/31/68/1028783168.db2.gz UBBAWDNEQQTCKN-SJORKVTESA-N 1 3 332.488 3.619 20 0 EHADHO Cc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000248439692 1028905144 /nfs/dbraw/zinc/90/51/44/1028905144.db2.gz IVHJOJQASVCDLJ-HNAYVOBHSA-N 1 3 344.524 3.782 20 0 EHADHO Cc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000248439692 1028905165 /nfs/dbraw/zinc/90/51/65/1028905165.db2.gz IVHJOJQASVCDLJ-HNAYVOBHSA-N 1 3 344.524 3.782 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248449283 1028907084 /nfs/dbraw/zinc/90/70/84/1028907084.db2.gz OLPDQBYWUNLKKQ-YJBOKZPZSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccs1 ZINC000248449283 1028907100 /nfs/dbraw/zinc/90/71/00/1028907100.db2.gz OLPDQBYWUNLKKQ-YJBOKZPZSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H]1CC2(CN1Cc1csc(-c3ccsc3)n1)CC[NH2+]CC2 ZINC000424295905 1028938911 /nfs/dbraw/zinc/93/89/11/1028938911.db2.gz RPQZGHJDWCKDLT-ZDUSSCGKSA-N 1 3 333.526 3.836 20 0 EHADHO CCc1csc([C@@H]2CCCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275978 1028947975 /nfs/dbraw/zinc/94/79/75/1028947975.db2.gz BKGFOQUGHRPXDQ-CVEARBPZSA-N 1 3 347.503 3.767 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424325675 1028973383 /nfs/dbraw/zinc/97/33/83/1028973383.db2.gz XZSVIVKPZXUDAE-RCCFBDPRSA-N 1 3 329.513 3.889 20 0 EHADHO CCOC1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000249161569 1028993781 /nfs/dbraw/zinc/99/37/81/1028993781.db2.gz ZXXFLIBFFUEHGT-PYCJISIWSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414793521 1029097272 /nfs/dbraw/zinc/09/72/72/1029097272.db2.gz DNNQHCNTMUZFTL-KFNAQCHYSA-N 1 3 343.284 3.626 20 0 EHADHO C[C@H]([NH3+])c1ccc(CNCc2cc(Br)cs2)cc1 ZINC000414811220 1029304348 /nfs/dbraw/zinc/30/43/48/1029304348.db2.gz PGWQYPYQYMOKAL-JTQLQIEISA-N 1 3 325.275 3.820 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663497 1029556845 /nfs/dbraw/zinc/55/68/45/1029556845.db2.gz ILTXTJAVTSJBOU-KGVIQGDOSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272663497 1029556854 /nfs/dbraw/zinc/55/68/54/1029556854.db2.gz ILTXTJAVTSJBOU-KGVIQGDOSA-N 1 3 338.495 3.883 20 0 EHADHO Fc1ccc(OCCCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000481720276 1029891064 /nfs/dbraw/zinc/89/10/64/1029891064.db2.gz FVNZEYYDDRALEG-UHFFFAOYSA-N 1 3 334.479 3.981 20 0 EHADHO Fc1ccc(OCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000481720276 1029891077 /nfs/dbraw/zinc/89/10/77/1029891077.db2.gz FVNZEYYDDRALEG-UHFFFAOYSA-N 1 3 334.479 3.981 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000481735934 1029895673 /nfs/dbraw/zinc/89/56/73/1029895673.db2.gz BEFBKUXQDAQRGB-DZGCQCFKSA-N 1 3 325.294 3.638 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000481735934 1029895695 /nfs/dbraw/zinc/89/56/95/1029895695.db2.gz BEFBKUXQDAQRGB-DZGCQCFKSA-N 1 3 325.294 3.638 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000481735936 1029896406 /nfs/dbraw/zinc/89/64/06/1029896406.db2.gz BEFBKUXQDAQRGB-UKRRQHHQSA-N 1 3 325.294 3.638 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000481735936 1029896416 /nfs/dbraw/zinc/89/64/16/1029896416.db2.gz BEFBKUXQDAQRGB-UKRRQHHQSA-N 1 3 325.294 3.638 20 0 EHADHO COc1cccc2cc([C@H](C)NCc3cccc4c3CC[NH2+]C4)oc21 ZINC000635010425 1029951182 /nfs/dbraw/zinc/95/11/82/1029951182.db2.gz KUBFITNZPHKECC-AWEZNQCLSA-N 1 3 336.435 3.938 20 0 EHADHO Fc1ccc(-c2nc(CNCC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000278295264 1030021999 /nfs/dbraw/zinc/02/19/99/1030021999.db2.gz CCCBAAYLNAAMSS-UHFFFAOYSA-N 1 3 345.487 3.913 20 0 EHADHO COCC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335024 1030116859 /nfs/dbraw/zinc/11/68/59/1030116859.db2.gz FFPAWBBZBOERLN-JQFCIGGWSA-N 1 3 344.421 3.855 20 0 EHADHO COCC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335024 1030116862 /nfs/dbraw/zinc/11/68/62/1030116862.db2.gz FFPAWBBZBOERLN-JQFCIGGWSA-N 1 3 344.421 3.855 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928145 1030127304 /nfs/dbraw/zinc/12/73/04/1030127304.db2.gz QXJXDYPRQNTUQI-HUUCEWRRSA-N 1 3 328.422 3.958 20 0 EHADHO CCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)COC1 ZINC000453361479 1030138402 /nfs/dbraw/zinc/13/84/02/1030138402.db2.gz KCRLFIKNLBQPIA-PCCBWWKXSA-N 1 3 342.527 3.693 20 0 EHADHO COCC(C)(C)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772129 1030188139 /nfs/dbraw/zinc/18/81/39/1030188139.db2.gz KAKQVPOXNYTEBO-IBGZPJMESA-N 1 3 330.516 3.551 20 0 EHADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000090937087 1030198086 /nfs/dbraw/zinc/19/80/86/1030198086.db2.gz PEVNMSIIYJODJQ-GOSISDBHSA-N 1 3 347.890 3.916 20 0 EHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCCc3ccccc32)ccn1 ZINC000090936848 1030198753 /nfs/dbraw/zinc/19/87/53/1030198753.db2.gz ZBODKAJQSLYSAQ-FQEVSTJZSA-N 1 3 339.483 3.579 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000650758489 1030811715 /nfs/dbraw/zinc/81/17/15/1030811715.db2.gz QSGYYJJAGIYBHC-HNNXBMFYSA-N 1 3 328.456 3.582 20 0 EHADHO c1cc(-c2nc3ccccc3s2)oc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953585 1030862328 /nfs/dbraw/zinc/86/23/28/1030862328.db2.gz BNMQDOHCABMLSC-KRWDZBQOSA-N 1 3 339.464 3.788 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000551009952 1030909633 /nfs/dbraw/zinc/90/96/33/1030909633.db2.gz XRMMPOQCOOJLPU-RMVXJAJNSA-N 1 3 329.532 3.532 20 0 EHADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000926905037 1031039667 /nfs/dbraw/zinc/03/96/67/1031039667.db2.gz LAYLCCSMTFTASO-JKSUJKDBSA-N 1 3 336.442 3.587 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527639550 1031066968 /nfs/dbraw/zinc/06/69/68/1031066968.db2.gz GRXYYMJOGDRGDH-FCHUYYIVSA-N 1 3 343.559 3.720 20 0 EHADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515527 1031199646 /nfs/dbraw/zinc/19/96/46/1031199646.db2.gz QETNXAXLKGZROJ-MBSDFSHPSA-N 1 3 349.522 3.772 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000278525687 1031227130 /nfs/dbraw/zinc/22/71/30/1031227130.db2.gz QWEUDDPUYALMIH-MRXNPFEDSA-N 1 3 338.948 3.895 20 0 EHADHO Cc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000133055205 1031500482 /nfs/dbraw/zinc/50/04/82/1031500482.db2.gz CVSSSJYPCLLIQJ-UHFFFAOYSA-N 1 3 343.540 3.877 20 0 EHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178035017 1031608115 /nfs/dbraw/zinc/60/81/15/1031608115.db2.gz FVTXVNZYOXRCJF-NSHGMRRFSA-N 1 3 346.515 3.688 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@H](N(C)C)C(F)(F)F)CC2)C1 ZINC000926959961 1031969060 /nfs/dbraw/zinc/96/90/60/1031969060.db2.gz DBHPBQNRZOCKDA-PVAVHDDUSA-N 1 3 349.485 3.502 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC000182062632 1032056986 /nfs/dbraw/zinc/05/69/86/1032056986.db2.gz XTXIEPSODGOIEV-MRXNPFEDSA-N 1 3 339.483 3.948 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NC(C)=O)cc2)c1 ZINC000182062632 1032056997 /nfs/dbraw/zinc/05/69/97/1032056997.db2.gz XTXIEPSODGOIEV-MRXNPFEDSA-N 1 3 339.483 3.948 20 0 EHADHO Cc1cc(Cl)cc(C)c1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685458060 1033348344 /nfs/dbraw/zinc/34/83/44/1033348344.db2.gz ZPPDTLGCDNMYGF-LJQANCHMSA-N 1 3 349.950 3.557 20 0 EHADHO Cc1cc(Cl)cc(C)c1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685458060 1033348358 /nfs/dbraw/zinc/34/83/58/1033348358.db2.gz ZPPDTLGCDNMYGF-LJQANCHMSA-N 1 3 349.950 3.557 20 0 EHADHO CC(C)C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(=O)OC(C)(C)C ZINC000595001773 1033628826 /nfs/dbraw/zinc/62/88/26/1033628826.db2.gz YNEKZSMLUGVOHV-BZSNNMDCSA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)CC(=O)OC(C)(C)C ZINC000595001773 1033628829 /nfs/dbraw/zinc/62/88/29/1033628829.db2.gz YNEKZSMLUGVOHV-BZSNNMDCSA-N 1 3 338.536 3.597 20 0 EHADHO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cc2cc(Br)ccc2s1 ZINC001205069045 1033982795 /nfs/dbraw/zinc/98/27/95/1033982795.db2.gz SLDXZRCROQJOAU-GWCFXTLKSA-N 1 3 339.302 3.975 20 0 EHADHO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cc2cc(Br)ccc2s1 ZINC001205069045 1033982805 /nfs/dbraw/zinc/98/28/05/1033982805.db2.gz SLDXZRCROQJOAU-GWCFXTLKSA-N 1 3 339.302 3.975 20 0 EHADHO c1ccc(C2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658164396 1034029647 /nfs/dbraw/zinc/02/96/47/1034029647.db2.gz CVEMOULKLIGGFX-UHFFFAOYSA-N 1 3 335.495 3.829 20 0 EHADHO CC1CC[NH+](C2CCC(NCc3cnc4ccccc4n3)CC2)CC1 ZINC000628229978 1034535336 /nfs/dbraw/zinc/53/53/36/1034535336.db2.gz OMQHYGNPNGPJGU-UHFFFAOYSA-N 1 3 338.499 3.763 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC/C=C/c3ccccc3)CC2)CC1 ZINC000450581408 1034544607 /nfs/dbraw/zinc/54/46/07/1034544607.db2.gz FPRLIBFDRPQIPP-UXBLZVDNSA-N 1 3 341.543 3.580 20 0 EHADHO Cc1nc2ccccn2c1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000343823113 1034908349 /nfs/dbraw/zinc/90/83/49/1034908349.db2.gz WZZOFSPZYNAJJQ-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO Cc1nc2ccccn2c1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000343823113 1034908358 /nfs/dbraw/zinc/90/83/58/1034908358.db2.gz WZZOFSPZYNAJJQ-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO Clc1cccc(OCCNC2CC[NH+](C3CC3)CC2)c1Cl ZINC000571738667 1035635176 /nfs/dbraw/zinc/63/51/76/1035635176.db2.gz BRGLHLZTUUWYAK-UHFFFAOYSA-N 1 3 329.271 3.589 20 0 EHADHO Cc1cc2c(c(C)c1)[C@@H](NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000655732442 1035716518 /nfs/dbraw/zinc/71/65/18/1035716518.db2.gz BQNIRYVUUIMLPI-ACRUOGEOSA-N 1 3 342.527 3.648 20 0 EHADHO C[C@@H](c1ccc(F)cc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710165 1035979374 /nfs/dbraw/zinc/97/93/74/1035979374.db2.gz HSYYEYHWEHMUJR-ZACQAIPSSA-N 1 3 334.479 3.708 20 0 EHADHO COc1cc(C)c([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000171129156 1035992275 /nfs/dbraw/zinc/99/22/75/1035992275.db2.gz ANYXLLZFKWSGGY-INIZCTEOSA-N 1 3 342.483 3.925 20 0 EHADHO c1c2ccccc2oc1[C@@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000572234557 1036049526 /nfs/dbraw/zinc/04/95/26/1036049526.db2.gz IAAVKECKXCGCBT-TXXUCJGISA-N 1 3 347.462 3.895 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892585204 1036332080 /nfs/dbraw/zinc/33/20/80/1036332080.db2.gz RGBYQOVFTBZHDS-CYBMUJFWSA-N 1 3 349.466 3.992 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892585204 1036332089 /nfs/dbraw/zinc/33/20/89/1036332089.db2.gz RGBYQOVFTBZHDS-CYBMUJFWSA-N 1 3 349.466 3.992 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000180691057 1037096086 /nfs/dbraw/zinc/09/60/86/1037096086.db2.gz DLMSJVDSZMPPMM-INIZCTEOSA-N 1 3 344.421 3.591 20 0 EHADHO Fc1ccc2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2c1 ZINC000647543859 1037097877 /nfs/dbraw/zinc/09/78/77/1037097877.db2.gz SZAZVZPOWNDYNB-UONOGXRCSA-N 1 3 333.476 3.647 20 0 EHADHO COc1cccc([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000171129781 1037467435 /nfs/dbraw/zinc/46/74/35/1037467435.db2.gz OZZPUPZBNUKYDH-KRWDZBQOSA-N 1 3 342.483 3.877 20 0 EHADHO COc1ccc([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000171133109 1037478639 /nfs/dbraw/zinc/47/86/39/1037478639.db2.gz JHAFHBWQBQAMBJ-QGZVFWFLSA-N 1 3 342.483 3.877 20 0 EHADHO CC(C)(C)OCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532538691 1037570192 /nfs/dbraw/zinc/57/01/92/1037570192.db2.gz VMGOLUHDJXVZTK-WOJBJXKFSA-N 1 3 330.516 3.788 20 0 EHADHO CC(C)(C)OCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532538691 1037570201 /nfs/dbraw/zinc/57/02/01/1037570201.db2.gz VMGOLUHDJXVZTK-WOJBJXKFSA-N 1 3 330.516 3.788 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000151714732 1037575443 /nfs/dbraw/zinc/57/54/43/1037575443.db2.gz ZLCSWUKWEUJSHC-QGZVFWFLSA-N 1 3 338.499 3.930 20 0 EHADHO Cc1c([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cnn1-c1ccccc1 ZINC000760896767 1037691660 /nfs/dbraw/zinc/69/16/60/1037691660.db2.gz JJCKFVXXWMSJEN-QGZVFWFLSA-N 1 3 340.515 3.953 20 0 EHADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416183726 1038286521 /nfs/dbraw/zinc/28/65/21/1038286521.db2.gz LKNYLOLJATXIAI-FQEVSTJZSA-N 1 3 339.483 3.688 20 0 EHADHO Cc1nccn1CCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000125503222 1038336858 /nfs/dbraw/zinc/33/68/58/1038336858.db2.gz OBDWKGFHKQCVRZ-HXUWFJFHSA-N 1 3 332.536 3.560 20 0 EHADHO CCc1onc(C)c1CNCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000893226455 1038587200 /nfs/dbraw/zinc/58/72/00/1038587200.db2.gz RJZQZJLRGJYYCR-APWZRJJASA-N 1 3 341.499 3.936 20 0 EHADHO CCc1onc(C)c1CNCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000893226455 1038587209 /nfs/dbraw/zinc/58/72/09/1038587209.db2.gz RJZQZJLRGJYYCR-APWZRJJASA-N 1 3 341.499 3.936 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000539071455 1038670196 /nfs/dbraw/zinc/67/01/96/1038670196.db2.gz IIJOBEVJGLQCJY-HRQSHJORSA-N 1 3 348.506 3.941 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000539081455 1038674888 /nfs/dbraw/zinc/67/48/88/1038674888.db2.gz LBHZLYNINDCCFY-FXAWDEMLSA-N 1 3 344.499 3.702 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000539081455 1038674893 /nfs/dbraw/zinc/67/48/93/1038674893.db2.gz LBHZLYNINDCCFY-FXAWDEMLSA-N 1 3 344.499 3.702 20 0 EHADHO CCCc1ccc([C@@H]([NH2+]CCCN2CCN(CC)CC2)C(C)C)cc1 ZINC000539162941 1038711239 /nfs/dbraw/zinc/71/12/39/1038711239.db2.gz AGUGHIPQHQOKPV-QFIPXVFZSA-N 1 3 345.575 3.953 20 0 EHADHO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000582053898 1038754724 /nfs/dbraw/zinc/75/47/24/1038754724.db2.gz UEGMAOGJWHQVIR-BDKRGJGYSA-N 1 3 344.543 3.675 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000552265141 1039120516 /nfs/dbraw/zinc/12/05/16/1039120516.db2.gz LFVHUGMFPNNJHK-NMLBUPMWSA-N 1 3 330.541 3.772 20 0 EHADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(OCC2CCC2)c1 ZINC001168363035 1039582604 /nfs/dbraw/zinc/58/26/04/1039582604.db2.gz QXLXFSLHTNLVAJ-UHFFFAOYSA-N 1 3 328.500 3.830 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417303275 1039642299 /nfs/dbraw/zinc/64/22/99/1039642299.db2.gz ADCOCHDUCLYNSI-MDMSPXHWSA-N 1 3 336.545 3.719 20 0 EHADHO CO[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)CC(C)C ZINC000417369650 1039738713 /nfs/dbraw/zinc/73/87/13/1039738713.db2.gz PQGUPKKXNHTJBU-GHTZIAJQSA-N 1 3 332.532 3.733 20 0 EHADHO CO[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)CC(C)C ZINC000417369651 1039739316 /nfs/dbraw/zinc/73/93/16/1039739316.db2.gz PQGUPKKXNHTJBU-NQIIRXRSSA-N 1 3 332.532 3.733 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2c(C3CC3)cnn2C)CC1)CC1CC1 ZINC000667757488 1040053897 /nfs/dbraw/zinc/05/38/97/1040053897.db2.gz BBBFOKLMOCFECZ-UHFFFAOYSA-N 1 3 344.547 3.632 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2c(C3CC3)cnn2C)CC1)CC1CC1 ZINC000667757488 1040053914 /nfs/dbraw/zinc/05/39/14/1040053914.db2.gz BBBFOKLMOCFECZ-UHFFFAOYSA-N 1 3 344.547 3.632 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCS4)[C@H]3C2)cc1 ZINC000512632393 1040338985 /nfs/dbraw/zinc/33/89/85/1040338985.db2.gz ZZDKXCGERIURMG-MUGJNUQGSA-N 1 3 330.541 3.772 20 0 EHADHO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000479519908 1040339878 /nfs/dbraw/zinc/33/98/78/1040339878.db2.gz XGUZZMYUDQEQAU-DOIPELPJSA-N 1 3 344.543 3.674 20 0 EHADHO c1cc(CN[C@@H]2CO[C@H](C3CC3)C2)cc(C[NH+]2CCCCCC2)c1 ZINC000667821916 1040376668 /nfs/dbraw/zinc/37/66/68/1040376668.db2.gz QKGVMMGSVXYINF-SFTDATJTSA-N 1 3 328.500 3.720 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(OC(C)C)cc1 ZINC000567642496 1040476522 /nfs/dbraw/zinc/47/65/22/1040476522.db2.gz LINSNUOFISGFPN-OAHLLOKOSA-N 1 3 327.472 3.529 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)CC1 ZINC000553964826 1040613515 /nfs/dbraw/zinc/61/35/15/1040613515.db2.gz VOSNAMGEPCKYLN-KSEOMHKRSA-N 1 3 343.559 3.576 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](CCC3CCCCCC3)CC2)CC1 ZINC000570886402 1040964688 /nfs/dbraw/zinc/96/46/88/1040964688.db2.gz VPDLRBOQSGVISL-UHFFFAOYSA-N 1 3 335.580 3.696 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000481711138 1041290485 /nfs/dbraw/zinc/29/04/85/1041290485.db2.gz DPCBQLQGLGKXSV-GRDNDAEWSA-N 1 3 339.321 3.884 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000481711138 1041290492 /nfs/dbraw/zinc/29/04/92/1041290492.db2.gz DPCBQLQGLGKXSV-GRDNDAEWSA-N 1 3 339.321 3.884 20 0 EHADHO COC(=O)c1coc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000278848037 1042295449 /nfs/dbraw/zinc/29/54/49/1042295449.db2.gz VKUPRLDUFKXYGL-FAEJEUNOSA-N 1 3 348.487 3.760 20 0 EHADHO COC(=O)c1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057888676 1042321921 /nfs/dbraw/zinc/32/19/21/1042321921.db2.gz LJJMSFGYWBTAIU-UHFFFAOYSA-N 1 3 344.499 3.561 20 0 EHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348067 1042406180 /nfs/dbraw/zinc/40/61/80/1042406180.db2.gz TVLAVTZWLLKQQQ-FHIHXZLISA-N 1 3 340.870 3.758 20 0 EHADHO C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662325394 1042685448 /nfs/dbraw/zinc/68/54/48/1042685448.db2.gz FPLFBCSRMKLELN-HMXCVIKNSA-N 1 3 330.516 3.613 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925777259 1042901496 /nfs/dbraw/zinc/90/14/96/1042901496.db2.gz CWVYWAAFGOAWGL-OCCSQVGLSA-N 1 3 334.357 3.574 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404098 1043099257 /nfs/dbraw/zinc/09/92/57/1043099257.db2.gz CUDPNONUSMIQQQ-ZWKOTPCHSA-N 1 3 330.516 3.717 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000432404098 1043099267 /nfs/dbraw/zinc/09/92/67/1043099267.db2.gz CUDPNONUSMIQQQ-ZWKOTPCHSA-N 1 3 330.516 3.717 20 0 EHADHO CCCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432424267 1043165977 /nfs/dbraw/zinc/16/59/77/1043165977.db2.gz NRBCPJJFCLNUSF-QZTJIDSGSA-N 1 3 334.504 3.627 20 0 EHADHO CCCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432424267 1043165979 /nfs/dbraw/zinc/16/59/79/1043165979.db2.gz NRBCPJJFCLNUSF-QZTJIDSGSA-N 1 3 334.504 3.627 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000163215775 1043915803 /nfs/dbraw/zinc/91/58/03/1043915803.db2.gz JHWRZJIBPHUNBO-IRXDYDNUSA-N 1 3 346.519 3.553 20 0 EHADHO CCn1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000307968369 1125677264 /nfs/dbraw/zinc/67/72/64/1125677264.db2.gz VTPDVWRAMVKBRA-JXFKEZNVSA-N 1 3 340.515 3.520 20 0 EHADHO CCC[NH+]1CCC(NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000620863628 1125784289 /nfs/dbraw/zinc/78/42/89/1125784289.db2.gz QMJYYKKZGKTHDW-FQEVSTJZSA-N 1 3 349.950 3.941 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356560 1126928754 /nfs/dbraw/zinc/92/87/54/1126928754.db2.gz XAUNNABTDZBSBV-RBUKOAKNSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1(C)C ZINC000623356560 1126928756 /nfs/dbraw/zinc/92/87/56/1126928756.db2.gz XAUNNABTDZBSBV-RBUKOAKNSA-N 1 3 349.950 3.939 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528602 1126976491 /nfs/dbraw/zinc/97/64/91/1126976491.db2.gz VLRFSHYLXTZGJB-PKOBYXMFSA-N 1 3 328.500 3.543 20 0 EHADHO C[N@H+]1CC[C@H](N[C@@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528602 1126976495 /nfs/dbraw/zinc/97/64/95/1126976495.db2.gz VLRFSHYLXTZGJB-PKOBYXMFSA-N 1 3 328.500 3.543 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528601 1126976626 /nfs/dbraw/zinc/97/66/26/1126976626.db2.gz VLRFSHYLXTZGJB-MJGOQNOKSA-N 1 3 328.500 3.543 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528601 1126976629 /nfs/dbraw/zinc/97/66/29/1126976629.db2.gz VLRFSHYLXTZGJB-MJGOQNOKSA-N 1 3 328.500 3.543 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000178036927 1127005124 /nfs/dbraw/zinc/00/51/24/1127005124.db2.gz FYJYATXWQPAQSA-MJBXVCDLSA-N 1 3 344.421 3.644 20 0 EHADHO C[C@@H]1C[C@@H](NC2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430756 1127154940 /nfs/dbraw/zinc/15/49/40/1127154940.db2.gz LMKPLEKAOMDCJP-CJNGLKHVSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H]1C[C@@H](NC2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430756 1127154941 /nfs/dbraw/zinc/15/49/41/1127154941.db2.gz LMKPLEKAOMDCJP-CJNGLKHVSA-N 1 3 337.305 3.901 20 0 EHADHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(C)sc1C ZINC000623978600 1127226989 /nfs/dbraw/zinc/22/69/89/1127226989.db2.gz YTTWXAKTAXNXDC-GOSISDBHSA-N 1 3 337.577 3.822 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120752 1127255896 /nfs/dbraw/zinc/25/58/96/1127255896.db2.gz GHVUKKNWNWQQSH-GDBMZVCRSA-N 1 3 328.422 3.958 20 0 EHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123239 1127256808 /nfs/dbraw/zinc/25/68/08/1127256808.db2.gz IJGWCANKZXAZJZ-GOEBONIOSA-N 1 3 328.422 3.958 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000624120902 1127255576 /nfs/dbraw/zinc/25/55/76/1127255576.db2.gz JSHKCJXBDIVCPG-KGLIPLIRSA-N 1 3 330.394 3.968 20 0 EHADHO C[C@H](CC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)N1CCCCC1 ZINC000184498913 1127406419 /nfs/dbraw/zinc/40/64/19/1127406419.db2.gz ZBMSTGRKQWSCNH-QZTJIDSGSA-N 1 3 326.488 3.787 20 0 EHADHO COCc1cccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381355286 1127483359 /nfs/dbraw/zinc/48/33/59/1127483359.db2.gz NJCOHELHXDPCEU-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381355286 1127483362 /nfs/dbraw/zinc/48/33/62/1127483362.db2.gz NJCOHELHXDPCEU-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000381355286 1127483364 /nfs/dbraw/zinc/48/33/64/1127483364.db2.gz NJCOHELHXDPCEU-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000282196181 1128058923 /nfs/dbraw/zinc/05/89/23/1128058923.db2.gz GNRHLEPJXNXYFS-HNNXBMFYSA-N 1 3 331.529 3.578 20 0 EHADHO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000655835337 1128492189 /nfs/dbraw/zinc/49/21/89/1128492189.db2.gz NQHYGTVVLFCWRR-VGSGFSFPSA-N 1 3 349.522 3.903 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@H](CC)[NH+]2CCCC2)c2ccccc21 ZINC000338692889 1128611715 /nfs/dbraw/zinc/61/17/15/1128611715.db2.gz KFLGOCZJBQGZOP-PWIZWCRZSA-N 1 3 344.499 3.632 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@H](O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC001168465182 1120532917 /nfs/dbraw/zinc/53/29/17/1120532917.db2.gz AOCTZTUQJGVYKJ-IRXDYDNUSA-N 1 3 346.437 3.693 20 0 EHADHO c1ccc(CN2CC[C@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000192926406 1120753797 /nfs/dbraw/zinc/75/37/97/1120753797.db2.gz UJOXNQJFBHZXLR-LJQANCHMSA-N 1 3 334.463 3.574 20 0 EHADHO Cc1nc2ccccn2c1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397908747 1121942141 /nfs/dbraw/zinc/94/21/41/1121942141.db2.gz BRUWSSMLYOYSFP-QFIPXVFZSA-N 1 3 348.494 3.787 20 0 EHADHO Cc1nc2ccccn2c1CNC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397908747 1121942150 /nfs/dbraw/zinc/94/21/50/1121942150.db2.gz BRUWSSMLYOYSFP-QFIPXVFZSA-N 1 3 348.494 3.787 20 0 EHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000126537354 1122411705 /nfs/dbraw/zinc/41/17/05/1122411705.db2.gz QICYJCBLBVYYPV-KBXCAEBGSA-N 1 3 334.891 3.936 20 0 EHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccs1 ZINC000126690305 1122419353 /nfs/dbraw/zinc/41/93/53/1122419353.db2.gz JHPABLYDLDCKNQ-LJQANCHMSA-N 1 3 343.540 3.736 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126744261 1122422346 /nfs/dbraw/zinc/42/23/46/1122422346.db2.gz JAUIKTWXXAMGQN-IBGZPJMESA-N 1 3 337.511 3.593 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233824 1122886821 /nfs/dbraw/zinc/88/68/21/1122886821.db2.gz SIXGWJFQTOXIKM-WIYYLYMNSA-N 1 3 342.527 3.693 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)c1OC ZINC000556862871 1123152755 /nfs/dbraw/zinc/15/27/55/1123152755.db2.gz FJGXQHWEGDSGAD-SJORKVTESA-N 1 3 348.531 3.655 20 0 EHADHO CC(C)Cc1cccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000556876284 1123157881 /nfs/dbraw/zinc/15/78/81/1123157881.db2.gz OFZCVFWJMACDDK-SFHVURJKSA-N 1 3 331.548 3.562 20 0 EHADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868637 1123159084 /nfs/dbraw/zinc/15/90/84/1123159084.db2.gz URCMZBZAVUCUBA-CJNGLKHVSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868637 1123159085 /nfs/dbraw/zinc/15/90/85/1123159085.db2.gz URCMZBZAVUCUBA-CJNGLKHVSA-N 1 3 330.394 3.968 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000556886392 1123166821 /nfs/dbraw/zinc/16/68/21/1123166821.db2.gz LYZZOCBJGSEHSF-SGCGGLILSA-N 1 3 342.527 3.834 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153865 1123253549 /nfs/dbraw/zinc/25/35/49/1123253549.db2.gz BACJHZAOQMQGBK-CIAFKFPVSA-N 1 3 348.490 3.775 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153865 1123253553 /nfs/dbraw/zinc/25/35/53/1123253553.db2.gz BACJHZAOQMQGBK-CIAFKFPVSA-N 1 3 348.490 3.775 20 0 EHADHO C[C@@H](CN1CCCCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245689561 1123925915 /nfs/dbraw/zinc/92/59/15/1123925915.db2.gz KDEYKLRZGYXRJJ-UVUJQTEASA-N 1 3 341.543 3.646 20 0 EHADHO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245689547 1123925932 /nfs/dbraw/zinc/92/59/32/1123925932.db2.gz KDEYKLRZGYXRJJ-JKLQHZFJSA-N 1 3 341.543 3.646 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC000247064944 1124585514 /nfs/dbraw/zinc/58/55/14/1124585514.db2.gz OAGMEQOHOWTERL-JFIYKMOQSA-N 1 3 334.504 3.692 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000248035585 1124636984 /nfs/dbraw/zinc/63/69/84/1124636984.db2.gz RLAZUCUBVYMPSU-RCCFBDPRSA-N 1 3 335.561 3.593 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000248035585 1124636988 /nfs/dbraw/zinc/63/69/88/1124636988.db2.gz RLAZUCUBVYMPSU-RCCFBDPRSA-N 1 3 335.561 3.593 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353596403 1124954233 /nfs/dbraw/zinc/95/42/33/1124954233.db2.gz QRXVLVXGKDOGPU-ICSRJNTNSA-N 1 3 338.499 3.677 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000353596403 1124954236 /nfs/dbraw/zinc/95/42/36/1124954236.db2.gz QRXVLVXGKDOGPU-ICSRJNTNSA-N 1 3 338.499 3.677 20 0 EHADHO C[C@H]1C[C@H](CCNCc2ccncc2F)C[N@@H+]1Cc1ccccc1 ZINC000449206158 1124969417 /nfs/dbraw/zinc/96/94/17/1124969417.db2.gz AALOTFOWRRRFST-WMZOPIPTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H]1C[C@H](CCNCc2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000449206158 1124969423 /nfs/dbraw/zinc/96/94/23/1124969423.db2.gz AALOTFOWRRRFST-WMZOPIPTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2ccccc2n1C ZINC000091286819 1124973779 /nfs/dbraw/zinc/97/37/79/1124973779.db2.gz KYLZCFNISZKTRF-KURKYZTESA-N 1 3 342.531 3.982 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)cc1CN1CCCCC1 ZINC000183007472 1125418390 /nfs/dbraw/zinc/41/83/90/1125418390.db2.gz HELLTMKRACLQFS-BZSNNMDCSA-N 1 3 348.531 3.739 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)ccc1OC ZINC000183016318 1125420265 /nfs/dbraw/zinc/42/02/65/1125420265.db2.gz OIJZETCDNZRDNH-ZWOKBUDYSA-N 1 3 348.531 3.739 20 0 EHADHO C1C[C@H]([C@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)CO1 ZINC000466343544 1129393132 /nfs/dbraw/zinc/39/31/32/1129393132.db2.gz MCJZVJPJZBUTDP-CMKODMSKSA-N 1 3 334.548 3.968 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883325 1131553183 /nfs/dbraw/zinc/55/31/83/1131553183.db2.gz NLWKZWQYTAUFQQ-AEFFLSMTSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883325 1131553188 /nfs/dbraw/zinc/55/31/88/1131553188.db2.gz NLWKZWQYTAUFQQ-AEFFLSMTSA-N 1 3 342.483 3.714 20 0 EHADHO CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001172458432 1131750615 /nfs/dbraw/zinc/75/06/15/1131750615.db2.gz YUURBXXWKZUDKP-VXSCBNMQSA-N 1 3 344.543 3.938 20 0 EHADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@H]1F ZINC001206200349 1132069944 /nfs/dbraw/zinc/06/99/44/1132069944.db2.gz RESGCMSMNMBOIC-IAGOWNOFSA-N 1 3 333.838 3.663 20 0 EHADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)CC[C@H]1F ZINC001206200349 1132069949 /nfs/dbraw/zinc/06/99/49/1132069949.db2.gz RESGCMSMNMBOIC-IAGOWNOFSA-N 1 3 333.838 3.663 20 0 EHADHO C[N@@H+]1CCc2ccc(NC3=CCN(Cc4ccccc4)CC3)cc2C1 ZINC001175507631 1132694826 /nfs/dbraw/zinc/69/48/26/1132694826.db2.gz VBADGQVURRNGAS-UHFFFAOYSA-N 1 3 333.479 3.876 20 0 EHADHO C[N@H+]1CCc2ccc(NC3=CCN(Cc4ccccc4)CC3)cc2C1 ZINC001175507631 1132694831 /nfs/dbraw/zinc/69/48/31/1132694831.db2.gz VBADGQVURRNGAS-UHFFFAOYSA-N 1 3 333.479 3.876 20 0 EHADHO CCN(CC)Cc1cccc(N2CCCc3ccc(C[NH3+])nc32)c1F ZINC001169591712 1132790465 /nfs/dbraw/zinc/79/04/65/1132790465.db2.gz KZKMLZSMSRWNMZ-UHFFFAOYSA-N 1 3 342.462 3.606 20 0 EHADHO CC1(C)CC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC(C)(C)N1O ZINC001169987871 1133103441 /nfs/dbraw/zinc/10/34/41/1133103441.db2.gz DZYMZXPSZUAAHL-KRWDZBQOSA-N 1 3 349.563 3.808 20 0 EHADHO CC[C@@]1(O)CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073185 1133453890 /nfs/dbraw/zinc/45/38/90/1133453890.db2.gz NMYXYQUVNDFRTK-FGZHOGPDSA-N 1 3 344.543 3.772 20 0 EHADHO CC[C@@]1(O)CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073185 1133453893 /nfs/dbraw/zinc/45/38/93/1133453893.db2.gz NMYXYQUVNDFRTK-FGZHOGPDSA-N 1 3 344.543 3.772 20 0 EHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C12CCCCC2 ZINC001183094873 1133768575 /nfs/dbraw/zinc/76/85/75/1133768575.db2.gz LYKQDAZYOAAYBQ-VAMGGRTRSA-N 1 3 334.548 3.826 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184387467 1133933844 /nfs/dbraw/zinc/93/38/44/1133933844.db2.gz KRXMODMSMREDEZ-ODVANORSSA-N 1 3 326.406 3.566 20 0 EHADHO CC[N@@H+](Cc1ccc(F)nc1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000787194637 1133973243 /nfs/dbraw/zinc/97/32/43/1133973243.db2.gz CACWDLPECGYZSU-LJQANCHMSA-N 1 3 341.474 3.873 20 0 EHADHO CC[N@H+](Cc1ccc(F)nc1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000787194637 1133973250 /nfs/dbraw/zinc/97/32/50/1133973250.db2.gz CACWDLPECGYZSU-LJQANCHMSA-N 1 3 341.474 3.873 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCSC2)ccc1OC ZINC000790498937 1134426656 /nfs/dbraw/zinc/42/66/56/1134426656.db2.gz VSHCBSGPAJCYDU-HZPDHXFCSA-N 1 3 336.545 3.941 20 0 EHADHO Cc1ccc(CCC[NH2+]C2CCN(CC3CCCCC3)CC2)cn1 ZINC000792947573 1134831711 /nfs/dbraw/zinc/83/17/11/1134831711.db2.gz MLFSOTLTWADQRM-UHFFFAOYSA-N 1 3 329.532 3.957 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CC3)C2)ccn1 ZINC001196393802 1135554670 /nfs/dbraw/zinc/55/46/70/1135554670.db2.gz RZOBFFBMVFTLBZ-HXUWFJFHSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC3CC3)C2)ccn1 ZINC001196393802 1135554676 /nfs/dbraw/zinc/55/46/76/1135554676.db2.gz RZOBFFBMVFTLBZ-HXUWFJFHSA-N 1 3 331.504 3.565 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC001199328763 1135898389 /nfs/dbraw/zinc/89/83/89/1135898389.db2.gz IUJVKDJKZHQFTF-OAQYLSRUSA-N 1 3 343.559 3.883 20 0 EHADHO Cc1noc(C)c1CN1CCCC12CC[NH+](CCC(F)(F)F)CC2 ZINC001202320293 1136128889 /nfs/dbraw/zinc/12/88/89/1136128889.db2.gz ZQKBDGVNJSQRPJ-UHFFFAOYSA-N 1 3 345.409 3.674 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001170688091 1136258325 /nfs/dbraw/zinc/25/83/25/1136258325.db2.gz RZNBANSWHLAAOL-LPHOPBHVSA-N 1 3 346.478 3.978 20 0 EHADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001170688091 1136258329 /nfs/dbraw/zinc/25/83/29/1136258329.db2.gz RZNBANSWHLAAOL-LPHOPBHVSA-N 1 3 346.478 3.978 20 0 EHADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccsc3)C2)ccn1 ZINC000856560556 1136794779 /nfs/dbraw/zinc/79/47/79/1136794779.db2.gz IJSIQAUFDSUPCU-IBGZPJMESA-N 1 3 345.512 3.637 20 0 EHADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccsc3)C2)ccn1 ZINC000856560556 1136794781 /nfs/dbraw/zinc/79/47/81/1136794781.db2.gz IJSIQAUFDSUPCU-IBGZPJMESA-N 1 3 345.512 3.637 20 0 EHADHO Cc1ccc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)cc1 ZINC000817897696 1136843916 /nfs/dbraw/zinc/84/39/16/1136843916.db2.gz VTKIHDXFPOQYLP-RCZSKKKRSA-N 1 3 337.511 3.512 20 0 EHADHO [NH3+][C@H]1C[C@H](NCCCCC(=O)OCc2ccccc2)c2ccccc21 ZINC000817922338 1136846076 /nfs/dbraw/zinc/84/60/76/1136846076.db2.gz UUBZVYJRWDJXIV-PMACEKPBSA-N 1 3 338.451 3.635 20 0 EHADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817949629 1136850513 /nfs/dbraw/zinc/85/05/13/1136850513.db2.gz SOUHHDDRKLUSNA-NSHDSACASA-N 1 3 338.282 3.928 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000817962121 1136851879 /nfs/dbraw/zinc/85/18/79/1136851879.db2.gz GFDAOKZCWZSUNN-HOTGVXAUSA-N 1 3 337.467 3.684 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCN[C@H](C)C3)CC2)cc1 ZINC000817971183 1136853823 /nfs/dbraw/zinc/85/38/23/1136853823.db2.gz KGKZUDYFIKGTRO-GXVGGZGZSA-N 1 3 330.516 3.670 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CNC[C@@H](O)c2ccccc2)CC1 ZINC000818955905 1136895346 /nfs/dbraw/zinc/89/53/46/1136895346.db2.gz FQJGCUOCYCZKRT-JOCHJYFZSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000819078554 1136911359 /nfs/dbraw/zinc/91/13/59/1136911359.db2.gz JQDBCPVDTACUEL-KKSFZXQISA-N 1 3 342.458 3.674 20 0 EHADHO Cc1ccc([C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000819078287 1136912025 /nfs/dbraw/zinc/91/20/25/1136912025.db2.gz IHQPSLQYNXFONT-PGRDOPGGSA-N 1 3 338.495 3.844 20 0 EHADHO CN1C[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000857916379 1136922488 /nfs/dbraw/zinc/92/24/88/1136922488.db2.gz OUCOSWIFYXLQDX-SQNIBIBYSA-N 1 3 341.886 3.657 20 0 EHADHO Clc1cncc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001136993024 1137166653 /nfs/dbraw/zinc/16/66/53/1137166653.db2.gz VADCLQGITOSNHE-UHFFFAOYSA-N 1 3 345.874 3.816 20 0 EHADHO Clc1cncc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001136993024 1137166655 /nfs/dbraw/zinc/16/66/55/1137166655.db2.gz VADCLQGITOSNHE-UHFFFAOYSA-N 1 3 345.874 3.816 20 0 EHADHO CCN(Cc1ccc(OC)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143873237 1137207441 /nfs/dbraw/zinc/20/74/41/1137207441.db2.gz MIMKZQSRQDUNFI-UHFFFAOYSA-N 1 3 346.393 3.510 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772904823 1137230973 /nfs/dbraw/zinc/23/09/73/1137230973.db2.gz RHCCUYMPHUQRSH-FOIQADDNSA-N 1 3 337.467 3.697 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772904823 1137230974 /nfs/dbraw/zinc/23/09/74/1137230974.db2.gz RHCCUYMPHUQRSH-FOIQADDNSA-N 1 3 337.467 3.697 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000339069668 1137233993 /nfs/dbraw/zinc/23/39/93/1137233993.db2.gz KKRIEPRIQCCWLW-LVCYWYKZSA-N 1 3 330.516 3.851 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000794828470 1137267760 /nfs/dbraw/zinc/26/77/60/1137267760.db2.gz PLUDAWXXUBVTMB-WBVHZDCISA-N 1 3 329.875 3.908 20 0 EHADHO CC1CC[NH+](C2CCC(NCc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000865508661 1137290135 /nfs/dbraw/zinc/29/01/35/1137290135.db2.gz QBHWOQLXADCFNL-UHFFFAOYSA-N 1 3 343.471 3.666 20 0 EHADHO CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000716682874 1137488435 /nfs/dbraw/zinc/48/84/35/1137488435.db2.gz QOVPGKBDMUAXBU-ACRUOGEOSA-N 1 3 342.527 3.836 20 0 EHADHO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171624793 1137501398 /nfs/dbraw/zinc/50/13/98/1137501398.db2.gz XSBUENXURSEDHS-CQSZACIVSA-N 1 3 341.540 3.531 20 0 EHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807992 1137513858 /nfs/dbraw/zinc/51/38/58/1137513858.db2.gz WWGAKUYACKNBPZ-UYAOXDASSA-N 1 3 338.470 3.747 20 0 EHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807992 1137513860 /nfs/dbraw/zinc/51/38/60/1137513860.db2.gz WWGAKUYACKNBPZ-UYAOXDASSA-N 1 3 338.470 3.747 20 0 EHADHO CC1(C)C[C@@H]([NH2+]Cc2ccnc(F)c2)CCN1Cc1ccccc1 ZINC001171974398 1137524434 /nfs/dbraw/zinc/52/44/34/1137524434.db2.gz FNPSEHXQJALFAF-SFHVURJKSA-N 1 3 327.447 3.754 20 0 EHADHO CO[C@@H](C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172086575 1137532043 /nfs/dbraw/zinc/53/20/43/1137532043.db2.gz HLOVXRBHJWXIDX-VRXWPRPYSA-N 1 3 328.500 3.539 20 0 EHADHO CO[C@@H](C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086575 1137532044 /nfs/dbraw/zinc/53/20/44/1137532044.db2.gz HLOVXRBHJWXIDX-VRXWPRPYSA-N 1 3 328.500 3.539 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172101886 1137532627 /nfs/dbraw/zinc/53/26/27/1137532627.db2.gz IBLXMCQETCPONZ-KJJMTIBFSA-N 1 3 341.543 3.504 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C2 ZINC001172098159 1137532646 /nfs/dbraw/zinc/53/26/46/1137532646.db2.gz AVHYQFQIRFSFGD-PHZGNYQRSA-N 1 3 341.268 3.693 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C2 ZINC001172102260 1137536498 /nfs/dbraw/zinc/53/64/98/1137536498.db2.gz LMZMYWMLRVCNSY-QDMKHBRRSA-N 1 3 330.369 3.949 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](c2cccc(F)c2)C2CCC2)CC1 ZINC001172246582 1137544346 /nfs/dbraw/zinc/54/43/46/1137544346.db2.gz OJPWUKBXFRFDKH-HXUWFJFHSA-N 1 3 334.479 3.757 20 0 EHADHO COc1ccccc1CC1(N)CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172371482 1137555274 /nfs/dbraw/zinc/55/52/74/1137555274.db2.gz UNAJNFGYEUEQIZ-ZHALLVOQSA-N 1 3 330.516 3.856 20 0 EHADHO CCOCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001172417579 1137556346 /nfs/dbraw/zinc/55/63/46/1137556346.db2.gz WIMZDHWRUCNYPS-MRXNPFEDSA-N 1 3 338.923 3.957 20 0 EHADHO Brc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000872107395 1137571542 /nfs/dbraw/zinc/57/15/42/1137571542.db2.gz QBXLTCNGEHEUNK-SJORKVTESA-N 1 3 349.316 3.697 20 0 EHADHO Brc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000872107395 1137571543 /nfs/dbraw/zinc/57/15/43/1137571543.db2.gz QBXLTCNGEHEUNK-SJORKVTESA-N 1 3 349.316 3.697 20 0 EHADHO C[C@@H](N[C@@H](c1cc2ccccc2o1)c1cccnc1)C1CC[NH2+]CC1 ZINC000873269812 1137595860 /nfs/dbraw/zinc/59/58/60/1137595860.db2.gz UIOMHSQKQRWTAM-QVKFZJNVSA-N 1 3 335.451 3.895 20 0 EHADHO CC(C)n1cc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001137080874 1137616700 /nfs/dbraw/zinc/61/67/00/1137616700.db2.gz XIFJCSFSAYDIDU-UHFFFAOYSA-N 1 3 340.515 3.808 20 0 EHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877085359 1137669925 /nfs/dbraw/zinc/66/99/25/1137669925.db2.gz UJTUMFZPSZVAJS-QRQCRPRQSA-N 1 3 330.453 3.706 20 0 EHADHO Nc1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000877487325 1137677962 /nfs/dbraw/zinc/67/79/62/1137677962.db2.gz SSTQWTPSAMVCPK-INIZCTEOSA-N 1 3 329.875 3.534 20 0 EHADHO CCc1ccc2nccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727280 1137832676 /nfs/dbraw/zinc/83/26/76/1137832676.db2.gz RAUBVSFKSJLHSQ-GOSISDBHSA-N 1 3 339.483 3.535 20 0 EHADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000883083843 1137844090 /nfs/dbraw/zinc/84/40/90/1137844090.db2.gz AGACWIBUYCZLPE-QAPCUYQASA-N 1 3 343.902 3.922 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000886364408 1138070942 /nfs/dbraw/zinc/07/09/42/1138070942.db2.gz YNAKEKIWBDLOKV-HXUWFJFHSA-N 1 3 328.431 3.543 20 0 EHADHO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886534524 1138091851 /nfs/dbraw/zinc/09/18/51/1138091851.db2.gz KASZEMIQQBUUPN-WSWWRLHASA-N 1 3 342.527 3.834 20 0 EHADHO CC1(C)[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1(F)F ZINC000886638478 1138104536 /nfs/dbraw/zinc/10/45/36/1138104536.db2.gz VOFXXYQROOQLCW-XSLAGTTESA-N 1 3 334.454 3.920 20 0 EHADHO CC(=O)Nc1cccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000123598018 1138272021 /nfs/dbraw/zinc/27/20/21/1138272021.db2.gz ZBGVTEIMGCMSOL-OAHLLOKOSA-N 1 3 325.456 3.557 20 0 EHADHO C[C@@H](N[C@@H]1CCCc2occc21)c1cccc(OCC[NH+](C)C)c1 ZINC000152248299 1139081881 /nfs/dbraw/zinc/08/18/81/1139081881.db2.gz ZDYAZMHFRGIPSM-DNVCBOLYSA-N 1 3 328.456 3.948 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000178039430 1139664685 /nfs/dbraw/zinc/66/46/85/1139664685.db2.gz WEETWLUBVGOWBE-JYJNAYRXSA-N 1 3 347.528 3.836 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000182226578 1139959148 /nfs/dbraw/zinc/95/91/48/1139959148.db2.gz HUDSQKFMLDGCJW-HRAATJIYSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000182226578 1139959151 /nfs/dbraw/zinc/95/91/51/1139959151.db2.gz HUDSQKFMLDGCJW-HRAATJIYSA-N 1 3 342.458 3.633 20 0 EHADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000188445907 1140296683 /nfs/dbraw/zinc/29/66/83/1140296683.db2.gz BAFOLVCPHJBEDW-SFTDATJTSA-N 1 3 342.458 3.633 20 0 EHADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(F)c1 ZINC000188445907 1140296686 /nfs/dbraw/zinc/29/66/86/1140296686.db2.gz BAFOLVCPHJBEDW-SFTDATJTSA-N 1 3 342.458 3.633 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000268764221 1140985624 /nfs/dbraw/zinc/98/56/24/1140985624.db2.gz IPCJRXOVHAJXFR-UXHICEINSA-N 1 3 347.934 3.521 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000268764221 1140985627 /nfs/dbraw/zinc/98/56/27/1140985627.db2.gz IPCJRXOVHAJXFR-UXHICEINSA-N 1 3 347.934 3.521 20 0 EHADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835582 1141004781 /nfs/dbraw/zinc/00/47/81/1141004781.db2.gz RXHASIMEZNGCGP-UONOGXRCSA-N 1 3 342.405 3.763 20 0 EHADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835582 1141004789 /nfs/dbraw/zinc/00/47/89/1141004789.db2.gz RXHASIMEZNGCGP-UONOGXRCSA-N 1 3 342.405 3.763 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268928659 1141028056 /nfs/dbraw/zinc/02/80/56/1141028056.db2.gz YUPLIQGJKKFQLJ-ROUUACIJSA-N 1 3 326.488 3.643 20 0 EHADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270921414 1141283520 /nfs/dbraw/zinc/28/35/20/1141283520.db2.gz PBZCMIBSBKRSPR-LJQANCHMSA-N 1 3 329.532 3.546 20 0 EHADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn2ccccc2n1 ZINC000550886579 370700902 /nfs/dbraw/zinc/70/09/02/370700902.db2.gz IBZRVLSGJJRDBS-KZNAEPCWSA-N 1 3 328.504 3.743 20 0 EHADHO C[C@@H]([NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1)c1cnn(C)c1 ZINC000153841253 1014161746 /nfs/dbraw/zinc/16/17/46/1014161746.db2.gz ZOQBYCUBSGGCOU-IAGOWNOFSA-N 1 3 326.488 3.734 20 0 EHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1nccs1 ZINC000274763978 1015018324 /nfs/dbraw/zinc/01/83/24/1015018324.db2.gz KSGPBNTVLIXFNK-SOLBZPMBSA-N 1 3 329.513 3.747 20 0 EHADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1nccs1 ZINC000274763964 1015018889 /nfs/dbraw/zinc/01/88/89/1015018889.db2.gz KSGPBNTVLIXFNK-JFIYKMOQSA-N 1 3 329.513 3.747 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(Br)c1 ZINC000037644538 1016132697 /nfs/dbraw/zinc/13/26/97/1016132697.db2.gz CALFKPXLIVFULZ-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644538 1016132709 /nfs/dbraw/zinc/13/27/09/1016132709.db2.gz CALFKPXLIVFULZ-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(Br)c1 ZINC000037644538 1016132717 /nfs/dbraw/zinc/13/27/17/1016132717.db2.gz CALFKPXLIVFULZ-CZUORRHYSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000538116445 1032141443 /nfs/dbraw/zinc/14/14/43/1032141443.db2.gz KMMHIJOWRBWMCB-BRWVUGGUSA-N 1 3 338.923 3.750 20 0 EHADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(C(=O)OC)cc1 ZINC000340350784 1017003933 /nfs/dbraw/zinc/00/39/33/1017003933.db2.gz IXUOQZCFKKPYIP-APWZRJJASA-N 1 3 332.488 3.778 20 0 EHADHO Cc1ccc2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)n2c1 ZINC000536697811 1032158993 /nfs/dbraw/zinc/15/89/93/1032158993.db2.gz RFLZYWCOXFAFMK-UHFFFAOYSA-N 1 3 340.515 3.731 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000538125984 1032166029 /nfs/dbraw/zinc/16/60/29/1032166029.db2.gz RUECEVGSPFODLW-GOSISDBHSA-N 1 3 339.483 3.797 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)F)nc1 ZINC000657842542 1032209866 /nfs/dbraw/zinc/20/98/66/1032209866.db2.gz UWJIZYCZUSUSJZ-AWEZNQCLSA-N 1 3 349.425 3.810 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cc(CO)ccc2F)CC1)CC1CC1 ZINC000528432183 1032269780 /nfs/dbraw/zinc/26/97/80/1032269780.db2.gz OYAJYEKSCJUIPD-UHFFFAOYSA-N 1 3 348.506 3.652 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cc(CO)ccc2F)CC1)CC1CC1 ZINC000528432183 1032269789 /nfs/dbraw/zinc/26/97/89/1032269789.db2.gz OYAJYEKSCJUIPD-UHFFFAOYSA-N 1 3 348.506 3.652 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449218501 1032334446 /nfs/dbraw/zinc/33/44/46/1032334446.db2.gz IXBHVRGTBNIEBX-AZUAARDMSA-N 1 3 349.950 3.593 20 0 EHADHO C[NH+](C)Cc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC000449224138 1032342844 /nfs/dbraw/zinc/34/28/44/1032342844.db2.gz ZXLFCZZIJIGYMM-UHFFFAOYSA-N 1 3 340.467 3.589 20 0 EHADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)c(Br)c1 ZINC000037197205 1122173894 /nfs/dbraw/zinc/17/38/94/1122173894.db2.gz WOCKDSLETMSFPC-NSHDSACASA-N 1 3 331.273 3.827 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423013803 1032488103 /nfs/dbraw/zinc/48/81/03/1032488103.db2.gz GUUHMDIVMCXEHW-FASAQXTFSA-N 1 3 345.874 3.683 20 0 EHADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1COc2ccccc21 ZINC000090845374 1032601913 /nfs/dbraw/zinc/60/19/13/1032601913.db2.gz HAROGUDBQMWTDG-OXJNMPFZSA-N 1 3 328.500 3.938 20 0 EHADHO Cc1cccnc1CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000449486333 1032642467 /nfs/dbraw/zinc/64/24/67/1032642467.db2.gz UCHDWZDPOMKTTG-MQSCRBSSSA-N 1 3 349.522 3.823 20 0 EHADHO Cc1ccc(OCc2nc(CNC[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000415013257 1017393881 /nfs/dbraw/zinc/39/38/81/1017393881.db2.gz YIZNSGVYAWXEPH-HZPDHXFCSA-N 1 3 345.512 3.638 20 0 EHADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1csc(-c2ccccc2F)n1 ZINC000655804305 1017651663 /nfs/dbraw/zinc/65/16/63/1017651663.db2.gz TVMYJUNGIMQZHD-MCIONIFRSA-N 1 3 333.476 3.940 20 0 EHADHO COc1ccc(-c2ccncc2)cc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000580301724 1017717790 /nfs/dbraw/zinc/71/77/90/1017717790.db2.gz KFSOJSJENOXSBB-YRNRMSPPSA-N 1 3 339.483 3.562 20 0 EHADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)ccn1 ZINC000340473048 1017995598 /nfs/dbraw/zinc/99/55/98/1017995598.db2.gz GJFLOMPQFGMFRD-KRWDZBQOSA-N 1 3 339.483 3.927 20 0 EHADHO COc1ccc(CNCc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000893018970 1018176502 /nfs/dbraw/zinc/17/65/02/1018176502.db2.gz OVWDHKVQDIRKMY-UHFFFAOYSA-N 1 3 340.423 3.803 20 0 EHADHO COc1ccc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000893018970 1018176509 /nfs/dbraw/zinc/17/65/09/1018176509.db2.gz OVWDHKVQDIRKMY-UHFFFAOYSA-N 1 3 340.423 3.803 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cc(Cl)ccc1Cl)C2 ZINC000513138621 1019081897 /nfs/dbraw/zinc/08/18/97/1019081897.db2.gz JJAFLJOPMKTUER-YIONKMFJSA-N 1 3 343.298 3.929 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cc(Cl)ccc1Cl)C2 ZINC000513138621 1019081915 /nfs/dbraw/zinc/08/19/15/1019081915.db2.gz JJAFLJOPMKTUER-YIONKMFJSA-N 1 3 343.298 3.929 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560453 1032808155 /nfs/dbraw/zinc/80/81/55/1032808155.db2.gz LJWIRFQWOPKBCS-FENUFBNTSA-N 1 3 336.426 3.906 20 0 EHADHO FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCCN(C[C@@H]3CCCO3)C2)C1 ZINC001279467556 1019724383 /nfs/dbraw/zinc/72/43/83/1019724383.db2.gz OGTDNNCUFSVXQK-IRXDYDNUSA-N 1 3 348.453 3.686 20 0 EHADHO FC(F)(F)CCC[N@H+]1CCC[C@]2(CCCN(C[C@@H]3CCCO3)C2)C1 ZINC001279467556 1019724401 /nfs/dbraw/zinc/72/44/01/1019724401.db2.gz OGTDNNCUFSVXQK-IRXDYDNUSA-N 1 3 348.453 3.686 20 0 EHADHO COCc1ccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513487459 1019744961 /nfs/dbraw/zinc/74/49/61/1019744961.db2.gz FDGASMVVTLDWPT-MJGOQNOKSA-N 1 3 342.483 3.816 20 0 EHADHO COCc1ccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487459 1019744973 /nfs/dbraw/zinc/74/49/73/1019744973.db2.gz FDGASMVVTLDWPT-MJGOQNOKSA-N 1 3 342.483 3.816 20 0 EHADHO CC1(CNCc2csc(-c3ccc(Cl)cc3)n2)CC[NH2+]CC1 ZINC000580702211 1019878708 /nfs/dbraw/zinc/87/87/08/1019878708.db2.gz SXWCURUKRYMUIT-UHFFFAOYSA-N 1 3 335.904 3.943 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000581200035 1020512609 /nfs/dbraw/zinc/51/26/09/1020512609.db2.gz LMRWPYDYHGUSAI-MNOVXSKESA-N 1 3 337.678 3.885 20 0 EHADHO Clc1cc(Cl)cc(OCC2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647888163 1020663442 /nfs/dbraw/zinc/66/34/42/1020663442.db2.gz UVWRDRPMBPKDGM-CQSZACIVSA-N 1 3 343.298 3.694 20 0 EHADHO CC[C@H](c1ccccc1)[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000501098624 1020704060 /nfs/dbraw/zinc/70/40/60/1020704060.db2.gz AEAJHZXFMXJJBW-OAQYLSRUSA-N 1 3 331.548 3.876 20 0 EHADHO CC[C@H](c1ccccc1)[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000501098624 1020704067 /nfs/dbraw/zinc/70/40/67/1020704067.db2.gz AEAJHZXFMXJJBW-OAQYLSRUSA-N 1 3 331.548 3.876 20 0 EHADHO C[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276164347 1020789384 /nfs/dbraw/zinc/78/93/84/1020789384.db2.gz HJOSCQJUCADLQH-KFWWJZLASA-N 1 3 328.460 3.732 20 0 EHADHO Brc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341180143 1021049679 /nfs/dbraw/zinc/04/96/79/1021049679.db2.gz DWTJVLKFPUBSDV-SCLBCKFNSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341180143 1021049680 /nfs/dbraw/zinc/04/96/80/1021049680.db2.gz DWTJVLKFPUBSDV-SCLBCKFNSA-N 1 3 349.316 3.900 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558280 1032969894 /nfs/dbraw/zinc/96/98/94/1032969894.db2.gz KMAJYJBGFQVJIX-MJGOQNOKSA-N 1 3 344.499 3.676 20 0 EHADHO CC(C)(C)OC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602558280 1032969902 /nfs/dbraw/zinc/96/99/02/1032969902.db2.gz KMAJYJBGFQVJIX-MJGOQNOKSA-N 1 3 344.499 3.676 20 0 EHADHO Fc1ccc2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656784068 1021337941 /nfs/dbraw/zinc/33/79/41/1021337941.db2.gz YJDMHOCLLPIIPS-AWEZNQCLSA-N 1 3 333.476 3.647 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1O ZINC000426403108 1021505570 /nfs/dbraw/zinc/50/55/70/1021505570.db2.gz VNNCFTIFKFDEMS-IAGOWNOFSA-N 1 3 334.504 3.576 20 0 EHADHO CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000517236296 1022157934 /nfs/dbraw/zinc/15/79/34/1022157934.db2.gz QIMRIGSXLXGZBH-NRFANRHFSA-N 1 3 340.515 3.721 20 0 EHADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000471795855 1022245905 /nfs/dbraw/zinc/24/59/05/1022245905.db2.gz BKNSTDXEUBPBMG-NJDAHSKKSA-N 1 3 344.543 3.818 20 0 EHADHO CC(=O)c1c(C)cc(C)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000517567638 1022464017 /nfs/dbraw/zinc/46/40/17/1022464017.db2.gz WFECTBRTBHEQDV-IBGZPJMESA-N 1 3 328.500 3.636 20 0 EHADHO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OCc1cccs1 ZINC000517742133 1022614046 /nfs/dbraw/zinc/61/40/46/1022614046.db2.gz NKJVMPZAUJRFCB-KBPBESRZSA-N 1 3 334.485 3.551 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNCc1c[nH]nc1-c1cccnc1 ZINC000042907562 1022627482 /nfs/dbraw/zinc/62/74/82/1022627482.db2.gz GDQDMJQIUFHPRX-UHFFFAOYSA-N 1 3 349.482 3.603 20 0 EHADHO C[C@H]1C[C@H](NC(Cc2ccccc2F)Cc2ccccc2F)CC[NH2+]1 ZINC000414952376 1022995090 /nfs/dbraw/zinc/99/50/90/1022995090.db2.gz QPUVDGXIZHAROK-MAUKXSAKSA-N 1 3 344.449 3.849 20 0 EHADHO C[C@H]1C[C@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CCN1 ZINC000414952376 1022995105 /nfs/dbraw/zinc/99/51/05/1022995105.db2.gz QPUVDGXIZHAROK-MAUKXSAKSA-N 1 3 344.449 3.849 20 0 EHADHO CO[C@H](CN1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000513959759 1023987084 /nfs/dbraw/zinc/98/70/84/1023987084.db2.gz SSFNDLGTOVYYTO-LJQANCHMSA-N 1 3 336.907 3.835 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)c(Cl)c1 ZINC000414848016 1024184722 /nfs/dbraw/zinc/18/47/22/1024184722.db2.gz VOXRCRNVVQFCAB-AWEZNQCLSA-N 1 3 337.895 3.617 20 0 EHADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CCCC1 ZINC000623853797 1024303896 /nfs/dbraw/zinc/30/38/96/1024303896.db2.gz IBYJQFQZYFNEFH-GFCCVEGCSA-N 1 3 349.828 3.760 20 0 EHADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NCCC[NH+]1CCCC1 ZINC000623853797 1024303912 /nfs/dbraw/zinc/30/39/12/1024303912.db2.gz IBYJQFQZYFNEFH-GFCCVEGCSA-N 1 3 349.828 3.760 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@H]3CCCO[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048192 1024345709 /nfs/dbraw/zinc/34/57/09/1024345709.db2.gz UMEBHYDLFZKOEE-HVYFLLBWSA-N 1 3 342.527 3.929 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@H]3CCCO[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048192 1024345717 /nfs/dbraw/zinc/34/57/17/1024345717.db2.gz UMEBHYDLFZKOEE-HVYFLLBWSA-N 1 3 342.527 3.929 20 0 EHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCSC(C)(C)CC2)CC1 ZINC000435050035 1024579119 /nfs/dbraw/zinc/57/91/19/1024579119.db2.gz QDGYHGBCOBCGFV-UHFFFAOYSA-N 1 3 347.572 3.546 20 0 EHADHO CCN1CCN(c2ccccc2C[N@H+]2CCSC(C)(C)CC2)CC1 ZINC000435050035 1024579132 /nfs/dbraw/zinc/57/91/32/1024579132.db2.gz QDGYHGBCOBCGFV-UHFFFAOYSA-N 1 3 347.572 3.546 20 0 EHADHO C[C@H]1CC([NH2+]Cc2cnc3ccccn23)C[C@H](C)N1Cc1ccccc1 ZINC001168008795 1024625014 /nfs/dbraw/zinc/62/50/14/1024625014.db2.gz YAYUSEMAPFJSCT-ROUUACIJSA-N 1 3 348.494 3.866 20 0 EHADHO C[C@@H](CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253974 1024947249 /nfs/dbraw/zinc/94/72/49/1024947249.db2.gz DXNCLRCVUFVKNR-APHBMKBZSA-N 1 3 332.385 3.982 20 0 EHADHO Fc1cc(-c2ccncc2)ccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347007927 1025404239 /nfs/dbraw/zinc/40/42/39/1025404239.db2.gz DRJVUNLURYGTFV-OAQYLSRUSA-N 1 3 339.458 3.852 20 0 EHADHO CCCOc1c(CN2CCC(C[NH2+]CC)CC2)cccc1OCC ZINC000347081307 1025500422 /nfs/dbraw/zinc/50/04/22/1025500422.db2.gz XUXNNTIJQKQVJA-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1OC ZINC000474822626 1025516339 /nfs/dbraw/zinc/51/63/39/1025516339.db2.gz PSKXQUMORVSDBG-MXSMSXNCSA-N 1 3 334.504 3.658 20 0 EHADHO CCCOc1c(Cl)cc(CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442918630 1025598441 /nfs/dbraw/zinc/59/84/41/1025598441.db2.gz HQUCIXKXXBSUCL-AWEZNQCLSA-N 1 3 340.895 3.698 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000530318994 1025628199 /nfs/dbraw/zinc/62/81/99/1025628199.db2.gz ZNNYODFWZFACTQ-GJZGRUSLSA-N 1 3 326.431 3.603 20 0 EHADHO C[C@@H]1CC([NH2+]Cc2ccccc2CO)C[C@@H](C)N1Cc1ccccc1 ZINC001168015823 1025888938 /nfs/dbraw/zinc/88/89/38/1025888938.db2.gz SLFWZEUDCATXME-QZTJIDSGSA-N 1 3 338.495 3.710 20 0 EHADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000121833543 1025902005 /nfs/dbraw/zinc/90/20/05/1025902005.db2.gz MZAVYIOCPVCMGK-WMZOPIPTSA-N 1 3 326.488 3.563 20 0 EHADHO Clc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1Br ZINC000192165831 1026111436 /nfs/dbraw/zinc/11/14/36/1026111436.db2.gz YTMDOLBLTDZHIC-GFCCVEGCSA-N 1 3 343.696 3.676 20 0 EHADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582414609 1026196008 /nfs/dbraw/zinc/19/60/08/1026196008.db2.gz NKKQKYHYXWXJCX-TUNNFDKTSA-N 1 3 334.463 3.828 20 0 EHADHO CCOc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000475291926 1026436972 /nfs/dbraw/zinc/43/69/72/1026436972.db2.gz QPLNIWOWUPZSSE-LJQANCHMSA-N 1 3 342.458 3.836 20 0 EHADHO CCOc1cc2nccc(N3CCC[N@H+](CC)CC3)c2cc1OCC ZINC000301518129 1026835328 /nfs/dbraw/zinc/83/53/28/1026835328.db2.gz KIFNHSQRSZHJJD-UHFFFAOYSA-N 1 3 343.471 3.564 20 0 EHADHO CCOc1cc2nccc(N3CCC[N@@H+](CC)CC3)c2cc1OCC ZINC000301518129 1026835333 /nfs/dbraw/zinc/83/53/33/1026835333.db2.gz KIFNHSQRSZHJJD-UHFFFAOYSA-N 1 3 343.471 3.564 20 0 EHADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290476 1027446055 /nfs/dbraw/zinc/44/60/55/1027446055.db2.gz JFIKTTHVONELAY-CQSZACIVSA-N 1 3 344.890 3.665 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303845 1027451904 /nfs/dbraw/zinc/45/19/04/1027451904.db2.gz NQYPUNXCZHWGJA-PXNSSMCTSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303845 1027451911 /nfs/dbraw/zinc/45/19/11/1027451911.db2.gz NQYPUNXCZHWGJA-PXNSSMCTSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccccc2OC)cc1 ZINC000420303845 1027451919 /nfs/dbraw/zinc/45/19/19/1027451919.db2.gz NQYPUNXCZHWGJA-PXNSSMCTSA-N 1 3 340.467 3.583 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420316047 1027464578 /nfs/dbraw/zinc/46/45/78/1027464578.db2.gz SNDDVAUWJSTLPI-VXKWHMMOSA-N 1 3 337.511 3.686 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420316047 1027464584 /nfs/dbraw/zinc/46/45/84/1027464584.db2.gz SNDDVAUWJSTLPI-VXKWHMMOSA-N 1 3 337.511 3.686 20 0 EHADHO Cc1cccc(-c2c[nH]c([C@H]3CCCN3CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000420320429 1027466965 /nfs/dbraw/zinc/46/69/65/1027466965.db2.gz QFJOAPDRSLXZBX-FXAWDEMLSA-N 1 3 338.499 3.912 20 0 EHADHO Cc1ccc([C@H](C)CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000628158118 1027720526 /nfs/dbraw/zinc/72/05/26/1027720526.db2.gz FKQRXHAEPUDMFG-NJDAHSKKSA-N 1 3 343.559 3.589 20 0 EHADHO c1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422728128 1027896652 /nfs/dbraw/zinc/89/66/52/1027896652.db2.gz FDUIPAZMSWVIDC-JAXLGGSGSA-N 1 3 334.463 3.910 20 0 EHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422768453 1027925645 /nfs/dbraw/zinc/92/56/45/1027925645.db2.gz UPRDRMGRUNGULK-BBRMVZONSA-N 1 3 343.284 3.628 20 0 EHADHO Fc1cccc2c1CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422773374 1027928484 /nfs/dbraw/zinc/92/84/84/1027928484.db2.gz YNUJNYCRPMIVKW-ZVDOUQERSA-N 1 3 338.426 3.659 20 0 EHADHO CN1CCCC[C@@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167625400 1027949588 /nfs/dbraw/zinc/94/95/88/1027949588.db2.gz WWHVMKQZLDWNKG-QGZVFWFLSA-N 1 3 330.520 3.723 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422808130 1027956953 /nfs/dbraw/zinc/95/69/53/1027956953.db2.gz AKGBLSVZBXKERN-ZBEGNZNMSA-N 1 3 325.294 3.544 20 0 EHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422835379 1027977630 /nfs/dbraw/zinc/97/76/30/1027977630.db2.gz IQAUTFPCNGZJFP-VNTMZGSJSA-N 1 3 330.541 3.917 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422847662 1027986548 /nfs/dbraw/zinc/98/65/48/1027986548.db2.gz IQMXRYCDPRLADX-YUTCNCBUSA-N 1 3 329.410 3.868 20 0 EHADHO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccsc1 ZINC000422859447 1027997746 /nfs/dbraw/zinc/99/77/46/1027997746.db2.gz KAYQJLPKDNOELS-LIRRHRJNSA-N 1 3 346.544 3.644 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422842840 1028005065 /nfs/dbraw/zinc/00/50/65/1028005065.db2.gz GPVXTLZDPMJVGO-YTQUADARSA-N 1 3 335.923 3.584 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881959 1028015373 /nfs/dbraw/zinc/01/53/73/1028015373.db2.gz RJVXSODFDPAEPO-CVEARBPZSA-N 1 3 343.298 3.511 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255782 1028028450 /nfs/dbraw/zinc/02/84/50/1028028450.db2.gz NTCYFPVZKCYAPA-GHTZIAJQSA-N 1 3 328.500 3.706 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000502255782 1028028456 /nfs/dbraw/zinc/02/84/56/1028028456.db2.gz NTCYFPVZKCYAPA-GHTZIAJQSA-N 1 3 328.500 3.706 20 0 EHADHO CCCCOc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422893228 1028048357 /nfs/dbraw/zinc/04/83/57/1028048357.db2.gz PMXVJANXLRENPN-OAHLLOKOSA-N 1 3 327.472 3.878 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C12CCCCC2 ZINC000422924067 1028054446 /nfs/dbraw/zinc/05/44/46/1028054446.db2.gz XMOJXQPKHVOWJQ-ZYSHUDEJSA-N 1 3 331.504 3.627 20 0 EHADHO C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422925102 1028056589 /nfs/dbraw/zinc/05/65/89/1028056589.db2.gz VCCSOALJUFJECU-KMHZDYFNSA-N 1 3 348.918 3.784 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937449 1028067061 /nfs/dbraw/zinc/06/70/61/1028067061.db2.gz GMVFNRRQHYDDKT-RDJZCZTQSA-N 1 3 338.904 3.834 20 0 EHADHO CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422943646 1028083589 /nfs/dbraw/zinc/08/35/89/1028083589.db2.gz QUZGWTHLWIYMGW-ZIAGYGMSSA-N 1 3 343.471 3.668 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000422951337 1028087244 /nfs/dbraw/zinc/08/72/44/1028087244.db2.gz YDOGQOBYPRPFQL-RTBURBONSA-N 1 3 337.398 3.758 20 0 EHADHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423009425 1028122078 /nfs/dbraw/zinc/12/20/78/1028122078.db2.gz VPCQTMILHVQUHA-NHCUHLMSSA-N 1 3 341.499 3.661 20 0 EHADHO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCC2)cc1 ZINC000423030491 1028138204 /nfs/dbraw/zinc/13/82/04/1028138204.db2.gz JYWBOTAEUYHOHZ-HNNXBMFYSA-N 1 3 339.483 3.630 20 0 EHADHO CC(C)N1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423040872 1028146041 /nfs/dbraw/zinc/14/60/41/1028146041.db2.gz IFBFFVJGZCYMDU-DSIZOQBWSA-N 1 3 341.902 3.718 20 0 EHADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000657689272 1028146273 /nfs/dbraw/zinc/14/62/73/1028146273.db2.gz LKTDJSGJCJIWQW-GHTZIAJQSA-N 1 3 344.547 3.518 20 0 EHADHO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423056859 1028154200 /nfs/dbraw/zinc/15/42/00/1028154200.db2.gz YVICDAHDVOJARI-RHSMWYFYSA-N 1 3 339.483 3.628 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccnc(Oc2ccccc2F)c1 ZINC000423089311 1028176153 /nfs/dbraw/zinc/17/61/53/1028176153.db2.gz SAMWHLLZRYABKQ-NVXWUHKLSA-N 1 3 329.419 3.620 20 0 EHADHO CC1(C)Cc2ccc(Br)cc2[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000423125417 1028190794 /nfs/dbraw/zinc/19/07/94/1028190794.db2.gz IBUUUQAATIULFO-GOEBONIOSA-N 1 3 337.305 3.804 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CNCC1(C)CC[NH+](C)CC1 ZINC000503905546 1028196115 /nfs/dbraw/zinc/19/61/15/1028196115.db2.gz ZKWKZGCVWFPAOM-UHFFFAOYSA-N 1 3 331.287 3.824 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423108353 1028202100 /nfs/dbraw/zinc/20/21/00/1028202100.db2.gz RAXPKSRFBVTAOB-ZMYBRWDISA-N 1 3 336.907 3.785 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000423206383 1028276791 /nfs/dbraw/zinc/27/67/91/1028276791.db2.gz BXVSMUIGYKZMIP-IVMMDQJWSA-N 1 3 337.305 3.723 20 0 EHADHO C[C@@H](N[C@H]1C[C@@H](C)c2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC000423214919 1028282657 /nfs/dbraw/zinc/28/26/57/1028282657.db2.gz MAAJPIOUYBOIMC-FOCJUVANSA-N 1 3 337.305 3.975 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H](NCC[C@H](C)[NH3+])CCC3)cc1 ZINC000423222803 1028290666 /nfs/dbraw/zinc/29/06/66/1028290666.db2.gz CQNGZNYUQLQBSA-SWLSCSKDSA-N 1 3 331.485 3.523 20 0 EHADHO C[C@H]([NH3+])CCN[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423225013 1028291757 /nfs/dbraw/zinc/29/17/57/1028291757.db2.gz KXJVUTMRQRBOLP-BONVTDFDSA-N 1 3 336.277 3.635 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2sc(Br)cc21 ZINC000423286167 1028325436 /nfs/dbraw/zinc/32/54/36/1028325436.db2.gz ZTDRVFZIWVDDCY-DLOVCJGASA-N 1 3 329.307 3.605 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCc2sc(Br)cc21 ZINC000423286169 1028326851 /nfs/dbraw/zinc/32/68/51/1028326851.db2.gz ZTDRVFZIWVDDCY-WCQGTBRESA-N 1 3 329.307 3.605 20 0 EHADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423307817 1028344584 /nfs/dbraw/zinc/34/45/84/1028344584.db2.gz NUQMNWOBYYGWKG-IUCAKERBSA-N 1 3 339.199 3.713 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2(N)CCC2)cc1 ZINC000423321900 1028360989 /nfs/dbraw/zinc/36/09/89/1028360989.db2.gz IBEUTUUILCIKHN-IBGZPJMESA-N 1 3 328.431 3.589 20 0 EHADHO Fc1cc(Br)ccc1[C@@H](NCC1=CC[NH2+]CC1)C1CC1 ZINC000423357027 1028385070 /nfs/dbraw/zinc/38/50/70/1028385070.db2.gz RRUHJMGXADMQHE-INIZCTEOSA-N 1 3 339.252 3.549 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423387763 1028403052 /nfs/dbraw/zinc/40/30/52/1028403052.db2.gz IEIVEBOKRXUBNG-ISWURRPUSA-N 1 3 326.406 3.929 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@@H](C)N)CCC3)cc1 ZINC000423436033 1028444339 /nfs/dbraw/zinc/44/43/39/1028444339.db2.gz FERLZVTVDOTSGT-LALPHHSUSA-N 1 3 331.485 3.521 20 0 EHADHO COc1ccccc1COC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000162208881 1028506145 /nfs/dbraw/zinc/50/61/45/1028506145.db2.gz GLTNASSDQRWUPZ-UHFFFAOYSA-N 1 3 346.515 3.552 20 0 EHADHO C[C@H](NCCC1=CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423546952 1028509816 /nfs/dbraw/zinc/50/98/16/1028509816.db2.gz ZQGOQKNMBNCBJF-ZDUSSCGKSA-N 1 3 331.460 3.910 20 0 EHADHO Fc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000414778882 1028896816 /nfs/dbraw/zinc/89/68/16/1028896816.db2.gz JMRMJXJHOHNNHX-KGLIPLIRSA-N 1 3 330.369 3.666 20 0 EHADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Oc2ccccc2)cc1 ZINC000424289223 1028931190 /nfs/dbraw/zinc/93/11/90/1028931190.db2.gz BRXKMGMKCKSAMS-WOJBJXKFSA-N 1 3 326.440 3.717 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000123873122 1029057130 /nfs/dbraw/zinc/05/71/30/1029057130.db2.gz DVZDYPBKKLXCBI-INIZCTEOSA-N 1 3 339.483 3.948 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000123873122 1029057141 /nfs/dbraw/zinc/05/71/41/1029057141.db2.gz DVZDYPBKKLXCBI-INIZCTEOSA-N 1 3 339.483 3.948 20 0 EHADHO CC[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647936725 1029090842 /nfs/dbraw/zinc/09/08/42/1029090842.db2.gz KILFXNOPNAAYNC-CJNGLKHVSA-N 1 3 330.394 3.534 20 0 EHADHO C[NH2+]C[C@@H]1CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262039196 1029554733 /nfs/dbraw/zinc/55/47/33/1029554733.db2.gz YAIDWUQUGLDZGO-HNNXBMFYSA-N 1 3 330.422 3.638 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338213 1029815222 /nfs/dbraw/zinc/81/52/22/1029815222.db2.gz ORJMJZTUWIGRGI-XMSQKQJNSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338213 1029815231 /nfs/dbraw/zinc/81/52/31/1029815231.db2.gz ORJMJZTUWIGRGI-XMSQKQJNSA-N 1 3 338.495 3.976 20 0 EHADHO C[C@@H](c1ccccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000583500626 1029962892 /nfs/dbraw/zinc/96/28/92/1029962892.db2.gz QYWRGBGWYIICMH-ZFWWWQNUSA-N 1 3 337.305 3.832 20 0 EHADHO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453240281 1029966522 /nfs/dbraw/zinc/96/65/22/1029966522.db2.gz VQOSKAFMFNNTAW-JKLQHZFJSA-N 1 3 344.543 3.675 20 0 EHADHO COCC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335026 1030117272 /nfs/dbraw/zinc/11/72/72/1030117272.db2.gz FFPAWBBZBOERLN-XYPHTWIQSA-N 1 3 344.421 3.855 20 0 EHADHO COCC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335026 1030117280 /nfs/dbraw/zinc/11/72/80/1030117280.db2.gz FFPAWBBZBOERLN-XYPHTWIQSA-N 1 3 344.421 3.855 20 0 EHADHO CC[C@H](C)Oc1cc(CNCc2ccccc2C[NH2+]C)ccc1OC ZINC000650718483 1030145213 /nfs/dbraw/zinc/14/52/13/1030145213.db2.gz OREACVDGZNXEHB-INIZCTEOSA-N 1 3 342.483 3.882 20 0 EHADHO Cc1ccc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)nc1 ZINC000453404707 1030211782 /nfs/dbraw/zinc/21/17/82/1030211782.db2.gz BPDQUWMAKKFBPL-LJQANCHMSA-N 1 3 337.511 3.618 20 0 EHADHO FC1(F)CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000453422664 1030274186 /nfs/dbraw/zinc/27/41/86/1030274186.db2.gz MZLAGKJCHFCYPV-GUDVDZBRSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CNc3ccccc3C2)CC1 ZINC000650747827 1030565565 /nfs/dbraw/zinc/56/55/65/1030565565.db2.gz IKNRXCARIFFLGD-XMSQKQJNSA-N 1 3 349.522 3.708 20 0 EHADHO CCc1nc2c(s1)[C@@H](N(C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000568051089 1030660246 /nfs/dbraw/zinc/66/02/46/1030660246.db2.gz WRKPRTXPXPAYFC-SFHVURJKSA-N 1 3 341.524 3.861 20 0 EHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000550896207 1030776305 /nfs/dbraw/zinc/77/63/05/1030776305.db2.gz XZKVZJXYYRKTOO-HNNXBMFYSA-N 1 3 344.478 3.925 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172203 1030844412 /nfs/dbraw/zinc/84/44/12/1030844412.db2.gz HQHCUGDTPGGZJO-KSSFIOAISA-N 1 3 329.513 3.891 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172203 1030844434 /nfs/dbraw/zinc/84/44/34/1030844434.db2.gz HQHCUGDTPGGZJO-KSSFIOAISA-N 1 3 329.513 3.891 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993769 1031402968 /nfs/dbraw/zinc/40/29/68/1031402968.db2.gz IDMXBCUDWMHIGY-CJNGLKHVSA-N 1 3 337.305 3.644 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995626 1031432936 /nfs/dbraw/zinc/43/29/36/1031432936.db2.gz UQXMFNUMCRJQDI-GDBMZVCRSA-N 1 3 349.906 3.630 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995542 1031442092 /nfs/dbraw/zinc/44/20/92/1031442092.db2.gz QVXDDFCZNDHISY-QFBILLFUSA-N 1 3 343.515 3.791 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC23CC(C2)CO3)cc1CN1CCCCC1 ZINC000527978395 1031514558 /nfs/dbraw/zinc/51/45/58/1031514558.db2.gz CFZKYZHZLJWLSY-BQJIDLTASA-N 1 3 344.499 3.511 20 0 EHADHO OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000180140534 1031858833 /nfs/dbraw/zinc/85/88/33/1031858833.db2.gz URGCRQHYNBNVLN-LQCXBHPOSA-N 1 3 336.479 3.505 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470038 1033367824 /nfs/dbraw/zinc/36/78/24/1033367824.db2.gz JOIUNGUEXJWLGE-HOCLYGCPSA-N 1 3 326.431 3.677 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OC(F)F ZINC000685470038 1033367833 /nfs/dbraw/zinc/36/78/33/1033367833.db2.gz JOIUNGUEXJWLGE-HOCLYGCPSA-N 1 3 326.431 3.677 20 0 EHADHO C[C@H](c1cccc(O)c1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093315315 1033441795 /nfs/dbraw/zinc/44/17/95/1033441795.db2.gz UFQIAGSVEMRRFF-MRXNPFEDSA-N 1 3 328.456 3.526 20 0 EHADHO CN(CCn1ccc2cc(Cl)ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685584996 1033590402 /nfs/dbraw/zinc/59/04/02/1033590402.db2.gz JXDSEJSVXLPGCT-JWTNVVGKSA-N 1 3 331.891 3.852 20 0 EHADHO CN(CCn1ccc2cc(Cl)ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685584996 1033590412 /nfs/dbraw/zinc/59/04/12/1033590412.db2.gz JXDSEJSVXLPGCT-JWTNVVGKSA-N 1 3 331.891 3.852 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657919975 1033650768 /nfs/dbraw/zinc/65/07/68/1033650768.db2.gz SPMNKPPRSXGFOJ-KFWWJZLASA-N 1 3 341.446 3.559 20 0 EHADHO COc1ccsc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164899 1034028843 /nfs/dbraw/zinc/02/88/43/1034028843.db2.gz GMXPAKIVSYKYOJ-HNNXBMFYSA-N 1 3 345.512 3.715 20 0 EHADHO c1ccc(C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658168833 1034033805 /nfs/dbraw/zinc/03/38/05/1034033805.db2.gz ZMJLHBHMWCKAJT-HSZRJFAPSA-N 1 3 349.522 3.905 20 0 EHADHO CC(C)[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000658168560 1034034379 /nfs/dbraw/zinc/03/43/79/1034034379.db2.gz XOLTUJBNQUNYRC-OAQYLSRUSA-N 1 3 338.499 3.676 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450342692 1034148143 /nfs/dbraw/zinc/14/81/43/1034148143.db2.gz TXYFULZCTDHKQN-JZXOWHBKSA-N 1 3 344.490 3.633 20 0 EHADHO CCc1cnc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000372353686 1034384380 /nfs/dbraw/zinc/38/43/80/1034384380.db2.gz HGMITDADOLXYKP-AEFFLSMTSA-N 1 3 343.540 3.748 20 0 EHADHO COc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924537387 1034722174 /nfs/dbraw/zinc/72/21/74/1034722174.db2.gz ZJKFUWPLYGQSCO-OAHLLOKOSA-N 1 3 328.456 3.616 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000062253073 1034785157 /nfs/dbraw/zinc/78/51/57/1034785157.db2.gz IFUJQZKUWSXEAT-GJZGRUSLSA-N 1 3 344.421 3.684 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c(CN(C)C)c1 ZINC000431772682 1035463401 /nfs/dbraw/zinc/46/34/01/1035463401.db2.gz MEFYFVGXYUJUGW-FQEVSTJZSA-N 1 3 339.483 3.688 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Br ZINC000414171282 1035876462 /nfs/dbraw/zinc/87/64/62/1035876462.db2.gz DBXMHRUHRNVYLF-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171282 1035876484 /nfs/dbraw/zinc/87/64/84/1035876484.db2.gz DBXMHRUHRNVYLF-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000588770584 1036014908 /nfs/dbraw/zinc/01/49/08/1036014908.db2.gz QIHQSHGPVWKSNF-LJQANCHMSA-N 1 3 346.519 3.524 20 0 EHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000588770584 1036014926 /nfs/dbraw/zinc/01/49/26/1036014926.db2.gz QIHQSHGPVWKSNF-LJQANCHMSA-N 1 3 346.519 3.524 20 0 EHADHO CC1CC[NH+](CCCCNCc2ccc(Br)o2)CC1 ZINC000190773120 1036292715 /nfs/dbraw/zinc/29/27/15/1036292715.db2.gz KHSJTTRDFCKYKA-UHFFFAOYSA-N 1 3 329.282 3.644 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000191475981 1036388279 /nfs/dbraw/zinc/38/82/79/1036388279.db2.gz XXBYMGVHCBHNMC-JOCHJYFZSA-N 1 3 343.559 3.672 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000191475981 1036388291 /nfs/dbraw/zinc/38/82/91/1036388291.db2.gz XXBYMGVHCBHNMC-JOCHJYFZSA-N 1 3 343.559 3.672 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000191510479 1036396878 /nfs/dbraw/zinc/39/68/78/1036396878.db2.gz XIODJFKBCFAOSN-UHFFFAOYSA-N 1 3 347.547 3.830 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000191510479 1036396895 /nfs/dbraw/zinc/39/68/95/1036396895.db2.gz XIODJFKBCFAOSN-UHFFFAOYSA-N 1 3 347.547 3.830 20 0 EHADHO Cc1ccc2c(c1)[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000643469001 1037020601 /nfs/dbraw/zinc/02/06/01/1037020601.db2.gz YGLPXAIORISTMC-URVUXULASA-N 1 3 334.463 3.828 20 0 EHADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1(C)C ZINC000463024874 1037656423 /nfs/dbraw/zinc/65/64/23/1037656423.db2.gz QWPAXLHWJKNWNH-PWRODBHTSA-N 1 3 344.543 3.733 20 0 EHADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463074059 1037738348 /nfs/dbraw/zinc/73/83/48/1037738348.db2.gz OIOARVYCOIAIJT-AQCRLBJHSA-N 1 3 343.559 3.750 20 0 EHADHO COc1cccc([C@H](C)[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000173209673 1037976175 /nfs/dbraw/zinc/97/61/75/1037976175.db2.gz IDNWHPDGAZTZFW-KURKYZTESA-N 1 3 346.515 3.577 20 0 EHADHO c1ccc2oc([C@@H]3CCC[N@@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000124902695 1038251776 /nfs/dbraw/zinc/25/17/76/1038251776.db2.gz QPPOQFUDYVEUQX-QGZVFWFLSA-N 1 3 327.472 3.883 20 0 EHADHO c1ccc2oc([C@@H]3CCC[N@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000124902695 1038251791 /nfs/dbraw/zinc/25/17/91/1038251791.db2.gz QPPOQFUDYVEUQX-QGZVFWFLSA-N 1 3 327.472 3.883 20 0 EHADHO COc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc(OC)c1 ZINC000538751217 1038516326 /nfs/dbraw/zinc/51/63/26/1038516326.db2.gz VIVWUMVVEBXYRU-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1CN1CCCCC1 ZINC000182512110 1038608153 /nfs/dbraw/zinc/60/81/53/1038608153.db2.gz CBDJSSVCKFAAFZ-INIZCTEOSA-N 1 3 332.488 3.511 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477916244 1039031290 /nfs/dbraw/zinc/03/12/90/1039031290.db2.gz KDWWSLAOOUTJGD-MRXNPFEDSA-N 1 3 328.504 3.596 20 0 EHADHO COc1ccc([C@@H]2CCCN2Cc2ccnn2-c2ccncc2)cc1 ZINC000667462457 1040104174 /nfs/dbraw/zinc/10/41/74/1040104174.db2.gz JIPWDVLOCFPJIQ-FQEVSTJZSA-N 1 3 334.423 3.613 20 0 EHADHO COc1ccc([C@@H]2CCCN2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667462457 1040104181 /nfs/dbraw/zinc/10/41/81/1040104181.db2.gz JIPWDVLOCFPJIQ-FQEVSTJZSA-N 1 3 334.423 3.613 20 0 EHADHO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667462457 1040104186 /nfs/dbraw/zinc/10/41/86/1040104186.db2.gz JIPWDVLOCFPJIQ-FQEVSTJZSA-N 1 3 334.423 3.613 20 0 EHADHO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667462457 1040104193 /nfs/dbraw/zinc/10/41/93/1040104193.db2.gz JIPWDVLOCFPJIQ-FQEVSTJZSA-N 1 3 334.423 3.613 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000660275935 1040218287 /nfs/dbraw/zinc/21/82/87/1040218287.db2.gz IJTXGUVGZZWBTK-LJQANCHMSA-N 1 3 335.580 3.552 20 0 EHADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465773 1040264963 /nfs/dbraw/zinc/26/49/63/1040264963.db2.gz PUAGHQDSKBMMAO-HKUYNNGSSA-N 1 3 336.479 3.890 20 0 EHADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465773 1040264982 /nfs/dbraw/zinc/26/49/82/1040264982.db2.gz PUAGHQDSKBMMAO-HKUYNNGSSA-N 1 3 336.479 3.890 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512614583 1040277193 /nfs/dbraw/zinc/27/71/93/1040277193.db2.gz WMQSQOATJHCDHG-YESZJQIVSA-N 1 3 326.406 3.829 20 0 EHADHO FC(F)(F)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512614583 1040277209 /nfs/dbraw/zinc/27/72/09/1040277209.db2.gz WMQSQOATJHCDHG-YESZJQIVSA-N 1 3 326.406 3.829 20 0 EHADHO CC[C@H](CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000512663215 1040426840 /nfs/dbraw/zinc/42/68/40/1040426840.db2.gz IFDZNJSXQLJNLW-PCCBWWKXSA-N 1 3 343.559 3.671 20 0 EHADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000500078193 1040454979 /nfs/dbraw/zinc/45/49/79/1040454979.db2.gz XPGBQRMHLFNVED-QFIPXVFZSA-N 1 3 345.575 3.746 20 0 EHADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000500078193 1040454986 /nfs/dbraw/zinc/45/49/86/1040454986.db2.gz XPGBQRMHLFNVED-QFIPXVFZSA-N 1 3 345.575 3.746 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667843888 1040531658 /nfs/dbraw/zinc/53/16/58/1040531658.db2.gz RCRAEFDKPSGURB-QUCCMNQESA-N 1 3 348.918 3.709 20 0 EHADHO CC(C)OC(=O)C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000600165155 1040773696 /nfs/dbraw/zinc/77/36/96/1040773696.db2.gz FZUXHLZKSNKJDS-ROUUACIJSA-N 1 3 332.488 3.532 20 0 EHADHO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555615825 1040923781 /nfs/dbraw/zinc/92/37/81/1040923781.db2.gz CXDUPRSUWNKBBV-TZIWHRDSSA-N 1 3 344.543 3.939 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(Br)cc1 ZINC000020129078 1041165193 /nfs/dbraw/zinc/16/51/93/1041165193.db2.gz RIKPOEQRQLHSFM-INIZCTEOSA-N 1 3 325.294 3.976 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759861918 1041223022 /nfs/dbraw/zinc/22/30/22/1041223022.db2.gz IKTIYVJLXOYFRN-GOSISDBHSA-N 1 3 342.886 3.565 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759861918 1041223040 /nfs/dbraw/zinc/22/30/40/1041223040.db2.gz IKTIYVJLXOYFRN-GOSISDBHSA-N 1 3 342.886 3.565 20 0 EHADHO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000571292712 1041259344 /nfs/dbraw/zinc/25/93/44/1041259344.db2.gz QYNWENUSGLVBII-SBHAEUEKSA-N 1 3 331.548 3.750 20 0 EHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccc(N)c3)C2)s1 ZINC000660496699 1041576190 /nfs/dbraw/zinc/57/61/90/1041576190.db2.gz JPRQONRYEHBHBG-KRWDZBQOSA-N 1 3 329.513 3.593 20 0 EHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccc(N)c3)C2)s1 ZINC000660496699 1041576193 /nfs/dbraw/zinc/57/61/93/1041576193.db2.gz JPRQONRYEHBHBG-KRWDZBQOSA-N 1 3 329.513 3.593 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000164457070 1042253814 /nfs/dbraw/zinc/25/38/14/1042253814.db2.gz IBSPJMSWKPJIBT-QGZVFWFLSA-N 1 3 334.504 3.627 20 0 EHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000164489930 1042287916 /nfs/dbraw/zinc/28/79/16/1042287916.db2.gz UUOBVVJEAYFUMR-QGZVFWFLSA-N 1 3 343.515 3.729 20 0 EHADHO CC1(C)CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000652341387 1042397512 /nfs/dbraw/zinc/39/75/12/1042397512.db2.gz LRLOVJAXRXOVSF-MRXNPFEDSA-N 1 3 326.406 3.743 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000188380147 1042601953 /nfs/dbraw/zinc/60/19/53/1042601953.db2.gz DXENMBHLPGYNTD-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662291330 1042662109 /nfs/dbraw/zinc/66/21/09/1042662109.db2.gz DWZLGKRMNUQGJD-LJQANCHMSA-N 1 3 339.483 3.862 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161569438 1042672205 /nfs/dbraw/zinc/67/22/05/1042672205.db2.gz GMCVJDBBDJPKLK-RHSMWYFYSA-N 1 3 341.902 3.546 20 0 EHADHO COc1ccc([C@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)cc1F ZINC000662307279 1042675030 /nfs/dbraw/zinc/67/50/30/1042675030.db2.gz YQGRJCUOGZXHDD-HXUWFJFHSA-N 1 3 340.442 3.817 20 0 EHADHO Cc1ccc2ccccc2c1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321770 1042684794 /nfs/dbraw/zinc/68/47/94/1042684794.db2.gz PIQQTLAZHWWYOB-LJQANCHMSA-N 1 3 326.484 3.691 20 0 EHADHO c1ccc([C@H](C[C@H]2CCOC2)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469522 1042899637 /nfs/dbraw/zinc/89/96/37/1042899637.db2.gz QARBGGOVPNLVHC-SJBKTWHCSA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@H]2CCOC2)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469522 1042899643 /nfs/dbraw/zinc/89/96/43/1042899643.db2.gz QARBGGOVPNLVHC-SJBKTWHCSA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663469522 1042899647 /nfs/dbraw/zinc/89/96/47/1042899647.db2.gz QARBGGOVPNLVHC-SJBKTWHCSA-N 1 3 342.527 3.866 20 0 EHADHO COc1cc(CNCC[C@@H]([NH3+])C(C)C)c(-c2ccccc2)cc1OC ZINC000663499228 1042948330 /nfs/dbraw/zinc/94/83/30/1042948330.db2.gz HBRJIEDAINOLFT-LJQANCHMSA-N 1 3 342.483 3.834 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432418091 1043151488 /nfs/dbraw/zinc/15/14/88/1043151488.db2.gz PWTYTKXMPHOGMQ-JXFKEZNVSA-N 1 3 346.515 3.508 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418091 1043151494 /nfs/dbraw/zinc/15/14/94/1043151494.db2.gz PWTYTKXMPHOGMQ-JXFKEZNVSA-N 1 3 346.515 3.508 20 0 EHADHO CCC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC)cc1 ZINC000432421555 1043156990 /nfs/dbraw/zinc/15/69/90/1043156990.db2.gz PTALCWNTEXFCHP-FXAWDEMLSA-N 1 3 334.504 3.627 20 0 EHADHO CCC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)cc1 ZINC000432421555 1043156995 /nfs/dbraw/zinc/15/69/95/1043156995.db2.gz PTALCWNTEXFCHP-FXAWDEMLSA-N 1 3 334.504 3.627 20 0 EHADHO CN1CCC(O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000344120293 1043289287 /nfs/dbraw/zinc/28/92/87/1043289287.db2.gz ZIRKXTKNSKFDEC-QGZVFWFLSA-N 1 3 338.923 3.864 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198206 1044170705 /nfs/dbraw/zinc/17/07/05/1044170705.db2.gz HFTVCZDZOJGLMH-SUMWQHHRSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000122843382 1044523909 /nfs/dbraw/zinc/52/39/09/1044523909.db2.gz LOTRXLDMCPFXJQ-GFCCVEGCSA-N 1 3 328.378 3.863 20 0 EHADHO C[N@@H+]1CC[C@@H](NCCc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623444539 1126957380 /nfs/dbraw/zinc/95/73/80/1126957380.db2.gz JWLWLESASSOKSL-CYBMUJFWSA-N 1 3 337.920 3.955 20 0 EHADHO C[N@H+]1CC[C@@H](NCCc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623444539 1126957381 /nfs/dbraw/zinc/95/73/81/1126957381.db2.gz JWLWLESASSOKSL-CYBMUJFWSA-N 1 3 337.920 3.955 20 0 EHADHO COc1ccc(C)cc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178036712 1127005144 /nfs/dbraw/zinc/00/51/44/1127005144.db2.gz VCSRBIKXISBFOI-KURKYZTESA-N 1 3 334.504 3.544 20 0 EHADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120341 1127255715 /nfs/dbraw/zinc/25/57/15/1127255715.db2.gz WPJFGJUHRKWASH-RDJZCZTQSA-N 1 3 340.458 3.931 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000182756652 1127346387 /nfs/dbraw/zinc/34/63/87/1127346387.db2.gz JAYSJKUAGNFOEH-UHFFFAOYSA-N 1 3 328.504 3.668 20 0 EHADHO C[C@@H]([NH2+]CCCOCCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185737065 1127430968 /nfs/dbraw/zinc/43/09/68/1127430968.db2.gz HWGCIUSKWVFQGC-CTNGQTDRSA-N 1 3 344.543 3.878 20 0 EHADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381792233 1127492812 /nfs/dbraw/zinc/49/28/12/1127492812.db2.gz BBZGOIGWDRRGGK-WJFTUGDTSA-N 1 3 334.454 3.922 20 0 EHADHO CCCN1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288270 1127785236 /nfs/dbraw/zinc/78/52/36/1127785236.db2.gz FMEAXQCAIGHFKP-QGZVFWFLSA-N 1 3 345.314 3.881 20 0 EHADHO CC[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000155278670 1127963682 /nfs/dbraw/zinc/96/36/82/1127963682.db2.gz DJFCMKMBLHCVGV-CMPLNLGQSA-N 1 3 335.439 3.933 20 0 EHADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CCCN3CCC(C)CC3)CCO2)cc1 ZINC001168584857 1128104375 /nfs/dbraw/zinc/10/43/75/1128104375.db2.gz OCTUDOKVDOSIHL-FPOVZHCZSA-N 1 3 346.515 3.627 20 0 EHADHO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000671752633 1128210420 /nfs/dbraw/zinc/21/04/20/1128210420.db2.gz WLVRYTJYFSJSKA-CIAFKFPVSA-N 1 3 344.543 3.818 20 0 EHADHO COc1ccc([C@H]2C[C@@H](N3CCC([NH3+])(CC4CC4)CC3)CCO2)cc1 ZINC001168616472 1128438060 /nfs/dbraw/zinc/43/80/60/1128438060.db2.gz NIJBGENIQVNYBQ-AZUAARDMSA-N 1 3 344.499 3.509 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)s1 ZINC000623656880 1128452146 /nfs/dbraw/zinc/45/21/46/1128452146.db2.gz DOEXVYZRMLGNRT-VXGBXAGGSA-N 1 3 331.323 3.893 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H](NC[C@H](CC)[NH+]2CCCC2)c2ccccc21 ZINC000338692886 1128611062 /nfs/dbraw/zinc/61/10/62/1128611062.db2.gz KFLGOCZJBQGZOP-DBVUQKKJSA-N 1 3 344.499 3.632 20 0 EHADHO COCC[N@H+](C)CCCNCc1ccc(-c2ccc(C)cc2)s1 ZINC000063520412 1128882613 /nfs/dbraw/zinc/88/26/13/1128882613.db2.gz DSIRDZHEDDQYAP-UHFFFAOYSA-N 1 3 332.513 3.781 20 0 EHADHO COCC[N@@H+](C)CCCNCc1ccc(-c2ccc(C)cc2)s1 ZINC000063520412 1128882619 /nfs/dbraw/zinc/88/26/19/1128882619.db2.gz DSIRDZHEDDQYAP-UHFFFAOYSA-N 1 3 332.513 3.781 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+]CC3CCC(C)(C)CC3)cc2)CC1 ZINC001648799815 1120040281 /nfs/dbraw/zinc/04/02/81/1120040281.db2.gz RYVAYQMEEQUOEA-UHFFFAOYSA-N 1 3 343.559 3.740 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2cc(Br)c(C)s2)C1 ZINC001648960678 1120281319 /nfs/dbraw/zinc/28/13/19/1120281319.db2.gz SRWUPGXUBLKNCK-GFCCVEGCSA-N 1 3 331.323 3.641 20 0 EHADHO C[C@H](CN1CCCCCC1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000186740890 1120472775 /nfs/dbraw/zinc/47/27/75/1120472775.db2.gz XIBMJOPCDFSLOJ-LJQANCHMSA-N 1 3 329.532 3.505 20 0 EHADHO c1ccc(CN2CC[C@@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000192926421 1120753956 /nfs/dbraw/zinc/75/39/56/1120753956.db2.gz UJOXNQJFBHZXLR-IBGZPJMESA-N 1 3 334.463 3.574 20 0 EHADHO CC(C)N(Cc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226435824 1120807981 /nfs/dbraw/zinc/80/79/81/1120807981.db2.gz XXWMAEWFUSHXGD-HNNXBMFYSA-N 1 3 325.294 3.659 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886094 1120894986 /nfs/dbraw/zinc/89/49/86/1120894986.db2.gz MCMZAUHZAZITJC-AEFFLSMTSA-N 1 3 333.524 3.670 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886094 1120894988 /nfs/dbraw/zinc/89/49/88/1120894988.db2.gz MCMZAUHZAZITJC-AEFFLSMTSA-N 1 3 333.524 3.670 20 0 EHADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000128768017 1122664822 /nfs/dbraw/zinc/66/48/22/1122664822.db2.gz RVZQZBMAXHKLKO-GOSISDBHSA-N 1 3 343.515 3.794 20 0 EHADHO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556870130 1123160548 /nfs/dbraw/zinc/16/05/48/1123160548.db2.gz DAPNDGQFYSILFQ-ZHHKINOHSA-N 1 3 344.543 3.675 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000237503729 1123522117 /nfs/dbraw/zinc/52/21/17/1123522117.db2.gz MOOMJDGCBIYDHZ-ZIAGYGMSSA-N 1 3 345.314 3.972 20 0 EHADHO COc1cccc([C@@H](C)[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000245408621 1123816116 /nfs/dbraw/zinc/81/61/16/1123816116.db2.gz IDNWHPDGAZTZFW-FGTMMUONSA-N 1 3 346.515 3.577 20 0 EHADHO Fc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246952419 1124571430 /nfs/dbraw/zinc/57/14/30/1124571430.db2.gz UQFZPNGRPPNFKR-JXFKEZNVSA-N 1 3 332.463 3.543 20 0 EHADHO Fc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246952419 1124571442 /nfs/dbraw/zinc/57/14/42/1124571442.db2.gz UQFZPNGRPPNFKR-JXFKEZNVSA-N 1 3 332.463 3.543 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)N1CCC(C)CC1 ZINC000520552086 1124653670 /nfs/dbraw/zinc/65/36/70/1124653670.db2.gz SHMLQMZNHKQJNI-GIVPXCGWSA-N 1 3 329.532 3.532 20 0 EHADHO C(N1CCC[C@H]2CCC[C@H]21)C1(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663503 /nfs/dbraw/zinc/66/35/03/1124663503.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663506 /nfs/dbraw/zinc/66/35/06/1124663506.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663508 /nfs/dbraw/zinc/66/35/08/1124663508.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436986 1124663510 /nfs/dbraw/zinc/66/35/10/1124663510.db2.gz SKKXQJYPEVADEB-IYWMVGAKSA-N 1 3 332.532 3.532 20 0 EHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285531 1124973735 /nfs/dbraw/zinc/97/37/35/1124973735.db2.gz FAQZQKZJWONWNG-LAUBAEHRSA-N 1 3 347.522 3.673 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CCOCC2)ccc1OC ZINC000182704500 1125356562 /nfs/dbraw/zinc/35/65/62/1125356562.db2.gz SMYIWBXSOYTTAH-MRXNPFEDSA-N 1 3 334.504 3.614 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1CN1CCCCC1 ZINC000182958724 1125407601 /nfs/dbraw/zinc/40/76/01/1125407601.db2.gz DIXIQQCLJUSLDR-UTKZUKDTSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1CN1CCCCC1 ZINC000183007435 1125418346 /nfs/dbraw/zinc/41/83/46/1125418346.db2.gz HELLTMKRACLQFS-KSZLIROESA-N 1 3 348.531 3.739 20 0 EHADHO Cc1c(Br)cccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922684379 1129625344 /nfs/dbraw/zinc/62/53/44/1129625344.db2.gz IODQSNWWLHTNEJ-JKSUJKDBSA-N 1 3 337.305 3.516 20 0 EHADHO Cc1c(Br)cccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922684379 1129625346 /nfs/dbraw/zinc/62/53/46/1129625346.db2.gz IODQSNWWLHTNEJ-JKSUJKDBSA-N 1 3 337.305 3.516 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc2ccccc21 ZINC000282387073 1129679827 /nfs/dbraw/zinc/67/98/27/1129679827.db2.gz QXWIJXSRBQEOIY-KRWDZBQOSA-N 1 3 325.500 3.516 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1CN1CCCCC1 ZINC000186785913 1129826104 /nfs/dbraw/zinc/82/61/04/1129826104.db2.gz HONWOUJPMQTDTH-NSISKUIASA-N 1 3 346.515 3.635 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067341 1129996717 /nfs/dbraw/zinc/99/67/17/1129996717.db2.gz IJAUTCMTIPLAFV-APWZRJJASA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1[nH]nc2ccccc21 ZINC000674067341 1129996720 /nfs/dbraw/zinc/99/67/20/1129996720.db2.gz IJAUTCMTIPLAFV-APWZRJJASA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1[nH]nc2ccccc21 ZINC000674067341 1129996722 /nfs/dbraw/zinc/99/67/22/1129996722.db2.gz IJAUTCMTIPLAFV-APWZRJJASA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000658236821 1130296693 /nfs/dbraw/zinc/29/66/93/1130296693.db2.gz BTPSTRDOMXBIFH-BTYIYWSLSA-N 1 3 340.467 3.671 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752538 1130465499 /nfs/dbraw/zinc/46/54/99/1130465499.db2.gz YIXNONCEBWVYTI-COXVUDFISA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752538 1130465505 /nfs/dbraw/zinc/46/55/05/1130465505.db2.gz YIXNONCEBWVYTI-COXVUDFISA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745802 1130468555 /nfs/dbraw/zinc/46/85/55/1130468555.db2.gz GOVIUBNWKNFBQY-UWVAXJGDSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745802 1130468560 /nfs/dbraw/zinc/46/85/60/1130468560.db2.gz GOVIUBNWKNFBQY-UWVAXJGDSA-N 1 3 339.483 3.794 20 0 EHADHO CCC[NH+]1CCC(N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000675807709 1130482607 /nfs/dbraw/zinc/48/26/07/1130482607.db2.gz BURYCPVOSJBJQQ-OAQYLSRUSA-N 1 3 329.532 3.678 20 0 EHADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001172786326 1131846214 /nfs/dbraw/zinc/84/62/14/1131846214.db2.gz QTNVLNSUBFLWBI-OTWHNJEPSA-N 1 3 348.531 3.519 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2nc(Br)cs2)CC1 ZINC001173106797 1131968280 /nfs/dbraw/zinc/96/82/80/1131968280.db2.gz SIWHESBOSRIRAN-UHFFFAOYSA-N 1 3 346.338 3.648 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2ccn(Cc3ccccc3)n2)CC1 ZINC001173107662 1131969032 /nfs/dbraw/zinc/96/90/32/1131969032.db2.gz IGWMRXFYMJWPSW-UHFFFAOYSA-N 1 3 340.515 3.674 20 0 EHADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)c(Br)c1 ZINC001169116935 1132661667 /nfs/dbraw/zinc/66/16/67/1132661667.db2.gz UGFXAUKYEVMQKI-DEQVHRJGSA-N 1 3 341.268 3.864 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117317 1132662373 /nfs/dbraw/zinc/66/23/73/1132662373.db2.gz YGVLYXCSRPJGMP-IVSAIRAKSA-N 1 3 339.405 3.766 20 0 EHADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C(F)(F)F ZINC001169120192 1132664342 /nfs/dbraw/zinc/66/43/42/1132664342.db2.gz ZGWBUAFIBXBXLS-QKDCVEJESA-N 1 3 342.405 3.819 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)OC(C)(C)c1ccccc13)C2 ZINC001169146627 1132676520 /nfs/dbraw/zinc/67/65/20/1132676520.db2.gz QPGJYPHZWRLPGY-BCDXTJNWSA-N 1 3 340.511 3.868 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)OC(C)(C)c1ccccc13)C2 ZINC001169146627 1132676527 /nfs/dbraw/zinc/67/65/27/1132676527.db2.gz QPGJYPHZWRLPGY-BCDXTJNWSA-N 1 3 340.511 3.868 20 0 EHADHO CN1CCC=C(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)C1 ZINC001175582051 1132715323 /nfs/dbraw/zinc/71/53/23/1132715323.db2.gz CRAMOIFKHJHHDO-NRFANRHFSA-N 1 3 325.500 3.661 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(N)c(C(F)(F)F)cn1 ZINC001169686565 1132820837 /nfs/dbraw/zinc/82/08/37/1132820837.db2.gz XTRFGIJKMOAQOK-CYBMUJFWSA-N 1 3 336.361 3.923 20 0 EHADHO CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001181222075 1133471540 /nfs/dbraw/zinc/47/15/40/1133471540.db2.gz DNNHTBSDQOHMNU-TUFLPTIASA-N 1 3 344.543 3.816 20 0 EHADHO CC[C@H]([NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)[C@H](C)O ZINC001181754336 1133521527 /nfs/dbraw/zinc/52/15/27/1133521527.db2.gz ZPXPRKYCSOIYRE-CUWPLCDZSA-N 1 3 332.532 3.674 20 0 EHADHO CC(C)(C)[C@]1(C[NH2+]C[C@@H]2CCCO2)CCN(Cc2ccccc2)C1 ZINC001182864855 1133740921 /nfs/dbraw/zinc/74/09/21/1133740921.db2.gz NNXWXEVALWFLCT-FPOVZHCZSA-N 1 3 330.516 3.693 20 0 EHADHO CN(C)Cc1cc(CN[C@@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788607692 1134151008 /nfs/dbraw/zinc/15/10/08/1134151008.db2.gz MECCIQXCGOASHW-MRXNPFEDSA-N 1 3 333.838 3.713 20 0 EHADHO C[NH+](C)Cc1cc(CN[C@@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788607692 1134151009 /nfs/dbraw/zinc/15/10/09/1134151009.db2.gz MECCIQXCGOASHW-MRXNPFEDSA-N 1 3 333.838 3.713 20 0 EHADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)ccc1F ZINC000788607692 1134151010 /nfs/dbraw/zinc/15/10/10/1134151010.db2.gz MECCIQXCGOASHW-MRXNPFEDSA-N 1 3 333.838 3.713 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCO2)ccc1OC ZINC000775365689 1134670439 /nfs/dbraw/zinc/67/04/39/1134670439.db2.gz YITADTYDOXTMCZ-VQIMIIECSA-N 1 3 334.504 3.757 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCOCC2CC2)cc1CN1CCCCC1 ZINC000775387857 1134701034 /nfs/dbraw/zinc/70/10/34/1134701034.db2.gz ODQVCTYEBVSMIV-KRWDZBQOSA-N 1 3 346.515 3.758 20 0 EHADHO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775412674 1134751666 /nfs/dbraw/zinc/75/16/66/1134751666.db2.gz WDGMSUMEAQQTFE-PXNSSMCTSA-N 1 3 348.531 3.883 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCCN1CCCC[C@H]1C ZINC001170407965 1134771077 /nfs/dbraw/zinc/77/10/77/1134771077.db2.gz PVXAVPNLIIIRKU-SJLPKXTDSA-N 1 3 332.488 3.591 20 0 EHADHO CCOC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716692374 1134990071 /nfs/dbraw/zinc/99/00/71/1134990071.db2.gz LKCBSFFIUUGHLG-XSDIEEQYSA-N 1 3 330.516 3.690 20 0 EHADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027667 1135767895 /nfs/dbraw/zinc/76/78/95/1135767895.db2.gz RWMHHUFSWQSFEQ-ROUUACIJSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C ZINC001198027667 1135767897 /nfs/dbraw/zinc/76/78/97/1135767897.db2.gz RWMHHUFSWQSFEQ-ROUUACIJSA-N 1 3 338.923 3.609 20 0 EHADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126854 1135924113 /nfs/dbraw/zinc/92/41/13/1135924113.db2.gz NROQFJSMFMLMST-MJGOQNOKSA-N 1 3 343.515 3.729 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126852 1135924221 /nfs/dbraw/zinc/92/42/21/1135924221.db2.gz NROQFJSMFMLMST-HKUYNNGSSA-N 1 3 343.515 3.729 20 0 EHADHO CC[C@H](C)C[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201504008 1136029387 /nfs/dbraw/zinc/02/93/87/1136029387.db2.gz TZXSXRLYELVIJK-IRXDYDNUSA-N 1 3 336.545 3.850 20 0 EHADHO CC(C)CC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201617836 1136047623 /nfs/dbraw/zinc/04/76/23/1136047623.db2.gz PHZLGMVZCITTOZ-QGZVFWFLSA-N 1 3 336.545 3.850 20 0 EHADHO C[C@H](CC(=O)Nc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001201857272 1136066487 /nfs/dbraw/zinc/06/64/87/1136066487.db2.gz IXRREPHEPLBDTR-QGZVFWFLSA-N 1 3 343.515 3.648 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnc(Cl)c1 ZINC000850516344 1136275900 /nfs/dbraw/zinc/27/59/00/1136275900.db2.gz BOCJWIIKFSDQIN-HNNXBMFYSA-N 1 3 344.890 3.693 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC3SCCS3)CC2)C1 ZINC000850571608 1136288866 /nfs/dbraw/zinc/28/88/66/1136288866.db2.gz YXQGIVHHRHOXRU-GDBMZVCRSA-N 1 3 328.591 3.815 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2SCCS2)CC1 ZINC000850571187 1136288919 /nfs/dbraw/zinc/28/89/19/1136288919.db2.gz RXDWOCSQGZGBJH-ZBFHGGJFSA-N 1 3 328.591 3.815 20 0 EHADHO Cc1cc(C[NH2+]C[C@H](C)CN(C)C)cc(C)c1OCc1ccccn1 ZINC000813785548 1136362273 /nfs/dbraw/zinc/36/22/73/1136362273.db2.gz DHOOSNHCIOCDNV-INIZCTEOSA-N 1 3 341.499 3.565 20 0 EHADHO Cc1cc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000338939539 1136391199 /nfs/dbraw/zinc/39/11/99/1136391199.db2.gz GDVBRSURRCVCSW-HUUCEWRRSA-N 1 3 336.545 3.686 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657218 1136485912 /nfs/dbraw/zinc/48/59/12/1136485912.db2.gz NMRIPPFTTOGTBG-WMZOPIPTSA-N 1 3 345.487 3.558 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000815071815 1136546590 /nfs/dbraw/zinc/54/65/90/1136546590.db2.gz WIVKBQZHPZEQIX-HBGVWJBISA-N 1 3 326.484 3.535 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)c2cccc3ccccc32)[C@H](C)C1 ZINC000815071815 1136546592 /nfs/dbraw/zinc/54/65/92/1136546592.db2.gz WIVKBQZHPZEQIX-HBGVWJBISA-N 1 3 326.484 3.535 20 0 EHADHO CC(C)c1nn(C)c(Cl)c1CNCCCCC[NH+]1CCCC1 ZINC000815151776 1136557201 /nfs/dbraw/zinc/55/72/01/1136557201.db2.gz SXMUJTVATQFQSU-UHFFFAOYSA-N 1 3 326.916 3.553 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC001170797444 1136628642 /nfs/dbraw/zinc/62/86/42/1136628642.db2.gz VCMHHQCJSDTUNB-GOSISDBHSA-N 1 3 336.907 3.711 20 0 EHADHO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604536 1136798065 /nfs/dbraw/zinc/79/80/65/1136798065.db2.gz OWNCTVCXUYEDCL-FXAWDEMLSA-N 1 3 333.520 3.810 20 0 EHADHO CC(C)C[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604536 1136798068 /nfs/dbraw/zinc/79/80/68/1136798068.db2.gz OWNCTVCXUYEDCL-FXAWDEMLSA-N 1 3 333.520 3.810 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000817894697 1136844186 /nfs/dbraw/zinc/84/41/86/1136844186.db2.gz PZAFFOGGAVYDQV-KKSFZXQISA-N 1 3 339.483 3.667 20 0 EHADHO [NH3+][C@H]1C[C@@H](NCCCCC(=O)OCc2ccccc2)c2ccccc21 ZINC000817922340 1136846179 /nfs/dbraw/zinc/84/61/79/1136846179.db2.gz UUBZVYJRWDJXIV-VQTJNVASSA-N 1 3 338.451 3.635 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(Br)nc2)cc1 ZINC000817962369 1136852315 /nfs/dbraw/zinc/85/23/15/1136852315.db2.gz IJWPXJKBTZNOAB-VXGBXAGGSA-N 1 3 334.261 3.715 20 0 EHADHO CC[C@H](C)c1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000818339904 1136871922 /nfs/dbraw/zinc/87/19/22/1136871922.db2.gz FXCABCIWUWMLPF-IRXDYDNUSA-N 1 3 343.515 3.603 20 0 EHADHO Cc1ccccc1[C@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000818982891 1136896521 /nfs/dbraw/zinc/89/65/21/1136896521.db2.gz VBSORODYPHUOEE-IFMALSPDSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccccc1[C@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982891 1136896525 /nfs/dbraw/zinc/89/65/25/1136896525.db2.gz VBSORODYPHUOEE-IFMALSPDSA-N 1 3 338.495 3.530 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ccnc(CO)c2)C1 ZINC000858351527 1136960650 /nfs/dbraw/zinc/96/06/50/1136960650.db2.gz QPSJSCUHSJQBFF-IAGOWNOFSA-N 1 3 339.483 3.664 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cc(F)ncc2F)C[N@@H+]1Cc1ccccc1 ZINC000824037376 1137122549 /nfs/dbraw/zinc/12/25/49/1137122549.db2.gz LNQOOPBEALPNKM-RDJZCZTQSA-N 1 3 345.437 3.750 20 0 EHADHO C[C@H]1C[C@H](CCNCc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037376 1137122551 /nfs/dbraw/zinc/12/25/51/1137122551.db2.gz LNQOOPBEALPNKM-RDJZCZTQSA-N 1 3 345.437 3.750 20 0 EHADHO Cc1c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccnc1F ZINC000862299612 1137137803 /nfs/dbraw/zinc/13/78/03/1137137803.db2.gz DRQAKKGBXPKPGQ-APWZRJJASA-N 1 3 327.447 3.529 20 0 EHADHO C[N@@H+]1CC[C@H](NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367766 1137140627 /nfs/dbraw/zinc/14/06/27/1137140627.db2.gz UXAGAZNDUUNOOG-BBRMVZONSA-N 1 3 345.314 3.879 20 0 EHADHO C[N@H+]1CC[C@H](NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000862367766 1137140628 /nfs/dbraw/zinc/14/06/28/1137140628.db2.gz UXAGAZNDUUNOOG-BBRMVZONSA-N 1 3 345.314 3.879 20 0 EHADHO Fc1cccc2[nH]cc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984437 1137164354 /nfs/dbraw/zinc/16/43/54/1137164354.db2.gz LEQFGUQRKGRFJW-KDURUIRLSA-N 1 3 349.453 3.871 20 0 EHADHO Fc1cccc2[nH]cc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984437 1137164355 /nfs/dbraw/zinc/16/43/55/1137164355.db2.gz LEQFGUQRKGRFJW-KDURUIRLSA-N 1 3 349.453 3.871 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)CCC2 ZINC000339069654 1137233920 /nfs/dbraw/zinc/23/39/20/1137233920.db2.gz KKRIEPRIQCCWLW-BBTUJRGHSA-N 1 3 330.516 3.851 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866240410 1137338240 /nfs/dbraw/zinc/33/82/40/1137338240.db2.gz DZQDQVLILRUUTE-ZWKOTPCHSA-N 1 3 325.500 3.877 20 0 EHADHO Cc1nccnc1[C@@H](C)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866468447 1137357322 /nfs/dbraw/zinc/35/73/22/1137357322.db2.gz AJILACIOKDPWJH-QGZVFWFLSA-N 1 3 338.499 3.738 20 0 EHADHO C[C@H]([NH3+])[C@@H](NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000925494412 1137448760 /nfs/dbraw/zinc/44/87/60/1137448760.db2.gz POHSYBNEMSYLQF-VDZJLULYSA-N 1 3 329.513 3.563 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@H](C)C1 ZINC000339095012 1137467488 /nfs/dbraw/zinc/46/74/88/1137467488.db2.gz CTGSYGXWTZCWJT-UTKZUKDTSA-N 1 3 347.547 3.740 20 0 EHADHO CCN(CC)Cc1cccc(N2c3ccccc3OC[C@@H]2C[NH3+])c1F ZINC001171397778 1137470970 /nfs/dbraw/zinc/47/09/70/1137470970.db2.gz QHWDQSJDHPWRNL-INIZCTEOSA-N 1 3 343.446 3.525 20 0 EHADHO CS[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716635324 1137487861 /nfs/dbraw/zinc/48/78/61/1137487861.db2.gz FHQMEITZNRZDQH-LJDSDSDDSA-N 1 3 330.541 3.913 20 0 EHADHO CN1C(C)(C)CC([NH2+]CCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC001171613818 1137500677 /nfs/dbraw/zinc/50/06/77/1137500677.db2.gz QODXTBWZTKAZQD-UHFFFAOYSA-N 1 3 341.540 3.532 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ccc(F)cn3)CC2)CC1(C)C ZINC001171641359 1137504750 /nfs/dbraw/zinc/50/47/50/1137504750.db2.gz QEUAGQYVYYVTCN-UHFFFAOYSA-N 1 3 349.494 3.715 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ccc(F)cn3)CC2)CC1(C)C ZINC001171641359 1137504752 /nfs/dbraw/zinc/50/47/52/1137504752.db2.gz QEUAGQYVYYVTCN-UHFFFAOYSA-N 1 3 349.494 3.715 20 0 EHADHO CC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171965758 1137520529 /nfs/dbraw/zinc/52/05/29/1137520529.db2.gz RHQXKLNIXBCVGW-NUEKZKHPSA-N 1 3 326.406 3.520 20 0 EHADHO C[C@@H](CN1CCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062706 1137533126 /nfs/dbraw/zinc/53/31/26/1137533126.db2.gz QUULFEXRMZYQMW-UVUJQTEASA-N 1 3 341.543 3.646 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001172111480 1137537836 /nfs/dbraw/zinc/53/78/36/1137537836.db2.gz RPSXDRTVMCGVFZ-YYIAUSFCSA-N 1 3 343.298 3.632 20 0 EHADHO c1c(CN(Cc2ccccc2)C[C@H]2CCCO2)sc2c1C[NH2+]CC2 ZINC000873203963 1137593900 /nfs/dbraw/zinc/59/39/00/1137593900.db2.gz VAJOZXAOJGUTMH-GOSISDBHSA-N 1 3 342.508 3.575 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252554 1137595402 /nfs/dbraw/zinc/59/54/02/1137595402.db2.gz PIEWIWSIVZXVPP-PVXIVEMSSA-N 1 3 327.394 3.644 20 0 EHADHO CC[NH+]1CCC(CC2CCN(Cc3cnn(C(C)C)c3)CC2)CC1 ZINC001137081473 1137618788 /nfs/dbraw/zinc/61/87/88/1137618788.db2.gz JPKXQRFSOFOFKI-UHFFFAOYSA-N 1 3 332.536 3.798 20 0 EHADHO Cc1nc(CN(CC(C)C)CC2CC[NH+](C)CC2)nc2ccccc12 ZINC000879704050 1137755825 /nfs/dbraw/zinc/75/58/25/1137755825.db2.gz JPMJDTNUEPZNJK-UHFFFAOYSA-N 1 3 340.515 3.738 20 0 EHADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000880476087 1137779864 /nfs/dbraw/zinc/77/98/64/1137779864.db2.gz NGTASQRYUVWAPL-VQTJNVASSA-N 1 3 328.500 3.857 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)c(F)c1 ZINC000120838386 1137952798 /nfs/dbraw/zinc/95/27/98/1137952798.db2.gz XMDSOUQKPQGUDM-ZDUSSCGKSA-N 1 3 334.410 3.886 20 0 EHADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c(F)c1 ZINC000120838386 1137952799 /nfs/dbraw/zinc/95/27/99/1137952799.db2.gz XMDSOUQKPQGUDM-ZDUSSCGKSA-N 1 3 334.410 3.886 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886628128 1138103620 /nfs/dbraw/zinc/10/36/20/1138103620.db2.gz GUCHTMVWNXAGNN-HGJUEJDCSA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1(F)F ZINC000886638476 1138104343 /nfs/dbraw/zinc/10/43/43/1138104343.db2.gz VOFXXYQROOQLCW-MHORFTMASA-N 1 3 334.454 3.920 20 0 EHADHO O[C@@H](CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000886650078 1138106862 /nfs/dbraw/zinc/10/68/62/1138106862.db2.gz PEDKATICLPFQSQ-FKVLARQCSA-N 1 3 342.527 3.570 20 0 EHADHO C[C@H](NCCC1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333194 1138218531 /nfs/dbraw/zinc/21/85/31/1138218531.db2.gz VOLXSNMOGCVJGT-ZDUSSCGKSA-N 1 3 334.895 3.609 20 0 EHADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000123629221 1138272725 /nfs/dbraw/zinc/27/27/25/1138272725.db2.gz LVJDFIPHMKJANI-IBGZPJMESA-N 1 3 340.467 3.760 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133050060 1138617580 /nfs/dbraw/zinc/61/75/80/1138617580.db2.gz RKCIKFWRHCWXIA-MSOLQXFVSA-N 1 3 346.515 3.625 20 0 EHADHO CC(C)Sc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151371283 1139027579 /nfs/dbraw/zinc/02/75/79/1139027579.db2.gz MNOWWCZICRCXPG-MRXNPFEDSA-N 1 3 336.545 3.685 20 0 EHADHO CC(C)Oc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173956232 1139389552 /nfs/dbraw/zinc/38/95/52/1139389552.db2.gz PKOPZXUALYFJMD-UHFFFAOYSA-N 1 3 346.515 3.551 20 0 EHADHO CCOc1cc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)ccc1OC(F)F ZINC000174628353 1139431924 /nfs/dbraw/zinc/43/19/24/1139431924.db2.gz PCZRXNUUQCXVQT-UKRRQHHQSA-N 1 3 342.430 3.507 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771966 1140988275 /nfs/dbraw/zinc/98/82/75/1140988275.db2.gz FIHLTWSQMQWHSJ-BVYCBKJFSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268771966 1140988280 /nfs/dbraw/zinc/98/82/80/1140988280.db2.gz FIHLTWSQMQWHSJ-BVYCBKJFSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771973 1140988342 /nfs/dbraw/zinc/98/83/42/1140988342.db2.gz FIHLTWSQMQWHSJ-YUXAGFNASA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268771973 1140988346 /nfs/dbraw/zinc/98/83/46/1140988346.db2.gz FIHLTWSQMQWHSJ-YUXAGFNASA-N 1 3 338.495 3.671 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(CO)c1 ZINC000270414786 1141219903 /nfs/dbraw/zinc/21/99/03/1141219903.db2.gz CXAYYJZFLFENRZ-KRWDZBQOSA-N 1 3 326.484 3.870 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(CO)c1 ZINC000270414786 1141219910 /nfs/dbraw/zinc/21/99/10/1141219910.db2.gz CXAYYJZFLFENRZ-KRWDZBQOSA-N 1 3 326.484 3.870 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000283267858 1141581231 /nfs/dbraw/zinc/58/12/31/1141581231.db2.gz LALKYIRRGHCRRU-RXVVDRJESA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000283267858 1141581235 /nfs/dbraw/zinc/58/12/35/1141581235.db2.gz LALKYIRRGHCRRU-RXVVDRJESA-N 1 3 347.522 3.625 20 0 EHADHO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298481027 523853927 /nfs/dbraw/zinc/85/39/27/523853927.db2.gz PKNHPDSBZWHMDO-MRXNPFEDSA-N 1 3 325.456 3.718 20 0 EHADHO CN(Cc1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1)C1CC1 ZINC001165050468 721976695 /nfs/dbraw/zinc/97/66/95/721976695.db2.gz YJYPFGQLEHKKLQ-HXUWFJFHSA-N 1 3 342.531 3.521 20 0 EHADHO c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(CN2CCCC2)c1 ZINC001165048754 721978606 /nfs/dbraw/zinc/97/86/06/721978606.db2.gz GNJVOASYOFXVQR-FQEVSTJZSA-N 1 3 342.531 3.522 20 0 EHADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027826 1032065097 /nfs/dbraw/zinc/06/50/97/1032065097.db2.gz JMEFKSPBWGNXBJ-KGLIPLIRSA-N 1 3 333.476 3.864 20 0 EHADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3F)s2)CCN1C ZINC000449027826 1032065113 /nfs/dbraw/zinc/06/51/13/1032065113.db2.gz JMEFKSPBWGNXBJ-KGLIPLIRSA-N 1 3 333.476 3.864 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430146837 1014400570 /nfs/dbraw/zinc/40/05/70/1014400570.db2.gz MQRQQQFBIGJEHS-ILCZHQDMSA-N 1 3 336.426 3.719 20 0 EHADHO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430146837 1014400576 /nfs/dbraw/zinc/40/05/76/1014400576.db2.gz MQRQQQFBIGJEHS-ILCZHQDMSA-N 1 3 336.426 3.719 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(-n2cccn2)c(F)c1 ZINC000339428304 1014408056 /nfs/dbraw/zinc/40/80/56/1014408056.db2.gz GBIKGZQCIRQOLG-INIZCTEOSA-N 1 3 330.451 3.538 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000246851988 1014433845 /nfs/dbraw/zinc/43/38/45/1014433845.db2.gz CPBYKLYKOLZNDO-NVXWUHKLSA-N 1 3 327.497 3.744 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](Cn3ccc(=S)c4ccccc43)CC[C@H]21 ZINC000246851988 1014433852 /nfs/dbraw/zinc/43/38/52/1014433852.db2.gz CPBYKLYKOLZNDO-NVXWUHKLSA-N 1 3 327.497 3.744 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)CCN1C ZINC000154680339 1015757996 /nfs/dbraw/zinc/75/79/96/1015757996.db2.gz FZHJBGKRLDNZOP-PBHICJAKSA-N 1 3 329.419 3.585 20 0 EHADHO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000588204817 1016458119 /nfs/dbraw/zinc/45/81/19/1016458119.db2.gz ZGQDUYWPIIKTFW-IRXDYDNUSA-N 1 3 338.536 3.599 20 0 EHADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001125337553 1016660427 /nfs/dbraw/zinc/66/04/27/1016660427.db2.gz ACYLBRALIRBZII-FQEVSTJZSA-N 1 3 343.515 3.526 20 0 EHADHO Cc1nc2ccccn2c1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311514600 1016800715 /nfs/dbraw/zinc/80/07/15/1016800715.db2.gz HZOSZNQNFNRNQX-PXNSSMCTSA-N 1 3 348.494 3.643 20 0 EHADHO C[N@H+](Cc1ccccc1CNC[C@@](C)(O)C(F)F)C1CCCCC1 ZINC000905063083 1032337708 /nfs/dbraw/zinc/33/77/08/1032337708.db2.gz RYBGJWGJRBWZOM-LJQANCHMSA-N 1 3 340.458 3.557 20 0 EHADHO C[N@@H+](Cc1ccccc1CNC[C@@](C)(O)C(F)F)C1CCCCC1 ZINC000905063083 1032337712 /nfs/dbraw/zinc/33/77/12/1032337712.db2.gz RYBGJWGJRBWZOM-LJQANCHMSA-N 1 3 340.458 3.557 20 0 EHADHO COc1cc(C)ccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536865206 1032364959 /nfs/dbraw/zinc/36/49/59/1032364959.db2.gz WITCKSCCEVHTJH-KSZLIROESA-N 1 3 334.504 3.544 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000536883415 1032388792 /nfs/dbraw/zinc/38/87/92/1032388792.db2.gz WKKBJWTXIOUFQR-FRQCXROJSA-N 1 3 346.515 3.835 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)c3ccccn3)CC2)C1 ZINC000449394570 1032501334 /nfs/dbraw/zinc/50/13/34/1032501334.db2.gz GQFJUKYQMMFLPZ-HKUYNNGSSA-N 1 3 329.532 3.992 20 0 EHADHO Clc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000415014398 1017408481 /nfs/dbraw/zinc/40/84/81/1017408481.db2.gz XAPJXTORWQCDGR-DZGCQCFKSA-N 1 3 343.696 3.580 20 0 EHADHO CC[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccncc1 ZINC000163698093 1017461237 /nfs/dbraw/zinc/46/12/37/1017461237.db2.gz UOZIFTHQBBSYSL-NRFANRHFSA-N 1 3 341.474 3.969 20 0 EHADHO CO[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000415078206 1017509072 /nfs/dbraw/zinc/50/90/72/1017509072.db2.gz FZLREPOPZISFSP-VAMGGRTRSA-N 1 3 328.431 3.596 20 0 EHADHO CC(C)C[C@H](N)C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000415078596 1017518387 /nfs/dbraw/zinc/51/83/87/1017518387.db2.gz IYQMIHBGCSYLOZ-NRFANRHFSA-N 1 3 326.484 3.866 20 0 EHADHO C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000415087343 1017532434 /nfs/dbraw/zinc/53/24/34/1017532434.db2.gz STVBFNSORPDYBB-RCCFBDPRSA-N 1 3 335.561 3.641 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415126721 1017591700 /nfs/dbraw/zinc/59/17/00/1017591700.db2.gz UZNXBJPRDXROCH-NFAWXSAZSA-N 1 3 325.294 3.500 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655789188 1017609654 /nfs/dbraw/zinc/60/96/54/1017609654.db2.gz XFRVRDOOWJSLSS-RCOXNQKVSA-N 1 3 334.548 3.967 20 0 EHADHO CCC[NH+]1CCC(NCCc2csc(-c3ccccc3)n2)CC1 ZINC000236793479 1018358230 /nfs/dbraw/zinc/35/82/30/1018358230.db2.gz GDZBTSRKONEITD-UHFFFAOYSA-N 1 3 329.513 3.817 20 0 EHADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261952332 1018607692 /nfs/dbraw/zinc/60/76/92/1018607692.db2.gz NIGNKJKTHXTVJA-GFCCVEGCSA-N 1 3 344.286 3.525 20 0 EHADHO c1nc2cc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2[nH]1 ZINC000580363865 1019187745 /nfs/dbraw/zinc/18/77/45/1019187745.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1nc2cc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2[nH]1 ZINC000580363865 1019187757 /nfs/dbraw/zinc/18/77/57/1019187757.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1nc2ccc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363865 1019187765 /nfs/dbraw/zinc/18/77/65/1019187765.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1nc2ccc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2[nH]1 ZINC000580363865 1019187774 /nfs/dbraw/zinc/18/77/74/1019187774.db2.gz RBBPTSBMONHXAC-QFIPXVFZSA-N 1 3 346.478 3.661 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000564823182 1019223061 /nfs/dbraw/zinc/22/30/61/1019223061.db2.gz VZXPZRQTKBJPIN-HXPMCKFVSA-N 1 3 331.410 3.855 20 0 EHADHO C[C@H](Cc1cnn(C)c1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449584387 1032851584 /nfs/dbraw/zinc/85/15/84/1032851584.db2.gz JRVQSAUYOHXPSX-MRXNPFEDSA-N 1 3 334.552 3.620 20 0 EHADHO CN(C)C[C@@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000156177417 1020763601 /nfs/dbraw/zinc/76/36/01/1020763601.db2.gz JKZGOFSWFFSMDY-AWEZNQCLSA-N 1 3 349.931 3.864 20 0 EHADHO CN(C)C[C@@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000156177417 1020763608 /nfs/dbraw/zinc/76/36/08/1020763608.db2.gz JKZGOFSWFFSMDY-AWEZNQCLSA-N 1 3 349.931 3.864 20 0 EHADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000581564058 1021092313 /nfs/dbraw/zinc/09/23/13/1021092313.db2.gz FPQNVLAQQDIZPU-CSEOROSGSA-N 1 3 342.527 3.570 20 0 EHADHO CCCn1c2ccccc2nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786708 1021342919 /nfs/dbraw/zinc/34/29/19/1021342919.db2.gz WUBHMRVAZIIGAJ-GOSISDBHSA-N 1 3 340.515 3.658 20 0 EHADHO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000437096317 1021547860 /nfs/dbraw/zinc/54/78/60/1021547860.db2.gz SSXCXDZWSWJMIO-XUVXKRRUSA-N 1 3 330.516 3.692 20 0 EHADHO c1cc(CNCc2cccc3c2NCCC3)cc(C[NH+]2CCCC2)c1 ZINC000894384943 1021570454 /nfs/dbraw/zinc/57/04/54/1021570454.db2.gz NLDJNDDGKPNHKU-UHFFFAOYSA-N 1 3 335.495 3.930 20 0 EHADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542706 1021666383 /nfs/dbraw/zinc/66/63/83/1021666383.db2.gz CYCWXDNKYMIYDF-UONOGXRCSA-N 1 3 330.394 3.534 20 0 EHADHO CCCn1cc(CN2CCC(CC[N@H+](CC)CC(C)C)CC2)cn1 ZINC000581752980 1021686192 /nfs/dbraw/zinc/68/61/92/1021686192.db2.gz CRHPVZDUUTZHKG-UHFFFAOYSA-N 1 3 334.552 3.873 20 0 EHADHO CCCn1cc(CN2CCC(CC[N@@H+](CC)CC(C)C)CC2)cn1 ZINC000581752980 1021686197 /nfs/dbraw/zinc/68/61/97/1021686197.db2.gz CRHPVZDUUTZHKG-UHFFFAOYSA-N 1 3 334.552 3.873 20 0 EHADHO Cc1ccccc1[C@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441116631 1021988402 /nfs/dbraw/zinc/98/84/02/1021988402.db2.gz QBSSWMLCYOTJKG-IBGZPJMESA-N 1 3 329.532 3.546 20 0 EHADHO C[NH2+]C[C@H]1CCCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430668902 1022101524 /nfs/dbraw/zinc/10/15/24/1022101524.db2.gz SGZNOHAXTYBQFY-OAHLLOKOSA-N 1 3 344.421 3.796 20 0 EHADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415054516 1022171355 /nfs/dbraw/zinc/17/13/55/1022171355.db2.gz NQHJOPLWYOIUOR-IBGZPJMESA-N 1 3 328.504 3.825 20 0 EHADHO C[C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)CN(C)C ZINC000425915681 1022199655 /nfs/dbraw/zinc/19/96/55/1022199655.db2.gz DJWPSISICILYAX-HNAYVOBHSA-N 1 3 331.891 3.806 20 0 EHADHO CCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639710 1022743224 /nfs/dbraw/zinc/74/32/24/1022743224.db2.gz MAUUHBOURAIIPA-RHSMWYFYSA-N 1 3 345.314 3.881 20 0 EHADHO CCC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000187911437 1022798497 /nfs/dbraw/zinc/79/84/97/1022798497.db2.gz XRTKAXZFSMVNRX-VQTJNVASSA-N 1 3 344.524 3.946 20 0 EHADHO CCC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccsc1 ZINC000187911437 1022798511 /nfs/dbraw/zinc/79/85/11/1022798511.db2.gz XRTKAXZFSMVNRX-VQTJNVASSA-N 1 3 344.524 3.946 20 0 EHADHO Oc1ccc(CCC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000548394719 1022841562 /nfs/dbraw/zinc/84/15/62/1022841562.db2.gz UZJSNEAHTDZHSK-UHFFFAOYSA-N 1 3 330.516 3.913 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414941317 1022916052 /nfs/dbraw/zinc/91/60/52/1022916052.db2.gz LNWXOINXKSTWKQ-XKQJLSEDSA-N 1 3 339.321 3.748 20 0 EHADHO Cc1cccc([C@H](C)[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000441475522 1023087908 /nfs/dbraw/zinc/08/79/08/1023087908.db2.gz QCQZTJWVXIYFMD-QRVBRYPASA-N 1 3 330.516 3.877 20 0 EHADHO C[C@@H](C[NH2+][C@H]1CCNCC1(C)C)c1cccc(Br)c1 ZINC000414982167 1023275611 /nfs/dbraw/zinc/27/56/11/1023275611.db2.gz YNVXFSZHKOFHGX-WFASDCNBSA-N 1 3 325.294 3.530 20 0 EHADHO CCCOc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735117 1023502829 /nfs/dbraw/zinc/50/28/29/1023502829.db2.gz NMOVEBSVSLFATF-UHFFFAOYSA-N 1 3 346.515 3.552 20 0 EHADHO COCCC[NH+]1CCC(N[C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000535685369 1023564292 /nfs/dbraw/zinc/56/42/92/1023564292.db2.gz HXRYSXCLUPILGH-IBGZPJMESA-N 1 3 336.907 3.808 20 0 EHADHO C[NH2+]CCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000261994494 1023665163 /nfs/dbraw/zinc/66/51/63/1023665163.db2.gz NFXKSIDCROQAKN-UHFFFAOYSA-N 1 3 331.287 3.694 20 0 EHADHO O=C(c1ccccc1)[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002392 1024049239 /nfs/dbraw/zinc/04/92/39/1024049239.db2.gz QTPVUTCZVJDZAJ-CBQMWWCCSA-N 1 3 338.495 3.597 20 0 EHADHO O=C(c1ccccc1)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168002392 1024049252 /nfs/dbraw/zinc/04/92/52/1024049252.db2.gz QTPVUTCZVJDZAJ-CBQMWWCCSA-N 1 3 338.495 3.597 20 0 EHADHO Brc1cnccc1CNCCCCC[NH+]1CCCCC1 ZINC000631070763 1024104475 /nfs/dbraw/zinc/10/44/75/1024104475.db2.gz FQEYKBGOFUEXSI-UHFFFAOYSA-N 1 3 340.309 3.590 20 0 EHADHO C[C@@H]1CC([NH2+]CCN2CCCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168006330 1024411216 /nfs/dbraw/zinc/41/12/16/1024411216.db2.gz NEPMMPIUPWRTPZ-RTBURBONSA-N 1 3 329.532 3.504 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000665232000 1024686279 /nfs/dbraw/zinc/68/62/79/1024686279.db2.gz CVLVFDZZZXGABS-VSKRKVRLSA-N 1 3 335.495 3.802 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000665232000 1024686286 /nfs/dbraw/zinc/68/62/86/1024686286.db2.gz CVLVFDZZZXGABS-VSKRKVRLSA-N 1 3 335.495 3.802 20 0 EHADHO C[NH2+]CCC1CCN(Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000346658159 1024993959 /nfs/dbraw/zinc/99/39/59/1024993959.db2.gz UCADVZUGZOYFTR-UHFFFAOYSA-N 1 3 346.906 3.656 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4cccnc4)[C@H]3C2)cc1 ZINC000428227634 1025047011 /nfs/dbraw/zinc/04/70/11/1025047011.db2.gz SOFGSVYFPBDTMQ-RJGXRXQPSA-N 1 3 349.522 3.905 20 0 EHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCc2ccccc2F)c1 ZINC000469854185 1025179583 /nfs/dbraw/zinc/17/95/83/1025179583.db2.gz VXLBSHWHBITXIA-RDJZCZTQSA-N 1 3 328.431 3.574 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1OC ZINC000474598377 1025196720 /nfs/dbraw/zinc/19/67/20/1025196720.db2.gz OZNZPAMNKRTTOE-ZACQAIPSSA-N 1 3 334.504 3.517 20 0 EHADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(OCc4ccccc4F)c3)C[C@H]12 ZINC000346856805 1025246628 /nfs/dbraw/zinc/24/66/28/1025246628.db2.gz PPWAOUQNEJHQBX-LKUPVBHCSA-N 1 3 340.442 3.574 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044432 1025460106 /nfs/dbraw/zinc/46/01/06/1025460106.db2.gz FJGAAKJTYUOTTG-FPOVZHCZSA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CCOC4CCC4)CC[C@@H]32)cc1 ZINC000347044432 1025460114 /nfs/dbraw/zinc/46/01/14/1025460114.db2.gz FJGAAKJTYUOTTG-FPOVZHCZSA-N 1 3 328.500 3.542 20 0 EHADHO CC(C)Cc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442875603 1025548385 /nfs/dbraw/zinc/54/83/85/1025548385.db2.gz PFZIRUXCSXQUCH-SFHVURJKSA-N 1 3 331.548 3.562 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(C)(C)C)cc1 ZINC000442873368 1025548437 /nfs/dbraw/zinc/54/84/37/1025548437.db2.gz KWZGQIOBWMGEPO-QGZVFWFLSA-N 1 3 331.548 3.661 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425534146 1025679629 /nfs/dbraw/zinc/67/96/29/1025679629.db2.gz BCCIQKWHOHPDJS-OAQYLSRUSA-N 1 3 343.559 3.876 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425534146 1025679641 /nfs/dbraw/zinc/67/96/41/1025679641.db2.gz BCCIQKWHOHPDJS-OAQYLSRUSA-N 1 3 343.559 3.876 20 0 EHADHO Cc1ccc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)n1C ZINC001168016855 1026037295 /nfs/dbraw/zinc/03/72/95/1026037295.db2.gz WDDSSOPZKYOXKA-QZTJIDSGSA-N 1 3 325.500 3.865 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1csc(C(F)(F)F)c1 ZINC000925238791 1026360073 /nfs/dbraw/zinc/36/00/73/1026360073.db2.gz ATVZGLFLTKMFIN-DGCLKSJQSA-N 1 3 338.439 3.774 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033333 1026459994 /nfs/dbraw/zinc/45/99/94/1026459994.db2.gz WWMPTANBNOGKJX-VXKWHMMOSA-N 1 3 335.495 3.611 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CCc4ccncc4)CC[C@@H]32)cc1 ZINC000159033333 1026459997 /nfs/dbraw/zinc/45/99/97/1026459997.db2.gz WWMPTANBNOGKJX-VXKWHMMOSA-N 1 3 335.495 3.611 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000159173918 1026516756 /nfs/dbraw/zinc/51/67/56/1026516756.db2.gz RGFAYGDYZBWRPY-QGZVFWFLSA-N 1 3 334.504 3.625 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc(C(C)(C)C)nc2)C1 ZINC000342725693 1026861419 /nfs/dbraw/zinc/86/14/19/1026861419.db2.gz IEVBLNYTYPYNMB-IRXDYDNUSA-N 1 3 332.536 3.622 20 0 EHADHO Cc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301713998 1026912298 /nfs/dbraw/zinc/91/22/98/1026912298.db2.gz JCUQYYYZUREWHA-IAGOWNOFSA-N 1 3 327.472 3.845 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000513712770 1027223281 /nfs/dbraw/zinc/22/32/81/1027223281.db2.gz FMQLLZUMZRAMKG-RJGXRXQPSA-N 1 3 349.522 3.905 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000513714177 1027260530 /nfs/dbraw/zinc/26/05/30/1027260530.db2.gz ZPZGAJONTOZMCF-YESZJQIVSA-N 1 3 342.405 3.547 20 0 EHADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420290475 1027446152 /nfs/dbraw/zinc/44/61/52/1027446152.db2.gz JFIKTTHVONELAY-AWEZNQCLSA-N 1 3 344.890 3.665 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420303758 1027449138 /nfs/dbraw/zinc/44/91/38/1027449138.db2.gz DIOGIAFFKVUQKC-HBMCJLEFSA-N 1 3 330.516 3.618 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420303758 1027449147 /nfs/dbraw/zinc/44/91/47/1027449147.db2.gz DIOGIAFFKVUQKC-HBMCJLEFSA-N 1 3 330.516 3.618 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000420325668 1027479935 /nfs/dbraw/zinc/47/99/35/1027479935.db2.gz WNPRFIRNPPUJPG-PXNSSMCTSA-N 1 3 328.431 3.714 20 0 EHADHO CC(C)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000657612669 1027648953 /nfs/dbraw/zinc/64/89/53/1027648953.db2.gz CGGKDWVBRJMSQG-UHFFFAOYSA-N 1 3 337.511 3.861 20 0 EHADHO c1cc2cnccc2c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613759 1027653697 /nfs/dbraw/zinc/65/36/97/1027653697.db2.gz QYQAEGHLBWGNNC-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701236 1027862336 /nfs/dbraw/zinc/86/23/36/1027862336.db2.gz IDQIVKFBYIBGST-BBRMVZONSA-N 1 3 326.406 3.844 20 0 EHADHO C[C@H](CN[C@@H](C[C@H]1CCOC1)c1ccccc1)C[NH+]1CCCCC1 ZINC000339068407 1027897309 /nfs/dbraw/zinc/89/73/09/1027897309.db2.gz PIEYIKLFIUKAQP-SBHAEUEKSA-N 1 3 330.516 3.866 20 0 EHADHO C[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CN1CCCCC1 ZINC000339068407 1027897332 /nfs/dbraw/zinc/89/73/32/1027897332.db2.gz PIEYIKLFIUKAQP-SBHAEUEKSA-N 1 3 330.516 3.866 20 0 EHADHO CCOc1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OCC ZINC000422758520 1027899498 /nfs/dbraw/zinc/89/94/98/1027899498.db2.gz KIVLPAQOHVMJEO-RBUKOAKNSA-N 1 3 340.467 3.761 20 0 EHADHO CCOc1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OCC ZINC000422758515 1027902252 /nfs/dbraw/zinc/90/22/52/1027902252.db2.gz KIVLPAQOHVMJEO-MOPGFXCFSA-N 1 3 340.467 3.761 20 0 EHADHO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1)c1cnccc1N ZINC000422749076 1027914303 /nfs/dbraw/zinc/91/43/03/1027914303.db2.gz XKGXTBKEQSFLNM-YJBOKZPZSA-N 1 3 344.528 3.679 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000422768844 1027923741 /nfs/dbraw/zinc/92/37/41/1027923741.db2.gz SHYLMBCJHGKQSD-RBUKOAKNSA-N 1 3 332.875 3.773 20 0 EHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422829038 1027971134 /nfs/dbraw/zinc/97/11/34/1027971134.db2.gz UJJXABGUTYCVQS-HOTGVXAUSA-N 1 3 330.394 3.515 20 0 EHADHO CCc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422853153 1027990405 /nfs/dbraw/zinc/99/04/05/1027990405.db2.gz BNZQEJULMVWIJF-PKOBYXMFSA-N 1 3 328.481 3.656 20 0 EHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881960 1028014834 /nfs/dbraw/zinc/01/48/34/1028014834.db2.gz RJVXSODFDPAEPO-HOTGVXAUSA-N 1 3 343.298 3.511 20 0 EHADHO Clc1cccc(CN2CCCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422902914 1028037958 /nfs/dbraw/zinc/03/79/58/1028037958.db2.gz DYYKGSSYHIERQJ-JIRNRHONSA-N 1 3 347.934 3.567 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000422915271 1028044856 /nfs/dbraw/zinc/04/48/56/1028044856.db2.gz APEBZEJCWWFWCO-OLZOCXBDSA-N 1 3 333.863 3.620 20 0 EHADHO N[C@H]1C[C@H]([NH2+]CCNc2cccc(Br)c2)c2ccccc21 ZINC000422962122 1028077292 /nfs/dbraw/zinc/07/72/92/1028077292.db2.gz DWLMDQFXHRRIKQ-IRXDYDNUSA-N 1 3 346.272 3.595 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000422999432 1028113421 /nfs/dbraw/zinc/11/34/21/1028113421.db2.gz FANKZZOGOCSUQX-FIKGOQFSSA-N 1 3 339.483 3.667 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000422999431 1028114665 /nfs/dbraw/zinc/11/46/65/1028114665.db2.gz FANKZZOGOCSUQX-CSODHUTKSA-N 1 3 339.483 3.667 20 0 EHADHO CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423026552 1028135496 /nfs/dbraw/zinc/13/54/96/1028135496.db2.gz QGJQUIPIKDQVEL-FNAHDJPLSA-N 1 3 342.527 3.934 20 0 EHADHO COCCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(Cl)cc1 ZINC000423097334 1028179296 /nfs/dbraw/zinc/17/92/96/1028179296.db2.gz ANGSCPXXIAQWIP-YQVWRLOYSA-N 1 3 338.923 3.957 20 0 EHADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423221732 1028289649 /nfs/dbraw/zinc/28/96/49/1028289649.db2.gz XVPJVXJIQZVDGM-BJJXKVORSA-N 1 3 325.294 3.878 20 0 EHADHO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2cccc(-n3ccnn3)c2)cc1 ZINC000423252892 1028315363 /nfs/dbraw/zinc/31/53/63/1028315363.db2.gz YAVQZSYIXXEQNI-IERDGZPVSA-N 1 3 349.482 3.741 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423398880 1028412869 /nfs/dbraw/zinc/41/28/69/1028412869.db2.gz UIROIHTULILCIF-QGZVFWFLSA-N 1 3 347.384 3.871 20 0 EHADHO CN(Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000414757350 1028571776 /nfs/dbraw/zinc/57/17/76/1028571776.db2.gz WWMAJFTXWJJHFH-GOSISDBHSA-N 1 3 334.467 3.599 20 0 EHADHO OCC1([NH2+]C2CCN(C3CCCCC3)CC2)C2CC3CC(C2)CC1C3 ZINC000414551008 1028743780 /nfs/dbraw/zinc/74/37/80/1028743780.db2.gz JHKAOQSIQLUVPL-UHFFFAOYSA-N 1 3 346.559 3.560 20 0 EHADHO Fc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771621 1028764294 /nfs/dbraw/zinc/76/42/94/1028764294.db2.gz ABOWKGVHJMQKFN-CVEARBPZSA-N 1 3 345.487 3.771 20 0 EHADHO COc1ccc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C(C)C)c(F)c1 ZINC000421819198 1028835509 /nfs/dbraw/zinc/83/55/09/1028835509.db2.gz FQUMTCSAGLBWEJ-HXUWFJFHSA-N 1 3 334.479 3.995 20 0 EHADHO Fc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000414777977 1028878703 /nfs/dbraw/zinc/87/87/03/1028878703.db2.gz ISQUSCONTBVHLS-CHWSQXEVSA-N 1 3 330.369 3.666 20 0 EHADHO c1csc([C@H](Cc2ccncc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000424269412 1028925742 /nfs/dbraw/zinc/92/57/42/1028925742.db2.gz PGKQCNPQSCRGND-WMZOPIPTSA-N 1 3 327.497 3.501 20 0 EHADHO c1csc([C@H](Cc2ccncc2)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269412 1028925760 /nfs/dbraw/zinc/92/57/60/1028925760.db2.gz PGKQCNPQSCRGND-WMZOPIPTSA-N 1 3 327.497 3.501 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OCc1ccccc1 ZINC000424365037 1029029340 /nfs/dbraw/zinc/02/93/40/1029029340.db2.gz FXDLTQJGJUUXBO-RTBURBONSA-N 1 3 340.467 3.634 20 0 EHADHO C[C@H]1CC2(CN1Cc1ccc(F)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424382819 1029037536 /nfs/dbraw/zinc/03/75/36/1029037536.db2.gz SXXFJCYQSIEYDO-LBPRGKRZSA-N 1 3 330.369 3.809 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414789274 1029077848 /nfs/dbraw/zinc/07/78/48/1029077848.db2.gz YINIJLNWGTWFFQ-MSOLQXFVSA-N 1 3 341.524 3.940 20 0 EHADHO c1cc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cs1 ZINC000414790083 1029082891 /nfs/dbraw/zinc/08/28/91/1029082891.db2.gz ZKSARAGHQNEKQU-UONOGXRCSA-N 1 3 333.526 3.693 20 0 EHADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000154544294 1029219850 /nfs/dbraw/zinc/21/98/50/1029219850.db2.gz JVDFMWWAVQTVGY-FQEVSTJZSA-N 1 3 345.531 3.585 20 0 EHADHO CCCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000154544294 1029219865 /nfs/dbraw/zinc/21/98/65/1029219865.db2.gz JVDFMWWAVQTVGY-FQEVSTJZSA-N 1 3 345.531 3.585 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(F)c(Br)c1)C2 ZINC000285408805 1029283929 /nfs/dbraw/zinc/28/39/29/1029283929.db2.gz FULKJBYXNLUOOF-PBWFPOADSA-N 1 3 341.268 3.645 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(F)c(Br)c1)C2 ZINC000285408805 1029283942 /nfs/dbraw/zinc/28/39/42/1029283942.db2.gz FULKJBYXNLUOOF-PBWFPOADSA-N 1 3 341.268 3.645 20 0 EHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000272501142 1029486891 /nfs/dbraw/zinc/48/68/91/1029486891.db2.gz LKCXNRPDWBZKQG-FCHUYYIVSA-N 1 3 348.490 3.724 20 0 EHADHO [NH3+]C[C@@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261768504 1029500429 /nfs/dbraw/zinc/50/04/29/1029500429.db2.gz DMXPYHTZUGCTIN-HNNXBMFYSA-N 1 3 330.422 3.767 20 0 EHADHO C[NH2+]CCC1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261972231 1029543243 /nfs/dbraw/zinc/54/32/43/1029543243.db2.gz DOAKKKZXURGDOC-UHFFFAOYSA-N 1 3 333.863 3.817 20 0 EHADHO COc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1OC ZINC000583356689 1029695866 /nfs/dbraw/zinc/69/58/66/1029695866.db2.gz FGFIRVFXZKGETQ-UHFFFAOYSA-N 1 3 346.515 3.633 20 0 EHADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000525484683 1029865287 /nfs/dbraw/zinc/86/52/87/1029865287.db2.gz KFPLOOFTCCJPEZ-KZNAEPCWSA-N 1 3 343.515 3.872 20 0 EHADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000525484683 1029865294 /nfs/dbraw/zinc/86/52/94/1029865294.db2.gz KFPLOOFTCCJPEZ-KZNAEPCWSA-N 1 3 343.515 3.872 20 0 EHADHO CN1CCC[C@@H](C[N@H+](C)CCOc2cc(Cl)ccc2Cl)C1 ZINC000525488504 1029867103 /nfs/dbraw/zinc/86/71/03/1029867103.db2.gz UFUROJHYOWEJQA-CYBMUJFWSA-N 1 3 331.287 3.646 20 0 EHADHO CN1CCC[C@@H](C[N@@H+](C)CCOc2cc(Cl)ccc2Cl)C1 ZINC000525488504 1029867112 /nfs/dbraw/zinc/86/71/12/1029867112.db2.gz UFUROJHYOWEJQA-CYBMUJFWSA-N 1 3 331.287 3.646 20 0 EHADHO Cc1ncccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771581 1030149058 /nfs/dbraw/zinc/14/90/58/1030149058.db2.gz DFQPAMBOLIBHAT-NRFANRHFSA-N 1 3 335.495 3.782 20 0 EHADHO COC[C@@H](NCCCC[N@H+](C)C1CC1)c1cccc(Cl)c1F ZINC000453402908 1030210745 /nfs/dbraw/zinc/21/07/45/1030210745.db2.gz OBQHWIMLDHFTAX-MRXNPFEDSA-N 1 3 328.859 3.631 20 0 EHADHO COC[C@@H](NCCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1F ZINC000453402908 1030210759 /nfs/dbraw/zinc/21/07/59/1030210759.db2.gz OBQHWIMLDHFTAX-MRXNPFEDSA-N 1 3 328.859 3.631 20 0 EHADHO Fc1ccc([C@H](NCC2CC[NH+](C3CC3)CC2)c2cccnc2)cc1 ZINC000447578142 1030340638 /nfs/dbraw/zinc/34/06/38/1030340638.db2.gz KAEVHDGOQJBHHO-NRFANRHFSA-N 1 3 339.458 3.774 20 0 EHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000121893149 1030435006 /nfs/dbraw/zinc/43/50/06/1030435006.db2.gz NZJXQFQEKNCKOR-KSSFIOAISA-N 1 3 334.891 3.936 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000482629351 1030593068 /nfs/dbraw/zinc/59/30/68/1030593068.db2.gz MMYCLLPLEPVUQS-UZKOGDIHSA-N 1 3 341.543 3.504 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000278398463 1030611193 /nfs/dbraw/zinc/61/11/93/1030611193.db2.gz GISHMDZYDCBAHI-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000278398463 1030611207 /nfs/dbraw/zinc/61/12/07/1030611207.db2.gz GISHMDZYDCBAHI-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO CC[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000093502250 1030622254 /nfs/dbraw/zinc/62/22/54/1030622254.db2.gz NDIAFHIZFQGNLD-IBGZPJMESA-N 1 3 347.572 3.544 20 0 EHADHO C[C@@H]1C[C@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644445 1030650520 /nfs/dbraw/zinc/65/05/20/1030650520.db2.gz KTPZOOCBPAEUFU-YLJYHZDGSA-N 1 3 348.494 3.940 20 0 EHADHO C[C@@H]1C[C@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644445 1030650526 /nfs/dbraw/zinc/65/05/26/1030650526.db2.gz KTPZOOCBPAEUFU-YLJYHZDGSA-N 1 3 348.494 3.940 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000650758019 1030816899 /nfs/dbraw/zinc/81/68/99/1030816899.db2.gz GZAQVXAPIRCORG-AWEZNQCLSA-N 1 3 330.497 3.987 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C[C@@H](C)O1 ZINC000482977634 1030875818 /nfs/dbraw/zinc/87/58/18/1030875818.db2.gz GBZQBIMQROWWIG-WHSLLNHNSA-N 1 3 346.490 3.634 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C[C@@H](C)O1 ZINC000482977636 1030876639 /nfs/dbraw/zinc/87/66/39/1030876639.db2.gz GBZQBIMQROWWIG-ZOCZFRKYSA-N 1 3 346.490 3.634 20 0 EHADHO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000278457211 1030938348 /nfs/dbraw/zinc/93/83/48/1030938348.db2.gz MFDSYRJABNTQES-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000278457211 1030938365 /nfs/dbraw/zinc/93/83/65/1030938365.db2.gz MFDSYRJABNTQES-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000278457211 1030938376 /nfs/dbraw/zinc/93/83/76/1030938376.db2.gz MFDSYRJABNTQES-BWAGFHJFSA-N 1 3 338.495 3.529 20 0 EHADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263810 1031176788 /nfs/dbraw/zinc/17/67/88/1031176788.db2.gz UELDRLMSUPLTSY-IRFCIJBXSA-N 1 3 344.543 3.939 20 0 EHADHO c1ccc2c(c1)snc2CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903203181 1031283172 /nfs/dbraw/zinc/28/31/72/1031283172.db2.gz IZPWIHWLFVAYMK-VHRNVKJDSA-N 1 3 327.497 3.586 20 0 EHADHO c1ccc2c(c1)snc2CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903203181 1031283183 /nfs/dbraw/zinc/28/31/83/1031283183.db2.gz IZPWIHWLFVAYMK-VHRNVKJDSA-N 1 3 327.497 3.586 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995629 1031431978 /nfs/dbraw/zinc/43/19/78/1031431978.db2.gz UQXMFNUMCRJQDI-ZBFHGGJFSA-N 1 3 349.906 3.630 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000178035473 1031610542 /nfs/dbraw/zinc/61/05/42/1031610542.db2.gz XTHMXQYXLVJDRR-ZNMIVQPWSA-N 1 3 326.431 3.505 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000178035494 1031611316 /nfs/dbraw/zinc/61/13/16/1031611316.db2.gz XTHMXQYXLVJDRR-KFWWJZLASA-N 1 3 326.431 3.505 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000178067262 1031617433 /nfs/dbraw/zinc/61/74/33/1031617433.db2.gz ZCCLQAPLSFEVLR-DLBZAZTESA-N 1 3 326.488 3.563 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000178067262 1031617440 /nfs/dbraw/zinc/61/74/40/1031617440.db2.gz ZCCLQAPLSFEVLR-DLBZAZTESA-N 1 3 326.488 3.563 20 0 EHADHO COc1cc([C@H](C)[NH2+]CCCN2CCCCC2)ccc1OC(F)F ZINC000178409625 1031695995 /nfs/dbraw/zinc/69/59/95/1031695995.db2.gz XWBCRICXIAEBSG-AWEZNQCLSA-N 1 3 342.430 3.823 20 0 EHADHO Cc1cc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013823 1031972699 /nfs/dbraw/zinc/97/26/99/1031972699.db2.gz ZEQYJHRZXRKCLY-VXGBXAGGSA-N 1 3 331.323 3.811 20 0 EHADHO Cc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013823 1031972709 /nfs/dbraw/zinc/97/27/09/1031972709.db2.gz ZEQYJHRZXRKCLY-VXGBXAGGSA-N 1 3 331.323 3.811 20 0 EHADHO CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)c1cccnc1 ZINC000685469969 1033366630 /nfs/dbraw/zinc/36/66/30/1033366630.db2.gz ZGNHUTWCYRLLLP-QGZVFWFLSA-N 1 3 327.472 3.605 20 0 EHADHO FCC1(CF)CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000657970487 1033771307 /nfs/dbraw/zinc/77/13/07/1033771307.db2.gz DFSCFMBHYFJGNX-DFQSSKMNSA-N 1 3 348.481 3.965 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C/C[N@@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772344 /nfs/dbraw/zinc/77/23/44/1033772344.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C/C[N@H+]2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772357 /nfs/dbraw/zinc/77/23/57/1033772357.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1C[N@H+](C/C=C/CN2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772365 /nfs/dbraw/zinc/77/23/65/1033772365.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1C[N@@H+](C/C=C/CN2CCS[C@@H](C(C)C)C2)CCS1 ZINC000608577907 1033772382 /nfs/dbraw/zinc/77/23/82/1033772382.db2.gz SIIGKPURBZQPGQ-FBLDJFESSA-N 1 3 342.618 3.689 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4COC5(CCC5)C4)[C@H]3C2)cc1 ZINC000657970082 1033773159 /nfs/dbraw/zinc/77/31/59/1033773159.db2.gz ANIKYCIFMRIEGU-WOZUAGRISA-N 1 3 340.511 3.588 20 0 EHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658061949 1033877566 /nfs/dbraw/zinc/87/75/66/1033877566.db2.gz PWYAJMWWNTXODW-WIYYLYMNSA-N 1 3 343.559 3.544 20 0 EHADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1OC ZINC000658227172 1034087429 /nfs/dbraw/zinc/08/74/29/1034087429.db2.gz SZEOPQCLOUSJOL-WMZOPIPTSA-N 1 3 346.515 3.631 20 0 EHADHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1OC ZINC000658227172 1034087441 /nfs/dbraw/zinc/08/74/41/1034087441.db2.gz SZEOPQCLOUSJOL-WMZOPIPTSA-N 1 3 346.515 3.631 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230307 1034090683 /nfs/dbraw/zinc/09/06/83/1034090683.db2.gz XTHHVCFAVSTNKG-IRXDYDNUSA-N 1 3 340.515 3.881 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230307 1034090700 /nfs/dbraw/zinc/09/07/00/1034090700.db2.gz XTHHVCFAVSTNKG-IRXDYDNUSA-N 1 3 340.515 3.881 20 0 EHADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1(F)F ZINC000658216220 1034099657 /nfs/dbraw/zinc/09/96/57/1034099657.db2.gz AMYDFPFGHQKUEV-FCGDIQPGSA-N 1 3 334.454 3.922 20 0 EHADHO C[NH+](C)C1CCC(n2c3ccccc3nc2[C@H]2CCCCN2)CC1 ZINC001168326589 1034153678 /nfs/dbraw/zinc/15/36/78/1034153678.db2.gz BXWNDKMJBXDHGW-LEOMRAHMSA-N 1 3 326.488 3.896 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CCC[C@H]([NH+](C)C)CC3)c2c1 ZINC000450485183 1034413603 /nfs/dbraw/zinc/41/36/03/1034413603.db2.gz IRMNZVBGESIRRO-INIZCTEOSA-N 1 3 327.472 3.943 20 0 EHADHO C[N@@H+]1CC[C@@H](NCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185874 1034441362 /nfs/dbraw/zinc/44/13/62/1034441362.db2.gz QECJZTWZAVKVBQ-IRLDBZIGSA-N 1 3 346.478 3.797 20 0 EHADHO C[N@H+]1CC[C@@H](NCc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000340185874 1034441370 /nfs/dbraw/zinc/44/13/70/1034441370.db2.gz QECJZTWZAVKVBQ-IRLDBZIGSA-N 1 3 346.478 3.797 20 0 EHADHO Fc1cccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000061735385 1034454045 /nfs/dbraw/zinc/45/40/45/1034454045.db2.gz VRNPNYUSPGBIGM-UHFFFAOYSA-N 1 3 334.479 3.793 20 0 EHADHO COc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1OC ZINC000065976603 1035047613 /nfs/dbraw/zinc/04/76/13/1035047613.db2.gz IZSIGCBDGZPVNC-UHFFFAOYSA-N 1 3 342.483 3.834 20 0 EHADHO COc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000065976603 1035047625 /nfs/dbraw/zinc/04/76/25/1035047625.db2.gz IZSIGCBDGZPVNC-UHFFFAOYSA-N 1 3 342.483 3.834 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000310078278 1035332454 /nfs/dbraw/zinc/33/24/54/1035332454.db2.gz HKWGKYOUZNPAAE-FUHWJXTLSA-N 1 3 327.447 3.784 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000414078953 1035454844 /nfs/dbraw/zinc/45/48/44/1035454844.db2.gz BNERDFLVKQTTRH-OPYAIIAOSA-N 1 3 348.531 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(OC)cc2C)[C@H](C)C1 ZINC000414078953 1035454849 /nfs/dbraw/zinc/45/48/49/1035454849.db2.gz BNERDFLVKQTTRH-OPYAIIAOSA-N 1 3 348.531 3.791 20 0 EHADHO Cc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000492330306 1035630566 /nfs/dbraw/zinc/63/05/66/1035630566.db2.gz OYCQWBTWQMULAV-FPOVZHCZSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001168166232 1035670333 /nfs/dbraw/zinc/67/03/33/1035670333.db2.gz IADXFQCDHMMUOR-SNRMKQJTSA-N 1 3 336.907 3.504 20 0 EHADHO CCC[NH+]1CCC(N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000122380070 1035691392 /nfs/dbraw/zinc/69/13/92/1035691392.db2.gz MPPNSCXDDOZTJU-FQEVSTJZSA-N 1 3 332.488 3.619 20 0 EHADHO C[C@H]([NH2+]CCOc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492463642 1035823821 /nfs/dbraw/zinc/82/38/21/1035823821.db2.gz JDMGNKKIRXBONQ-HKUYNNGSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H](c1cccc(F)c1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710071 1035979842 /nfs/dbraw/zinc/97/98/42/1035979842.db2.gz HAAUYDCOCRHUME-IXDOHACOSA-N 1 3 334.479 3.708 20 0 EHADHO C[C@H](c1cccc(F)c1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710071 1035979857 /nfs/dbraw/zinc/97/98/57/1035979857.db2.gz HAAUYDCOCRHUME-IXDOHACOSA-N 1 3 334.479 3.708 20 0 EHADHO Fc1cccc2c1CC[C@]21CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168396387 1036691991 /nfs/dbraw/zinc/69/19/91/1036691991.db2.gz FBUOXLGZZBZTOF-QFIPXVFZSA-N 1 3 342.502 3.980 20 0 EHADHO Fc1cccc2c1CC[C@]21CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168396387 1036691998 /nfs/dbraw/zinc/69/19/98/1036691998.db2.gz FBUOXLGZZBZTOF-QFIPXVFZSA-N 1 3 342.502 3.980 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000414344429 1036800375 /nfs/dbraw/zinc/80/03/75/1036800375.db2.gz ZMEWWRZBHSJJPO-BAGYTPMASA-N 1 3 349.522 3.859 20 0 EHADHO Cc1c[nH+]ccc1N1CCN([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168192878 1037176098 /nfs/dbraw/zinc/17/60/98/1037176098.db2.gz NZMBKHCTIKCLJA-INIZCTEOSA-N 1 3 329.875 3.797 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000542280020 1037237819 /nfs/dbraw/zinc/23/78/19/1037237819.db2.gz GKFVSBAWHCLKHA-MJGOQNOKSA-N 1 3 336.907 3.760 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000423378810 1037333896 /nfs/dbraw/zinc/33/38/96/1037333896.db2.gz WQACXVLWALWCKJ-GYSYKLTISA-N 1 3 329.307 3.821 20 0 EHADHO Cc1cc(Br)cc2c1[C@@H](N[C@@H](C)CC[NH+](C)C)CC2 ZINC000493896099 1037716399 /nfs/dbraw/zinc/71/63/99/1037716399.db2.gz CURCJZPHIFMNPB-WFASDCNBSA-N 1 3 325.294 3.675 20 0 EHADHO COC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000540405878 1037902228 /nfs/dbraw/zinc/90/22/28/1037902228.db2.gz DVGUGUSIHKIJPY-BEFAXECRSA-N 1 3 340.458 3.897 20 0 EHADHO COC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000540405878 1037902241 /nfs/dbraw/zinc/90/22/41/1037902241.db2.gz DVGUGUSIHKIJPY-BEFAXECRSA-N 1 3 340.458 3.897 20 0 EHADHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188141911 1038112006 /nfs/dbraw/zinc/11/20/06/1038112006.db2.gz JOPPVYCZLVMSIN-GOEBONIOSA-N 1 3 339.321 3.702 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1)CC1CC1 ZINC000538857554 1038567777 /nfs/dbraw/zinc/56/77/77/1038567777.db2.gz GKZUBMIMWIQPTR-UHFFFAOYSA-N 1 3 346.563 3.972 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1)CC1CC1 ZINC000538857554 1038567788 /nfs/dbraw/zinc/56/77/88/1038567788.db2.gz GKZUBMIMWIQPTR-UHFFFAOYSA-N 1 3 346.563 3.972 20 0 EHADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000461888617 1038650533 /nfs/dbraw/zinc/65/05/33/1038650533.db2.gz ZXQWWGGARVFAKQ-ROUUACIJSA-N 1 3 343.515 3.730 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c(C)c1OC ZINC000552281800 1039156720 /nfs/dbraw/zinc/15/67/20/1039156720.db2.gz KFEXCNLBDKVGMY-IAGOWNOFSA-N 1 3 348.531 3.797 20 0 EHADHO CC(C)(CNC1CC[NH+](CC2CC2)CC1)Oc1cc(F)cc(F)c1 ZINC000552317537 1039201181 /nfs/dbraw/zinc/20/11/81/1039201181.db2.gz CNJPFVPMXIVISM-UHFFFAOYSA-N 1 3 338.442 3.586 20 0 EHADHO CC(C)c1cccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000660151980 1039387933 /nfs/dbraw/zinc/38/79/33/1039387933.db2.gz ZBBUTWUFBFYQFG-UHFFFAOYSA-N 1 3 343.559 3.800 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000485703117 1039451858 /nfs/dbraw/zinc/45/18/58/1039451858.db2.gz FJZRBTKXCGBUGH-RDTXWAMCSA-N 1 3 342.886 3.706 20 0 EHADHO C[C@H](NC1CC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000584780712 1039814021 /nfs/dbraw/zinc/81/40/21/1039814021.db2.gz HVTDLIMWBJZRTR-HNNXBMFYSA-N 1 3 329.488 3.530 20 0 EHADHO C[C@H](NC1CC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000584780712 1039814047 /nfs/dbraw/zinc/81/40/47/1039814047.db2.gz HVTDLIMWBJZRTR-HNNXBMFYSA-N 1 3 329.488 3.530 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554881853 1039900785 /nfs/dbraw/zinc/90/07/85/1039900785.db2.gz FOLHEZQXQWLUOX-ZWKOTPCHSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000554881853 1039900805 /nfs/dbraw/zinc/90/08/05/1039900805.db2.gz FOLHEZQXQWLUOX-ZWKOTPCHSA-N 1 3 345.531 3.847 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000554881853 1039900823 /nfs/dbraw/zinc/90/08/23/1039900823.db2.gz FOLHEZQXQWLUOX-ZWKOTPCHSA-N 1 3 345.531 3.847 20 0 EHADHO C/C(=C\c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000555099225 1040155715 /nfs/dbraw/zinc/15/57/15/1040155715.db2.gz KXKTUDZFMGTNEF-UCGSKFKCSA-N 1 3 338.442 3.963 20 0 EHADHO C/C(=C\c1ccccc1OC(F)F)CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000555099225 1040155723 /nfs/dbraw/zinc/15/57/23/1040155723.db2.gz KXKTUDZFMGTNEF-UCGSKFKCSA-N 1 3 338.442 3.963 20 0 EHADHO OC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000512622313 1040289762 /nfs/dbraw/zinc/28/97/62/1040289762.db2.gz ANPNCNOKHBYWPC-NJDAHSKKSA-N 1 3 342.527 3.572 20 0 EHADHO c1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc(C[NH+]2CCCCCC2)c1 ZINC000667821913 1040378083 /nfs/dbraw/zinc/37/80/83/1040378083.db2.gz QKGVMMGSVXYINF-LEWJYISDSA-N 1 3 328.500 3.720 20 0 EHADHO Brc1ccc([C@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168372132 1040695017 /nfs/dbraw/zinc/69/50/17/1040695017.db2.gz UPJWIHBVRUHICY-MSOLQXFVSA-N 1 3 349.316 3.769 20 0 EHADHO CC(C)OC(=O)C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000600165156 1040772471 /nfs/dbraw/zinc/77/24/71/1040772471.db2.gz FZUXHLZKSNKJDS-ZWKOTPCHSA-N 1 3 332.488 3.532 20 0 EHADHO CC(C)C[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555615822 1040924991 /nfs/dbraw/zinc/92/49/91/1040924991.db2.gz CXDUPRSUWNKBBV-CTNGQTDRSA-N 1 3 344.543 3.939 20 0 EHADHO COCc1ccccc1/C=C(\C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000512972567 1041319833 /nfs/dbraw/zinc/31/98/33/1041319833.db2.gz UOLVMGHEUBQKTG-OBGWFSINSA-N 1 3 328.500 3.797 20 0 EHADHO COCc1ccccc1/C=C(\C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000512972567 1041319846 /nfs/dbraw/zinc/31/98/46/1041319846.db2.gz UOLVMGHEUBQKTG-OBGWFSINSA-N 1 3 328.500 3.797 20 0 EHADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661692 1041759899 /nfs/dbraw/zinc/75/98/99/1041759899.db2.gz FGUBUNNHOQEXQJ-LJQANCHMSA-N 1 3 331.891 3.712 20 0 EHADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661692 1041759901 /nfs/dbraw/zinc/75/99/01/1041759901.db2.gz FGUBUNNHOQEXQJ-LJQANCHMSA-N 1 3 331.891 3.712 20 0 EHADHO C[C@@H]([NH2+]Cc1cc2cnccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000651756457 1041998274 /nfs/dbraw/zinc/99/82/74/1041998274.db2.gz YDMWGOJRUXRXML-SJLPKXTDSA-N 1 3 335.451 3.828 20 0 EHADHO CC[N@H+](CCCNC1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000651910529 1042173721 /nfs/dbraw/zinc/17/37/21/1042173721.db2.gz XLDAHFMIACJZAH-UHFFFAOYSA-N 1 3 344.547 3.685 20 0 EHADHO CC[N@@H+](CCCNC1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000651910529 1042173723 /nfs/dbraw/zinc/17/37/23/1042173723.db2.gz XLDAHFMIACJZAH-UHFFFAOYSA-N 1 3 344.547 3.685 20 0 EHADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298428 1042665880 /nfs/dbraw/zinc/66/58/80/1042665880.db2.gz WCBKQCOQUYPCSA-CRAIPNDOSA-N 1 3 340.471 3.509 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925778167 1042906152 /nfs/dbraw/zinc/90/61/52/1042906152.db2.gz IHCSEVZEEOTRPQ-GXTWGEPZSA-N 1 3 347.247 3.735 20 0 EHADHO CCCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432424268 1043165386 /nfs/dbraw/zinc/16/53/86/1043165386.db2.gz NRBCPJJFCLNUSF-ROUUACIJSA-N 1 3 334.504 3.627 20 0 EHADHO CCCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432424268 1043165390 /nfs/dbraw/zinc/16/53/90/1043165390.db2.gz NRBCPJJFCLNUSF-ROUUACIJSA-N 1 3 334.504 3.627 20 0 EHADHO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000310513340 1043620698 /nfs/dbraw/zinc/62/06/98/1043620698.db2.gz KMERIUGAJZLVRI-VQTJNVASSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000162846077 1043800971 /nfs/dbraw/zinc/80/09/71/1043800971.db2.gz JENVDAAQCMJVOL-KKUMJFAQSA-N 1 3 326.431 3.505 20 0 EHADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCCCO2 ZINC000171129084 1126752059 /nfs/dbraw/zinc/75/20/59/1126752059.db2.gz YCDQCYSOQGZVMF-MRXNPFEDSA-N 1 3 340.467 3.760 20 0 EHADHO CC(C)[C@H](CN[C@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCCC1 ZINC000339068526 1126839146 /nfs/dbraw/zinc/83/91/46/1126839146.db2.gz QQANTQNZLGFCRD-NRSPTQNISA-N 1 3 330.516 3.864 20 0 EHADHO CC[NH+](CC)CCC[C@@H](C)NCc1ncc(Br)cc1F ZINC000623335449 1126917959 /nfs/dbraw/zinc/91/79/59/1126917959.db2.gz NLTHVKDMWXCGOD-GFCCVEGCSA-N 1 3 346.288 3.583 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344494 1126923687 /nfs/dbraw/zinc/92/36/87/1126923687.db2.gz OXDDXWIKXRDAOO-UYAOXDASSA-N 1 3 347.547 3.541 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000623344494 1126923691 /nfs/dbraw/zinc/92/36/91/1126923691.db2.gz OXDDXWIKXRDAOO-UYAOXDASSA-N 1 3 347.547 3.541 20 0 EHADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)c(C)cc1Br ZINC001238281747 1126943128 /nfs/dbraw/zinc/94/31/28/1126943128.db2.gz NIYDGMSVUITXLF-UHFFFAOYSA-N 1 3 339.321 3.840 20 0 EHADHO COc1ccccc1[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)OC(C)C ZINC000623495324 1126967822 /nfs/dbraw/zinc/96/78/22/1126967822.db2.gz ZDWHERZRCDTGLI-VQIMIIECSA-N 1 3 334.504 3.624 20 0 EHADHO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185724826 1126994527 /nfs/dbraw/zinc/99/45/27/1126994527.db2.gz STQZZMKSLNHBFG-IEBWSBKVSA-N 1 3 341.499 3.570 20 0 EHADHO COc1ccc(C)cc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036691 1127005257 /nfs/dbraw/zinc/00/52/57/1127005257.db2.gz VCSRBIKXISBFOI-KSZLIROESA-N 1 3 334.504 3.544 20 0 EHADHO CC(C)(C)N1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000177939465 1127003022 /nfs/dbraw/zinc/00/30/22/1127003022.db2.gz SOIQLRXIUJHYHG-FQEVSTJZSA-N 1 3 344.499 3.761 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121608 1127255632 /nfs/dbraw/zinc/25/56/32/1127255632.db2.gz YXZBQMKGSPDFMU-MSOLQXFVSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121608 1127255634 /nfs/dbraw/zinc/25/56/34/1127255634.db2.gz YXZBQMKGSPDFMU-MSOLQXFVSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121608 1127255636 /nfs/dbraw/zinc/25/56/36/1127255636.db2.gz YXZBQMKGSPDFMU-MSOLQXFVSA-N 1 3 345.531 3.849 20 0 EHADHO C[C@@H](NCc1cc(F)c(Br)cc1F)C1CC[NH+](C)CC1 ZINC000624160269 1127261565 /nfs/dbraw/zinc/26/15/65/1127261565.db2.gz LTEXCUKLYNINQF-SNVBAGLBSA-N 1 3 347.247 3.547 20 0 EHADHO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000185673760 1127429436 /nfs/dbraw/zinc/42/94/36/1127429436.db2.gz UYKGCXPGBRRMTR-IRXDYDNUSA-N 1 3 338.536 3.741 20 0 EHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765356820 1127601171 /nfs/dbraw/zinc/60/11/71/1127601171.db2.gz UUXBFDONORYBFJ-HNNXBMFYSA-N 1 3 345.487 3.557 20 0 EHADHO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000765453682 1127615171 /nfs/dbraw/zinc/61/51/71/1127615171.db2.gz QOJGPARPMZSULG-JOCHJYFZSA-N 1 3 344.543 3.878 20 0 EHADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921619237 1127834202 /nfs/dbraw/zinc/83/42/02/1127834202.db2.gz NSJUJPCXFWQHGW-IRFCIJBXSA-N 1 3 334.548 3.826 20 0 EHADHO CCCN(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764421 1128252454 /nfs/dbraw/zinc/25/24/54/1128252454.db2.gz DMYVVSZRXAFOKG-VAMGGRTRSA-N 1 3 349.950 3.939 20 0 EHADHO CCCN(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000671764421 1128252457 /nfs/dbraw/zinc/25/24/57/1128252457.db2.gz DMYVVSZRXAFOKG-VAMGGRTRSA-N 1 3 349.950 3.939 20 0 EHADHO C[NH+](C)CC[C@H](NCc1ccc2c(c1)COC(C)(C)O2)C(C)(C)C ZINC000186384180 1128416133 /nfs/dbraw/zinc/41/61/33/1128416133.db2.gz TWQKHWBUIODHTI-SFHVURJKSA-N 1 3 334.504 3.788 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC001648785852 1120014474 /nfs/dbraw/zinc/01/44/74/1120014474.db2.gz IVNMCCOAHKLHFV-FCHUYYIVSA-N 1 3 343.559 3.720 20 0 EHADHO CN(C)[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000121081156 1120133879 /nfs/dbraw/zinc/13/38/79/1120133879.db2.gz SIYGUGVJRFSJQL-LJQANCHMSA-N 1 3 343.540 3.605 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCSCC1 ZINC000187155376 1120487846 /nfs/dbraw/zinc/48/78/46/1120487846.db2.gz JODQDOYIJITGAA-PKOBYXMFSA-N 1 3 332.557 3.672 20 0 EHADHO Fc1cc([C@H]2OCC[C@H]2[NH2+]CCCN2CCCCC2)ccc1Cl ZINC000192074544 1120711033 /nfs/dbraw/zinc/71/10/33/1120711033.db2.gz XKIZOMBXPTYSNO-QZTJIDSGSA-N 1 3 340.870 3.775 20 0 EHADHO C[C@@H](O)C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305129157 1121257911 /nfs/dbraw/zinc/25/79/11/1121257911.db2.gz JHHBLVFHHVICQP-UYAOXDASSA-N 1 3 344.543 3.928 20 0 EHADHO C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000282111071 1121347538 /nfs/dbraw/zinc/34/75/38/1121347538.db2.gz AFICCHYAHIJWMK-YESZJQIVSA-N 1 3 337.511 3.878 20 0 EHADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873123 1121551763 /nfs/dbraw/zinc/55/17/63/1121551763.db2.gz FZSNVBCMLUOLPW-YJBOKZPZSA-N 1 3 347.503 3.772 20 0 EHADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873123 1121551771 /nfs/dbraw/zinc/55/17/71/1121551771.db2.gz FZSNVBCMLUOLPW-YJBOKZPZSA-N 1 3 347.503 3.772 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000393909430 1121670433 /nfs/dbraw/zinc/67/04/33/1121670433.db2.gz AOIJEKZMUSQAQU-HAGHYFMRSA-N 1 3 330.541 3.630 20 0 EHADHO Cc1c(C[NH2+]C2CCN(C(C)(C)C)CC2)sc2nc(C)nc(C)c12 ZINC000916838110 1122364155 /nfs/dbraw/zinc/36/41/55/1122364155.db2.gz JCINRJHTBTUXGI-UHFFFAOYSA-N 1 3 346.544 3.969 20 0 EHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000126232569 1122396700 /nfs/dbraw/zinc/39/67/00/1122396700.db2.gz VCJCFPUJPDISSR-LLVKDONJSA-N 1 3 329.257 3.581 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)c2ccccc21 ZINC000338791680 1129053132 /nfs/dbraw/zinc/05/31/32/1129053132.db2.gz ZSNDGFDTCIQCRI-GJJHYRHESA-N 1 3 344.499 3.631 20 0 EHADHO COCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556858885 1123155520 /nfs/dbraw/zinc/15/55/20/1123155520.db2.gz OWOYYAINHHHATQ-PWRODBHTSA-N 1 3 330.516 3.693 20 0 EHADHO COCc1ccccc1/C=C(\C)CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000556868151 1123158949 /nfs/dbraw/zinc/15/89/49/1123158949.db2.gz HWVOZESTEHZTPL-KRKAENIYSA-N 1 3 328.500 3.652 20 0 EHADHO COCc1ccccc1/C=C(\C)CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000556868151 1123158952 /nfs/dbraw/zinc/15/89/52/1123158952.db2.gz HWVOZESTEHZTPL-KRKAENIYSA-N 1 3 328.500 3.652 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000134150077 1123494874 /nfs/dbraw/zinc/49/48/74/1123494874.db2.gz PRZGWDZYZMMKRT-UHFFFAOYSA-N 1 3 344.503 3.922 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000134150077 1123494877 /nfs/dbraw/zinc/49/48/77/1123494877.db2.gz PRZGWDZYZMMKRT-UHFFFAOYSA-N 1 3 344.503 3.922 20 0 EHADHO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245755971 1123946320 /nfs/dbraw/zinc/94/63/20/1123946320.db2.gz UVPWOEUUWADQFP-WKCHPHFGSA-N 1 3 336.479 3.980 20 0 EHADHO C[N@@H+]1CCC[C@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953449 1123989380 /nfs/dbraw/zinc/98/93/80/1123989380.db2.gz PYZZUBHUZCNANB-DOTOQJQBSA-N 1 3 342.405 3.544 20 0 EHADHO C[N@H+]1CCC[C@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000245953449 1123989387 /nfs/dbraw/zinc/98/93/87/1123989387.db2.gz PYZZUBHUZCNANB-DOTOQJQBSA-N 1 3 342.405 3.544 20 0 EHADHO C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000421845826 1129178843 /nfs/dbraw/zinc/17/88/43/1129178843.db2.gz YAUJMIROPINPQD-WDSOQIARSA-N 1 3 327.516 3.572 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247946586 1124630680 /nfs/dbraw/zinc/63/06/80/1124630680.db2.gz HTYCQUPTQVAZAU-TXPKVOOTSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247946586 1124630682 /nfs/dbraw/zinc/63/06/82/1124630682.db2.gz HTYCQUPTQVAZAU-TXPKVOOTSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1Cl ZINC000247946586 1124630684 /nfs/dbraw/zinc/63/06/84/1124630684.db2.gz HTYCQUPTQVAZAU-TXPKVOOTSA-N 1 3 337.939 3.795 20 0 EHADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889338 1124713758 /nfs/dbraw/zinc/71/37/58/1124713758.db2.gz RUBIBNJQSCAWBI-SJLPKXTDSA-N 1 3 336.495 3.677 20 0 EHADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248889338 1124713764 /nfs/dbraw/zinc/71/37/64/1124713764.db2.gz RUBIBNJQSCAWBI-SJLPKXTDSA-N 1 3 336.495 3.677 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCCC2)c(F)c1 ZINC000249130658 1124739964 /nfs/dbraw/zinc/73/99/64/1124739964.db2.gz LPBWNAFFINVBMJ-SJORKVTESA-N 1 3 334.454 3.993 20 0 EHADHO Fc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)c(F)c1 ZINC000249130658 1124739968 /nfs/dbraw/zinc/73/99/68/1124739968.db2.gz LPBWNAFFINVBMJ-SJORKVTESA-N 1 3 334.454 3.993 20 0 EHADHO CC(C)c1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937270 1124946275 /nfs/dbraw/zinc/94/62/75/1124946275.db2.gz MQROELFKXVCLJU-QGZVFWFLSA-N 1 3 341.499 3.996 20 0 EHADHO CCCN(Cc1ccc(Br)cc1CC)C[C@H]1CC[NH2+]C1 ZINC001236843395 1125043825 /nfs/dbraw/zinc/04/38/25/1125043825.db2.gz NYZIYHWFWRONFM-AWEZNQCLSA-N 1 3 339.321 3.833 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1CN1CCCCC1 ZINC000182198177 1125209369 /nfs/dbraw/zinc/20/93/69/1125209369.db2.gz QCQXQGXVIQRXIE-QFBILLFUSA-N 1 3 332.488 3.511 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CCOCC2)ccc1OC ZINC000182704518 1125356406 /nfs/dbraw/zinc/35/64/06/1125356406.db2.gz SMYIWBXSOYTTAH-INIZCTEOSA-N 1 3 334.504 3.614 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000657561931 1129431811 /nfs/dbraw/zinc/43/18/11/1129431811.db2.gz DQRMRRMEAVZABP-YZGWKJHDSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752173 1130465587 /nfs/dbraw/zinc/46/55/87/1130465587.db2.gz IBYSZNBDARMTSP-XYPHTWIQSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752173 1130465591 /nfs/dbraw/zinc/46/55/91/1130465591.db2.gz IBYSZNBDARMTSP-XYPHTWIQSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745800 1130468621 /nfs/dbraw/zinc/46/86/21/1130468621.db2.gz GOVIUBNWKNFBQY-ABSDTBQOSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745800 1130468626 /nfs/dbraw/zinc/46/86/26/1130468626.db2.gz GOVIUBNWKNFBQY-ABSDTBQOSA-N 1 3 339.483 3.794 20 0 EHADHO C[NH+](C)CCOC1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000732667025 1130946676 /nfs/dbraw/zinc/94/66/76/1130946676.db2.gz ITFZJBMJIQPRLQ-UHFFFAOYSA-N 1 3 344.471 3.544 20 0 EHADHO Cc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000282666554 1131129236 /nfs/dbraw/zinc/12/92/36/1131129236.db2.gz NFBCWSPDVYPYNA-UHFFFAOYSA-N 1 3 340.515 3.794 20 0 EHADHO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCCCC[NH+](C)C ZINC000742734082 1131781860 /nfs/dbraw/zinc/78/18/60/1131781860.db2.gz IGOAZCXPTWIXEA-UHFFFAOYSA-N 1 3 348.922 3.633 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001172749080 1131831204 /nfs/dbraw/zinc/83/12/04/1131831204.db2.gz IDEKXIOVMGQCBA-MSOLQXFVSA-N 1 3 336.520 3.517 20 0 EHADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172749080 1131831211 /nfs/dbraw/zinc/83/12/11/1131831211.db2.gz IDEKXIOVMGQCBA-MSOLQXFVSA-N 1 3 336.520 3.517 20 0 EHADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001172827752 1131854558 /nfs/dbraw/zinc/85/45/58/1131854558.db2.gz FDNSKVIDYWAHPO-QFIPXVFZSA-N 1 3 349.522 3.749 20 0 EHADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2ncsc2C1 ZINC001173145314 1131983724 /nfs/dbraw/zinc/98/37/24/1131983724.db2.gz KJHKHENJUTUFNH-QGZVFWFLSA-N 1 3 333.545 3.729 20 0 EHADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2ncsc2C1 ZINC001173145314 1131983729 /nfs/dbraw/zinc/98/37/29/1131983729.db2.gz KJHKHENJUTUFNH-QGZVFWFLSA-N 1 3 333.545 3.729 20 0 EHADHO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccnc(C2CC2)c1 ZINC001168999567 1132627263 /nfs/dbraw/zinc/62/72/63/1132627263.db2.gz NTSRDBFGHAKNJJ-UHFFFAOYSA-N 1 3 326.831 3.843 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCCN(C2CCC2)C1 ZINC001169124122 1132664975 /nfs/dbraw/zinc/66/49/75/1132664975.db2.gz MLVIPKUVNJKCGM-BJLQDIEVSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169124122 1132664978 /nfs/dbraw/zinc/66/49/78/1132664978.db2.gz MLVIPKUVNJKCGM-BJLQDIEVSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124122 1132664981 /nfs/dbraw/zinc/66/49/81/1132664981.db2.gz MLVIPKUVNJKCGM-BJLQDIEVSA-N 1 3 334.548 3.968 20 0 EHADHO CCN(Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147769 1132676833 /nfs/dbraw/zinc/67/68/33/1132676833.db2.gz WQEFKIHWWILLOV-BJWYYQGGSA-N 1 3 337.305 3.896 20 0 EHADHO CCN(Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147769 1132676838 /nfs/dbraw/zinc/67/68/38/1132676838.db2.gz WQEFKIHWWILLOV-BJWYYQGGSA-N 1 3 337.305 3.896 20 0 EHADHO COC(=O)c1ccc([C@H]2CCCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160672 1132683369 /nfs/dbraw/zinc/68/33/69/1132683369.db2.gz KFWWOJYOXMZEAS-IYWMVGAKSA-N 1 3 342.483 3.625 20 0 EHADHO COC(=O)c1ccc([C@H]2CCCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160672 1132683373 /nfs/dbraw/zinc/68/33/73/1132683373.db2.gz KFWWOJYOXMZEAS-IYWMVGAKSA-N 1 3 342.483 3.625 20 0 EHADHO COc1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001182072321 1133572152 /nfs/dbraw/zinc/57/21/52/1133572152.db2.gz NBEKGOJFGLVIGY-UHFFFAOYSA-N 1 3 340.467 3.776 20 0 EHADHO CCCCN(CC)[C@H](C(=O)NCCCCC[NH+](C)C)c1ccccc1 ZINC001182234457 1133595472 /nfs/dbraw/zinc/59/54/72/1133595472.db2.gz JXNNKSTZBSUAIO-FQEVSTJZSA-N 1 3 347.547 3.698 20 0 EHADHO CCCCn1nc(C)c(CNCC2CC[NH+](C3CC3)CC2)c1Cl ZINC000775025103 1134227439 /nfs/dbraw/zinc/22/74/39/1134227439.db2.gz SLWAFUWWUKLVIL-UHFFFAOYSA-N 1 3 338.927 3.609 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCCN1CCCC[C@H]1C ZINC001170407962 1134771192 /nfs/dbraw/zinc/77/11/92/1134771192.db2.gz PVXAVPNLIIIRKU-AEFFLSMTSA-N 1 3 332.488 3.591 20 0 EHADHO Cc1ccc(F)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Br ZINC001205638429 1135158971 /nfs/dbraw/zinc/15/89/71/1135158971.db2.gz NVVLSVHVSFPXFW-DGCLKSJQSA-N 1 3 343.284 3.703 20 0 EHADHO CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000716732687 1135180222 /nfs/dbraw/zinc/18/02/22/1135180222.db2.gz QIGBKCMCOPLEAZ-QESAQDPVSA-N 1 3 342.527 3.834 20 0 EHADHO CCC[NH+]1CCC(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809755504 1135886518 /nfs/dbraw/zinc/88/65/18/1135886518.db2.gz RRTJOWCJIFSINC-KRWDZBQOSA-N 1 3 345.314 3.881 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+]C3CCC4(CCC4)CC3)cc2)CC1 ZINC001199276320 1135895932 /nfs/dbraw/zinc/89/59/32/1135895932.db2.gz PZCPPPBPAWXENM-UHFFFAOYSA-N 1 3 341.543 3.637 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000813881856 1136372104 /nfs/dbraw/zinc/37/21/04/1136372104.db2.gz WLARBZXTQVEBBY-FDKRGKGCSA-N 1 3 341.543 3.644 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000854231411 1136600277 /nfs/dbraw/zinc/60/02/77/1136600277.db2.gz HLLPIBUDQCKJEA-KGLIPLIRSA-N 1 3 325.456 3.586 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000815615349 1136618957 /nfs/dbraw/zinc/61/89/57/1136618957.db2.gz NYSXJRPDZOIURF-OXQOHEQNSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000815615349 1136618960 /nfs/dbraw/zinc/61/89/60/1136618960.db2.gz NYSXJRPDZOIURF-OXQOHEQNSA-N 1 3 342.458 3.552 20 0 EHADHO CC(C)(C)c1ccc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817893338 1136843502 /nfs/dbraw/zinc/84/35/02/1136843502.db2.gz DQCMGJHZTCJNIT-IYWMVGAKSA-N 1 3 330.516 3.528 20 0 EHADHO CC(C)(C)c1ccc([C@H](O)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817893343 1136843695 /nfs/dbraw/zinc/84/36/95/1136843695.db2.gz DQCMGJHZTCJNIT-MTQWCTHYSA-N 1 3 330.516 3.528 20 0 EHADHO Cc1cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000817896637 1136843881 /nfs/dbraw/zinc/84/38/81/1136843881.db2.gz MSPUTBUXHHWNQM-HKUYNNGSSA-N 1 3 328.481 3.710 20 0 EHADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857864987 1136915429 /nfs/dbraw/zinc/91/54/29/1136915429.db2.gz JDNQSSWCSLCTJZ-RTBURBONSA-N 1 3 338.499 3.677 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1CN1CCCCC1 ZINC000777120628 1137029115 /nfs/dbraw/zinc/02/91/15/1137029115.db2.gz JUIYPYNSTOKEFH-QGZVFWFLSA-N 1 3 346.515 3.901 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000865624437 1137299555 /nfs/dbraw/zinc/29/95/55/1137299555.db2.gz YECYPPFJSRUFPP-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1c(Cl)cccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000865624437 1137299557 /nfs/dbraw/zinc/29/95/57/1137299557.db2.gz YECYPPFJSRUFPP-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716629475 1137488041 /nfs/dbraw/zinc/48/80/41/1137488041.db2.gz YZLPSCPACALVTR-YKWDRNOUSA-N 1 3 335.495 3.655 20 0 EHADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171967490 1137520802 /nfs/dbraw/zinc/52/08/02/1137520802.db2.gz ANGJQABVFMCXHQ-UXHICEINSA-N 1 3 329.532 3.502 20 0 EHADHO CC1(C)C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CCN1Cc1ccccc1 ZINC001171988867 1137522685 /nfs/dbraw/zinc/52/26/85/1137522685.db2.gz WVCSTRRCOGTUPW-MSOLQXFVSA-N 1 3 348.531 3.959 20 0 EHADHO CC1(C)C[C@@H](NCCc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC001171981271 1137526576 /nfs/dbraw/zinc/52/65/76/1137526576.db2.gz BXGZQKNMJQVYRR-KRWDZBQOSA-N 1 3 329.513 3.718 20 0 EHADHO CC1(C)C[C@@H](NCCc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001171981271 1137526578 /nfs/dbraw/zinc/52/65/78/1137526578.db2.gz BXGZQKNMJQVYRR-KRWDZBQOSA-N 1 3 329.513 3.718 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001172133271 1137535975 /nfs/dbraw/zinc/53/59/75/1137535975.db2.gz QTZYIMPDCCIQCR-BCDXTJNWSA-N 1 3 344.474 3.736 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001172133271 1137535977 /nfs/dbraw/zinc/53/59/77/1137535977.db2.gz QTZYIMPDCCIQCR-BCDXTJNWSA-N 1 3 344.474 3.736 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC001172245922 1137544481 /nfs/dbraw/zinc/54/44/81/1137544481.db2.gz COESQIHBYGYZEU-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172333650 1137551288 /nfs/dbraw/zinc/55/12/88/1137551288.db2.gz KFJQDWAJHIZFMF-IRXDYDNUSA-N 1 3 336.495 3.755 20 0 EHADHO C[C@@H](NCc1cc(C(F)(F)F)cc(Cl)n1)C1CC[NH+](C)CC1 ZINC000872116572 1137572349 /nfs/dbraw/zinc/57/23/49/1137572349.db2.gz MSRJMBBCDGGXSF-SNVBAGLBSA-N 1 3 335.801 3.574 20 0 EHADHO Fc1cccc2c(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001137057687 1137575398 /nfs/dbraw/zinc/57/53/98/1137575398.db2.gz MBJQNGKUFQZEOI-OALUTQOASA-N 1 3 349.453 3.871 20 0 EHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644536 /nfs/dbraw/zinc/64/45/36/1137644536.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 1 3 338.499 3.711 20 0 EHADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644537 /nfs/dbraw/zinc/64/45/37/1137644537.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 1 3 338.499 3.711 20 0 EHADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644538 /nfs/dbraw/zinc/64/45/38/1137644538.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 1 3 338.499 3.711 20 0 EHADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccccc1-n1cccn1 ZINC001137101008 1137644539 /nfs/dbraw/zinc/64/45/39/1137644539.db2.gz WYWQXLVVMDJQJV-PMACEKPBSA-N 1 3 338.499 3.711 20 0 EHADHO Clc1ccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000877697647 1137686211 /nfs/dbraw/zinc/68/62/11/1137686211.db2.gz QGJXQJUNWALOIU-UHFFFAOYSA-N 1 3 344.890 3.522 20 0 EHADHO C=C/C=C/CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018731 1137735410 /nfs/dbraw/zinc/73/54/10/1137735410.db2.gz IAGSTNXEBDSWSU-YJJPMGAVSA-N 1 3 329.488 3.507 20 0 EHADHO C=C/C=C/CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018731 1137735411 /nfs/dbraw/zinc/73/54/11/1137735411.db2.gz IAGSTNXEBDSWSU-YJJPMGAVSA-N 1 3 329.488 3.507 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3oc(=O)oc3c2)cc1 ZINC000882880950 1137836539 /nfs/dbraw/zinc/83/65/39/1137836539.db2.gz QHKORSBPUVBGDS-UHFFFAOYSA-N 1 3 340.423 3.518 20 0 EHADHO C[NH+](C)CCC1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135120332 1137963854 /nfs/dbraw/zinc/96/38/54/1137963854.db2.gz XMQDYZJGUXSNTC-QGZVFWFLSA-N 1 3 345.314 3.691 20 0 EHADHO c1ccc([C@@H]2CCC[C@H](CN3CCCC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876121 1138163115 /nfs/dbraw/zinc/16/31/15/1138163115.db2.gz JNBPNKMBHPWKLI-QHAWAJNXSA-N 1 3 328.500 3.762 20 0 EHADHO c1cc2cccc(CNC3CC[NH+](CCc4ccccc4)CC3)c2[nH]1 ZINC000263835215 1138377578 /nfs/dbraw/zinc/37/75/78/1138377578.db2.gz BRKCXOXEVFMKEO-UHFFFAOYSA-N 1 3 333.479 3.965 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccc(Cl)c1Cl ZINC000128266181 1138384412 /nfs/dbraw/zinc/38/44/12/1138384412.db2.gz XAIVFWMNPMTLOS-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cccc(Cl)c1Cl ZINC000128266181 1138384416 /nfs/dbraw/zinc/38/44/16/1138384416.db2.gz XAIVFWMNPMTLOS-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO COc1cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1OC(F)F ZINC000132121080 1138563336 /nfs/dbraw/zinc/56/33/36/1138563336.db2.gz OKGZCCNZXGPTNI-LBPRGKRZSA-N 1 3 330.419 3.535 20 0 EHADHO CC(C)Oc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951791 1139388321 /nfs/dbraw/zinc/38/83/21/1139388321.db2.gz BBXCDOWQRGXWEZ-UHFFFAOYSA-N 1 3 346.515 3.551 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000183125110 1140014404 /nfs/dbraw/zinc/01/44/04/1140014404.db2.gz UKYFTXAHOJTORY-NNWRFLSQSA-N 1 3 335.495 3.514 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000192689881 1140544212 /nfs/dbraw/zinc/54/42/12/1140544212.db2.gz NDUJJFAVRGKQOH-NRFANRHFSA-N 1 3 339.483 3.664 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000268714142 1140975351 /nfs/dbraw/zinc/97/53/51/1140975351.db2.gz FZGHJUUFLXYPNV-QGZVFWFLSA-N 1 3 346.519 3.743 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)CCN1Cc1ccccc1 ZINC000268731658 1140978504 /nfs/dbraw/zinc/97/85/04/1140978504.db2.gz UGLQERDBYIAOEL-RLLQIKCJSA-N 1 3 341.499 3.525 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000268764223 1140986074 /nfs/dbraw/zinc/98/60/74/1140986074.db2.gz IPCJRXOVHAJXFR-VQTJNVASSA-N 1 3 347.934 3.521 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000268764223 1140986079 /nfs/dbraw/zinc/98/60/79/1140986079.db2.gz IPCJRXOVHAJXFR-VQTJNVASSA-N 1 3 347.934 3.521 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789499 1140992280 /nfs/dbraw/zinc/99/22/80/1140992280.db2.gz TXQYFGWXGCHFIL-ZIAGYGMSSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000269038446 1141052292 /nfs/dbraw/zinc/05/22/92/1141052292.db2.gz SXGXIJOISYKFKM-AWEZNQCLSA-N 1 3 349.906 3.664 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000269053160 1141056268 /nfs/dbraw/zinc/05/62/68/1141056268.db2.gz IPQSCMHDAMRKLA-KFKAGJAMSA-N 1 3 346.519 3.740 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000283252835 1141579611 /nfs/dbraw/zinc/57/96/11/1141579611.db2.gz KCBFFRIBSPZNGZ-GHTZIAJQSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000283252835 1141579614 /nfs/dbraw/zinc/57/96/14/1141579614.db2.gz KCBFFRIBSPZNGZ-GHTZIAJQSA-N 1 3 347.522 3.625 20 0 EHADHO Cc1cc(C)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953758 722012892 /nfs/dbraw/zinc/01/28/92/722012892.db2.gz GLRHUDFYDBSMIA-UHFFFAOYSA-N 1 3 336.483 3.586 20 0 EHADHO Cc1cc(C)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953758 722012893 /nfs/dbraw/zinc/01/28/93/722012893.db2.gz GLRHUDFYDBSMIA-UHFFFAOYSA-N 1 3 336.483 3.586 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000153408940 1125483162 /nfs/dbraw/zinc/48/31/62/1125483162.db2.gz RLAZUCUBVYMPSU-KZNAEPCWSA-N 1 3 335.561 3.593 20 0 EHADHO CC1CCN([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000153408940 1125483163 /nfs/dbraw/zinc/48/31/63/1125483163.db2.gz RLAZUCUBVYMPSU-KZNAEPCWSA-N 1 3 335.561 3.593 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378169 1026841047 /nfs/dbraw/zinc/84/10/47/1026841047.db2.gz DDHFJWMIGGFMRL-XJKSGUPXSA-N 1 3 325.294 3.754 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378169 1026841054 /nfs/dbraw/zinc/84/10/54/1026841054.db2.gz DDHFJWMIGGFMRL-XJKSGUPXSA-N 1 3 325.294 3.754 20 0 EHADHO C[C@@H](NCc1ccc2cnn(C)c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579779399 1014463308 /nfs/dbraw/zinc/46/33/08/1014463308.db2.gz XASHQXHTCQNRFP-UTKZUKDTSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H](NCc1ccc2cnn(C)c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579779399 1014463314 /nfs/dbraw/zinc/46/33/14/1014463314.db2.gz XASHQXHTCQNRFP-UTKZUKDTSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000579779399 1014463321 /nfs/dbraw/zinc/46/33/21/1014463321.db2.gz XASHQXHTCQNRFP-UTKZUKDTSA-N 1 3 348.494 3.574 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000076443405 1016349084 /nfs/dbraw/zinc/34/90/84/1016349084.db2.gz AMWXBOVHVUHJCF-UYAOXDASSA-N 1 3 338.495 3.910 20 0 EHADHO COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000536830528 1032309748 /nfs/dbraw/zinc/30/97/48/1032309748.db2.gz DHVFIUUKTJKYPY-KXBFYZLASA-N 1 3 334.504 3.624 20 0 EHADHO C[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1nccs1 ZINC000449234523 1032351530 /nfs/dbraw/zinc/35/15/30/1032351530.db2.gz CHWJCDMIVLZLFW-SJORKVTESA-N 1 3 343.540 3.932 20 0 EHADHO Cc1cccc(CC[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000536858381 1032357412 /nfs/dbraw/zinc/35/74/12/1032357412.db2.gz OWNUAFZPBXOTFX-SLFFLAALSA-N 1 3 332.532 3.795 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)o1 ZINC000536883831 1032389417 /nfs/dbraw/zinc/38/94/17/1032389417.db2.gz YMRJJBWXWXBPIX-LJQANCHMSA-N 1 3 341.499 3.841 20 0 EHADHO CSC1(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH+](C)CC1 ZINC000449340474 1032453155 /nfs/dbraw/zinc/45/31/55/1032453155.db2.gz WIASGJFXBZRUSS-ZDUSSCGKSA-N 1 3 344.446 3.508 20 0 EHADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1COc2ccccc21 ZINC000090845372 1032602203 /nfs/dbraw/zinc/60/22/03/1032602203.db2.gz HAROGUDBQMWTDG-JXFKEZNVSA-N 1 3 328.500 3.938 20 0 EHADHO CCC[NH+]1CCC(NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000121746441 1032627668 /nfs/dbraw/zinc/62/76/68/1032627668.db2.gz MCSASVRBBHMNHP-LJQANCHMSA-N 1 3 349.588 3.985 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449484171 1032636820 /nfs/dbraw/zinc/63/68/20/1032636820.db2.gz LKBKZSSIADOREY-YLJYHZDGSA-N 1 3 329.532 3.955 20 0 EHADHO Cc1ccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000091399166 1032692810 /nfs/dbraw/zinc/69/28/10/1032692810.db2.gz QPIVTJCCCQYQPN-FSSWDIPSSA-N 1 3 342.527 3.804 20 0 EHADHO Clc1cccc(OCCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415074693 1017503902 /nfs/dbraw/zinc/50/39/02/1017503902.db2.gz APKFAQDFDGCRPX-PKOBYXMFSA-N 1 3 330.859 3.802 20 0 EHADHO Brc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000415080026 1017520780 /nfs/dbraw/zinc/52/07/80/1017520780.db2.gz JABXQXMLYLDTRR-GUYCJALGSA-N 1 3 337.305 3.880 20 0 EHADHO CC[C@H](CN[C@H]1CCC[NH2+]CC1)Oc1ccccc1C(F)(F)F ZINC000415127215 1017578326 /nfs/dbraw/zinc/57/83/26/1017578326.db2.gz VNVAQRKFHCWTQP-UONOGXRCSA-N 1 3 330.394 3.595 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCN1Cc1ccccc1 ZINC000530953018 1017689943 /nfs/dbraw/zinc/68/99/43/1017689943.db2.gz UQUZIHYDCZTVSU-APWZRJJASA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)CCN1Cc1ccccc1 ZINC000530953018 1017689950 /nfs/dbraw/zinc/68/99/50/1017689950.db2.gz UQUZIHYDCZTVSU-APWZRJJASA-N 1 3 334.467 3.706 20 0 EHADHO CCC[N@H+](CC[C@H]1CCCN1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167331852 1018203426 /nfs/dbraw/zinc/20/34/26/1018203426.db2.gz BIAIOASEZLTZPV-YADHBBJMSA-N 1 3 343.559 3.847 20 0 EHADHO CCC[N@@H+](CC[C@H]1CCCN1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167331852 1018203444 /nfs/dbraw/zinc/20/34/44/1018203444.db2.gz BIAIOASEZLTZPV-YADHBBJMSA-N 1 3 343.559 3.847 20 0 EHADHO c1c2ccccc2oc1[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000580182214 1018748620 /nfs/dbraw/zinc/74/86/20/1018748620.db2.gz WQRRPTKUXXCSKO-KKSFZXQISA-N 1 3 335.451 3.897 20 0 EHADHO c1c2ccccc2oc1[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000580182211 1018749434 /nfs/dbraw/zinc/74/94/34/1018749434.db2.gz WQRRPTKUXXCSKO-HRAATJIYSA-N 1 3 335.451 3.897 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000449560050 1032807324 /nfs/dbraw/zinc/80/73/24/1032807324.db2.gz FISOWOGMEGCXTA-MIJOPJBOSA-N 1 3 343.515 3.742 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449560050 1032807346 /nfs/dbraw/zinc/80/73/46/1032807346.db2.gz FISOWOGMEGCXTA-MIJOPJBOSA-N 1 3 343.515 3.742 20 0 EHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513223441 1019438959 /nfs/dbraw/zinc/43/89/59/1019438959.db2.gz MGJRQHCBQWMJBL-LZJOCLMNSA-N 1 3 330.516 3.956 20 0 EHADHO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000433630147 1019469488 /nfs/dbraw/zinc/46/94/88/1019469488.db2.gz DGQYUPYISPVFJZ-ZGJYDULXSA-N 1 3 342.527 3.548 20 0 EHADHO COc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001204735169 1019756469 /nfs/dbraw/zinc/75/64/69/1019756469.db2.gz MPONGFFFQPIQJD-UHFFFAOYSA-N 1 3 342.405 3.680 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000500995104 1020648162 /nfs/dbraw/zinc/64/81/62/1020648162.db2.gz VCSGYTDJYFQHQH-QFIPXVFZSA-N 1 3 343.559 3.924 20 0 EHADHO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000516939586 1021874220 /nfs/dbraw/zinc/87/42/20/1021874220.db2.gz GTBMCFFHDCRZAZ-GOSISDBHSA-N 1 3 349.538 3.543 20 0 EHADHO Fc1ccc(CCCCNCc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000425894799 1022122120 /nfs/dbraw/zinc/12/21/20/1022122120.db2.gz HJNLTRJPRWUENA-UHFFFAOYSA-N 1 3 349.425 3.532 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441402300 1022217697 /nfs/dbraw/zinc/21/76/97/1022217697.db2.gz HGVHKMJWTIJGOP-AZUAARDMSA-N 1 3 328.500 3.631 20 0 EHADHO Cc1ccc(C)c(OCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441402300 1022217702 /nfs/dbraw/zinc/21/77/02/1022217702.db2.gz HGVHKMJWTIJGOP-AZUAARDMSA-N 1 3 328.500 3.631 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(Oc3ccccn3)c1)C2 ZINC000894417062 1022242241 /nfs/dbraw/zinc/24/22/41/1022242241.db2.gz GXUIBCRPRZBSIK-DFNIBXOVSA-N 1 3 337.467 3.931 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(Oc3ccccn3)c1)C2 ZINC000894417062 1022242254 /nfs/dbraw/zinc/24/22/54/1022242254.db2.gz GXUIBCRPRZBSIK-DFNIBXOVSA-N 1 3 337.467 3.931 20 0 EHADHO C[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)CN(C)C ZINC000425931408 1022260227 /nfs/dbraw/zinc/26/02/27/1022260227.db2.gz LMUZSKOCBSSLQH-HNAYVOBHSA-N 1 3 331.891 3.806 20 0 EHADHO CC1(C)C[C@H](C2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)CCO1 ZINC001167981983 1022787686 /nfs/dbraw/zinc/78/76/86/1022787686.db2.gz RQUGOTFWOMYIEK-MVCQKVDPSA-N 1 3 332.532 3.719 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2NCCc3ccccc32)CC1 ZINC000414955855 1023016278 /nfs/dbraw/zinc/01/62/78/1023016278.db2.gz NTCSTVMLIUDDSS-ZPMCFJSWSA-N 1 3 341.543 3.506 20 0 EHADHO CCCN(Cc1ccc(OCc2ccccn2)cc1)C1CC[NH2+]CC1 ZINC000431087543 1023239493 /nfs/dbraw/zinc/23/94/93/1023239493.db2.gz QORRTTMAPTYWAP-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCNCC1 ZINC000431087543 1023239498 /nfs/dbraw/zinc/23/94/98/1023239498.db2.gz QORRTTMAPTYWAP-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCNCC1 ZINC000431087543 1023239505 /nfs/dbraw/zinc/23/95/05/1023239505.db2.gz QORRTTMAPTYWAP-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CC(C)(C)OC(=O)C[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003207 1024103948 /nfs/dbraw/zinc/10/39/48/1024103948.db2.gz KAFQHXLGHBRZTI-HTUJPFKRSA-N 1 3 348.531 3.588 20 0 EHADHO CC(C)(C)OC(=O)C[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003207 1024103957 /nfs/dbraw/zinc/10/39/57/1024103957.db2.gz KAFQHXLGHBRZTI-HTUJPFKRSA-N 1 3 348.531 3.588 20 0 EHADHO CCOC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(C)C ZINC000474096548 1024153276 /nfs/dbraw/zinc/15/32/76/1024153276.db2.gz NALNCTSBWBKPEH-BQJUDKOJSA-N 1 3 330.516 3.548 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443616140 1024239243 /nfs/dbraw/zinc/23/92/43/1024239243.db2.gz LSNNHCYLUJGOOC-HNAYVOBHSA-N 1 3 336.907 3.760 20 0 EHADHO C[C@H]1C[C@@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000472035869 1024425853 /nfs/dbraw/zinc/42/58/53/1024425853.db2.gz BCLXOXVCDAUFGI-FUHWJXTLSA-N 1 3 342.458 3.922 20 0 EHADHO C[C@H]1C[C@@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472035869 1024425857 /nfs/dbraw/zinc/42/58/57/1024425857.db2.gz BCLXOXVCDAUFGI-FUHWJXTLSA-N 1 3 342.458 3.922 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c1C ZINC000414854529 1024439877 /nfs/dbraw/zinc/43/98/77/1024439877.db2.gz VDENIPADOVJKIV-HNAYVOBHSA-N 1 3 331.504 3.518 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2csc3ccccc23)C[C@@H](C)O1 ZINC000067452769 1024571791 /nfs/dbraw/zinc/57/17/91/1024571791.db2.gz IYQMWVRPXPVABE-HZPDHXFCSA-N 1 3 332.513 3.880 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000665232748 1024689739 /nfs/dbraw/zinc/68/97/39/1024689739.db2.gz SQYSQYLYOICZGB-KSEOMHKRSA-N 1 3 335.495 3.659 20 0 EHADHO Nc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000665232748 1024689746 /nfs/dbraw/zinc/68/97/46/1024689746.db2.gz SQYSQYLYOICZGB-KSEOMHKRSA-N 1 3 335.495 3.659 20 0 EHADHO Cc1cc([C@@H](NCC2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000346561123 1024863777 /nfs/dbraw/zinc/86/37/77/1024863777.db2.gz NPZPLZNNJIBNSY-HXUWFJFHSA-N 1 3 327.447 3.550 20 0 EHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000474482696 1025038424 /nfs/dbraw/zinc/03/84/24/1025038424.db2.gz OEFYUKHTKUMLLB-ZWKOTPCHSA-N 1 3 348.531 3.907 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1C(C)(C)C ZINC000442881426 1025562427 /nfs/dbraw/zinc/56/24/27/1025562427.db2.gz ZJTJRVVTAXTEIC-QGZVFWFLSA-N 1 3 331.548 3.661 20 0 EHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1C(C)(C)C ZINC000442881423 1025563797 /nfs/dbraw/zinc/56/37/97/1025563797.db2.gz ZJTJRVVTAXTEIC-KRWDZBQOSA-N 1 3 331.548 3.661 20 0 EHADHO CCCOc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1OCC ZINC000347179294 1025622146 /nfs/dbraw/zinc/62/21/46/1025622146.db2.gz UAGXHGGWMOPYHA-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1 ZINC000347229243 1025696300 /nfs/dbraw/zinc/69/63/00/1025696300.db2.gz KPMRKFRJCQTKTH-ZACQAIPSSA-N 1 3 331.504 3.728 20 0 EHADHO Cc1ccccc1[C@@H]([C@H](C)NC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000443204903 1025812357 /nfs/dbraw/zinc/81/23/57/1025812357.db2.gz QVOYPRRBZOBAGK-FXAWDEMLSA-N 1 3 331.548 3.839 20 0 EHADHO c1ccc(CC[NH+]2CCC(Nc3ccnc4ccccc43)CC2)cc1 ZINC000521951494 1025818686 /nfs/dbraw/zinc/81/86/86/1025818686.db2.gz DQGIXYTZUUSVQR-UHFFFAOYSA-N 1 3 331.463 3.776 20 0 EHADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000121833353 1025902208 /nfs/dbraw/zinc/90/22/08/1025902208.db2.gz MZAVYIOCPVCMGK-FUHWJXTLSA-N 1 3 326.488 3.563 20 0 EHADHO CCN1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000037644382 1026027704 /nfs/dbraw/zinc/02/77/04/1026027704.db2.gz NUCXYVBBWDKNAT-KTAKPFMOSA-N 1 3 337.305 3.627 20 0 EHADHO CSc1ccccc1C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000511117930 1026181257 /nfs/dbraw/zinc/18/12/57/1026181257.db2.gz ZYKRBLZCMVWZEJ-IAGOWNOFSA-N 1 3 348.556 3.730 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000531416710 1026911103 /nfs/dbraw/zinc/91/11/03/1026911103.db2.gz CCHUVAMTLLQLIX-CEXWTWQISA-N 1 3 330.516 3.959 20 0 EHADHO CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)c1cccc(O)c1 ZINC000420299131 1027449593 /nfs/dbraw/zinc/44/95/93/1027449593.db2.gz GJDHLMTXQYPPIV-QAPCUYQASA-N 1 3 328.456 3.526 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc(C)s2)cc1 ZINC000420300803 1027451232 /nfs/dbraw/zinc/45/12/32/1027451232.db2.gz KQEFGTRAZNDJKE-SJLPKXTDSA-N 1 3 330.497 3.945 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccc(C)s2)cc1 ZINC000420300803 1027451242 /nfs/dbraw/zinc/45/12/42/1027451242.db2.gz KQEFGTRAZNDJKE-SJLPKXTDSA-N 1 3 330.497 3.945 20 0 EHADHO Clc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000420340000 1027472384 /nfs/dbraw/zinc/47/23/84/1027472384.db2.gz MIOJDACNTUWHCU-HOTGVXAUSA-N 1 3 345.874 3.817 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398483 1027514075 /nfs/dbraw/zinc/51/40/75/1027514075.db2.gz YVKADMTZPNGNHI-ATZDWAIDSA-N 1 3 338.442 3.634 20 0 EHADHO Brc1cccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000212271640 1027562751 /nfs/dbraw/zinc/56/27/51/1027562751.db2.gz ZLKWODCAHFFQFG-AWEZNQCLSA-N 1 3 337.305 3.628 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595820 1027571833 /nfs/dbraw/zinc/57/18/33/1027571833.db2.gz KMYIRHUVFQZBQW-FOIQADDNSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000657595820 1027571837 /nfs/dbraw/zinc/57/18/37/1027571837.db2.gz KMYIRHUVFQZBQW-FOIQADDNSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@@H](C)O1 ZINC000459324995 1027612704 /nfs/dbraw/zinc/61/27/04/1027612704.db2.gz LQJAUFHXRWXYRW-HZPDHXFCSA-N 1 3 344.490 3.633 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000422741517 1027908589 /nfs/dbraw/zinc/90/85/89/1027908589.db2.gz OQOAPDPPGFHLOZ-DZHLUBAWSA-N 1 3 343.334 3.947 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000422745545 1027914439 /nfs/dbraw/zinc/91/44/39/1027914439.db2.gz XZNUJHYKEMRNRK-GFCCVEGCSA-N 1 3 337.389 3.761 20 0 EHADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000422750757 1027916698 /nfs/dbraw/zinc/91/66/98/1027916698.db2.gz BLDDGMYXLSHIDC-BJJXKVORSA-N 1 3 325.294 3.878 20 0 EHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422777428 1027934176 /nfs/dbraw/zinc/93/41/76/1027934176.db2.gz FVZVFXWDAGFETG-CJNGLKHVSA-N 1 3 337.305 3.588 20 0 EHADHO CC[C@@H](c1ccc(F)cc1)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420984120 1027943098 /nfs/dbraw/zinc/94/30/98/1027943098.db2.gz SKTGJYAKZXUKJF-NRFANRHFSA-N 1 3 347.522 3.769 20 0 EHADHO CC[C@@H](c1ccc(F)cc1)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420984120 1027943118 /nfs/dbraw/zinc/94/31/18/1027943118.db2.gz SKTGJYAKZXUKJF-NRFANRHFSA-N 1 3 347.522 3.769 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000422807368 1027957655 /nfs/dbraw/zinc/95/76/55/1027957655.db2.gz MMQAETACTMFNJO-YWZLYKJASA-N 1 3 329.463 3.906 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422847659 1027986994 /nfs/dbraw/zinc/98/69/94/1027986994.db2.gz IQMXRYCDPRLADX-FPMFFAJLSA-N 1 3 329.410 3.868 20 0 EHADHO CC1CCN([C@H](C[NH2+]C2CCN(C3CC3)CC2)c2cccs2)CC1 ZINC000459363897 1027990700 /nfs/dbraw/zinc/99/07/00/1027990700.db2.gz ITZNFNYMDGPSHI-LJQANCHMSA-N 1 3 347.572 3.738 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnccc1N ZINC000422883543 1028020014 /nfs/dbraw/zinc/02/00/14/1028020014.db2.gz QSAOQVPSSFRYKQ-DLBZAZTESA-N 1 3 338.499 3.719 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnccc1N ZINC000422883543 1028020033 /nfs/dbraw/zinc/02/00/33/1028020033.db2.gz QSAOQVPSSFRYKQ-DLBZAZTESA-N 1 3 338.499 3.719 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000422904213 1028038358 /nfs/dbraw/zinc/03/83/58/1028038358.db2.gz PXEFZAOMJFRFHN-QAPCUYQASA-N 1 3 329.419 3.620 20 0 EHADHO CC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1ccccc1C ZINC000422920416 1028077633 /nfs/dbraw/zinc/07/76/33/1028077633.db2.gz MTEIWTJLJUUPAL-CRAIPNDOSA-N 1 3 327.472 3.665 20 0 EHADHO [NH3+][C@@H]1C[C@@H](Nc2cccc(CN3CCSCC3)c2)c2ccccc21 ZINC000422955795 1028093841 /nfs/dbraw/zinc/09/38/41/1028093841.db2.gz NLKOSCRUQFLRKN-WOJBJXKFSA-N 1 3 339.508 3.792 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000422990539 1028100954 /nfs/dbraw/zinc/10/09/54/1028100954.db2.gz NPBGRAKZFHFLFA-ZLGUVYLKSA-N 1 3 339.483 3.637 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423047339 1028133235 /nfs/dbraw/zinc/13/32/35/1028133235.db2.gz GEOOIRWOLXDLSV-AMJWSMQMSA-N 1 3 329.257 3.755 20 0 EHADHO CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423026549 1028135323 /nfs/dbraw/zinc/13/53/23/1028135323.db2.gz QGJQUIPIKDQVEL-DXBBTUNJSA-N 1 3 342.527 3.934 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(C2CC2)cc1 ZINC000423077853 1028165300 /nfs/dbraw/zinc/16/53/00/1028165300.db2.gz MZTFDGDAFQPECZ-UNMCSNQZSA-N 1 3 334.463 3.910 20 0 EHADHO Cc1cccc(OCCC[NH2+][C@H](C)c2ccc(CN)nc2C)c1C ZINC000423086657 1028174918 /nfs/dbraw/zinc/17/49/18/1028174918.db2.gz MKIRDGYRVXIKKZ-MRXNPFEDSA-N 1 3 327.472 3.585 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000246298263 1028178472 /nfs/dbraw/zinc/17/84/72/1028178472.db2.gz CWROBDVIWZEKMY-IPMKNSEASA-N 1 3 346.540 3.581 20 0 EHADHO NC1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCCCC1 ZINC000423185016 1028232020 /nfs/dbraw/zinc/23/20/20/1028232020.db2.gz UMCQLTNYFQWHSB-ROUUACIJSA-N 1 3 336.907 3.681 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000503942539 1028244246 /nfs/dbraw/zinc/24/42/46/1028244246.db2.gz ROTGEKXVNFOIJU-PQEBFOHHSA-N 1 3 330.463 3.779 20 0 EHADHO C[C@H](Cc1cn(C)c2ccc(F)cc12)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423175817 1028246098 /nfs/dbraw/zinc/24/60/98/1028246098.db2.gz FGCQFLSQYWSVIK-CAYVGHNUSA-N 1 3 337.442 3.983 20 0 EHADHO C[C@H](NC[C@H]1CCC[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423219424 1028285749 /nfs/dbraw/zinc/28/57/49/1028285749.db2.gz WQAJDSHGWXRYKE-AVGNSLFASA-N 1 3 331.287 3.738 20 0 EHADHO Cc1nccn1CCCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295243 /nfs/dbraw/zinc/29/52/43/1028295243.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 1 3 340.515 3.568 20 0 EHADHO Cc1nccn1CCCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246371814 1028295259 /nfs/dbraw/zinc/29/52/59/1028295259.db2.gz YOWQUQYWFDGCLE-LJQANCHMSA-N 1 3 340.515 3.568 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](CN)C2CCCCC2)cc1 ZINC000423259745 1028319526 /nfs/dbraw/zinc/31/95/26/1028319526.db2.gz FSRLDYXQJJJWPE-FOIQADDNSA-N 1 3 326.488 3.739 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423259745 1028319544 /nfs/dbraw/zinc/31/95/44/1028319544.db2.gz FSRLDYXQJJJWPE-FOIQADDNSA-N 1 3 326.488 3.739 20 0 EHADHO C[NH+](C)C1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000421367522 1028322505 /nfs/dbraw/zinc/32/25/05/1028322505.db2.gz DZPSIGVLGXHRKJ-UHFFFAOYSA-N 1 3 347.247 3.690 20 0 EHADHO COc1ccc(C[C@H]([NH2+]C[C@H](N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270676 1028334931 /nfs/dbraw/zinc/33/49/31/1028334931.db2.gz IJMLUTJTZQWUJS-SFTDATJTSA-N 1 3 342.483 3.561 20 0 EHADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423307815 1028344697 /nfs/dbraw/zinc/34/46/97/1028344697.db2.gz NUQMNWOBYYGWKG-DTWKUNHWSA-N 1 3 339.199 3.713 20 0 EHADHO CCN(CC)[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccsc1 ZINC000423342466 1028376673 /nfs/dbraw/zinc/37/66/73/1028376673.db2.gz YSIDYYVWSRLULY-RDTXWAMCSA-N 1 3 345.512 3.581 20 0 EHADHO C[C@@H]([NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@H](C)N ZINC000423465795 1028453041 /nfs/dbraw/zinc/45/30/41/1028453041.db2.gz NDFLVGFWCNSUBO-FEUHOPSXSA-N 1 3 336.277 3.633 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423474508 1028457411 /nfs/dbraw/zinc/45/74/11/1028457411.db2.gz PDMNPNSXQBLYIK-NRXGSXMXSA-N 1 3 331.410 3.556 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000247159289 1028752111 /nfs/dbraw/zinc/75/21/11/1028752111.db2.gz XTHMXQYXLVJDRR-QLFBSQMISA-N 1 3 326.431 3.505 20 0 EHADHO Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(C)n1 ZINC000421856491 1028849394 /nfs/dbraw/zinc/84/93/94/1028849394.db2.gz OBHGGKCAOJKZTE-KOUNCHBCSA-N 1 3 335.495 3.984 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000162530766 1028931391 /nfs/dbraw/zinc/93/13/91/1028931391.db2.gz OIPQDGHFNVWHPZ-FQEVSTJZSA-N 1 3 328.431 3.543 20 0 EHADHO C[C@H]1CC2(CN1Cc1cc(F)cc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424368592 1029031313 /nfs/dbraw/zinc/03/13/13/1029031313.db2.gz AQEZBKWMNDWSBF-LBPRGKRZSA-N 1 3 330.369 3.809 20 0 EHADHO CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OCC ZINC000414816309 1029350707 /nfs/dbraw/zinc/35/07/07/1029350707.db2.gz ZXARCQUMBSUHSN-OAHLLOKOSA-N 1 3 328.456 3.794 20 0 EHADHO CN(C)Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000155643868 1029608926 /nfs/dbraw/zinc/60/89/26/1029608926.db2.gz BYJDPJZYSRTMNP-UHFFFAOYSA-N 1 3 337.467 3.596 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374974 1029776742 /nfs/dbraw/zinc/77/67/42/1029776742.db2.gz XQIHKVPDSXQYPB-KGLIPLIRSA-N 1 3 344.421 3.935 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374974 1029776746 /nfs/dbraw/zinc/77/67/46/1029776746.db2.gz XQIHKVPDSXQYPB-KGLIPLIRSA-N 1 3 344.421 3.935 20 0 EHADHO C[C@@H]1CCCN(Cc2ccc(OCc3ccncc3)cc2)[C@H]1CC[NH3+] ZINC000650711385 1030061416 /nfs/dbraw/zinc/06/14/16/1030061416.db2.gz RVCNTIYXWBOYMU-UTKZUKDTSA-N 1 3 339.483 3.610 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453374791 1030192799 /nfs/dbraw/zinc/19/27/99/1030192799.db2.gz UDZVPUMTMITQKK-MOPGFXCFSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(F)c(CC2CCN([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000453374791 1030192810 /nfs/dbraw/zinc/19/28/10/1030192810.db2.gz UDZVPUMTMITQKK-MOPGFXCFSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ncc(-c2ccccc2)n1C ZINC000453409429 1030220857 /nfs/dbraw/zinc/22/08/57/1030220857.db2.gz UDGNVHMZTYBOKM-MRXNPFEDSA-N 1 3 326.488 3.612 20 0 EHADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ncc(-c2ccccc2)n1C ZINC000453409429 1030220871 /nfs/dbraw/zinc/22/08/71/1030220871.db2.gz UDGNVHMZTYBOKM-MRXNPFEDSA-N 1 3 326.488 3.612 20 0 EHADHO Cc1ccncc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657773838 1030264454 /nfs/dbraw/zinc/26/44/54/1030264454.db2.gz UOTOZFKXHNVLQW-NRFANRHFSA-N 1 3 335.495 3.782 20 0 EHADHO Cc1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000527538242 1030995318 /nfs/dbraw/zinc/99/53/18/1030995318.db2.gz IMXBXOFKJCMZND-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000527538242 1030995330 /nfs/dbraw/zinc/99/53/30/1030995330.db2.gz IMXBXOFKJCMZND-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000484310091 1031529468 /nfs/dbraw/zinc/52/94/68/1031529468.db2.gz PDBBVWZHAGZMKG-SJLPKXTDSA-N 1 3 330.472 3.954 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@H](N(C)C)C(F)(F)F)CC2)C1 ZINC000926959942 1031968699 /nfs/dbraw/zinc/96/86/99/1031968699.db2.gz DBHPBQNRZOCKDA-OIISXLGYSA-N 1 3 349.485 3.502 20 0 EHADHO C[NH+](C)CCOc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000685436651 1033327219 /nfs/dbraw/zinc/32/72/19/1033327219.db2.gz NASVBTFSRAUTLW-UHFFFAOYSA-N 1 3 326.440 3.509 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470036 1033367728 /nfs/dbraw/zinc/36/77/28/1033367728.db2.gz JOIUNGUEXJWLGE-GDBMZVCRSA-N 1 3 326.431 3.677 20 0 EHADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OC(F)F ZINC000685470036 1033367732 /nfs/dbraw/zinc/36/77/32/1033367732.db2.gz JOIUNGUEXJWLGE-GDBMZVCRSA-N 1 3 326.431 3.677 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000685470821 1033371899 /nfs/dbraw/zinc/37/18/99/1033371899.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470821 1033371914 /nfs/dbraw/zinc/37/19/14/1033371914.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000685470821 1033371924 /nfs/dbraw/zinc/37/19/24/1033371924.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000685470821 1033371938 /nfs/dbraw/zinc/37/19/38/1033371938.db2.gz UMMDUOKUQRHVOT-RDJZCZTQSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1c[nH]nc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000685615611 1033621461 /nfs/dbraw/zinc/62/14/61/1033621461.db2.gz NNTDNBUCCUNOHR-UHFFFAOYSA-N 1 3 340.515 3.543 20 0 EHADHO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000669684342 1033675457 /nfs/dbraw/zinc/67/54/57/1033675457.db2.gz HTBPVTWQKIUWDU-BVOGOJNSSA-N 1 3 330.516 3.690 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C/C[N@@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577910 1033774332 /nfs/dbraw/zinc/77/43/32/1033774332.db2.gz SIIGKPURBZQPGQ-ZBKUBXTQSA-N 1 3 342.618 3.689 20 0 EHADHO CC(C)[C@@H]1CN(C/C=C/C[N@H+]2CCS[C@H](C(C)C)C2)CCS1 ZINC000608577910 1033774344 /nfs/dbraw/zinc/77/43/44/1033774344.db2.gz SIIGKPURBZQPGQ-ZBKUBXTQSA-N 1 3 342.618 3.689 20 0 EHADHO FCC1(CF)CC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000658019560 1033845281 /nfs/dbraw/zinc/84/52/81/1033845281.db2.gz RCAJMPJMXUTNNL-SFHVURJKSA-N 1 3 336.470 3.966 20 0 EHADHO CN(Cc1ccccc1Br)C1CCC([NH+](C)C)CC1 ZINC001168314869 1033972039 /nfs/dbraw/zinc/97/20/39/1033972039.db2.gz GXWWGGONUDUCSV-UHFFFAOYSA-N 1 3 325.294 3.754 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000658168818 1034035393 /nfs/dbraw/zinc/03/53/93/1034035393.db2.gz ZIOCCNSBUGDEHV-OAHLLOKOSA-N 1 3 345.437 3.923 20 0 EHADHO Cc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000119077003 1034080860 /nfs/dbraw/zinc/08/08/60/1034080860.db2.gz DJVYPYGTASDWSM-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1(F)F ZINC000658216221 1034101016 /nfs/dbraw/zinc/10/10/16/1034101016.db2.gz AMYDFPFGHQKUEV-INDMIFKZSA-N 1 3 334.454 3.922 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614780 1034153355 /nfs/dbraw/zinc/15/33/55/1034153355.db2.gz IMVYAKPIKFQJCQ-OCCSQVGLSA-N 1 3 330.394 3.732 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000537614780 1034153363 /nfs/dbraw/zinc/15/33/63/1034153363.db2.gz IMVYAKPIKFQJCQ-OCCSQVGLSA-N 1 3 330.394 3.732 20 0 EHADHO C[NH+](C)CC[C@H](NCc1cccc(Br)c1)C(C)(C)C ZINC000604770822 1034486002 /nfs/dbraw/zinc/48/60/02/1034486002.db2.gz LHWBGDCBNXWMRW-HNNXBMFYSA-N 1 3 327.310 3.905 20 0 EHADHO CC(=O)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000450607300 1034586507 /nfs/dbraw/zinc/58/65/07/1034586507.db2.gz HBDXBTXIYGBVSK-UHFFFAOYSA-N 1 3 328.500 3.977 20 0 EHADHO C[C@](O)(CCNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000187927861 1035870290 /nfs/dbraw/zinc/87/02/90/1035870290.db2.gz IAZWYUFHYGTZNY-NRFANRHFSA-N 1 3 330.516 3.671 20 0 EHADHO c1ccc2c(c1)nc([C@@H]1CCCCN1)n2C1CC[NH+](CC2CC2)CC1 ZINC001168387354 1036269651 /nfs/dbraw/zinc/26/96/51/1036269651.db2.gz FMFMNHKTEJJKNY-IBGZPJMESA-N 1 3 338.499 3.898 20 0 EHADHO CC(C)c1nc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccn21 ZINC000572651294 1036445914 /nfs/dbraw/zinc/44/59/14/1036445914.db2.gz UJIXXJRQRALPPW-SFHVURJKSA-N 1 3 340.515 3.621 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000892601101 1036500795 /nfs/dbraw/zinc/50/07/95/1036500795.db2.gz ZEWWJGQKOAPSQT-UHFFFAOYSA-N 1 3 346.446 3.542 20 0 EHADHO Cc1ccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000376401281 1036535092 /nfs/dbraw/zinc/53/50/92/1036535092.db2.gz YVFUSDBJQWDUHW-OAQYLSRUSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1ccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000376401281 1036535104 /nfs/dbraw/zinc/53/51/04/1036535104.db2.gz YVFUSDBJQWDUHW-OAQYLSRUSA-N 1 3 329.532 3.548 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000414303820 1036545720 /nfs/dbraw/zinc/54/57/20/1036545720.db2.gz DSCHBPDCTNGFQB-HGHGUNKESA-N 1 3 348.506 3.534 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769513 1036639482 /nfs/dbraw/zinc/63/94/82/1036639482.db2.gz IJJNPICHZFCQRU-IHPCNDPISA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769513 1036639491 /nfs/dbraw/zinc/63/94/91/1036639491.db2.gz IJJNPICHZFCQRU-IHPCNDPISA-N 1 3 340.515 3.762 20 0 EHADHO C[N@H+](CCOc1cccc(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464847043 1036888335 /nfs/dbraw/zinc/88/83/35/1036888335.db2.gz TXFSLLLXPDGWPQ-LJQANCHMSA-N 1 3 342.458 3.658 20 0 EHADHO C[N@@H+](CCOc1cccc(F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464847043 1036888356 /nfs/dbraw/zinc/88/83/56/1036888356.db2.gz TXFSLLLXPDGWPQ-LJQANCHMSA-N 1 3 342.458 3.658 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000590787287 1037049468 /nfs/dbraw/zinc/04/94/68/1037049468.db2.gz YLBAOUGMIBHPOR-UHFFFAOYSA-N 1 3 327.472 3.894 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000590787287 1037049486 /nfs/dbraw/zinc/04/94/86/1037049486.db2.gz YLBAOUGMIBHPOR-UHFFFAOYSA-N 1 3 327.472 3.894 20 0 EHADHO c1oc(-c2ccccc2)nc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542823 1037067525 /nfs/dbraw/zinc/06/75/25/1037067525.db2.gz CLBAWULNRLZJQP-ROUUACIJSA-N 1 3 325.456 3.553 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647543472 1037090555 /nfs/dbraw/zinc/09/05/55/1037090555.db2.gz OEDHRYCAJRKBRY-RTBURBONSA-N 1 3 339.483 3.862 20 0 EHADHO C[C@H](N[C@H]1CCCc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000423214275 1037183521 /nfs/dbraw/zinc/18/35/21/1037183521.db2.gz LBAICRMNCYZQNQ-JDFRZJQESA-N 1 3 337.305 3.804 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CC3 ZINC000493275599 1037191365 /nfs/dbraw/zinc/19/13/65/1037191365.db2.gz ACQKWPSDWYSRKX-BRWVUGGUSA-N 1 3 325.500 3.796 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461547 1037365945 /nfs/dbraw/zinc/36/59/45/1037365945.db2.gz TXLWQDWGNFEPKW-UXPWSPDFSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461547 1037365953 /nfs/dbraw/zinc/36/59/53/1037365953.db2.gz TXLWQDWGNFEPKW-UXPWSPDFSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461547 1037365968 /nfs/dbraw/zinc/36/59/68/1037365968.db2.gz TXLWQDWGNFEPKW-UXPWSPDFSA-N 1 3 349.950 3.797 20 0 EHADHO CO[C@](C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000462806666 1037425328 /nfs/dbraw/zinc/42/53/28/1037425328.db2.gz JZRMZTSQMKQTEP-FVTFTPSCSA-N 1 3 342.527 3.692 20 0 EHADHO CC(C)CCN1CCC([NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)CC1 ZINC000925273227 1037663163 /nfs/dbraw/zinc/66/31/63/1037663163.db2.gz XHNYXXOBVJOYFA-AZUAARDMSA-N 1 3 332.532 3.641 20 0 EHADHO Cc1ccc(-c2cccc(CNC3(CCO)CC[NH+](C)CC3)c2)cc1 ZINC000573625159 1037664263 /nfs/dbraw/zinc/66/42/63/1037664263.db2.gz XHLWRZMDTYBCLD-UHFFFAOYSA-N 1 3 338.495 3.598 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCCO1 ZINC000542474858 1037888691 /nfs/dbraw/zinc/88/86/91/1037888691.db2.gz PZOKTPFEYWEPSH-BEFAXECRSA-N 1 3 336.907 3.709 20 0 EHADHO CCOc1cc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OC(F)F ZINC000163875565 1037897179 /nfs/dbraw/zinc/89/71/79/1037897179.db2.gz SPVBVVACDJLWIO-GUTXKFCHSA-N 1 3 342.430 3.505 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccccc3)cc2)CC1 ZINC000173327133 1038037269 /nfs/dbraw/zinc/03/72/69/1038037269.db2.gz PVTRDIRFMRJBRC-LJQANCHMSA-N 1 3 337.511 3.675 20 0 EHADHO CSc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000549400218 1038167598 /nfs/dbraw/zinc/16/75/98/1038167598.db2.gz PWRVROUTEWLKCI-CALCHBBNSA-N 1 3 348.556 3.730 20 0 EHADHO CSc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000549400218 1038167604 /nfs/dbraw/zinc/16/76/04/1038167604.db2.gz PWRVROUTEWLKCI-CALCHBBNSA-N 1 3 348.556 3.730 20 0 EHADHO Fc1cccc([C@@H](NC2CC[NH+](CC3CC3)CC2)C2CCOCC2)c1 ZINC001168359956 1038637189 /nfs/dbraw/zinc/63/71/89/1038637189.db2.gz JHJIVMKLMNJLSS-NRFANRHFSA-N 1 3 346.490 3.757 20 0 EHADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183929725 1038758078 /nfs/dbraw/zinc/75/80/78/1038758078.db2.gz OVXROCKBDLRLSX-PCCBWWKXSA-N 1 3 344.543 3.939 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552283899 1039136364 /nfs/dbraw/zinc/13/63/64/1039136364.db2.gz MCYNKCAPQAEIFL-KJJMTIBFSA-N 1 3 342.527 3.693 20 0 EHADHO CC(C)(C)CCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512458187 1039223518 /nfs/dbraw/zinc/22/35/18/1039223518.db2.gz YYLWJCWQZBTANC-NRFANRHFSA-N 1 3 343.559 3.705 20 0 EHADHO CC(C)(C)CCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512458187 1039223531 /nfs/dbraw/zinc/22/35/31/1039223531.db2.gz YYLWJCWQZBTANC-NRFANRHFSA-N 1 3 343.559 3.705 20 0 EHADHO COc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)ccc1C ZINC000237105019 1039308533 /nfs/dbraw/zinc/30/85/33/1039308533.db2.gz IWFQHTYLOKTMMK-UHFFFAOYSA-N 1 3 342.483 3.624 20 0 EHADHO COc1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479463043 1040262151 /nfs/dbraw/zinc/26/21/51/1040262151.db2.gz HUYMYWWJNPKOCO-WIYYLYMNSA-N 1 3 336.479 3.794 20 0 EHADHO COc1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479463043 1040262167 /nfs/dbraw/zinc/26/21/67/1040262167.db2.gz HUYMYWWJNPKOCO-WIYYLYMNSA-N 1 3 336.479 3.794 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)C(F)(F)F)CC1 ZINC000479608998 1040428085 /nfs/dbraw/zinc/42/80/85/1040428085.db2.gz YQKWXVFBKWKXBV-HNNXBMFYSA-N 1 3 343.437 3.507 20 0 EHADHO Cc1ccc(C(C)(C)C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500087997 1040477041 /nfs/dbraw/zinc/47/70/41/1040477041.db2.gz IOKOAIPRZIOJET-UHFFFAOYSA-N 1 3 345.575 3.621 20 0 EHADHO Cc1ccc(C(C)(C)C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000500087997 1040477057 /nfs/dbraw/zinc/47/70/57/1040477057.db2.gz IOKOAIPRZIOJET-UHFFFAOYSA-N 1 3 345.575 3.621 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CO)CC3(CCC3)C2)CC1 ZINC000433087317 1040698791 /nfs/dbraw/zinc/69/87/91/1040698791.db2.gz IOMFKTBQZHKPFD-IEBWSBKVSA-N 1 3 334.548 3.562 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(CN2CCCCC2)ccn1 ZINC001167752677 1040837242 /nfs/dbraw/zinc/83/72/42/1040837242.db2.gz WTMBZJXXFWWBRY-GOSISDBHSA-N 1 3 330.520 3.744 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCNc1cc(CN2CCCCC2)ccn1 ZINC001167752677 1040837251 /nfs/dbraw/zinc/83/72/51/1040837251.db2.gz WTMBZJXXFWWBRY-GOSISDBHSA-N 1 3 330.520 3.744 20 0 EHADHO CC(C)C[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555615823 1040924440 /nfs/dbraw/zinc/92/44/40/1040924440.db2.gz CXDUPRSUWNKBBV-FPOVZHCZSA-N 1 3 344.543 3.939 20 0 EHADHO C[NH+]1CCC([C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000555801755 1041160721 /nfs/dbraw/zinc/16/07/21/1041160721.db2.gz ATKGSTPUECRQMM-INIZCTEOSA-N 1 3 326.406 3.869 20 0 EHADHO COc1ccc(-c2nc(CNCCCC[N@H+](C)C3CC3)cs2)cc1 ZINC000651600498 1041775001 /nfs/dbraw/zinc/77/50/01/1041775001.db2.gz XHIDGHFXAPGCJT-UHFFFAOYSA-N 1 3 345.512 3.783 20 0 EHADHO COc1ccc(-c2nc(CNCCCC[N@@H+](C)C3CC3)cs2)cc1 ZINC000651600498 1041775005 /nfs/dbraw/zinc/77/50/05/1041775005.db2.gz XHIDGHFXAPGCJT-UHFFFAOYSA-N 1 3 345.512 3.783 20 0 EHADHO C[C@H](c1cccs1)N(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253389 1042636804 /nfs/dbraw/zinc/63/68/04/1042636804.db2.gz USYVSUJFBLDMJX-AEFFLSMTSA-N 1 3 342.508 3.832 20 0 EHADHO CCc1nc2c(s1)[C@@H](N(C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662278675 1042651980 /nfs/dbraw/zinc/65/19/80/1042651980.db2.gz JTUYWBGLKULKOM-SFHVURJKSA-N 1 3 341.524 3.861 20 0 EHADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(NC4CC4)CCC3)cc2)C1 ZINC000662675058 1042826473 /nfs/dbraw/zinc/82/64/73/1042826473.db2.gz IPFBSVOBINTOLT-INIZCTEOSA-N 1 3 341.499 3.532 20 0 EHADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(NC4CC4)CCC3)cc2)C1 ZINC000662675058 1042826475 /nfs/dbraw/zinc/82/64/75/1042826475.db2.gz IPFBSVOBINTOLT-INIZCTEOSA-N 1 3 341.499 3.532 20 0 EHADHO C/C(=C\c1ccc(Cl)cc1)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432368275 1043010405 /nfs/dbraw/zinc/01/04/05/1043010405.db2.gz PHPGGPSAKCNPAW-HJUDDPQBSA-N 1 3 336.907 3.834 20 0 EHADHO C/C(=C\c1ccc(Cl)cc1)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432368275 1043010409 /nfs/dbraw/zinc/01/04/09/1043010409.db2.gz PHPGGPSAKCNPAW-HJUDDPQBSA-N 1 3 336.907 3.834 20 0 EHADHO CCC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000432421558 1043157027 /nfs/dbraw/zinc/15/70/27/1043157027.db2.gz PTALCWNTEXFCHP-YLJYHZDGSA-N 1 3 334.504 3.627 20 0 EHADHO CCC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000432421558 1043157033 /nfs/dbraw/zinc/15/70/33/1043157033.db2.gz PTALCWNTEXFCHP-YLJYHZDGSA-N 1 3 334.504 3.627 20 0 EHADHO COc1cccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000512250703 1044399308 /nfs/dbraw/zinc/39/93/08/1044399308.db2.gz DRVDJMSVHFTFBK-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO COc1cccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1 ZINC000512250703 1044399324 /nfs/dbraw/zinc/39/93/24/1044399324.db2.gz DRVDJMSVHFTFBK-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000153594066 1125634943 /nfs/dbraw/zinc/63/49/43/1125634943.db2.gz HTYCQUPTQVAZAU-JTDSTZFVSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000153594066 1125634944 /nfs/dbraw/zinc/63/49/44/1125634944.db2.gz HTYCQUPTQVAZAU-JTDSTZFVSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1Cl ZINC000153594066 1125634948 /nfs/dbraw/zinc/63/49/48/1125634948.db2.gz HTYCQUPTQVAZAU-JTDSTZFVSA-N 1 3 337.939 3.795 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000154321163 1125711069 /nfs/dbraw/zinc/71/10/69/1125711069.db2.gz WWOUKPWMWWSSNU-GOSISDBHSA-N 1 3 341.499 3.625 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071542 1126839168 /nfs/dbraw/zinc/83/91/68/1126839168.db2.gz ROTZLIYILROQMH-SBHAEUEKSA-N 1 3 330.516 3.864 20 0 EHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071542 1126839171 /nfs/dbraw/zinc/83/91/71/1126839171.db2.gz ROTZLIYILROQMH-SBHAEUEKSA-N 1 3 330.516 3.864 20 0 EHADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000339071542 1126839173 /nfs/dbraw/zinc/83/91/73/1126839173.db2.gz ROTZLIYILROQMH-SBHAEUEKSA-N 1 3 330.516 3.864 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)CC1(C)C ZINC000623356978 1126928436 /nfs/dbraw/zinc/92/84/36/1126928436.db2.gz RPSVFTCWFXIYIT-LJQANCHMSA-N 1 3 342.483 3.959 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623443671 1126957311 /nfs/dbraw/zinc/95/73/11/1126957311.db2.gz IUKUUUXXCCKQGS-YJBOKZPZSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623443671 1126957313 /nfs/dbraw/zinc/95/73/13/1126957313.db2.gz IUKUUUXXCCKQGS-YJBOKZPZSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443671 1126957314 /nfs/dbraw/zinc/95/73/14/1126957314.db2.gz IUKUUUXXCCKQGS-YJBOKZPZSA-N 1 3 326.488 3.704 20 0 EHADHO CN1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497115 1126971023 /nfs/dbraw/zinc/97/10/23/1126971023.db2.gz XYNKHALDDYILOE-FPOVZHCZSA-N 1 3 329.532 3.504 20 0 EHADHO Brc1sccc1CNCCCCC[NH+]1CCCC1 ZINC000623533802 1126972791 /nfs/dbraw/zinc/97/27/91/1126972791.db2.gz MYSHUCUGQIYQMZ-UHFFFAOYSA-N 1 3 331.323 3.866 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623547621 1126978372 /nfs/dbraw/zinc/97/83/72/1126978372.db2.gz VRTDIQMWVCLYEQ-ZDUSSCGKSA-N 1 3 348.384 3.588 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623547621 1126978375 /nfs/dbraw/zinc/97/83/75/1126978375.db2.gz VRTDIQMWVCLYEQ-ZDUSSCGKSA-N 1 3 348.384 3.588 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124108 1127256467 /nfs/dbraw/zinc/25/64/67/1127256467.db2.gz XJJYZESAFYQKRJ-CJNGLKHVSA-N 1 3 341.421 3.799 20 0 EHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123240 1127256709 /nfs/dbraw/zinc/25/67/09/1127256709.db2.gz IJGWCANKZXAZJZ-HOCLYGCPSA-N 1 3 328.422 3.958 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CC3 ZINC000624122733 1127256736 /nfs/dbraw/zinc/25/67/36/1127256736.db2.gz ZSTSHYMLVHDMLT-SJORKVTESA-N 1 3 325.500 3.655 20 0 EHADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CCCS2 ZINC000624123639 1127256845 /nfs/dbraw/zinc/25/68/45/1127256845.db2.gz PRMHGPZOBGYMBR-QAPCUYQASA-N 1 3 334.529 3.944 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624121799 1127255176 /nfs/dbraw/zinc/25/51/76/1127255176.db2.gz DFAJYFUMVMKESU-RDTXWAMCSA-N 1 3 331.460 3.552 20 0 EHADHO COc1ccc(OCCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000185758866 1127431183 /nfs/dbraw/zinc/43/11/83/1127431183.db2.gz FUVOFRWECQSSPN-MSOLQXFVSA-N 1 3 346.515 3.707 20 0 EHADHO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383441215 1127543039 /nfs/dbraw/zinc/54/30/39/1127543039.db2.gz DSIAVLYVYPLZQR-YJBOKZPZSA-N 1 3 330.422 3.965 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000671741217 1128178566 /nfs/dbraw/zinc/17/85/66/1128178566.db2.gz SXMAYTVLYQCWGU-IBGZPJMESA-N 1 3 331.548 3.563 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001203221702 1128724153 /nfs/dbraw/zinc/72/41/53/1128724153.db2.gz GMBAILJILHHJJR-SBHAEUEKSA-N 1 3 341.543 3.744 20 0 EHADHO Fc1cncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000494603656 1120684181 /nfs/dbraw/zinc/68/41/81/1120684181.db2.gz NBNHOKNPZWRVBV-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO CC[C@H](CN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000494879903 1120890953 /nfs/dbraw/zinc/89/09/53/1120890953.db2.gz BSOHSIJHUYCCTA-DBVUQKKJSA-N 1 3 334.479 3.757 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886097 1120894909 /nfs/dbraw/zinc/89/49/09/1120894909.db2.gz MCMZAUHZAZITJC-WMZOPIPTSA-N 1 3 333.524 3.670 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000494886097 1120894911 /nfs/dbraw/zinc/89/49/11/1120894911.db2.gz MCMZAUHZAZITJC-WMZOPIPTSA-N 1 3 333.524 3.670 20 0 EHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494922615 1120906167 /nfs/dbraw/zinc/90/61/67/1120906167.db2.gz JZDQZXFXGMYRIH-LMMKCTJWSA-N 1 3 347.551 3.774 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000496267189 1122034127 /nfs/dbraw/zinc/03/41/27/1122034127.db2.gz XLPFCQIKDQDPTN-CABCVRRESA-N 1 3 339.439 3.514 20 0 EHADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125887733 1122354057 /nfs/dbraw/zinc/35/40/57/1122354057.db2.gz ADPRIIDCSQCJQU-KBXCAEBGSA-N 1 3 345.531 3.933 20 0 EHADHO C1CCC2(C1)[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)[C@@H]1CCO[C@H]12 ZINC000556260037 1122903237 /nfs/dbraw/zinc/90/32/37/1122903237.db2.gz AMNGGSWVOUBOCH-XUVXKRRUSA-N 1 3 332.532 3.721 20 0 EHADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@@H]2CCC[C@@H]21 ZINC000556872526 1123162084 /nfs/dbraw/zinc/16/20/84/1123162084.db2.gz YWFJZWAVLNSYBB-VKESLTNKSA-N 1 3 347.572 3.593 20 0 EHADHO CC(C)[NH+]1CCC(NCC(C)(C)Oc2cc(F)cc(F)c2)CC1 ZINC000556909334 1123195572 /nfs/dbraw/zinc/19/55/72/1123195572.db2.gz BTXDOZGQIUYRDV-UHFFFAOYSA-N 1 3 326.431 3.585 20 0 EHADHO CCC(CC)[C@H](CNC1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000132303398 1123216979 /nfs/dbraw/zinc/21/69/79/1123216979.db2.gz LDFPGOFWMFAZTH-KRWDZBQOSA-N 1 3 349.485 3.503 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc(C)c1F ZINC000133180552 1123356608 /nfs/dbraw/zinc/35/66/08/1123356608.db2.gz SHTJPZAWMLPPGX-IRXDYDNUSA-N 1 3 334.479 3.594 20 0 EHADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000246594093 1124521570 /nfs/dbraw/zinc/52/15/70/1124521570.db2.gz ZOMUXOFRVRDJMG-SOUVJXGZSA-N 1 3 344.421 3.935 20 0 EHADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000246594093 1124521574 /nfs/dbraw/zinc/52/15/74/1124521574.db2.gz ZOMUXOFRVRDJMG-SOUVJXGZSA-N 1 3 344.421 3.935 20 0 EHADHO Fc1ccc(SCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247049363 1124581757 /nfs/dbraw/zinc/58/17/57/1124581757.db2.gz ZFUIDVWPFSLXEC-KXBFYZLASA-N 1 3 334.504 3.867 20 0 EHADHO Fc1ccc(SCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247049363 1124581763 /nfs/dbraw/zinc/58/17/63/1124581763.db2.gz ZFUIDVWPFSLXEC-KXBFYZLASA-N 1 3 334.504 3.867 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000247943307 1124630830 /nfs/dbraw/zinc/63/08/30/1124630830.db2.gz GRBLICLRYSAJOJ-QMMLZNLJSA-N 1 3 330.516 3.791 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000247943307 1124630832 /nfs/dbraw/zinc/63/08/32/1124630832.db2.gz GRBLICLRYSAJOJ-QMMLZNLJSA-N 1 3 330.516 3.791 20 0 EHADHO Fc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCCC2)c(F)c1 ZINC000249130654 1124740516 /nfs/dbraw/zinc/74/05/16/1124740516.db2.gz LPBWNAFFINVBMJ-IRXDYDNUSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)c(F)c1 ZINC000249130654 1124740524 /nfs/dbraw/zinc/74/05/24/1124740524.db2.gz LPBWNAFFINVBMJ-IRXDYDNUSA-N 1 3 334.454 3.993 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285063 1124973679 /nfs/dbraw/zinc/97/36/79/1124973679.db2.gz SCEHDRYUGINDNC-OAQYLSRUSA-N 1 3 347.522 3.674 20 0 EHADHO COc1ccc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C2CC2)cc1 ZINC000091311183 1124976062 /nfs/dbraw/zinc/97/60/62/1124976062.db2.gz CMHJGSPKEQTCNR-CBGDNZLLSA-N 1 3 346.515 3.625 20 0 EHADHO CC(=O)Nc1cccc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000631083003 1129899920 /nfs/dbraw/zinc/89/99/20/1129899920.db2.gz MEYZGQUMOFJCHA-QGZVFWFLSA-N 1 3 339.483 3.645 20 0 EHADHO CC[NH+]1CCC(CNCc2ccc(C)cc2Br)CC1 ZINC000159301795 1129902203 /nfs/dbraw/zinc/90/22/03/1129902203.db2.gz GSPSCNILEQXRKE-UHFFFAOYSA-N 1 3 325.294 3.579 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)oc1C ZINC000658163873 1130220350 /nfs/dbraw/zinc/22/03/50/1130220350.db2.gz BUPGYTXLEABKFD-INIZCTEOSA-N 1 3 327.472 3.854 20 0 EHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000675493421 1130414005 /nfs/dbraw/zinc/41/40/05/1130414005.db2.gz ICQJELFQWWPVPM-ACRUOGEOSA-N 1 3 330.516 3.961 20 0 EHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000675493421 1130414009 /nfs/dbraw/zinc/41/40/09/1130414009.db2.gz ICQJELFQWWPVPM-ACRUOGEOSA-N 1 3 330.516 3.961 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883327 1131552970 /nfs/dbraw/zinc/55/29/70/1131552970.db2.gz NLWKZWQYTAUFQQ-SJLPKXTDSA-N 1 3 342.483 3.714 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)C[C@H]1C ZINC000740883327 1131552973 /nfs/dbraw/zinc/55/29/73/1131552973.db2.gz NLWKZWQYTAUFQQ-SJLPKXTDSA-N 1 3 342.483 3.714 20 0 EHADHO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCCC[NH+](C)C ZINC000742734079 1131782016 /nfs/dbraw/zinc/78/20/16/1131782016.db2.gz HKVXZQOAENEXDV-UHFFFAOYSA-N 1 3 348.922 3.882 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ccnc(F)c3)c(F)c1)C2 ZINC001169098466 1132654295 /nfs/dbraw/zinc/65/42/95/1132654295.db2.gz IKLJMRICPPYZCK-OSYLJGHBSA-N 1 3 343.421 3.742 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCCCC2)[C@H]1CCCN(C2CCC2)C1 ZINC001169124123 1132665811 /nfs/dbraw/zinc/66/58/11/1132665811.db2.gz MLVIPKUVNJKCGM-CMKODMSKSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CCCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169124123 1132665814 /nfs/dbraw/zinc/66/58/14/1132665814.db2.gz MLVIPKUVNJKCGM-CMKODMSKSA-N 1 3 334.548 3.968 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124123 1132665818 /nfs/dbraw/zinc/66/58/18/1132665818.db2.gz MLVIPKUVNJKCGM-CMKODMSKSA-N 1 3 334.548 3.968 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109326 1132671281 /nfs/dbraw/zinc/67/12/81/1132671281.db2.gz AUAAWMHZZRANQW-ZJOBFFGXSA-N 1 3 339.405 3.766 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cncc(C(F)(F)F)c1)C1CC1)C2 ZINC001169115730 1132673133 /nfs/dbraw/zinc/67/31/33/1132673133.db2.gz NPOGNHWPLOIWFV-YVSFHVDLSA-N 1 3 339.405 3.766 20 0 EHADHO c1ccc2c(c1)OCC[C@H]2CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001178585583 1133179922 /nfs/dbraw/zinc/17/99/22/1133179922.db2.gz XPZMAOYWEKDNGQ-PKOBYXMFSA-N 1 3 328.500 3.939 20 0 EHADHO c1ccc2c(c1)OCC[C@H]2CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585583 1133179925 /nfs/dbraw/zinc/17/99/25/1133179925.db2.gz XPZMAOYWEKDNGQ-PKOBYXMFSA-N 1 3 328.500 3.939 20 0 EHADHO Cc1ccc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC001181371356 1133481517 /nfs/dbraw/zinc/48/15/17/1133481517.db2.gz ALDNGLDKZOAQFR-ZRZAMGCNSA-N 1 3 334.507 3.910 20 0 EHADHO Cc1ccc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC001181371356 1133481518 /nfs/dbraw/zinc/48/15/18/1133481518.db2.gz ALDNGLDKZOAQFR-ZRZAMGCNSA-N 1 3 334.507 3.910 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(O)CCCCC2)ccc1OC ZINC000775383115 1134693982 /nfs/dbraw/zinc/69/39/82/1134693982.db2.gz UVVKLWQZVDOYED-QGZVFWFLSA-N 1 3 348.531 3.883 20 0 EHADHO CCc1cc(CN[C@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)n[nH]1 ZINC000775394305 1134713739 /nfs/dbraw/zinc/71/37/39/1134713739.db2.gz KTADMOLIYVWMTG-OAHLLOKOSA-N 1 3 344.503 3.673 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2[nH]1 ZINC000775635150 1135365316 /nfs/dbraw/zinc/36/53/16/1135365316.db2.gz YLTJQXABLMVOKJ-BBWFWOEESA-N 1 3 329.488 3.708 20 0 EHADHO CCC[NH+]1CCC(NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809755506 1135886504 /nfs/dbraw/zinc/88/65/04/1135886504.db2.gz RRTJOWCJIFSINC-QGZVFWFLSA-N 1 3 345.314 3.881 20 0 EHADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000809756007 1135887150 /nfs/dbraw/zinc/88/71/50/1135887150.db2.gz NTCKDZPLRUUORD-CQSZACIVSA-N 1 3 344.471 3.899 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCCC(C)(C)C3)cc2)CC1 ZINC001199275545 1135895881 /nfs/dbraw/zinc/89/58/81/1135895881.db2.gz KDMIQCKZSQHJRJ-OAQYLSRUSA-N 1 3 343.559 3.740 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810087106 1135919185 /nfs/dbraw/zinc/91/91/85/1135919185.db2.gz NQTQLBXAHNKDTH-HXUWFJFHSA-N 1 3 349.494 3.679 20 0 EHADHO c1ccc(CC[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1 ZINC001201598254 1136039916 /nfs/dbraw/zinc/03/99/16/1136039916.db2.gz KOYJHOVQSFQXAP-UHFFFAOYSA-N 1 3 335.495 3.612 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC(C)(C)C2)CCN1Cc1ccccc1 ZINC001202176389 1136105552 /nfs/dbraw/zinc/10/55/52/1136105552.db2.gz PYRFQSVLTTYEFT-PZJWPPBQSA-N 1 3 343.559 3.751 20 0 EHADHO C[C@H]([NH2+]CCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850569830 1136288420 /nfs/dbraw/zinc/28/84/20/1136288420.db2.gz CIUXPQPIXNYAIY-DOTOQJQBSA-N 1 3 336.570 3.683 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000818959353 1136895466 /nfs/dbraw/zinc/89/54/66/1136895466.db2.gz ILLRKCJUGBIZKB-AVRDEDQJSA-N 1 3 338.495 3.884 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000818959353 1136895471 /nfs/dbraw/zinc/89/54/71/1136895471.db2.gz ILLRKCJUGBIZKB-AVRDEDQJSA-N 1 3 338.495 3.884 20 0 EHADHO C[NH+](C)CC[C@@H](NC[C@H](O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000819081293 1136906704 /nfs/dbraw/zinc/90/67/04/1136906704.db2.gz LDVPJIGLGOLNLX-JKSUJKDBSA-N 1 3 346.437 3.695 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819283031 1136931357 /nfs/dbraw/zinc/93/13/57/1136931357.db2.gz FRDWUOXPCSBILS-VXKWHMMOSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283031 1136931359 /nfs/dbraw/zinc/93/13/59/1136931359.db2.gz FRDWUOXPCSBILS-VXKWHMMOSA-N 1 3 338.495 3.530 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000173420303 1137096231 /nfs/dbraw/zinc/09/62/31/1137096231.db2.gz WWPYBXNYYDDKRI-VCBZYWHSSA-N 1 3 340.458 3.752 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866240409 1137338167 /nfs/dbraw/zinc/33/81/67/1137338167.db2.gz DZQDQVLILRUUTE-ROUUACIJSA-N 1 3 325.500 3.877 20 0 EHADHO CCC[NH+]1CCC(N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000866609864 1137368850 /nfs/dbraw/zinc/36/88/50/1137368850.db2.gz VZCBWTFBMOPSCG-RCCFBDPRSA-N 1 3 349.316 3.551 20 0 EHADHO COCC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716635880 1137487940 /nfs/dbraw/zinc/48/79/40/1137487940.db2.gz HBMUEJNENYXICK-UFYCRDLUSA-N 1 3 330.516 3.692 20 0 EHADHO CCOCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693627 1137488532 /nfs/dbraw/zinc/48/85/32/1137488532.db2.gz PJBXPBRPARLPHP-UFYCRDLUSA-N 1 3 330.516 3.692 20 0 EHADHO Fc1cccc(F)c1CCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554443 1137497697 /nfs/dbraw/zinc/49/76/97/1137497697.db2.gz HJVMGXAXGSZPGL-UHFFFAOYSA-N 1 3 331.410 3.505 20 0 EHADHO COC(=O)C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CCCCC1 ZINC001171626056 1137501273 /nfs/dbraw/zinc/50/12/73/1137501273.db2.gz UTOSKHTYTGYTHX-KRWDZBQOSA-N 1 3 338.536 3.739 20 0 EHADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(Cc3ccccc3F)C2)CC1(C)C ZINC001171626814 1137501423 /nfs/dbraw/zinc/50/14/23/1137501423.db2.gz BXJACQWNRANEHX-QGZVFWFLSA-N 1 3 347.522 3.641 20 0 EHADHO CN1C(C)(C)CC([NH2+]CCC2CCC3(CC2)OCCO3)CC1(C)C ZINC001171623796 1137501427 /nfs/dbraw/zinc/50/14/27/1137501427.db2.gz GMPRWWZMQUXKKX-UHFFFAOYSA-N 1 3 338.536 3.551 20 0 EHADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(CC3CCOCC3)CC2)cc1 ZINC001171667069 1137502838 /nfs/dbraw/zinc/50/28/38/1137502838.db2.gz SZXHKFDHQBZLHO-LJQANCHMSA-N 1 3 344.543 3.797 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1(C)C ZINC001171639452 1137504772 /nfs/dbraw/zinc/50/47/72/1137504772.db2.gz KHZTZOIGQUWGPX-OALUTQOASA-N 1 3 341.543 3.597 20 0 EHADHO CN1C(C)(C)CC([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1(C)C ZINC001171639452 1137504774 /nfs/dbraw/zinc/50/47/74/1137504774.db2.gz KHZTZOIGQUWGPX-OALUTQOASA-N 1 3 341.543 3.597 20 0 EHADHO CC[NH+]1CCC(N[C@@H]2CCCCc3cc(OC)c(OC)cc32)CC1 ZINC000872019446 1137564973 /nfs/dbraw/zinc/56/49/73/1137564973.db2.gz XCQLKFATMPANOS-GOSISDBHSA-N 1 3 332.488 3.545 20 0 EHADHO Fc1ccc([C@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccnc2)c(F)c1 ZINC000873263341 1137595659 /nfs/dbraw/zinc/59/56/59/1137595659.db2.gz ILDUWSDYAKAXFP-IULIOSHDSA-N 1 3 343.421 3.569 20 0 EHADHO Cc1cc(CN2CCC3(C2)CC[NH+](C)CC3)ccc1Br ZINC001137616624 1137629692 /nfs/dbraw/zinc/62/96/92/1137629692.db2.gz SSOADWUZLPLSLP-UHFFFAOYSA-N 1 3 337.305 3.675 20 0 EHADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1csc2ccccc21 ZINC000877008787 1137667567 /nfs/dbraw/zinc/66/75/67/1137667567.db2.gz PRWSFQSTHCWYAK-CQSZACIVSA-N 1 3 332.513 3.787 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000877076825 1137669558 /nfs/dbraw/zinc/66/95/58/1137669558.db2.gz VUNADVSOBDTATK-FVQBIDKESA-N 1 3 327.299 3.823 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076825 1137669559 /nfs/dbraw/zinc/66/95/59/1137669559.db2.gz VUNADVSOBDTATK-FVQBIDKESA-N 1 3 327.299 3.823 20 0 EHADHO C[NH+]1CCC2(CCCN(Cc3cc4c(ccnc4Cl)o3)C2)CC1 ZINC000877496418 1137678542 /nfs/dbraw/zinc/67/85/42/1137678542.db2.gz SFVLUWWYZZDISP-UHFFFAOYSA-N 1 3 333.863 3.789 20 0 EHADHO Cc1sc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000877517570 1137679310 /nfs/dbraw/zinc/67/93/10/1137679310.db2.gz NVZNKRROVRWAHA-FUNVUKJBSA-N 1 3 343.334 3.876 20 0 EHADHO Cc1sc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000877517570 1137679311 /nfs/dbraw/zinc/67/93/11/1137679311.db2.gz NVZNKRROVRWAHA-FUNVUKJBSA-N 1 3 343.334 3.876 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccc2c1CCOC2 ZINC000882888587 1137836837 /nfs/dbraw/zinc/83/68/37/1137836837.db2.gz DCMUSEZNFZEUPX-UHFFFAOYSA-N 1 3 338.495 3.889 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccc2c1CCOC2 ZINC000882888587 1137836838 /nfs/dbraw/zinc/83/68/38/1137836838.db2.gz DCMUSEZNFZEUPX-UHFFFAOYSA-N 1 3 338.495 3.889 20 0 EHADHO COc1cc(C)ccc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000119809164 1137944582 /nfs/dbraw/zinc/94/45/82/1137944582.db2.gz IGQUCVALHHJZIK-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000886506284 1138085524 /nfs/dbraw/zinc/08/55/24/1138085524.db2.gz KOZPMGXVKCXRIJ-HXUWFJFHSA-N 1 3 328.504 3.749 20 0 EHADHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000886557017 1138095997 /nfs/dbraw/zinc/09/59/97/1138095997.db2.gz PLDYJXGKLZYFLI-SSTJLMRISA-N 1 3 328.500 3.587 20 0 EHADHO CC1([NH+]2CCCC2)CCC(N[C@H](CCO)c2ccccc2F)CC1 ZINC000886629502 1138103733 /nfs/dbraw/zinc/10/37/33/1138103733.db2.gz GLSAREYYKOGDLV-NQKNOSNGSA-N 1 3 334.479 3.636 20 0 EHADHO CC1(C)[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1(F)F ZINC000886638477 1138104379 /nfs/dbraw/zinc/10/43/79/1138104379.db2.gz VOFXXYQROOQLCW-XLAORIBOSA-N 1 3 334.454 3.920 20 0 EHADHO COc1cc(C)cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000090723904 1138213103 /nfs/dbraw/zinc/21/31/03/1138213103.db2.gz XOBCHNHPQYGKOT-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO COCCc1nc(C)c([C@H](C)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000092737807 1138231340 /nfs/dbraw/zinc/23/13/40/1138231340.db2.gz RYECOZPBRBKBBT-AWEZNQCLSA-N 1 3 347.528 3.553 20 0 EHADHO C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000124675283 1138292355 /nfs/dbraw/zinc/29/23/55/1138292355.db2.gz FXZUJDUGWKYVAV-LJQANCHMSA-N 1 3 334.467 3.517 20 0 EHADHO C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000124675283 1138292358 /nfs/dbraw/zinc/29/23/58/1138292358.db2.gz FXZUJDUGWKYVAV-LJQANCHMSA-N 1 3 334.467 3.517 20 0 EHADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000124699916 1138292825 /nfs/dbraw/zinc/29/28/25/1138292825.db2.gz UNNZLVWPIVSHRP-MRXNPFEDSA-N 1 3 329.513 3.960 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000134171578 1138676096 /nfs/dbraw/zinc/67/60/96/1138676096.db2.gz XBWSJWYRVVVSCF-UHFFFAOYSA-N 1 3 331.504 3.589 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000134171578 1138676097 /nfs/dbraw/zinc/67/60/97/1138676097.db2.gz XBWSJWYRVVVSCF-UHFFFAOYSA-N 1 3 331.504 3.589 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388603 1139088133 /nfs/dbraw/zinc/08/81/33/1139088133.db2.gz DUDLHODVNHBMSK-CHWSQXEVSA-N 1 3 328.378 3.720 20 0 EHADHO Cc1nc(C)c([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000178173797 1139676546 /nfs/dbraw/zinc/67/65/46/1139676546.db2.gz DHJIXWKVWJEYNX-ZDUSSCGKSA-N 1 3 333.501 3.551 20 0 EHADHO COc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000178529993 1139702389 /nfs/dbraw/zinc/70/23/89/1139702389.db2.gz QHQXVGNCXMEGNB-HNNXBMFYSA-N 1 3 346.446 3.626 20 0 EHADHO CCC[C@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000180075056 1139807591 /nfs/dbraw/zinc/80/75/91/1139807591.db2.gz LGFLCZGWZVDQPD-YADHBBJMSA-N 1 3 343.559 3.672 20 0 EHADHO CCC[C@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075056 1139807601 /nfs/dbraw/zinc/80/76/01/1139807601.db2.gz LGFLCZGWZVDQPD-YADHBBJMSA-N 1 3 343.559 3.672 20 0 EHADHO CCN1CCN(C[C@H](C)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182631874 1139983825 /nfs/dbraw/zinc/98/38/25/1139983825.db2.gz FGSCZBWRPKMGKM-GOSISDBHSA-N 1 3 349.522 3.620 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000187766050 1140270251 /nfs/dbraw/zinc/27/02/51/1140270251.db2.gz UHYOVPKWEWGRKY-INIZCTEOSA-N 1 3 331.529 3.580 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000192689866 1140543810 /nfs/dbraw/zinc/54/38/10/1140543810.db2.gz NDUJJFAVRGKQOH-OAQYLSRUSA-N 1 3 339.483 3.664 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000269076057 1141061699 /nfs/dbraw/zinc/06/16/99/1141061699.db2.gz YNQYMRNXJAXJDS-IMFGXOCKSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000269076057 1141061706 /nfs/dbraw/zinc/06/17/06/1141061706.db2.gz YNQYMRNXJAXJDS-IMFGXOCKSA-N 1 3 344.524 3.598 20 0 EHADHO Cc1cccc([C@@H](C)[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000270859428 1141277714 /nfs/dbraw/zinc/27/77/14/1141277714.db2.gz HZEFWSOVGRPWKD-LJQANCHMSA-N 1 3 329.532 3.546 20 0 EHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000349145310 1141645127 /nfs/dbraw/zinc/64/51/27/1141645127.db2.gz SDPHJOSWAVKNNY-FXAWDEMLSA-N 1 3 343.515 3.731 20 0 EHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000349145310 1141645129 /nfs/dbraw/zinc/64/51/29/1141645129.db2.gz SDPHJOSWAVKNNY-FXAWDEMLSA-N 1 3 343.515 3.731 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000067452984 215148082 /nfs/dbraw/zinc/14/80/82/215148082.db2.gz IFUJQZKUWSXEAT-GASCZTMLSA-N 1 3 344.421 3.684 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(Br)cc1 ZINC000037643711 213161533 /nfs/dbraw/zinc/16/15/33/213161533.db2.gz VHFKCYBQLDTKLS-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643711 213161535 /nfs/dbraw/zinc/16/15/35/213161535.db2.gz VHFKCYBQLDTKLS-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1 ZINC000037643711 213161537 /nfs/dbraw/zinc/16/15/37/213161537.db2.gz VHFKCYBQLDTKLS-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2cnccc21 ZINC000904476608 1032072552 /nfs/dbraw/zinc/07/25/52/1032072552.db2.gz UYYKALRFEVRILH-IRLDBZIGSA-N 1 3 345.446 3.580 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000154323685 1015369196 /nfs/dbraw/zinc/36/91/96/1015369196.db2.gz GTZSBCAABYMEIT-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274862585 1015514643 /nfs/dbraw/zinc/51/46/43/1015514643.db2.gz DCFJNZVUUNVZMQ-KGVIQGDOSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862585 1015514657 /nfs/dbraw/zinc/51/46/57/1015514657.db2.gz DCFJNZVUUNVZMQ-KGVIQGDOSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274862585 1015514667 /nfs/dbraw/zinc/51/46/67/1015514667.db2.gz DCFJNZVUUNVZMQ-KGVIQGDOSA-N 1 3 338.495 3.740 20 0 EHADHO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000628187920 1032154404 /nfs/dbraw/zinc/15/44/04/1032154404.db2.gz GMJVCYLZGDVGBO-WOJBJXKFSA-N 1 3 335.580 3.693 20 0 EHADHO Cc1nc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cs1 ZINC000449074105 1032161794 /nfs/dbraw/zinc/16/17/94/1032161794.db2.gz OUJSYZAJZDNNOC-INIZCTEOSA-N 1 3 343.540 3.679 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657838859 1032179805 /nfs/dbraw/zinc/17/98/05/1032179805.db2.gz ZOOMGBKQGSWUSF-YLJYHZDGSA-N 1 3 328.500 3.862 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657838859 1032179811 /nfs/dbraw/zinc/17/98/11/1032179811.db2.gz ZOOMGBKQGSWUSF-YLJYHZDGSA-N 1 3 328.500 3.862 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cc(OC)cc(C)n2)CC1)CC1CC1 ZINC000536737940 1032236483 /nfs/dbraw/zinc/23/64/83/1032236483.db2.gz AECRXNNMPCAKBX-UHFFFAOYSA-N 1 3 345.531 3.733 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cc(OC)cc(C)n2)CC1)CC1CC1 ZINC000536737940 1032236494 /nfs/dbraw/zinc/23/64/94/1032236494.db2.gz AECRXNNMPCAKBX-UHFFFAOYSA-N 1 3 345.531 3.733 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CC(C)(C)c3ccccc32)C[C@@H](C)O1 ZINC000536857447 1032354116 /nfs/dbraw/zinc/35/41/16/1032354116.db2.gz LPYJSTFGNUVCFY-HLIPFELVSA-N 1 3 330.516 3.888 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000536857412 1032354420 /nfs/dbraw/zinc/35/44/20/1032354420.db2.gz LPYJSTFGNUVCFY-FUHIMQAGSA-N 1 3 330.516 3.888 20 0 EHADHO Cc1cccc(C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000536860053 1032358407 /nfs/dbraw/zinc/35/84/07/1032358407.db2.gz YOTZSRRMPRUFEA-IPJJNNNSSA-N 1 3 344.543 3.795 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@@H](C)C1 ZINC000536882747 1032386886 /nfs/dbraw/zinc/38/68/86/1032386886.db2.gz MSGOTHOTVNWFRY-LPHOPBHVSA-N 1 3 346.515 3.837 20 0 EHADHO C[S@](=O)C1(C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000449299038 1032418076 /nfs/dbraw/zinc/41/80/76/1032418076.db2.gz KENBIZOJMRRWMS-QHCPKHFHSA-N 1 3 342.593 3.556 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000602023474 1032596433 /nfs/dbraw/zinc/59/64/33/1032596433.db2.gz XSSNWLCYVANPGF-KFKAGJAMSA-N 1 3 344.499 3.536 20 0 EHADHO CCC[NH+]1CCC(NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000121746282 1032610647 /nfs/dbraw/zinc/61/06/47/1032610647.db2.gz MCSASVRBBHMNHP-IBGZPJMESA-N 1 3 349.588 3.985 20 0 EHADHO [NH3+]CCC[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000415058141 1017469311 /nfs/dbraw/zinc/46/93/11/1017469311.db2.gz SRCCHTMYPSLKHU-MRXNPFEDSA-N 1 3 338.373 3.997 20 0 EHADHO C[NH+]1CCC(CNCc2oc3ccccc3c2Br)CC1 ZINC000655731341 1017484181 /nfs/dbraw/zinc/48/41/81/1017484181.db2.gz WSBRVICDLOMDMN-UHFFFAOYSA-N 1 3 337.261 3.627 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@H]2CCCn3ccnc32)C[N@@H+]1Cc1ccccc1 ZINC000655738176 1017501392 /nfs/dbraw/zinc/50/13/92/1017501392.db2.gz SQVKHFMENASMDR-HOJAQTOUSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@H]2CCCn3ccnc32)C[N@H+]1Cc1ccccc1 ZINC000655738176 1017501397 /nfs/dbraw/zinc/50/13/97/1017501397.db2.gz SQVKHFMENASMDR-HOJAQTOUSA-N 1 3 338.499 3.608 20 0 EHADHO c1cnn(Cc2cccc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1 ZINC000415077756 1017511832 /nfs/dbraw/zinc/51/18/32/1017511832.db2.gz FFXBXFQRRGSKMS-FGZHOGPDSA-N 1 3 346.478 3.514 20 0 EHADHO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000655744602 1017514819 /nfs/dbraw/zinc/51/48/19/1017514819.db2.gz SHAFMQPGTLPENS-VCSGRIEYSA-N 1 3 338.499 3.594 20 0 EHADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000340472565 1017977452 /nfs/dbraw/zinc/97/74/52/1017977452.db2.gz DOJNFXVANWJHFL-MRXNPFEDSA-N 1 3 327.447 3.784 20 0 EHADHO Cc1nn(-c2ccccc2Cl)cc1CN1CCC(C[NH+](C)C)CC1 ZINC000656250420 1019618749 /nfs/dbraw/zinc/61/87/49/1019618749.db2.gz QNEOTPZBLFRISK-UHFFFAOYSA-N 1 3 346.906 3.608 20 0 EHADHO [NH3+][C@H]1CCC[C@H](NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000581200038 1020512582 /nfs/dbraw/zinc/51/25/82/1020512582.db2.gz LMRWPYDYHGUSAI-QWRGUYRKSA-N 1 3 337.678 3.885 20 0 EHADHO COc1cc([C@@H](C)NCC2CC[NH+](CCC(C)C)CC2)c(F)cn1 ZINC000558216937 1020521158 /nfs/dbraw/zinc/52/11/58/1020521158.db2.gz JYWMAQIQOOOIIJ-OAHLLOKOSA-N 1 3 337.483 3.638 20 0 EHADHO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2c(Br)cccc21 ZINC000341199876 1021085647 /nfs/dbraw/zinc/08/56/47/1021085647.db2.gz YVFQNMQMNVHOKK-WBMJQRKESA-N 1 3 325.294 3.756 20 0 EHADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899031 1021593793 /nfs/dbraw/zinc/59/37/93/1021593793.db2.gz CBHCOTKJZRFVPB-KBXCAEBGSA-N 1 3 326.431 3.588 20 0 EHADHO [NH3+]CCCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414911765 1022070982 /nfs/dbraw/zinc/07/09/82/1022070982.db2.gz SZNFZGSEURIBCW-UHFFFAOYSA-N 1 3 329.391 3.657 20 0 EHADHO CCc1cccc(OCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441409761 1022219636 /nfs/dbraw/zinc/21/96/36/1022219636.db2.gz JVSNPCYPKQFSIX-NQIIRXRSSA-N 1 3 328.500 3.577 20 0 EHADHO CCc1cccc(OCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441409761 1022219643 /nfs/dbraw/zinc/21/96/43/1022219643.db2.gz JVSNPCYPKQFSIX-NQIIRXRSSA-N 1 3 328.500 3.577 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438110380 1022395878 /nfs/dbraw/zinc/39/58/78/1022395878.db2.gz SUSOMXYLVPCVBD-UHFFFAOYSA-N 1 3 332.517 3.692 20 0 EHADHO Cc1nc(C)c(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000471832914 1022474557 /nfs/dbraw/zinc/47/45/57/1022474557.db2.gz PLQLEQSSZDESPM-MOPGFXCFSA-N 1 3 343.540 3.932 20 0 EHADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC(C)C ZINC000131833405 1022679872 /nfs/dbraw/zinc/67/98/72/1022679872.db2.gz HNHQHHONWYBGEV-AYHJJNSGSA-N 1 3 332.488 3.587 20 0 EHADHO Fc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCCC2)c1F ZINC000426059538 1022788406 /nfs/dbraw/zinc/78/84/06/1022788406.db2.gz FMJASBNQPOJEST-CVEARBPZSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)c1F ZINC000426059538 1022788415 /nfs/dbraw/zinc/78/84/15/1022788415.db2.gz FMJASBNQPOJEST-CVEARBPZSA-N 1 3 334.454 3.993 20 0 EHADHO COc1cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)ccc1SC(F)F ZINC000293644520 1022881640 /nfs/dbraw/zinc/88/16/40/1022881640.db2.gz KZHOCSQTVHTFNU-RYUDHWBXSA-N 1 3 332.460 3.858 20 0 EHADHO COc1cc(C[NH2+][C@@H]2CCCN[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414951139 1023000358 /nfs/dbraw/zinc/00/03/58/1023000358.db2.gz IOJWQSQEKTZVAK-DNVCBOLYSA-N 1 3 340.467 3.601 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1 ZINC000414958407 1023048359 /nfs/dbraw/zinc/04/83/59/1023048359.db2.gz WSHJZHVQUBRZOW-IFXJQAMLSA-N 1 3 330.422 3.827 20 0 EHADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000438987696 1023195225 /nfs/dbraw/zinc/19/52/25/1023195225.db2.gz UUSAVYTVQJBTOC-IFXJQAMLSA-N 1 3 349.519 3.671 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCNCC1(C)C)c1cccc(Br)c1 ZINC000414982162 1023274155 /nfs/dbraw/zinc/27/41/55/1023274155.db2.gz YNVXFSZHKOFHGX-IUODEOHRSA-N 1 3 325.294 3.530 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000276943817 1023440006 /nfs/dbraw/zinc/44/00/06/1023440006.db2.gz UNUGZFSFBAISAP-QGZVFWFLSA-N 1 3 345.531 3.678 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000276943817 1023440013 /nfs/dbraw/zinc/44/00/13/1023440013.db2.gz UNUGZFSFBAISAP-QGZVFWFLSA-N 1 3 345.531 3.678 20 0 EHADHO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483043 1023471391 /nfs/dbraw/zinc/47/13/91/1023471391.db2.gz PAPPYZZTRGAELU-NQIIRXRSSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H](NCc1cccc(N(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483043 1023471397 /nfs/dbraw/zinc/47/13/97/1023471397.db2.gz PAPPYZZTRGAELU-NQIIRXRSSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H](NCc1cccc(N(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483043 1023471403 /nfs/dbraw/zinc/47/14/03/1023471403.db2.gz PAPPYZZTRGAELU-NQIIRXRSSA-N 1 3 337.511 3.753 20 0 EHADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2COC3(CCC3)C2)c1 ZINC000657879010 1033170688 /nfs/dbraw/zinc/17/06/88/1033170688.db2.gz MVFFVSSAZRNQIN-HXUWFJFHSA-N 1 3 328.500 3.864 20 0 EHADHO C[C@@H](CCN1CC[C@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044282 1024254702 /nfs/dbraw/zinc/25/47/02/1024254702.db2.gz GUCGIHNOWDZZMX-PZJWPPBQSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@@H](CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044282 1024254709 /nfs/dbraw/zinc/25/47/09/1024254709.db2.gz GUCGIHNOWDZZMX-PZJWPPBQSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@@H](CC[N@H+]1CC[C@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044282 1024254720 /nfs/dbraw/zinc/25/47/20/1024254720.db2.gz GUCGIHNOWDZZMX-PZJWPPBQSA-N 1 3 330.516 3.790 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000280965532 1024499325 /nfs/dbraw/zinc/49/93/25/1024499325.db2.gz SQPVKCHWBXSNND-KZNAEPCWSA-N 1 3 348.531 3.906 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156780674 1024577211 /nfs/dbraw/zinc/57/72/11/1024577211.db2.gz YJHYKMBSOFLNFK-GOSISDBHSA-N 1 3 347.547 3.542 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000665231999 1024687179 /nfs/dbraw/zinc/68/71/79/1024687179.db2.gz CVLVFDZZZXGABS-BHDDXSALSA-N 1 3 335.495 3.802 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000665231999 1024687184 /nfs/dbraw/zinc/68/71/84/1024687184.db2.gz CVLVFDZZZXGABS-BHDDXSALSA-N 1 3 335.495 3.802 20 0 EHADHO CCN(Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435388372 1024873036 /nfs/dbraw/zinc/87/30/36/1024873036.db2.gz FSEFLZMBTFEPCN-FQEVSTJZSA-N 1 3 339.483 3.625 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCc3cc(N)ccc32)CC1 ZINC000665270941 1025139034 /nfs/dbraw/zinc/13/90/34/1025139034.db2.gz DALNAITYYDQSSN-HXOBKFHXSA-N 1 3 349.522 3.941 20 0 EHADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000515385029 1025210271 /nfs/dbraw/zinc/21/02/71/1025210271.db2.gz VBRCBPJPOSZDLQ-MRXNPFEDSA-N 1 3 335.373 3.726 20 0 EHADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000346869158 1025264130 /nfs/dbraw/zinc/26/41/30/1025264130.db2.gz SYNPRNHJLBFVHK-AEFFLSMTSA-N 1 3 332.488 3.763 20 0 EHADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCOC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039981 1025268657 /nfs/dbraw/zinc/26/86/57/1025268657.db2.gz JJIJJIVPYVVTMT-CEQLMSFQSA-N 1 3 342.527 3.931 20 0 EHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCc2ccccn2)c1 ZINC000515671700 1025459227 /nfs/dbraw/zinc/45/92/27/1025459227.db2.gz SYHFMNOBODNFRB-RYQLBKOJSA-N 1 3 325.456 3.581 20 0 EHADHO Cc1nc(C)c(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000119791099 1025971706 /nfs/dbraw/zinc/97/17/06/1025971706.db2.gz YYWFHSMJPPQLTB-CYBMUJFWSA-N 1 3 333.501 3.551 20 0 EHADHO Clc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1Br ZINC000192165825 1026112428 /nfs/dbraw/zinc/11/24/28/1026112428.db2.gz YTMDOLBLTDZHIC-LBPRGKRZSA-N 1 3 343.696 3.676 20 0 EHADHO Cc1cccc2c1CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582414607 1026196627 /nfs/dbraw/zinc/19/66/27/1026196627.db2.gz NKKQKYHYXWXJCX-JAXLGGSGSA-N 1 3 334.463 3.828 20 0 EHADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(OC)c1 ZINC000122295902 1026346523 /nfs/dbraw/zinc/34/65/23/1026346523.db2.gz AQSXOVQNYRMFDE-HXUWFJFHSA-N 1 3 342.483 3.877 20 0 EHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1OC ZINC000475213141 1026391461 /nfs/dbraw/zinc/39/14/61/1026391461.db2.gz WCACNSYEFJWPLO-IRXDYDNUSA-N 1 3 348.531 3.907 20 0 EHADHO CC(C)[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716491 1026657533 /nfs/dbraw/zinc/65/75/33/1026657533.db2.gz UIIYCJNFYYYSGC-VQIMIIECSA-N 1 3 336.907 3.880 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000531391434 1026882587 /nfs/dbraw/zinc/88/25/87/1026882587.db2.gz BIHZHTZPOISNBQ-QFBILLFUSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531391434 1026882599 /nfs/dbraw/zinc/88/25/99/1026882599.db2.gz BIHZHTZPOISNBQ-QFBILLFUSA-N 1 3 334.467 3.563 20 0 EHADHO CCN1CC[N@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066654 1026938239 /nfs/dbraw/zinc/93/82/39/1026938239.db2.gz QUKRRZPAJFNBFN-OALUTQOASA-N 1 3 343.559 3.844 20 0 EHADHO CCN1CC[N@@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C(C)(C)C1 ZINC001168066654 1026938243 /nfs/dbraw/zinc/93/82/43/1026938243.db2.gz QUKRRZPAJFNBFN-OALUTQOASA-N 1 3 343.559 3.844 20 0 EHADHO CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)N1CCN(CC)CC1 ZINC000302051376 1027035845 /nfs/dbraw/zinc/03/58/45/1027035845.db2.gz OTSUJSNIROGMQU-MRXNPFEDSA-N 1 3 340.515 3.544 20 0 EHADHO Cc1ccc2nccc(NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)c2c1 ZINC000302221893 1027093347 /nfs/dbraw/zinc/09/33/47/1027093347.db2.gz MQSHEFWQTGUFAQ-RTBURBONSA-N 1 3 347.462 3.591 20 0 EHADHO Cc1ccc2nccc(NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221893 1027093358 /nfs/dbraw/zinc/09/33/58/1027093358.db2.gz MQSHEFWQTGUFAQ-RTBURBONSA-N 1 3 347.462 3.591 20 0 EHADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cc(-c2ccccc2)nn1C ZINC000453096500 1027358761 /nfs/dbraw/zinc/35/87/61/1027358761.db2.gz TVGQGBFWJUYIMU-KRWDZBQOSA-N 1 3 348.494 4.000 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331927 1027482434 /nfs/dbraw/zinc/48/24/34/1027482434.db2.gz CHAMPUPGIJEFAN-LSDHHAIUSA-N 1 3 331.485 3.533 20 0 EHADHO CC1(C)C[NH2+]CC[C@@H]1NCCOC(c1ccccc1)c1ccccc1 ZINC000420355893 1027489240 /nfs/dbraw/zinc/48/92/40/1027489240.db2.gz FMKGJCQLUKAAOL-FQEVSTJZSA-N 1 3 338.495 3.770 20 0 EHADHO CC1(C)CNCC[C@H]1[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000420364474 1027491261 /nfs/dbraw/zinc/49/12/61/1027491261.db2.gz PAMVZXCUXANCFC-MRXNPFEDSA-N 1 3 344.421 3.842 20 0 EHADHO c1csc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727928 1027898720 /nfs/dbraw/zinc/89/87/20/1027898720.db2.gz DUJGASHXUDCBLC-MKXGPGLRSA-N 1 3 347.572 3.785 20 0 EHADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc21 ZINC000422754518 1027920294 /nfs/dbraw/zinc/92/02/94/1027920294.db2.gz GCBSJZFWGWSLAA-UXHICEINSA-N 1 3 340.442 3.608 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422755376 1027923194 /nfs/dbraw/zinc/92/31/94/1027923194.db2.gz BJYHWRGHICYWIF-ZDUSSCGKSA-N 1 3 329.875 3.885 20 0 EHADHO Cc1ccc(CSCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422769687 1027926436 /nfs/dbraw/zinc/92/64/36/1027926436.db2.gz OYZGXGPMSHVCAZ-HNNXBMFYSA-N 1 3 329.513 3.741 20 0 EHADHO Cc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)N2CCCC2)cc1 ZINC000422832765 1027973464 /nfs/dbraw/zinc/97/34/64/1027973464.db2.gz VOTWHGLVLDUEAT-FKBYEOEOSA-N 1 3 335.495 3.866 20 0 EHADHO COc1ccccc1C[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422832488 1027975414 /nfs/dbraw/zinc/97/54/14/1027975414.db2.gz XSGSNTMICNRCJE-OXQOHEQNSA-N 1 3 341.499 3.775 20 0 EHADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422835377 1027978737 /nfs/dbraw/zinc/97/87/37/1027978737.db2.gz IQAUTFPCNGZJFP-MTQWCTHYSA-N 1 3 330.541 3.917 20 0 EHADHO COc1ccc(C(C)(C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422856253 1027989577 /nfs/dbraw/zinc/98/95/77/1027989577.db2.gz DZZUAGAOIQABTH-ROUUACIJSA-N 1 3 340.467 3.716 20 0 EHADHO Fc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c2ncccc12 ZINC000051907756 1028062585 /nfs/dbraw/zinc/06/25/85/1028062585.db2.gz MBLXUBVRYMRMMH-UHFFFAOYSA-N 1 3 327.447 3.682 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000502288105 1028088338 /nfs/dbraw/zinc/08/83/38/1028088338.db2.gz PFJCIVHSJUZVSD-QZTJIDSGSA-N 1 3 348.531 3.653 20 0 EHADHO CC(C)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])Nc1ccccc1 ZINC000422975892 1028104254 /nfs/dbraw/zinc/10/42/54/1028104254.db2.gz HQOFPVRMMPSHNK-YYWHXJBOSA-N 1 3 325.500 3.671 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423015260 1028128034 /nfs/dbraw/zinc/12/80/34/1028128034.db2.gz QOVNTYLEKWXISF-GFCCVEGCSA-N 1 3 331.410 3.509 20 0 EHADHO COc1ccc(C[C@H](C)CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000423026628 1028137168 /nfs/dbraw/zinc/13/71/68/1028137168.db2.gz QKFSWMNQLJIRAL-JVPBZIDWSA-N 1 3 340.467 3.617 20 0 EHADHO CCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1Cl ZINC000423099581 1028182745 /nfs/dbraw/zinc/18/27/45/1028182745.db2.gz FOJHUWOHJHHGBI-LBPRGKRZSA-N 1 3 333.863 3.752 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102405 1028183304 /nfs/dbraw/zinc/18/33/04/1028183304.db2.gz KFIDCPGHVUNSCY-NEPJUHHUSA-N 1 3 343.334 3.649 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102408 1028185741 /nfs/dbraw/zinc/18/57/41/1028185741.db2.gz KFIDCPGHVUNSCY-VXGBXAGGSA-N 1 3 343.334 3.649 20 0 EHADHO Brc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423135489 1028220002 /nfs/dbraw/zinc/22/00/02/1028220002.db2.gz UDOSLRWCMZTUPD-YIONKMFJSA-N 1 3 349.316 3.743 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[C@H]3OC(F)F)CC2)C1 ZINC000503938205 1028242654 /nfs/dbraw/zinc/24/26/54/1028242654.db2.gz SHBLJYCANZXHEQ-QMCVQRASSA-N 1 3 330.463 3.779 20 0 EHADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)CC1 ZINC000421322598 1028265875 /nfs/dbraw/zinc/26/58/75/1028265875.db2.gz DUNMEFRTAJKVNU-UHFFFAOYSA-N 1 3 349.522 3.601 20 0 EHADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(N)CCC1 ZINC000423317162 1028346323 /nfs/dbraw/zinc/34/63/23/1028346323.db2.gz CLKYXUGXHGEYHM-HZMBPMFUSA-N 1 3 341.318 3.703 20 0 EHADHO C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000194066861 1028489017 /nfs/dbraw/zinc/48/90/17/1028489017.db2.gz AMNGGSWVOUBOCH-HSALFYBXSA-N 1 3 332.532 3.721 20 0 EHADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423546951 1028509605 /nfs/dbraw/zinc/50/96/05/1028509605.db2.gz ZQGOQKNMBNCBJF-CYBMUJFWSA-N 1 3 331.460 3.910 20 0 EHADHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000195136100 1028583799 /nfs/dbraw/zinc/58/37/99/1028583799.db2.gz MKRAVDUAGXPTEF-PXNSSMCTSA-N 1 3 340.515 3.945 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccs1 ZINC000583038120 1028624098 /nfs/dbraw/zinc/62/40/98/1028624098.db2.gz DRIRLQXWCDLDSE-GUDVDZBRSA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccs1 ZINC000583038120 1028624103 /nfs/dbraw/zinc/62/41/03/1028624103.db2.gz DRIRLQXWCDLDSE-GUDVDZBRSA-N 1 3 343.540 3.776 20 0 EHADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000246910313 1028711872 /nfs/dbraw/zinc/71/18/72/1028711872.db2.gz FVTXVNZYOXRCJF-BJLQDIEVSA-N 1 3 346.515 3.688 20 0 EHADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247074128 1028742831 /nfs/dbraw/zinc/74/28/31/1028742831.db2.gz OLEWJPUFDMYDJX-AEFFLSMTSA-N 1 3 326.488 3.563 20 0 EHADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247074128 1028742845 /nfs/dbraw/zinc/74/28/45/1028742845.db2.gz OLEWJPUFDMYDJX-AEFFLSMTSA-N 1 3 326.488 3.563 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnc2ccsc2c1 ZINC000247141851 1028751250 /nfs/dbraw/zinc/75/12/50/1028751250.db2.gz WEETWLUBVGOWBE-BZUAXINKSA-N 1 3 347.528 3.836 20 0 EHADHO Fc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771623 1028765721 /nfs/dbraw/zinc/76/57/21/1028765721.db2.gz ABOWKGVHJMQKFN-HOTGVXAUSA-N 1 3 345.487 3.771 20 0 EHADHO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCNCC1 ZINC000414774889 1028817219 /nfs/dbraw/zinc/81/72/19/1028817219.db2.gz BZZZFIFKBAXTJJ-HNNXBMFYSA-N 1 3 325.294 3.502 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000162530671 1028931968 /nfs/dbraw/zinc/93/19/68/1028931968.db2.gz OIPQDGHFNVWHPZ-HXUWFJFHSA-N 1 3 328.431 3.543 20 0 EHADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000424295997 1028938661 /nfs/dbraw/zinc/93/86/61/1028938661.db2.gz RVOBUUQXTFCYBW-CQSZACIVSA-N 1 3 345.487 3.913 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299846 1028940709 /nfs/dbraw/zinc/94/07/09/1028940709.db2.gz VZBAKSYGHQIECH-CYBMUJFWSA-N 1 3 331.485 3.676 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCOC2CCCC2)C3)cc1 ZINC000248996179 1028974590 /nfs/dbraw/zinc/97/45/90/1028974590.db2.gz OYAGHEYKRGCXGM-ACDBMABISA-N 1 3 328.500 3.731 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCOC2CCCC2)C3)cc1 ZINC000248996179 1028974605 /nfs/dbraw/zinc/97/46/05/1028974605.db2.gz OYAGHEYKRGCXGM-ACDBMABISA-N 1 3 328.500 3.731 20 0 EHADHO C[NH+](C)Cc1ccc(CNCc2cnc(-c3ccncc3)s2)cc1 ZINC000343078272 1029002226 /nfs/dbraw/zinc/00/22/26/1029002226.db2.gz DNSWQTOENAUOBZ-UHFFFAOYSA-N 1 3 338.480 3.557 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000414805576 1029206110 /nfs/dbraw/zinc/20/61/10/1029206110.db2.gz GPOFDDUPZISLBS-SNVBAGLBSA-N 1 3 325.275 3.820 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)[C@H](C)C1 ZINC000162717939 1029326621 /nfs/dbraw/zinc/32/66/21/1029326621.db2.gz GRYSJHVKSFOPRG-BEFAXECRSA-N 1 3 343.446 3.833 20 0 EHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000272279721 1029395974 /nfs/dbraw/zinc/39/59/74/1029395974.db2.gz CRLTZWQWIKAZMT-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000272279721 1029395988 /nfs/dbraw/zinc/39/59/88/1029395988.db2.gz CRLTZWQWIKAZMT-NPPFBWRTSA-N 1 3 338.495 3.740 20 0 EHADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414837315 1029515159 /nfs/dbraw/zinc/51/51/59/1029515159.db2.gz GRHOKWAJCPESIQ-CQSZACIVSA-N 1 3 337.895 3.617 20 0 EHADHO CC(C)C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000162844879 1029579751 /nfs/dbraw/zinc/57/97/51/1029579751.db2.gz USDWSIVQOSFDDK-BJLQDIEVSA-N 1 3 333.520 3.648 20 0 EHADHO CC[NH+]1CCC(N[C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092720545 1029722594 /nfs/dbraw/zinc/72/25/94/1029722594.db2.gz IOAONSGPIZCDGV-KRWDZBQOSA-N 1 3 337.305 3.900 20 0 EHADHO CC[NH+]1CCC(N[C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092720544 1029722768 /nfs/dbraw/zinc/72/27/68/1029722768.db2.gz IOAONSGPIZCDGV-QGZVFWFLSA-N 1 3 337.305 3.900 20 0 EHADHO Cc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508694341 1029739762 /nfs/dbraw/zinc/73/97/62/1029739762.db2.gz FXSQSAVUXMVRHN-TZIWHRDSSA-N 1 3 338.495 3.874 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)ccn1 ZINC000453285640 1030029152 /nfs/dbraw/zinc/02/91/52/1030029152.db2.gz JXKPBELFCHCDKJ-BDTNDASRSA-N 1 3 335.495 3.923 20 0 EHADHO Fc1cccc(CC2CCN([C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1F ZINC000453362283 1030175070 /nfs/dbraw/zinc/17/50/70/1030175070.db2.gz NTMALFDZHNPFOW-ROUUACIJSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(CC2CCN([C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1F ZINC000453362283 1030175075 /nfs/dbraw/zinc/17/50/75/1030175075.db2.gz NTMALFDZHNPFOW-ROUUACIJSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@H]1CC[C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000090937227 1030197569 /nfs/dbraw/zinc/19/75/69/1030197569.db2.gz YCTLYRKKSVCOCP-JXFKEZNVSA-N 1 3 339.483 3.750 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964164 1030201106 /nfs/dbraw/zinc/20/11/06/1030201106.db2.gz RVDWYTOKWJNPOP-TYCQWZJGSA-N 1 3 348.506 3.930 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964164 1030201121 /nfs/dbraw/zinc/20/11/21/1030201121.db2.gz RVDWYTOKWJNPOP-TYCQWZJGSA-N 1 3 348.506 3.930 20 0 EHADHO COC[C@H](NCCCC[N@H+](C)C1CC1)c1cccc(Cl)c1F ZINC000453402906 1030211617 /nfs/dbraw/zinc/21/16/17/1030211617.db2.gz OBQHWIMLDHFTAX-INIZCTEOSA-N 1 3 328.859 3.631 20 0 EHADHO COC[C@H](NCCCC[N@@H+](C)C1CC1)c1cccc(Cl)c1F ZINC000453402906 1030211627 /nfs/dbraw/zinc/21/16/27/1030211627.db2.gz OBQHWIMLDHFTAX-INIZCTEOSA-N 1 3 328.859 3.631 20 0 EHADHO COc1cccc(C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000121286170 1030238897 /nfs/dbraw/zinc/23/88/97/1030238897.db2.gz JGFJWHABVDIZEZ-NQIIRXRSSA-N 1 3 330.516 3.726 20 0 EHADHO Cc1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)o1 ZINC000447582340 1030316635 /nfs/dbraw/zinc/31/66/35/1030316635.db2.gz YZPBQYQMPNTGPV-OWZKRDHZSA-N 1 3 339.483 3.619 20 0 EHADHO Cc1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)o1 ZINC000447582340 1030316652 /nfs/dbraw/zinc/31/66/52/1030316652.db2.gz YZPBQYQMPNTGPV-OWZKRDHZSA-N 1 3 339.483 3.619 20 0 EHADHO C[C@@H](NCCOCC[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000447591124 1030328290 /nfs/dbraw/zinc/32/82/90/1030328290.db2.gz BVASADVPXUAZAD-OAHLLOKOSA-N 1 3 326.440 3.815 20 0 EHADHO C[C@H]1C[C@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168091694 1030412755 /nfs/dbraw/zinc/41/27/55/1030412755.db2.gz BGYPYIJNASFLDB-XJKSGUPXSA-N 1 3 342.405 3.523 20 0 EHADHO Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482453474 1030439243 /nfs/dbraw/zinc/43/92/43/1030439243.db2.gz VUHHIBFELSMNFN-AVRDEDQJSA-N 1 3 338.470 3.967 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCCC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000532193255 1030468571 /nfs/dbraw/zinc/46/85/71/1030468571.db2.gz ZGFILASENDKSOD-HKUYNNGSSA-N 1 3 348.531 3.940 20 0 EHADHO Cc1cccn2c(CN3CCC(CCC[NH+]4CCCC4)CC3)cnc12 ZINC000537646924 1030745801 /nfs/dbraw/zinc/74/58/01/1030745801.db2.gz FDFKCTFZGAHHMW-UHFFFAOYSA-N 1 3 340.515 3.731 20 0 EHADHO c1c2ccccc2oc1[C@@H](NCCC1CC[NH2+]CC1)c1cccnc1 ZINC000650762789 1030927666 /nfs/dbraw/zinc/92/76/66/1030927666.db2.gz KCOSRJBEWVMQRO-NRFANRHFSA-N 1 3 335.451 3.897 20 0 EHADHO COCc1cc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)ccc1OC ZINC000131213268 1030986538 /nfs/dbraw/zinc/98/65/38/1030986538.db2.gz LBDGWVVMKYXYPW-MRXNPFEDSA-N 1 3 334.504 3.613 20 0 EHADHO Cc1ccccc1[C@H](C)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000483268805 1031076878 /nfs/dbraw/zinc/07/68/78/1031076878.db2.gz LODKKJOYQGQOBU-FHWLQOOXSA-N 1 3 330.516 3.877 20 0 EHADHO COc1ccc([C@H](NC2CC(C[NH3+])C2)c2ccccc2Cl)cc1 ZINC000904360109 1031978177 /nfs/dbraw/zinc/97/81/77/1031978177.db2.gz HPYHWQDCRVVBLK-XBMPDCEQSA-N 1 3 330.859 3.765 20 0 EHADHO CCc1ccc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)cn1 ZINC000685421037 1033302153 /nfs/dbraw/zinc/30/21/53/1033302153.db2.gz KIZPKBGORUSFSX-UHFFFAOYSA-N 1 3 329.532 3.978 20 0 EHADHO CCc1ccc(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)cn1 ZINC000685421037 1033302170 /nfs/dbraw/zinc/30/21/70/1033302170.db2.gz KIZPKBGORUSFSX-UHFFFAOYSA-N 1 3 329.532 3.978 20 0 EHADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(Br)c(F)c1 ZINC000574877245 1033669848 /nfs/dbraw/zinc/66/98/48/1033669848.db2.gz LOMDWIHIQPPXOR-NSHDSACASA-N 1 3 337.236 3.898 20 0 EHADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163949 1034026413 /nfs/dbraw/zinc/02/64/13/1034026413.db2.gz CBCVDJZXRWHPDX-PMACEKPBSA-N 1 3 333.495 3.802 20 0 EHADHO COc1ccsc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164902 1034028413 /nfs/dbraw/zinc/02/84/13/1034028413.db2.gz GMXPAKIVSYKYOJ-OAHLLOKOSA-N 1 3 345.512 3.715 20 0 EHADHO C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000658240877 1034109926 /nfs/dbraw/zinc/10/99/26/1034109926.db2.gz SMYORTQEJIQNNN-QVKFZJNVSA-N 1 3 340.467 3.671 20 0 EHADHO C[C@H]1C[C@H](CCNCc2ccc(F)cn2)C[N@@H+]1Cc1ccccc1 ZINC000529542819 1034148886 /nfs/dbraw/zinc/14/88/86/1034148886.db2.gz LEVIZTOHMZJANB-WMZOPIPTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H]1C[C@H](CCNCc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542819 1034148890 /nfs/dbraw/zinc/14/88/90/1034148890.db2.gz LEVIZTOHMZJANB-WMZOPIPTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C[C@@H](C)O1 ZINC000450342693 1034149055 /nfs/dbraw/zinc/14/90/55/1034149055.db2.gz TXYFULZCTDHKQN-NUJGCVRESA-N 1 3 344.490 3.633 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC/C=C\c3ccccc3)CC2)CC1 ZINC000450581406 1034544201 /nfs/dbraw/zinc/54/42/01/1034544201.db2.gz FPRLIBFDRPQIPP-POHAHGRESA-N 1 3 341.543 3.580 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(CC)CC ZINC000605425226 1034724495 /nfs/dbraw/zinc/72/44/95/1034724495.db2.gz CWFZACYVUIBWIX-FXAWDEMLSA-N 1 3 345.531 3.977 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(CC)CC ZINC000605425226 1034724510 /nfs/dbraw/zinc/72/45/10/1034724510.db2.gz CWFZACYVUIBWIX-FXAWDEMLSA-N 1 3 345.531 3.977 20 0 EHADHO C[C@H](c1cccc(Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963259 1035732737 /nfs/dbraw/zinc/73/27/37/1035732737.db2.gz OXBNZSMPJVHKRN-MRXNPFEDSA-N 1 3 336.907 3.978 20 0 EHADHO C[C@@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687508 1035972812 /nfs/dbraw/zinc/97/28/12/1035972812.db2.gz LCPPXJIEHNKGER-WIYYLYMNSA-N 1 3 348.490 3.983 20 0 EHADHO C[C@@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc2ccccc21 ZINC000588687508 1035972825 /nfs/dbraw/zinc/97/28/25/1035972825.db2.gz LCPPXJIEHNKGER-WIYYLYMNSA-N 1 3 348.490 3.983 20 0 EHADHO Fc1ccc(S[C@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168389393 1036365634 /nfs/dbraw/zinc/36/56/34/1036365634.db2.gz NNAOBWJLPSHNME-IBGZPJMESA-N 1 3 334.504 3.867 20 0 EHADHO Fc1ccc(S[C@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168389393 1036365651 /nfs/dbraw/zinc/36/56/51/1036365651.db2.gz NNAOBWJLPSHNME-IBGZPJMESA-N 1 3 334.504 3.867 20 0 EHADHO CC[NH+](CC)Cc1cccc(CNCc2cn3ccnc3s2)c1 ZINC000892612366 1036649213 /nfs/dbraw/zinc/64/92/13/1036649213.db2.gz HTXOONRUPYEQPD-UHFFFAOYSA-N 1 3 328.485 3.527 20 0 EHADHO FC(F)(F)c1ccccc1OCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000462391223 1036911057 /nfs/dbraw/zinc/91/10/57/1036911057.db2.gz DCSSFCMYZXOTOJ-KRWDZBQOSA-N 1 3 342.405 3.550 20 0 EHADHO COCc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310895519 1036920049 /nfs/dbraw/zinc/92/00/49/1036920049.db2.gz AEQPVCQTCOVYNB-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310895519 1036920064 /nfs/dbraw/zinc/92/00/64/1036920064.db2.gz AEQPVCQTCOVYNB-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000310895519 1036920077 /nfs/dbraw/zinc/92/00/77/1036920077.db2.gz AEQPVCQTCOVYNB-AVRDEDQJSA-N 1 3 338.495 3.833 20 0 EHADHO CCOc1cccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162563669 1036953325 /nfs/dbraw/zinc/95/33/25/1036953325.db2.gz HQMGIJLWHYJPGY-KRWDZBQOSA-N 1 3 342.483 3.877 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000423378811 1037333447 /nfs/dbraw/zinc/33/34/47/1037333447.db2.gz WQACXVLWALWCKJ-JTNHKYCSSA-N 1 3 329.307 3.821 20 0 EHADHO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000303502296 1037484275 /nfs/dbraw/zinc/48/42/75/1037484275.db2.gz AQZQDQXQYGFIOD-SFHVURJKSA-N 1 3 343.515 3.528 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C[C@@H](C)O1 ZINC000540168592 1037635242 /nfs/dbraw/zinc/63/52/42/1037635242.db2.gz COSDIYXIGVFYAS-UGESXGAOSA-N 1 3 344.543 3.877 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000493905145 1037702824 /nfs/dbraw/zinc/70/28/24/1037702824.db2.gz GVAVYOYGZRDIRC-SUMWQHHRSA-N 1 3 349.316 3.819 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000493905145 1037702841 /nfs/dbraw/zinc/70/28/41/1037702841.db2.gz GVAVYOYGZRDIRC-SUMWQHHRSA-N 1 3 349.316 3.819 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000493917581 1037711187 /nfs/dbraw/zinc/71/11/87/1037711187.db2.gz SGQGFGASVMHZAK-VBNZEHGJSA-N 1 3 337.305 3.817 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000493917581 1037711205 /nfs/dbraw/zinc/71/12/05/1037711205.db2.gz SGQGFGASVMHZAK-VBNZEHGJSA-N 1 3 337.305 3.817 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928616 1037727163 /nfs/dbraw/zinc/72/71/63/1037727163.db2.gz VCIATHOVPGOMNL-BBRMVZONSA-N 1 3 337.305 3.676 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928616 1037727177 /nfs/dbraw/zinc/72/71/77/1037727177.db2.gz VCIATHOVPGOMNL-BBRMVZONSA-N 1 3 337.305 3.676 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928616 1037727196 /nfs/dbraw/zinc/72/71/96/1037727196.db2.gz VCIATHOVPGOMNL-BBRMVZONSA-N 1 3 337.305 3.676 20 0 EHADHO C[C@H]1C[C@H](NCCOc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463078216 1037744854 /nfs/dbraw/zinc/74/48/54/1037744854.db2.gz ODCISYGFXMRUCJ-FXAWDEMLSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@H]1C[C@H](NCCOc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463078216 1037744872 /nfs/dbraw/zinc/74/48/72/1037744872.db2.gz ODCISYGFXMRUCJ-FXAWDEMLSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCCC[C@H]1C ZINC000463143622 1037789941 /nfs/dbraw/zinc/78/99/41/1037789941.db2.gz IGLVBKITZBWPMC-XWSHUIEDSA-N 1 3 343.559 3.892 20 0 EHADHO Clc1ccc2sc(CC[NH2+]C3CCN(CC4CC4)CC3)nc2c1 ZINC000540394336 1037885445 /nfs/dbraw/zinc/88/54/45/1037885445.db2.gz NRERMNCDFKBRKR-UHFFFAOYSA-N 1 3 349.931 3.956 20 0 EHADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000123876718 1038092805 /nfs/dbraw/zinc/09/28/05/1038092805.db2.gz XQPIOFOQHILJFE-SFHVURJKSA-N 1 3 345.531 3.523 20 0 EHADHO COc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1C ZINC000194288813 1038562768 /nfs/dbraw/zinc/56/27/68/1038562768.db2.gz SGCHDSYTPHQIPD-OAQYLSRUSA-N 1 3 338.495 3.658 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000545457305 1038652740 /nfs/dbraw/zinc/65/27/40/1038652740.db2.gz CMXSKKGZEVXDIZ-FXAWDEMLSA-N 1 3 343.902 3.950 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000545457305 1038652743 /nfs/dbraw/zinc/65/27/43/1038652743.db2.gz CMXSKKGZEVXDIZ-FXAWDEMLSA-N 1 3 343.902 3.950 20 0 EHADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924682219 1038654112 /nfs/dbraw/zinc/65/41/12/1038654112.db2.gz BDVWOPHASWLFTA-KURKYZTESA-N 1 3 332.536 3.628 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059094 1038660242 /nfs/dbraw/zinc/66/02/42/1038660242.db2.gz MPUVVGWBVUDJLZ-PXNSSMCTSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000539059094 1038660249 /nfs/dbraw/zinc/66/02/49/1038660249.db2.gz MPUVVGWBVUDJLZ-PXNSSMCTSA-N 1 3 348.494 3.514 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CC4CCOCC4)[C@@H]3C2)cc1 ZINC000552047776 1038912256 /nfs/dbraw/zinc/91/22/56/1038912256.db2.gz XVYXQDWDIBIFBW-BHDDXSALSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000363918184 1038924151 /nfs/dbraw/zinc/92/41/51/1038924151.db2.gz BQRMHQUCNNWXJA-XIRDDKMYSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363918184 1038924158 /nfs/dbraw/zinc/92/41/58/1038924158.db2.gz BQRMHQUCNNWXJA-XIRDDKMYSA-N 1 3 349.906 3.582 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000363922790 1038951859 /nfs/dbraw/zinc/95/18/59/1038951859.db2.gz FTVCUTWXLWKDCI-WJFTUGDTSA-N 1 3 344.547 3.689 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000552265142 1039123673 /nfs/dbraw/zinc/12/36/73/1039123673.db2.gz LFVHUGMFPNNJHK-YRPNKDGESA-N 1 3 330.541 3.772 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000552253707 1039134113 /nfs/dbraw/zinc/13/41/13/1039134113.db2.gz QMEDCSLBTQELQQ-OTWHNJEPSA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000552253707 1039134123 /nfs/dbraw/zinc/13/41/23/1039134123.db2.gz QMEDCSLBTQELQQ-OTWHNJEPSA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1OC ZINC000552253707 1039134136 /nfs/dbraw/zinc/13/41/36/1039134136.db2.gz QMEDCSLBTQELQQ-OTWHNJEPSA-N 1 3 346.515 3.837 20 0 EHADHO c1ccc2nc(CN3CCC(CCC[NH+]4CCCC4)CC3)cnc2c1 ZINC000660120629 1039238559 /nfs/dbraw/zinc/23/85/59/1039238559.db2.gz FLUMNHRNCINURP-UHFFFAOYSA-N 1 3 338.499 3.718 20 0 EHADHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159845 1039330389 /nfs/dbraw/zinc/33/03/89/1039330389.db2.gz UXSPXRONLAWMCO-UXHICEINSA-N 1 3 336.483 3.943 20 0 EHADHO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159845 1039330404 /nfs/dbraw/zinc/33/04/04/1039330404.db2.gz UXSPXRONLAWMCO-UXHICEINSA-N 1 3 336.483 3.943 20 0 EHADHO CC1(C)CC[C@@H](CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)O1 ZINC000480562046 1039700879 /nfs/dbraw/zinc/70/08/79/1039700879.db2.gz IMAOLGNPJGRKNO-RBBKRZOGSA-N 1 3 342.527 3.932 20 0 EHADHO CC1(C)CC[C@@H](CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)O1 ZINC000480562046 1039700887 /nfs/dbraw/zinc/70/08/87/1039700887.db2.gz IMAOLGNPJGRKNO-RBBKRZOGSA-N 1 3 342.527 3.932 20 0 EHADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479441975 1040233669 /nfs/dbraw/zinc/23/36/69/1040233669.db2.gz BSJZRDBZFOREPR-VCOUNFBDSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441975 1040233679 /nfs/dbraw/zinc/23/36/79/1040233679.db2.gz BSJZRDBZFOREPR-VCOUNFBDSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030748 1040276680 /nfs/dbraw/zinc/27/66/80/1040276680.db2.gz BITAPKYYRNMTMK-SJLPKXTDSA-N 1 3 348.556 3.829 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C2 ZINC000490126787 1040364049 /nfs/dbraw/zinc/36/40/49/1040364049.db2.gz XZHYEEHJBNEEHM-DCXXXQMHSA-N 1 3 330.516 3.707 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)CN1CCCC1)CC3 ZINC000490124597 1040364935 /nfs/dbraw/zinc/36/49/35/1040364935.db2.gz KUGBAHNEBMCQLM-DLBZAZTESA-N 1 3 325.500 3.655 20 0 EHADHO CC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000512649850 1040395344 /nfs/dbraw/zinc/39/53/44/1040395344.db2.gz UZUJAKOFUSKIDH-PCCBWWKXSA-N 1 3 342.527 3.693 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(C)C ZINC000512660146 1040443231 /nfs/dbraw/zinc/44/32/31/1040443231.db2.gz LJJPKECXXLVMBV-UWHLTILDSA-N 1 3 330.516 3.548 20 0 EHADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000555563448 1040835346 /nfs/dbraw/zinc/83/53/46/1040835346.db2.gz BSXUBYQHGZRUPF-VXKWHMMOSA-N 1 3 342.527 3.812 20 0 EHADHO Cc1ccccc1OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168372944 1040971144 /nfs/dbraw/zinc/97/11/44/1040971144.db2.gz OAECUZAUXRNANG-UHFFFAOYSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657831 1041756062 /nfs/dbraw/zinc/75/60/62/1041756062.db2.gz ANLCSKXBXAZHMV-KRWDZBQOSA-N 1 3 342.405 3.502 20 0 EHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C2 ZINC000660657831 1041756070 /nfs/dbraw/zinc/75/60/70/1041756070.db2.gz ANLCSKXBXAZHMV-KRWDZBQOSA-N 1 3 342.405 3.502 20 0 EHADHO C[N@H+](CCCCNCc1c(Cl)cccc1OC(F)F)C1CC1 ZINC000651599743 1041771712 /nfs/dbraw/zinc/77/17/12/1041771712.db2.gz AUHZJOLPYCCKNP-UHFFFAOYSA-N 1 3 332.822 3.905 20 0 EHADHO C[N@@H+](CCCCNCc1c(Cl)cccc1OC(F)F)C1CC1 ZINC000651599743 1041771719 /nfs/dbraw/zinc/77/17/19/1041771719.db2.gz AUHZJOLPYCCKNP-UHFFFAOYSA-N 1 3 332.822 3.905 20 0 EHADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000651699969 1041941459 /nfs/dbraw/zinc/94/14/59/1041941459.db2.gz NUKRMUWCOUVDQI-WOJBJXKFSA-N 1 3 332.532 3.592 20 0 EHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000164456930 1042250739 /nfs/dbraw/zinc/25/07/39/1042250739.db2.gz IBSPJMSWKPJIBT-KRWDZBQOSA-N 1 3 334.504 3.627 20 0 EHADHO CN(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336025 1042390278 /nfs/dbraw/zinc/39/02/78/1042390278.db2.gz ZKFMJMCLOAVYLB-UHFFFAOYSA-N 1 3 332.394 3.566 20 0 EHADHO c1ccc2c(c1)CCC1(CC[NH+](CCCN3CCCCC3)CC1)O2 ZINC000662049414 1042482202 /nfs/dbraw/zinc/48/22/02/1042482202.db2.gz FLGOLACFEVXXGS-UHFFFAOYSA-N 1 3 328.500 3.722 20 0 EHADHO c1c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)onc1-c1ccccc1 ZINC000662290450 1042662336 /nfs/dbraw/zinc/66/23/36/1042662336.db2.gz DATSJLLUFRALKM-GOSISDBHSA-N 1 3 325.456 3.553 20 0 EHADHO Fc1cccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294610 1042664123 /nfs/dbraw/zinc/66/41/23/1042664123.db2.gz CRMICJDKTFCFCN-KRWDZBQOSA-N 1 3 343.446 3.692 20 0 EHADHO COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1Cl ZINC000925774751 1042872863 /nfs/dbraw/zinc/87/28/63/1042872863.db2.gz CFITVEAZEHTCIR-WCQYABFASA-N 1 3 332.822 3.552 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432418092 1043151202 /nfs/dbraw/zinc/15/12/02/1043151202.db2.gz PWTYTKXMPHOGMQ-OXJNMPFZSA-N 1 3 346.515 3.508 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418092 1043151205 /nfs/dbraw/zinc/15/12/05/1043151205.db2.gz PWTYTKXMPHOGMQ-OXJNMPFZSA-N 1 3 346.515 3.508 20 0 EHADHO C/C(=C/c1ccccc1)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512183667 1043738953 /nfs/dbraw/zinc/73/89/53/1043738953.db2.gz VXMLSONRJKELLH-HXBBEDJTSA-N 1 3 342.527 3.911 20 0 EHADHO CC[C@H](c1ccc(Br)cc1)N1CCC(C[NH2+]C)CC1 ZINC000063158904 1044150632 /nfs/dbraw/zinc/15/06/32/1044150632.db2.gz IFOWTSVAFYLZCL-MRXNPFEDSA-N 1 3 325.294 3.832 20 0 EHADHO C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000622543638 1126718555 /nfs/dbraw/zinc/71/85/55/1126718555.db2.gz OKKLDDATBFZUGA-HXUWFJFHSA-N 1 3 343.515 3.526 20 0 EHADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623343849 1126922600 /nfs/dbraw/zinc/92/26/00/1126922600.db2.gz KZHIBCDVMMUTRB-LJQANCHMSA-N 1 3 340.515 3.511 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC1(C)C ZINC000623384629 1126939597 /nfs/dbraw/zinc/93/95/97/1126939597.db2.gz AQARWQYPIRZWEP-GFCCVEGCSA-N 1 3 329.257 3.551 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623422228 1126950956 /nfs/dbraw/zinc/95/09/56/1126950956.db2.gz NKQLVEBYPSDARB-YLJYHZDGSA-N 1 3 329.532 3.674 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC3 ZINC000624122732 1127256864 /nfs/dbraw/zinc/25/68/64/1127256864.db2.gz ZSTSHYMLVHDMLT-IRXDYDNUSA-N 1 3 325.500 3.655 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120493 1127255330 /nfs/dbraw/zinc/25/53/30/1127255330.db2.gz AGXSHYXNNPKQBN-GDBMZVCRSA-N 1 3 344.528 3.896 20 0 EHADHO COc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185682128 1127430365 /nfs/dbraw/zinc/43/03/65/1127430365.db2.gz FZWDFMYLLVBDRL-PKOBYXMFSA-N 1 3 330.516 3.870 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321374 1127537533 /nfs/dbraw/zinc/53/75/33/1127537533.db2.gz BCMWAPAPKVUABM-HKUYNNGSSA-N 1 3 327.447 3.784 20 0 EHADHO CC(C)C[C@@H]([NH2+]C[C@H](O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC001168622258 1128474921 /nfs/dbraw/zinc/47/49/21/1128474921.db2.gz IPAOJTUVFQBXNE-ZWKOTPCHSA-N 1 3 326.912 3.718 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000192785818 1120748769 /nfs/dbraw/zinc/74/87/69/1120748769.db2.gz OROZTJOVMAZRDQ-IBGZPJMESA-N 1 3 337.939 3.797 20 0 EHADHO CC(C)C[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192785220 1120749219 /nfs/dbraw/zinc/74/92/19/1120749219.db2.gz SAJPPCSIACITLN-NRFANRHFSA-N 1 3 331.548 3.780 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891873 1120893836 /nfs/dbraw/zinc/89/38/36/1120893836.db2.gz QXAIIFJQIDRGBY-FUHWJXTLSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891873 1120893841 /nfs/dbraw/zinc/89/38/41/1120893841.db2.gz QXAIIFJQIDRGBY-FUHWJXTLSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccccc1Br ZINC000125321114 1122313561 /nfs/dbraw/zinc/31/35/61/1122313561.db2.gz PAZOJBNRIQHRRK-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125887933 1122353355 /nfs/dbraw/zinc/35/33/55/1122353355.db2.gz ADPRIIDCSQCJQU-RDTXWAMCSA-N 1 3 345.531 3.933 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556238602 1122891455 /nfs/dbraw/zinc/89/14/55/1122891455.db2.gz CEYFMDZTZQSUSO-CIAFKFPVSA-N 1 3 342.527 3.692 20 0 EHADHO FC(F)(F)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000556922689 1123210621 /nfs/dbraw/zinc/21/06/21/1123210621.db2.gz FTPLRWWSOBJIDR-YESZJQIVSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556922689 1123210625 /nfs/dbraw/zinc/21/06/25/1123210625.db2.gz FTPLRWWSOBJIDR-YESZJQIVSA-N 1 3 338.417 3.829 20 0 EHADHO FC(F)(F)C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556922689 1123210628 /nfs/dbraw/zinc/21/06/28/1123210628.db2.gz FTPLRWWSOBJIDR-YESZJQIVSA-N 1 3 338.417 3.829 20 0 EHADHO CC[NH+]1CCC(CCN[C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091348406 1124977776 /nfs/dbraw/zinc/97/77/76/1124977776.db2.gz RZZKCTVMCQQDNS-CQSZACIVSA-N 1 3 348.922 3.999 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2cccnc2)ccc1OC ZINC000182332382 1125258272 /nfs/dbraw/zinc/25/82/72/1125258272.db2.gz INGJNSOAMUFNTO-KRWDZBQOSA-N 1 3 341.499 3.825 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000093688786 1125289460 /nfs/dbraw/zinc/28/94/60/1125289460.db2.gz RLJJRXDOJIZYID-UHFFFAOYSA-N 1 3 326.488 3.631 20 0 EHADHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1ccc(F)cc1Br ZINC000673599778 1129609637 /nfs/dbraw/zinc/60/96/37/1129609637.db2.gz DITNWLWBDGRSIQ-CYBMUJFWSA-N 1 3 345.300 3.839 20 0 EHADHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1ccc(F)cc1Br ZINC000673599778 1129609639 /nfs/dbraw/zinc/60/96/39/1129609639.db2.gz DITNWLWBDGRSIQ-CYBMUJFWSA-N 1 3 345.300 3.839 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000673599778 1129609641 /nfs/dbraw/zinc/60/96/41/1129609641.db2.gz DITNWLWBDGRSIQ-CYBMUJFWSA-N 1 3 345.300 3.839 20 0 EHADHO CC[C@@H](Cc1ccccc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165688 1130223535 /nfs/dbraw/zinc/22/35/35/1130223535.db2.gz JZVKAKMZRBVNFG-QFIPXVFZSA-N 1 3 337.511 3.905 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157120 1130592932 /nfs/dbraw/zinc/59/29/32/1130592932.db2.gz FNDABSWQBRPAMV-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157120 1130592937 /nfs/dbraw/zinc/59/29/37/1130592937.db2.gz FNDABSWQBRPAMV-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001172786155 1131846144 /nfs/dbraw/zinc/84/61/44/1131846144.db2.gz QTNVLNSUBFLWBI-IPMKNSEASA-N 1 3 348.531 3.519 20 0 EHADHO CCCN(C)C[C@@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389692 1131909333 /nfs/dbraw/zinc/90/93/33/1131909333.db2.gz GYJRVIHFFGFYRU-INIZCTEOSA-N 1 3 329.513 3.992 20 0 EHADHO CCCN(C)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389692 1131909340 /nfs/dbraw/zinc/90/93/40/1131909340.db2.gz GYJRVIHFFGFYRU-INIZCTEOSA-N 1 3 329.513 3.992 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCN(Cc3ccccc3F)CC2)CC1 ZINC001173111509 1131970802 /nfs/dbraw/zinc/97/08/02/1131970802.db2.gz GFBLPMBSVJWTSU-UHFFFAOYSA-N 1 3 347.522 3.596 20 0 EHADHO Cc1cc(C)cc([C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000743840616 1131983423 /nfs/dbraw/zinc/98/34/23/1131983423.db2.gz OMPKITPGOUFMSO-JOCHJYFZSA-N 1 3 344.543 3.925 20 0 EHADHO CCc1ccc(C[C@H](C)[NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)cc1 ZINC001173243990 1132014761 /nfs/dbraw/zinc/01/47/61/1132014761.db2.gz RAIBBWXSSYBTAV-PGRDOPGGSA-N 1 3 344.543 3.755 20 0 EHADHO CCc1ccc(C[C@H](C)N2CCN(CCC[NH+](CC)CC)CC2)cc1 ZINC001173244844 1132015991 /nfs/dbraw/zinc/01/59/91/1132015991.db2.gz YNBAZIZAYIPRGA-FQEVSTJZSA-N 1 3 345.575 3.530 20 0 EHADHO CN1CC[C@@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444649 1132672151 /nfs/dbraw/zinc/67/21/51/1132672151.db2.gz LTNZAFYXFNWIQN-XLIONFOSSA-N 1 3 330.516 3.779 20 0 EHADHO CN1CC[C@@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001175444649 1132672155 /nfs/dbraw/zinc/67/21/55/1132672155.db2.gz LTNZAFYXFNWIQN-XLIONFOSSA-N 1 3 330.516 3.779 20 0 EHADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)cc1F ZINC001206025599 1132903076 /nfs/dbraw/zinc/90/30/76/1132903076.db2.gz OFOWHWZXZVOIGU-OLZOCXBDSA-N 1 3 343.284 3.703 20 0 EHADHO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)c(OCCC)c1 ZINC001177794806 1133103925 /nfs/dbraw/zinc/10/39/25/1133103925.db2.gz HTKHRZBCYZVXDV-KRWDZBQOSA-N 1 3 334.504 3.696 20 0 EHADHO Cc1ccc(F)cc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001177835149 1133107218 /nfs/dbraw/zinc/10/72/18/1133107218.db2.gz JPAHQBVXXBAKQF-UHFFFAOYSA-N 1 3 342.458 3.899 20 0 EHADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000769683096 1133324194 /nfs/dbraw/zinc/32/41/94/1133324194.db2.gz VKLBRFOWLXRBIB-IKGGRYGDSA-N 1 3 341.540 3.532 20 0 EHADHO CC[N@H+](CCC1CCN(C[C@@H](O)c2ccccc2F)CC1)CC1CC1 ZINC000771474767 1133559860 /nfs/dbraw/zinc/55/98/60/1133559860.db2.gz GEVSPFUSKGGNGD-OAQYLSRUSA-N 1 3 348.506 3.693 20 0 EHADHO CC[N@@H+](CCC1CCN(C[C@@H](O)c2ccccc2F)CC1)CC1CC1 ZINC000771474767 1133559862 /nfs/dbraw/zinc/55/98/62/1133559862.db2.gz GEVSPFUSKGGNGD-OAQYLSRUSA-N 1 3 348.506 3.693 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184387971 1133934001 /nfs/dbraw/zinc/93/40/01/1133934001.db2.gz ODICGIKABZTESN-DNNBLBMLSA-N 1 3 326.406 3.566 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)cc1CN1CCCCC1 ZINC000775383121 1134694463 /nfs/dbraw/zinc/69/44/63/1134694463.db2.gz UZIRHUWELDKSEJ-YLJYHZDGSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cc1CN1CCCCC1 ZINC000775396152 1134720252 /nfs/dbraw/zinc/72/02/52/1134720252.db2.gz YTNGDMZJPDVOLH-XLIONFOSSA-N 1 3 348.531 3.739 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001170423045 1134829722 /nfs/dbraw/zinc/82/97/22/1134829722.db2.gz AZBZIORERDASPC-SFHVURJKSA-N 1 3 344.499 3.720 20 0 EHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cc2ccccc2[nH]1 ZINC000775621253 1135339215 /nfs/dbraw/zinc/33/92/15/1135339215.db2.gz IZLSSRHVZZMXHX-INIZCTEOSA-N 1 3 337.467 3.959 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810087105 1135919329 /nfs/dbraw/zinc/91/93/29/1135919329.db2.gz NQTQLBXAHNKDTH-FQEVSTJZSA-N 1 3 349.494 3.679 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2SCCS2)C3)cc1 ZINC000850562248 1136286602 /nfs/dbraw/zinc/28/66/02/1136286602.db2.gz YPRCBCODWWDMLT-BJWYYQGGSA-N 1 3 334.554 3.578 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2SCCS2)C3)cc1 ZINC000850562248 1136286605 /nfs/dbraw/zinc/28/66/05/1136286605.db2.gz YPRCBCODWWDMLT-BJWYYQGGSA-N 1 3 334.554 3.578 20 0 EHADHO CC(C)CCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559459 1136794868 /nfs/dbraw/zinc/79/48/68/1136794868.db2.gz OOEDWCSPPUPLRI-HXUWFJFHSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)CCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559459 1136794870 /nfs/dbraw/zinc/79/48/70/1136794870.db2.gz OOEDWCSPPUPLRI-HXUWFJFHSA-N 1 3 333.520 3.811 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000817962120 1136852355 /nfs/dbraw/zinc/85/23/55/1136852355.db2.gz GFDAOKZCWZSUNN-CVEARBPZSA-N 1 3 337.467 3.684 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ccnc(CO)c2)C1 ZINC000858351525 1136960628 /nfs/dbraw/zinc/96/06/28/1136960628.db2.gz QPSJSCUHSJQBFF-CALCHBBNSA-N 1 3 339.483 3.664 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccnc(CO)c2)C1 ZINC000858351525 1136960629 /nfs/dbraw/zinc/96/06/29/1136960629.db2.gz QPSJSCUHSJQBFF-CALCHBBNSA-N 1 3 339.483 3.664 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664620 1137068885 /nfs/dbraw/zinc/06/88/85/1137068885.db2.gz UXZHLQJJFGUSCJ-MRRJBJDNSA-N 1 3 345.314 3.831 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000822664620 1137068887 /nfs/dbraw/zinc/06/88/87/1137068887.db2.gz UXZHLQJJFGUSCJ-MRRJBJDNSA-N 1 3 345.314 3.831 20 0 EHADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066021 1137152023 /nfs/dbraw/zinc/15/20/23/1137152023.db2.gz FRWWDIZBYMXRHA-CABCVRRESA-N 1 3 327.299 3.925 20 0 EHADHO C[NH+]1CCC2(CN([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)CC1 ZINC001171171193 1137282031 /nfs/dbraw/zinc/28/20/31/1137282031.db2.gz CXVBIFNAEIGNOL-OAHLLOKOSA-N 1 3 339.310 3.878 20 0 EHADHO Cc1noc(C)c1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865719209 1137306443 /nfs/dbraw/zinc/30/64/43/1137306443.db2.gz JOYMBUJUQRUFKR-UHFFFAOYSA-N 1 3 327.472 3.683 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)[C@@H](C)C1 ZINC000339095013 1137467433 /nfs/dbraw/zinc/46/74/33/1137467433.db2.gz CTGSYGXWTZCWJT-UWJYYQICSA-N 1 3 347.547 3.740 20 0 EHADHO CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000716682876 1137488466 /nfs/dbraw/zinc/48/84/66/1137488466.db2.gz QOVPGKBDMUAXBU-HBMCJLEFSA-N 1 3 342.527 3.836 20 0 EHADHO COc1cc2c(cc1C)C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171623422 1137501360 /nfs/dbraw/zinc/50/13/60/1137501360.db2.gz YEAZXATUXZQKLK-QGZVFWFLSA-N 1 3 330.516 3.712 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(Oc3cccnc3)CC2)CC1(C)C ZINC001171638185 1137504653 /nfs/dbraw/zinc/50/46/53/1137504653.db2.gz VVAPGSJYDYMODA-UHFFFAOYSA-N 1 3 331.504 3.576 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3cccnc3)CC2)CC1(C)C ZINC001171638185 1137504655 /nfs/dbraw/zinc/50/46/55/1137504655.db2.gz VVAPGSJYDYMODA-UHFFFAOYSA-N 1 3 331.504 3.576 20 0 EHADHO CCCCCCN1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171764766 1137509350 /nfs/dbraw/zinc/50/93/50/1137509350.db2.gz UVMSUYYNCPQDJA-RBBKRZOGSA-N 1 3 343.559 3.847 20 0 EHADHO CCCCCCN1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764766 1137509352 /nfs/dbraw/zinc/50/93/52/1137509352.db2.gz UVMSUYYNCPQDJA-RBBKRZOGSA-N 1 3 343.559 3.847 20 0 EHADHO CC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171965754 1137520434 /nfs/dbraw/zinc/52/04/34/1137520434.db2.gz RHQXKLNIXBCVGW-CWRNSKLLSA-N 1 3 326.406 3.520 20 0 EHADHO CC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171965754 1137520435 /nfs/dbraw/zinc/52/04/35/1137520435.db2.gz RHQXKLNIXBCVGW-CWRNSKLLSA-N 1 3 326.406 3.520 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@H]3CCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979672 1137526043 /nfs/dbraw/zinc/52/60/43/1137526043.db2.gz FIBGMOTZHODRJM-AQNXPRMDSA-N 1 3 328.500 3.540 20 0 EHADHO CC1(C)C[C@H](N2CC[C@@H]3CCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979672 1137526045 /nfs/dbraw/zinc/52/60/45/1137526045.db2.gz FIBGMOTZHODRJM-AQNXPRMDSA-N 1 3 328.500 3.540 20 0 EHADHO CCN(CCn1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988271 1137528240 /nfs/dbraw/zinc/52/82/40/1137528240.db2.gz QQFOOQZZUUAAKX-FQEVSTJZSA-N 1 3 340.515 3.648 20 0 EHADHO CCN(CCn1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988271 1137528242 /nfs/dbraw/zinc/52/82/42/1137528242.db2.gz QQFOOQZZUUAAKX-FQEVSTJZSA-N 1 3 340.515 3.648 20 0 EHADHO CCN1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172080330 1137530800 /nfs/dbraw/zinc/53/08/00/1137530800.db2.gz UARKUNLPUHODJH-ZBYYUNFXSA-N 1 3 341.543 3.600 20 0 EHADHO CCN1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172080330 1137530802 /nfs/dbraw/zinc/53/08/02/1137530802.db2.gz UARKUNLPUHODJH-ZBYYUNFXSA-N 1 3 341.543 3.600 20 0 EHADHO CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090352 1137531976 /nfs/dbraw/zinc/53/19/76/1137531976.db2.gz UKTCLDWLUGQESU-PSWRPDDJSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC001172090352 1137531977 /nfs/dbraw/zinc/53/19/77/1137531977.db2.gz UKTCLDWLUGQESU-PSWRPDDJSA-N 1 3 341.543 3.598 20 0 EHADHO CCOC(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)OCC ZINC001172061362 1137533138 /nfs/dbraw/zinc/53/31/38/1137533138.db2.gz GPTKBSFQIPODAI-ACDBMABISA-N 1 3 346.515 3.561 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128529 1137535349 /nfs/dbraw/zinc/53/53/49/1137535349.db2.gz SBQWDSOAQWZUAY-MUJYYYPQSA-N 1 3 349.906 3.594 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(Oc3cccc(Cl)n3)CC1)C2 ZINC001172128529 1137535351 /nfs/dbraw/zinc/53/53/51/1137535351.db2.gz SBQWDSOAQWZUAY-MUJYYYPQSA-N 1 3 349.906 3.594 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001172133273 1137536122 /nfs/dbraw/zinc/53/61/22/1137536122.db2.gz QTZYIMPDCCIQCR-PIIMJCKOSA-N 1 3 344.474 3.736 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001172133273 1137536123 /nfs/dbraw/zinc/53/61/23/1137536123.db2.gz QTZYIMPDCCIQCR-PIIMJCKOSA-N 1 3 344.474 3.736 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001172102174 1137536343 /nfs/dbraw/zinc/53/63/43/1137536343.db2.gz KNBXYJUOWOPHAG-LDLYASANSA-N 1 3 344.499 3.747 20 0 EHADHO COCCC[NH+]1CCC(NCCSc2ccc(Cl)cc2)CC1 ZINC001172243964 1137544439 /nfs/dbraw/zinc/54/44/39/1137544439.db2.gz KACKIKDSMQPZKX-UHFFFAOYSA-N 1 3 342.936 3.523 20 0 EHADHO C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCCCCC[NH3+] ZINC000872155407 1137574127 /nfs/dbraw/zinc/57/41/27/1137574127.db2.gz RCTLBSMMSREMKG-MRXNPFEDSA-N 1 3 327.472 3.618 20 0 EHADHO CCc1ccc([C@@H](CC)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247707 1137595297 /nfs/dbraw/zinc/59/52/97/1137595297.db2.gz SGANDICLWXWCTF-OAQYLSRUSA-N 1 3 349.482 3.529 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054327 1137668908 /nfs/dbraw/zinc/66/89/08/1137668908.db2.gz HHUPQHLDGQBLMR-DYEKYZERSA-N 1 3 333.328 3.914 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@@H]2CC2(Cl)Cl)[C@H]1c1cccs1 ZINC000877054327 1137668907 /nfs/dbraw/zinc/66/89/07/1137668907.db2.gz HHUPQHLDGQBLMR-DYEKYZERSA-N 1 3 333.328 3.914 20 0 EHADHO CCC(C)(C)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000879596898 1137752056 /nfs/dbraw/zinc/75/20/56/1137752056.db2.gz UPSFZYXOTDZELS-UHFFFAOYSA-N 1 3 343.559 3.586 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000333125285 1137956081 /nfs/dbraw/zinc/95/60/81/1137956081.db2.gz IWUGKNJAHVKQDO-RDTXWAMCSA-N 1 3 348.874 3.805 20 0 EHADHO C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886536349 1138092585 /nfs/dbraw/zinc/09/25/85/1138092585.db2.gz GFUDMACNZDSLAV-MVWVFHAYSA-N 1 3 335.495 3.655 20 0 EHADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000090522447 1138211204 /nfs/dbraw/zinc/21/12/04/1138211204.db2.gz CWROBDVIWZEKMY-OTWHNJEPSA-N 1 3 346.540 3.581 20 0 EHADHO CCC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000090936852 1138214249 /nfs/dbraw/zinc/21/42/49/1138214249.db2.gz OILBHDFSOHEGSJ-LJQANCHMSA-N 1 3 327.472 3.653 20 0 EHADHO CSc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937114 1138214300 /nfs/dbraw/zinc/21/43/00/1138214300.db2.gz YGVAPDRQEGUCPE-HNNXBMFYSA-N 1 3 345.512 3.595 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000337188864 1138489914 /nfs/dbraw/zinc/48/99/14/1138489914.db2.gz QPBBKXNLJMCVIT-UHFFFAOYSA-N 1 3 341.499 3.558 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000177212627 1139605276 /nfs/dbraw/zinc/60/52/76/1139605276.db2.gz NGQXCJLNWZMTMZ-SFHVURJKSA-N 1 3 325.500 3.518 20 0 EHADHO CC(C)CCOc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000178522845 1139701046 /nfs/dbraw/zinc/70/10/46/1139701046.db2.gz ISIIWHOBVGUVEN-GOSISDBHSA-N 1 3 348.531 3.609 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000179697467 1139775424 /nfs/dbraw/zinc/77/54/24/1139775424.db2.gz KSVSZYPVJFFTCR-FXAWDEMLSA-N 1 3 339.483 3.796 20 0 EHADHO CCN1CCN(C[C@@H](C)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182631853 1139983443 /nfs/dbraw/zinc/98/34/43/1139983443.db2.gz FGSCZBWRPKMGKM-SFHVURJKSA-N 1 3 349.522 3.620 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000268789496 1140992458 /nfs/dbraw/zinc/99/24/58/1140992458.db2.gz TXQYFGWXGCHFIL-UONOGXRCSA-N 1 3 330.394 3.620 20 0 EHADHO CC(C)c1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000270847009 1141276417 /nfs/dbraw/zinc/27/64/17/1141276417.db2.gz GBACOWYDTQESAS-UHFFFAOYSA-N 1 3 343.559 3.800 20 0 EHADHO Cc1ccncc1[C@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000271575981 1141401648 /nfs/dbraw/zinc/40/16/48/1141401648.db2.gz XUEGXVSBQFGGRU-KRWDZBQOSA-N 1 3 327.472 3.571 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000040227468 518219127 /nfs/dbraw/zinc/21/91/27/518219127.db2.gz WGUUGOLRWXBKMY-YVEFUNNKSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040227468 518219135 /nfs/dbraw/zinc/21/91/35/518219135.db2.gz WGUUGOLRWXBKMY-YVEFUNNKSA-N 1 3 335.289 3.510 20 0 EHADHO c1nc2cc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000584284370 1032060823 /nfs/dbraw/zinc/06/08/23/1032060823.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 1 3 346.478 3.517 20 0 EHADHO c1nc2cc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000584284370 1032060843 /nfs/dbraw/zinc/06/08/43/1032060843.db2.gz IISGKBZWLXRPTL-WOJBJXKFSA-N 1 3 346.478 3.517 20 0 EHADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000339490976 1014579843 /nfs/dbraw/zinc/57/98/43/1014579843.db2.gz SWQCCUSWVZTSOW-UYAOXDASSA-N 1 3 330.516 3.551 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648881 1016141536 /nfs/dbraw/zinc/14/15/36/1016141536.db2.gz RLGZRLOQFDCKBS-DYVFJYSZSA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648881 1016141545 /nfs/dbraw/zinc/14/15/45/1016141545.db2.gz RLGZRLOQFDCKBS-DYVFJYSZSA-N 1 3 337.305 3.974 20 0 EHADHO CC(C)COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000236678278 1016702209 /nfs/dbraw/zinc/70/22/09/1016702209.db2.gz IRVYHUWZXFFANQ-RTBURBONSA-N 1 3 348.531 3.700 20 0 EHADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]CC3CC3)CC2)cc1 ZINC000236720358 1016727460 /nfs/dbraw/zinc/72/74/60/1016727460.db2.gz HFRQPPJNODLHON-UHFFFAOYSA-N 1 3 335.495 3.508 20 0 EHADHO C[C@H]1C[C@H](NCc2ccnc3c(Br)cccc23)CC[N@@H+]1C ZINC000449175136 1032269283 /nfs/dbraw/zinc/26/92/83/1032269283.db2.gz QJMVUOXFDOJVMF-GXTWGEPZSA-N 1 3 348.288 3.570 20 0 EHADHO C[C@H]1C[C@H](NCc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175136 1032269298 /nfs/dbraw/zinc/26/92/98/1032269298.db2.gz QJMVUOXFDOJVMF-GXTWGEPZSA-N 1 3 348.288 3.570 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccccc1Br ZINC000422832037 1032440388 /nfs/dbraw/zinc/44/03/88/1032440388.db2.gz UISKJKBLNOYAPM-GFCCVEGCSA-N 1 3 348.288 3.505 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc(C)c1F ZINC000090523615 1032583574 /nfs/dbraw/zinc/58/35/74/1032583574.db2.gz CSYMOVCJHGMPJY-DBVUQKKJSA-N 1 3 348.506 3.861 20 0 EHADHO [NH3+]CCC[C@H](NCc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000415048172 1017457031 /nfs/dbraw/zinc/45/70/31/1017457031.db2.gz FUROWFADJGJPML-KRWDZBQOSA-N 1 3 338.480 3.775 20 0 EHADHO CC(C)C[C@H](N)C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000415084459 1017527332 /nfs/dbraw/zinc/52/73/32/1017527332.db2.gz RIKKGOAKQAWHKL-NRFANRHFSA-N 1 3 326.484 3.866 20 0 EHADHO c1cnn(Cc2ccccc2CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415112980 1017568593 /nfs/dbraw/zinc/56/85/93/1017568593.db2.gz SBGFHZOIDVTWAD-FCHUYYIVSA-N 1 3 346.478 3.514 20 0 EHADHO COc1ccc(-c2ccncc2)cc1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000580301722 1018944702 /nfs/dbraw/zinc/94/47/02/1018944702.db2.gz KFSOJSJENOXSBB-GUXCAODWSA-N 1 3 339.483 3.562 20 0 EHADHO C[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000513099002 1019018585 /nfs/dbraw/zinc/01/85/85/1019018585.db2.gz ONSFNGAMJFZRKO-IRLDBZIGSA-N 1 3 343.559 3.753 20 0 EHADHO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224746 1019441682 /nfs/dbraw/zinc/44/16/82/1019441682.db2.gz VQDJKHNRSPDQOZ-HLIPFELVSA-N 1 3 330.516 3.956 20 0 EHADHO C[C@H](Cc1cccc(O)c1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513224746 1019441690 /nfs/dbraw/zinc/44/16/90/1019441690.db2.gz VQDJKHNRSPDQOZ-HLIPFELVSA-N 1 3 330.516 3.956 20 0 EHADHO COC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513668419 1019920772 /nfs/dbraw/zinc/92/07/72/1019920772.db2.gz YEEHXTZCXIONMH-XUVXKRRUSA-N 1 3 330.516 3.692 20 0 EHADHO FC(F)(F)C1CC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000580733027 1019931882 /nfs/dbraw/zinc/93/18/82/1019931882.db2.gz QXWWSIJJKXKFJJ-ZTJXHEDMSA-N 1 3 338.417 3.828 20 0 EHADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccccc3)CCCCC2)CC1 ZINC000501056653 1020676196 /nfs/dbraw/zinc/67/61/96/1020676196.db2.gz AVIGFCPPDADUQU-UHFFFAOYSA-N 1 3 343.559 3.852 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000581518613 1021038723 /nfs/dbraw/zinc/03/87/23/1021038723.db2.gz KVUJQHOTJHMNMI-XWTMOSNGSA-N 1 3 340.433 3.870 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000581518613 1021038729 /nfs/dbraw/zinc/03/87/29/1021038729.db2.gz KVUJQHOTJHMNMI-XWTMOSNGSA-N 1 3 340.433 3.870 20 0 EHADHO Brc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341180142 1021049704 /nfs/dbraw/zinc/04/97/04/1021049704.db2.gz DWTJVLKFPUBSDV-FZKQIMNGSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000341180142 1021049706 /nfs/dbraw/zinc/04/97/06/1021049706.db2.gz DWTJVLKFPUBSDV-FZKQIMNGSA-N 1 3 349.316 3.900 20 0 EHADHO CCCn1c2ccccc2nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786710 1021342817 /nfs/dbraw/zinc/34/28/17/1021342817.db2.gz WUBHMRVAZIIGAJ-SFHVURJKSA-N 1 3 340.515 3.658 20 0 EHADHO c1oc(-c2ccccc2)nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786719 1021343572 /nfs/dbraw/zinc/34/35/72/1021343572.db2.gz WXFHEAOKZDMDQJ-SFHVURJKSA-N 1 3 325.456 3.553 20 0 EHADHO Cc1ccc2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2n1 ZINC000187474396 1021809486 /nfs/dbraw/zinc/80/94/86/1021809486.db2.gz XPMAMBARWJFQCD-DENIHFKCSA-N 1 3 335.495 3.992 20 0 EHADHO Cc1ccc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2n1 ZINC000187474396 1021809499 /nfs/dbraw/zinc/80/94/99/1021809499.db2.gz XPMAMBARWJFQCD-DENIHFKCSA-N 1 3 335.495 3.992 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000441041794 1021938780 /nfs/dbraw/zinc/93/87/80/1021938780.db2.gz OHZHXADOHWNUPD-PMACEKPBSA-N 1 3 335.580 3.693 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166560 1022085857 /nfs/dbraw/zinc/08/58/57/1022085857.db2.gz JDWLUBGHTIPIMQ-CABCVRRESA-N 1 3 344.421 3.857 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166560 1022085875 /nfs/dbraw/zinc/08/58/75/1022085875.db2.gz JDWLUBGHTIPIMQ-CABCVRRESA-N 1 3 344.421 3.857 20 0 EHADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000471795858 1022246934 /nfs/dbraw/zinc/24/69/34/1022246934.db2.gz BKNSTDXEUBPBMG-QHAWAJNXSA-N 1 3 344.543 3.818 20 0 EHADHO C[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)CN(C)C ZINC000425946843 1022377561 /nfs/dbraw/zinc/37/75/61/1022377561.db2.gz QFRFPSQXEPIXNR-FZMZJTMJSA-N 1 3 343.334 3.773 20 0 EHADHO CCc1noc(C)c1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471863123 1022691249 /nfs/dbraw/zinc/69/12/49/1022691249.db2.gz UUDGOJPRCVXOHA-RXVVDRJESA-N 1 3 341.499 3.718 20 0 EHADHO CN1CCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@H]1c1cccs1 ZINC000608059969 1022838171 /nfs/dbraw/zinc/83/81/71/1022838171.db2.gz SAOXPEWUOFWEAX-KXBFYZLASA-N 1 3 340.496 3.797 20 0 EHADHO Brc1ccccc1CC1(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000293634707 1022879490 /nfs/dbraw/zinc/87/94/90/1022879490.db2.gz KJCGOYTXRZELKD-HOTGVXAUSA-N 1 3 349.316 3.741 20 0 EHADHO Brc1ccccc1CC1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000293634707 1022879503 /nfs/dbraw/zinc/87/95/03/1022879503.db2.gz KJCGOYTXRZELKD-HOTGVXAUSA-N 1 3 349.316 3.741 20 0 EHADHO CN(CCCOc1cccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000607358154 1033103496 /nfs/dbraw/zinc/10/34/96/1033103496.db2.gz HZLKMHXCSFAIKY-SFHVURJKSA-N 1 3 326.484 3.882 20 0 EHADHO CN(CCCOc1cccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358154 1033103503 /nfs/dbraw/zinc/10/35/03/1033103503.db2.gz HZLKMHXCSFAIKY-SFHVURJKSA-N 1 3 326.484 3.882 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000414963512 1023101466 /nfs/dbraw/zinc/10/14/66/1023101466.db2.gz KXDLNFIOKVFCRL-CEMLEFRQSA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000414963512 1023101472 /nfs/dbraw/zinc/10/14/72/1023101472.db2.gz KXDLNFIOKVFCRL-CEMLEFRQSA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000414963512 1023101478 /nfs/dbraw/zinc/10/14/78/1023101478.db2.gz KXDLNFIOKVFCRL-CEMLEFRQSA-N 1 3 335.495 3.577 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429513 1023293579 /nfs/dbraw/zinc/29/35/79/1023293579.db2.gz JQJYRRDSIWCGDG-CXAGYDPISA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000536429513 1023293586 /nfs/dbraw/zinc/29/35/86/1023293586.db2.gz JQJYRRDSIWCGDG-CXAGYDPISA-N 1 3 339.321 3.920 20 0 EHADHO COc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1OC(C)C ZINC000092381244 1023398772 /nfs/dbraw/zinc/39/87/72/1023398772.db2.gz YJQUUSZNLWUVGV-UHFFFAOYSA-N 1 3 334.504 3.646 20 0 EHADHO C[NH+](C)CCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000092381361 1023399535 /nfs/dbraw/zinc/39/95/35/1023399535.db2.gz GQKDUAQCDWYSGQ-UHFFFAOYSA-N 1 3 333.495 3.590 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N1CCCCCC1 ZINC000342110462 1024060885 /nfs/dbraw/zinc/06/08/85/1024060885.db2.gz XDPLPLHNRQSFSE-QGZVFWFLSA-N 1 3 343.515 3.526 20 0 EHADHO C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N1CCCCCC1 ZINC000342110462 1024060903 /nfs/dbraw/zinc/06/09/03/1024060903.db2.gz XDPLPLHNRQSFSE-QGZVFWFLSA-N 1 3 343.515 3.526 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000514086973 1024119231 /nfs/dbraw/zinc/11/92/31/1024119231.db2.gz DXBYNNAGJWLTKX-PMPSAXMXSA-N 1 3 328.378 3.548 20 0 EHADHO C[N@H+]1CC[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000514086973 1024119239 /nfs/dbraw/zinc/11/92/39/1024119239.db2.gz DXBYNNAGJWLTKX-PMPSAXMXSA-N 1 3 328.378 3.548 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000514086973 1024119244 /nfs/dbraw/zinc/11/92/44/1024119244.db2.gz DXBYNNAGJWLTKX-PMPSAXMXSA-N 1 3 328.378 3.548 20 0 EHADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166382 1024479958 /nfs/dbraw/zinc/47/99/58/1024479958.db2.gz IWHPILVLDHAONU-TZIWHRDSSA-N 1 3 335.495 3.992 20 0 EHADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2cccnc12 ZINC000346166382 1024479963 /nfs/dbraw/zinc/47/99/63/1024479963.db2.gz IWHPILVLDHAONU-TZIWHRDSSA-N 1 3 335.495 3.992 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000280965526 1024499483 /nfs/dbraw/zinc/49/94/83/1024499483.db2.gz SQPVKCHWBXSNND-KURKYZTESA-N 1 3 348.531 3.906 20 0 EHADHO COCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(C)(C)C ZINC000511053931 1024975580 /nfs/dbraw/zinc/97/55/80/1024975580.db2.gz HRXGBUCHLYBLOX-MHTWAQMVSA-N 1 3 344.543 3.938 20 0 EHADHO C[C@@H]1CC(NCCC(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011793 1025021522 /nfs/dbraw/zinc/02/15/22/1025021522.db2.gz SLPGMRDVFIGIIG-IAGOWNOFSA-N 1 3 346.515 3.749 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000428213328 1025051021 /nfs/dbraw/zinc/05/10/21/1025051021.db2.gz RNLBLRSFCREILG-WWNPGLIZSA-N 1 3 349.522 3.905 20 0 EHADHO CC(C)N1CC[C@H]([NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012567 1025116434 /nfs/dbraw/zinc/11/64/34/1025116434.db2.gz CDKIYCSHOKKNEQ-BJLQDIEVSA-N 1 3 329.532 3.500 20 0 EHADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000515385028 1025209909 /nfs/dbraw/zinc/20/99/09/1025209909.db2.gz VBRCBPJPOSZDLQ-INIZCTEOSA-N 1 3 335.373 3.726 20 0 EHADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000414877735 1025372829 /nfs/dbraw/zinc/37/28/29/1025372829.db2.gz NDSYCCXXOLPJRF-CQSZACIVSA-N 1 3 348.874 3.612 20 0 EHADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000521632818 1025534264 /nfs/dbraw/zinc/53/42/64/1025534264.db2.gz WWGIZKSNCVPORF-CABCVRRESA-N 1 3 331.485 3.533 20 0 EHADHO Fc1ccc(C(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000582301340 1025785923 /nfs/dbraw/zinc/78/59/23/1025785923.db2.gz BXDCVRFLSLFCDM-MSOLQXFVSA-N 1 3 342.433 3.638 20 0 EHADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000324500295 1025923910 /nfs/dbraw/zinc/92/39/10/1025923910.db2.gz QVQCUSZMGBXPJZ-WMZOPIPTSA-N 1 3 334.504 3.867 20 0 EHADHO COCC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000451695600 1026214981 /nfs/dbraw/zinc/21/49/81/1026214981.db2.gz QNFBJJYXPSBFFJ-DLBZAZTESA-N 1 3 344.421 3.857 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1OC ZINC000475213140 1026391436 /nfs/dbraw/zinc/39/14/36/1026391436.db2.gz WCACNSYEFJWPLO-IAGOWNOFSA-N 1 3 348.531 3.907 20 0 EHADHO CC[N@@H+]1CCCN(c2cc(C)nc3ccc(OC(F)F)cc32)CC1 ZINC000301520143 1026838179 /nfs/dbraw/zinc/83/81/79/1026838179.db2.gz LALRTWNZRSTNIV-UHFFFAOYSA-N 1 3 335.398 3.677 20 0 EHADHO CC[N@H+]1CCCN(c2cc(C)nc3ccc(OC(F)F)cc32)CC1 ZINC000301520143 1026838184 /nfs/dbraw/zinc/83/81/84/1026838184.db2.gz LALRTWNZRSTNIV-UHFFFAOYSA-N 1 3 335.398 3.677 20 0 EHADHO Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301713997 1026911784 /nfs/dbraw/zinc/91/17/84/1026911784.db2.gz JCUQYYYZUREWHA-CALCHBBNSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000126721184 1027231483 /nfs/dbraw/zinc/23/14/83/1027231483.db2.gz RRXPLZCXGLLVAU-QHCPKHFHSA-N 1 3 349.522 3.520 20 0 EHADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000657562853 1027304099 /nfs/dbraw/zinc/30/40/99/1027304099.db2.gz JIUFNMOIMKLHQJ-UXHICEINSA-N 1 3 341.543 3.646 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000420301052 1027448520 /nfs/dbraw/zinc/44/85/20/1027448520.db2.gz IIKPTMCUPNUGNW-GHTZIAJQSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000420301052 1027448532 /nfs/dbraw/zinc/44/85/32/1027448532.db2.gz IIKPTMCUPNUGNW-GHTZIAJQSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000420324988 1027478750 /nfs/dbraw/zinc/47/87/50/1027478750.db2.gz VWWCGQOWTKRGMJ-RXVVDRJESA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000420324988 1027478760 /nfs/dbraw/zinc/47/87/60/1027478760.db2.gz VWWCGQOWTKRGMJ-RXVVDRJESA-N 1 3 340.467 3.583 20 0 EHADHO Clc1cccc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000420373551 1027498706 /nfs/dbraw/zinc/49/87/06/1027498706.db2.gz MMIVWXDMZALKSG-DNVCBOLYSA-N 1 3 329.875 3.804 20 0 EHADHO Cn1c2ccccc2nc1[C@@H](NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000420413791 1027514991 /nfs/dbraw/zinc/51/49/91/1027514991.db2.gz SZVQBQJXSSVXCQ-NRFANRHFSA-N 1 3 348.494 3.642 20 0 EHADHO Cn1c2ccccc2nc1[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420410170 1027527207 /nfs/dbraw/zinc/52/72/07/1027527207.db2.gz RDUSYNBDMGVGOW-DYESRHJHSA-N 1 3 348.494 3.642 20 0 EHADHO c1cnc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000657613285 1027631564 /nfs/dbraw/zinc/63/15/64/1027631564.db2.gz WXMSZKMUJZPUKD-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO Fc1ccc(/C=C\C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612656 1027648806 /nfs/dbraw/zinc/64/88/06/1027648806.db2.gz CEWMHYMOFJBBAV-UPHRSURJSA-N 1 3 339.458 3.736 20 0 EHADHO c1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422728131 1027896827 /nfs/dbraw/zinc/89/68/27/1027896827.db2.gz FDUIPAZMSWVIDC-VWPQPMDRSA-N 1 3 334.463 3.910 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422740570 1027908553 /nfs/dbraw/zinc/90/85/53/1027908553.db2.gz NRXDNFCLZYUGMH-XJKSGUPXSA-N 1 3 337.305 3.588 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422744296 1027909438 /nfs/dbraw/zinc/90/94/38/1027909438.db2.gz JVQPIQQKUSEHJG-CVEARBPZSA-N 1 3 337.305 3.730 20 0 EHADHO C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422744946 1027911355 /nfs/dbraw/zinc/91/13/55/1027911355.db2.gz WVTPSVTXHHEODF-DYESRHJHSA-N 1 3 338.499 3.618 20 0 EHADHO COc1ccc(C[C@H](N[C@@H](C)C[C@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000422772588 1027929039 /nfs/dbraw/zinc/92/90/39/1027929039.db2.gz SNVWUSFUTHCLOH-QYWGDWMGSA-N 1 3 342.483 3.703 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422773544 1027929492 /nfs/dbraw/zinc/92/94/92/1027929492.db2.gz UKGQJGJQTNKBHP-SJORKVTESA-N 1 3 334.467 3.755 20 0 EHADHO COc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422778694 1027931701 /nfs/dbraw/zinc/93/17/01/1027931701.db2.gz HYYDVZJPWRVGFN-ZRCAFCQKSA-N 1 3 338.451 3.602 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2ccccc2Br)CC1 ZINC000422775513 1027932549 /nfs/dbraw/zinc/93/25/49/1027932549.db2.gz BOXHRSQHLQOKQD-HZPDHXFCSA-N 1 3 337.305 3.730 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422784393 1027939499 /nfs/dbraw/zinc/93/94/99/1027939499.db2.gz LYMOTCRCUBKRKG-CZUORRHYSA-N 1 3 326.406 3.844 20 0 EHADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132903656 1027976868 /nfs/dbraw/zinc/97/68/68/1027976868.db2.gz ITPWBNKNKZYBDY-DLBZAZTESA-N 1 3 348.556 3.950 20 0 EHADHO COc1ccc(C(C)(C)CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422856246 1027990771 /nfs/dbraw/zinc/99/07/71/1027990771.db2.gz DZZUAGAOIQABTH-MSOLQXFVSA-N 1 3 340.467 3.716 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cnccc1N ZINC000422883312 1028015451 /nfs/dbraw/zinc/01/54/51/1028015451.db2.gz QLEANGNFFTVSGR-IAGOWNOFSA-N 1 3 338.499 3.577 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cnccc1N ZINC000422883312 1028015466 /nfs/dbraw/zinc/01/54/66/1028015466.db2.gz QLEANGNFFTVSGR-IAGOWNOFSA-N 1 3 338.499 3.577 20 0 EHADHO COc1cc(CN[C@H](C)c2c[nH+]ccc2N)ccc1OC1CCCC1 ZINC000422942359 1028070282 /nfs/dbraw/zinc/07/02/82/1028070282.db2.gz PLOWGAVEDDMUFG-CQSZACIVSA-N 1 3 341.455 3.675 20 0 EHADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423040929 1028145952 /nfs/dbraw/zinc/14/59/52/1028145952.db2.gz VLBXINJTSMDNAK-XCLNPWKQSA-N 1 3 326.415 3.780 20 0 EHADHO CC1(C)Cc2ccc(Br)cc2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000423125416 1028191520 /nfs/dbraw/zinc/19/15/20/1028191520.db2.gz IBUUUQAATIULFO-GDBMZVCRSA-N 1 3 337.305 3.804 20 0 EHADHO Cc1cc([C@H](C)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1C ZINC000502421337 1028209175 /nfs/dbraw/zinc/20/91/75/1028209175.db2.gz XVEVZQMDZJHGBB-HBFSDRIKSA-N 1 3 340.515 3.680 20 0 EHADHO Cc1cc([C@H](C)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1C ZINC000502421337 1028209188 /nfs/dbraw/zinc/20/91/88/1028209188.db2.gz XVEVZQMDZJHGBB-HBFSDRIKSA-N 1 3 340.515 3.680 20 0 EHADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C(F)(F)F)n1 ZINC000423134517 1028221017 /nfs/dbraw/zinc/22/10/17/1028221017.db2.gz MIWHPUGOSKVKMR-HIFRSBDPSA-N 1 3 329.410 3.543 20 0 EHADHO CC(C)[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(F)c(F)c1 ZINC000423184717 1028232333 /nfs/dbraw/zinc/23/23/33/1028232333.db2.gz IOHFFONPWJCQRA-LJQANCHMSA-N 1 3 333.426 3.826 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423178732 1028247944 /nfs/dbraw/zinc/24/79/44/1028247944.db2.gz IJGZFNATEFWBLR-ZDUSSCGKSA-N 1 3 345.437 3.899 20 0 EHADHO Brc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)c2ccco2)cc1 ZINC000423252810 1028312388 /nfs/dbraw/zinc/31/23/88/1028312388.db2.gz UUUPIAMVVGANPJ-DYVFJYSZSA-N 1 3 349.272 3.721 20 0 EHADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423294513 1028352951 /nfs/dbraw/zinc/35/29/51/1028352951.db2.gz UPCWRPWPHKPALT-AUUYWEPGSA-N 1 3 326.440 3.718 20 0 EHADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000423352614 1028381598 /nfs/dbraw/zinc/38/15/98/1028381598.db2.gz KVHBLCAFIHJEDQ-FQEVSTJZSA-N 1 3 343.515 3.561 20 0 EHADHO FC(F)(F)Oc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423389829 1028405024 /nfs/dbraw/zinc/40/50/24/1028405024.db2.gz OMLJMTSBEXJMPH-GOSISDBHSA-N 1 3 348.368 3.966 20 0 EHADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(Br)cs1 ZINC000423400455 1028412297 /nfs/dbraw/zinc/41/22/97/1028412297.db2.gz VKMUWSAUOCQEDI-SNVBAGLBSA-N 1 3 337.286 3.965 20 0 EHADHO COC[C@]1(C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)CCCN1 ZINC000423421190 1028415438 /nfs/dbraw/zinc/41/54/38/1028415438.db2.gz JXCMSGCIRFEELF-PGRDOPGGSA-N 1 3 338.495 3.565 20 0 EHADHO CN(Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]CC1 ZINC000414757352 1028573058 /nfs/dbraw/zinc/57/30/58/1028573058.db2.gz WWMAJFTXWJJHFH-SFHVURJKSA-N 1 3 334.467 3.599 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCSc3ccccc32)C[C@@H](C)O1 ZINC000247072870 1028737478 /nfs/dbraw/zinc/73/74/78/1028737478.db2.gz QHKGBUOXGVGJPR-NUJGCVRESA-N 1 3 334.529 3.703 20 0 EHADHO Cc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773636 1028793319 /nfs/dbraw/zinc/79/33/19/1028793319.db2.gz DQKCZOAIGJYXIP-CHWSQXEVSA-N 1 3 343.334 3.641 20 0 EHADHO Cc1ccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)co2)cc1 ZINC000424292877 1028935658 /nfs/dbraw/zinc/93/56/58/1028935658.db2.gz ONJYONTXZDQQSY-MRXNPFEDSA-N 1 3 325.456 3.614 20 0 EHADHO CCc1csc([C@H]2CCCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)n1 ZINC000424275980 1028947879 /nfs/dbraw/zinc/94/78/79/1028947879.db2.gz BKGFOQUGHRPXDQ-HOTGVXAUSA-N 1 3 347.503 3.767 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000162576943 1029020178 /nfs/dbraw/zinc/02/01/78/1029020178.db2.gz SOMQHHOFZBZPSU-GOSISDBHSA-N 1 3 330.497 3.856 20 0 EHADHO CCOc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162596304 1029070626 /nfs/dbraw/zinc/07/06/26/1029070626.db2.gz ZYFAUHAIBOYLCT-QGZVFWFLSA-N 1 3 342.483 3.877 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414791273 1029098372 /nfs/dbraw/zinc/09/83/72/1029098372.db2.gz BDQPAUOPRZMDHB-JFIYKMOQSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272235464 1029374888 /nfs/dbraw/zinc/37/48/88/1029374888.db2.gz VNJOISGKLXNSKK-XMSQKQJNSA-N 1 3 348.490 3.963 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000193159891 1029533319 /nfs/dbraw/zinc/53/33/19/1029533319.db2.gz DORBKGKDQAEBJE-YVEFUNNKSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159891 1029533334 /nfs/dbraw/zinc/53/33/34/1029533334.db2.gz DORBKGKDQAEBJE-YVEFUNNKSA-N 1 3 335.289 3.510 20 0 EHADHO C[NH2+]C[C@H]1CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262039197 1029555849 /nfs/dbraw/zinc/55/58/49/1029555849.db2.gz YAIDWUQUGLDZGO-OAHLLOKOSA-N 1 3 330.422 3.638 20 0 EHADHO COCc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)ccc1OC ZINC000125906680 1029632055 /nfs/dbraw/zinc/63/20/55/1029632055.db2.gz MPKBWMQWRLDOPU-DLBZAZTESA-N 1 3 334.504 3.613 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000481735935 1029894199 /nfs/dbraw/zinc/89/41/99/1029894199.db2.gz BEFBKUXQDAQRGB-HIFRSBDPSA-N 1 3 325.294 3.638 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000481735935 1029894220 /nfs/dbraw/zinc/89/42/20/1029894220.db2.gz BEFBKUXQDAQRGB-HIFRSBDPSA-N 1 3 325.294 3.638 20 0 EHADHO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC000089513196 1029931926 /nfs/dbraw/zinc/93/19/26/1029931926.db2.gz QYELIWWHJQVRJY-CYBMUJFWSA-N 1 3 339.549 3.554 20 0 EHADHO COCC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335025 1030117185 /nfs/dbraw/zinc/11/71/85/1030117185.db2.gz FFPAWBBZBOERLN-XKQJLSEDSA-N 1 3 344.421 3.855 20 0 EHADHO COCC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000453335025 1030117192 /nfs/dbraw/zinc/11/71/92/1030117192.db2.gz FFPAWBBZBOERLN-XKQJLSEDSA-N 1 3 344.421 3.855 20 0 EHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482023287 1030165139 /nfs/dbraw/zinc/16/51/39/1030165139.db2.gz ZJRSUINIBBUPGW-IBGZPJMESA-N 1 3 343.515 3.717 20 0 EHADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cccc(C(F)(F)F)c2)C1 ZINC000650722594 1030195089 /nfs/dbraw/zinc/19/50/89/1030195089.db2.gz XORDHHUVYUEDPL-BRWVUGGUSA-N 1 3 342.405 3.566 20 0 EHADHO CCc1ccc([C@@H](CC)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937104 1030198267 /nfs/dbraw/zinc/19/82/67/1030198267.db2.gz QYHJCCMDGWHOOG-HXUWFJFHSA-N 1 3 341.499 3.825 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1 ZINC000453434531 1030291661 /nfs/dbraw/zinc/29/16/61/1030291661.db2.gz UHJMIOSBUUCLFO-MDNUFGMLSA-N 1 3 349.522 3.823 20 0 EHADHO CCC[C@@H]1CN(CCCn2ccnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000343401456 1030703477 /nfs/dbraw/zinc/70/34/77/1030703477.db2.gz KMNUINAJCCFLFG-OAQYLSRUSA-N 1 3 340.515 3.568 20 0 EHADHO CCC[C@@H]1CN(CCCn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000343401456 1030703492 /nfs/dbraw/zinc/70/34/92/1030703492.db2.gz KMNUINAJCCFLFG-OAQYLSRUSA-N 1 3 340.515 3.568 20 0 EHADHO N[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC1 ZINC000583806579 1030812200 /nfs/dbraw/zinc/81/22/00/1030812200.db2.gz AOYKKUIBQGPKIL-HUUCEWRRSA-N 1 3 331.460 3.654 20 0 EHADHO CCN(Cc1cc(COC)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160678 1030815276 /nfs/dbraw/zinc/81/52/76/1030815276.db2.gz BFGQAMIQUZSTET-UHFFFAOYSA-N 1 3 332.513 3.978 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000482949959 1030829970 /nfs/dbraw/zinc/82/99/70/1030829970.db2.gz WMOSCDVOEZHPCH-MAUKXSAKSA-N 1 3 334.467 3.660 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000482949959 1030829981 /nfs/dbraw/zinc/82/99/81/1030829981.db2.gz WMOSCDVOEZHPCH-MAUKXSAKSA-N 1 3 334.467 3.660 20 0 EHADHO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000482954695 1030846642 /nfs/dbraw/zinc/84/66/42/1030846642.db2.gz XWVQXWQRXVNOMG-CEMLEFRQSA-N 1 3 343.559 3.751 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2ccc(COC)o2)CC1)CC1CC1 ZINC000536142524 1030918455 /nfs/dbraw/zinc/91/84/55/1030918455.db2.gz XCPZYQYFYUNHNV-UHFFFAOYSA-N 1 3 334.504 3.760 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2ccc(COC)o2)CC1)CC1CC1 ZINC000536142524 1030918463 /nfs/dbraw/zinc/91/84/63/1030918463.db2.gz XCPZYQYFYUNHNV-UHFFFAOYSA-N 1 3 334.504 3.760 20 0 EHADHO CCC[NH+]1CCC(CNCc2ccsc2Br)CC1 ZINC000527654497 1031115023 /nfs/dbraw/zinc/11/50/23/1031115023.db2.gz QRBSVTBHMLRFKJ-UHFFFAOYSA-N 1 3 331.323 3.722 20 0 EHADHO Fc1ccc2nc(CNCC3CC[NH+](CC4CC4)CC3)sc2c1 ZINC000657812387 1031270390 /nfs/dbraw/zinc/27/03/90/1031270390.db2.gz AMSWQUWYAOMJKO-UHFFFAOYSA-N 1 3 333.476 3.647 20 0 EHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993871 1031402857 /nfs/dbraw/zinc/40/28/57/1031402857.db2.gz QFPSPFDZEHEVRT-BBRMVZONSA-N 1 3 326.406 3.901 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995428 1031446568 /nfs/dbraw/zinc/44/65/68/1031446568.db2.gz NSLOLRDFWCSTKK-CZUORRHYSA-N 1 3 326.406 3.901 20 0 EHADHO COCCC1CCN(C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000527931604 1031494491 /nfs/dbraw/zinc/49/44/91/1031494491.db2.gz BWODLVJZUYNKBC-IBGZPJMESA-N 1 3 344.543 3.831 20 0 EHADHO Cc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000527989308 1031548272 /nfs/dbraw/zinc/54/82/72/1031548272.db2.gz XGEYSBDSJKZDGG-YPAWHYETSA-N 1 3 335.495 3.923 20 0 EHADHO CCc1nc(C)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178033976 1031607537 /nfs/dbraw/zinc/60/75/37/1031607537.db2.gz BVEIKHQTOHRLOO-ZNMIVQPWSA-N 1 3 339.549 3.554 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000194895492 1031645146 /nfs/dbraw/zinc/64/51/46/1031645146.db2.gz WMLTUTHJRSWEBG-JKSUJKDBSA-N 1 3 334.529 3.560 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cnc3ccccn23)CC1)CC1CC1 ZINC000537849878 1031977563 /nfs/dbraw/zinc/97/75/63/1031977563.db2.gz XBJKQAFDUSVHCR-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cnc3ccccn23)CC1)CC1CC1 ZINC000537849878 1031977567 /nfs/dbraw/zinc/97/75/67/1031977567.db2.gz XBJKQAFDUSVHCR-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890305 1033341009 /nfs/dbraw/zinc/34/10/09/1033341009.db2.gz PIJPAUBYTKEVMI-VCBZYWHSSA-N 1 3 342.483 3.990 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890305 1033341025 /nfs/dbraw/zinc/34/10/25/1033341025.db2.gz PIJPAUBYTKEVMI-VCBZYWHSSA-N 1 3 342.483 3.990 20 0 EHADHO CC[C@H](c1ccncc1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685470083 1033367377 /nfs/dbraw/zinc/36/73/77/1033367377.db2.gz QTFQYWXTRCWTIN-HXUWFJFHSA-N 1 3 327.472 3.605 20 0 EHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCOc1ccccc1 ZINC000460353795 1033546731 /nfs/dbraw/zinc/54/67/31/1033546731.db2.gz RFJVIQJTQCMTMA-RTBURBONSA-N 1 3 338.495 3.812 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657918088 1033638708 /nfs/dbraw/zinc/63/87/08/1033638708.db2.gz AMHHDGFVEMDNAT-OWCLPIDISA-N 1 3 347.528 3.836 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007933 1033710188 /nfs/dbraw/zinc/71/01/88/1033710188.db2.gz FYCNIJLSNSZWFC-QGZVFWFLSA-N 1 3 346.519 3.524 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007933 1033710201 /nfs/dbraw/zinc/71/02/01/1033710201.db2.gz FYCNIJLSNSZWFC-QGZVFWFLSA-N 1 3 346.519 3.524 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4COC5(CCC5)C4)[C@H]3C2)cc1 ZINC000657970079 1033772292 /nfs/dbraw/zinc/77/22/92/1033772292.db2.gz ANIKYCIFMRIEGU-TUFLPTIASA-N 1 3 340.511 3.588 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2ccc(F)cn2)C[N@@H+]1Cc1ccccc1 ZINC000529542815 1034148716 /nfs/dbraw/zinc/14/87/16/1034148716.db2.gz LEVIZTOHMZJANB-AEFFLSMTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000529542815 1034148731 /nfs/dbraw/zinc/14/87/31/1034148731.db2.gz LEVIZTOHMZJANB-AEFFLSMTSA-N 1 3 327.447 3.611 20 0 EHADHO C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1(F)F ZINC000685849373 1035415671 /nfs/dbraw/zinc/41/56/71/1035415671.db2.gz GPJDIVPWQFRPSM-INIZCTEOSA-N 1 3 338.442 3.638 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000414108194 1035529648 /nfs/dbraw/zinc/52/96/48/1035529648.db2.gz ZWLBSTGAKLGZMG-KURKYZTESA-N 1 3 334.504 3.544 20 0 EHADHO CC[N@@H+]1CC[C@@H](NCCOCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000540660568 1035549573 /nfs/dbraw/zinc/54/95/73/1035549573.db2.gz OPTMZWCIHXUHFA-CXAGYDPISA-N 1 3 345.314 3.830 20 0 EHADHO CC[N@H+]1CC[C@@H](NCCOCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000540660568 1035549580 /nfs/dbraw/zinc/54/95/80/1035549580.db2.gz OPTMZWCIHXUHFA-CXAGYDPISA-N 1 3 345.314 3.830 20 0 EHADHO Cc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623502858 1035953348 /nfs/dbraw/zinc/95/33/48/1035953348.db2.gz BGEXUCGODAAKMD-OAHLLOKOSA-N 1 3 325.294 3.720 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000414195229 1036010730 /nfs/dbraw/zinc/01/07/30/1036010730.db2.gz UYRMHZCPWNPBIK-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000414195229 1036010747 /nfs/dbraw/zinc/01/07/47/1036010747.db2.gz UYRMHZCPWNPBIK-STQMWFEESA-N 1 3 343.284 3.971 20 0 EHADHO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CCN(CC2CC2)CC1 ZINC001168395393 1036647624 /nfs/dbraw/zinc/64/76/24/1036647624.db2.gz YKNASMJZNACXSG-UHFFFAOYSA-N 1 3 342.405 3.891 20 0 EHADHO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CCN(CC2CC2)CC1 ZINC001168395393 1036647634 /nfs/dbraw/zinc/64/76/34/1036647634.db2.gz YKNASMJZNACXSG-UHFFFAOYSA-N 1 3 342.405 3.891 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000414344431 1036799047 /nfs/dbraw/zinc/79/90/47/1036799047.db2.gz ZMEWWRZBHSJJPO-CEMLEFRQSA-N 1 3 349.522 3.859 20 0 EHADHO CCC1(CNCc2cc(C)n(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000414361542 1036996189 /nfs/dbraw/zinc/99/61/89/1036996189.db2.gz CQMWLHHTNDYADR-UHFFFAOYSA-N 1 3 340.515 3.511 20 0 EHADHO COc1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312259678 1037152450 /nfs/dbraw/zinc/15/24/50/1037152450.db2.gz UEGGBWVFOUTEDP-LPHOPBHVSA-N 1 3 342.458 3.835 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000423295931 1037205526 /nfs/dbraw/zinc/20/55/26/1037205526.db2.gz XURMFQMCJQOZDG-UGSOOPFHSA-N 1 3 326.440 3.501 20 0 EHADHO COC[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942429 1037736378 /nfs/dbraw/zinc/73/63/78/1037736378.db2.gz ANCYQIKHGMHRPM-DLBZAZTESA-N 1 3 326.912 3.984 20 0 EHADHO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182999598 1038658947 /nfs/dbraw/zinc/65/89/47/1038658947.db2.gz WMVIHKOYOULSKN-APWZRJJASA-N 1 3 334.504 3.757 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000539070970 1038669432 /nfs/dbraw/zinc/66/94/32/1038669432.db2.gz ATARXNJDTMKMMK-ZRGWGRIASA-N 1 3 336.907 3.806 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000539081459 1038675242 /nfs/dbraw/zinc/67/52/42/1038675242.db2.gz LBHZLYNINDCCFY-XLIONFOSSA-N 1 3 344.499 3.702 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000539081459 1038675248 /nfs/dbraw/zinc/67/52/48/1038675248.db2.gz LBHZLYNINDCCFY-XLIONFOSSA-N 1 3 344.499 3.702 20 0 EHADHO C[NH2+]CCC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000261646171 1038866454 /nfs/dbraw/zinc/86/64/54/1038866454.db2.gz AOZGLGBNYCYOOX-UHFFFAOYSA-N 1 3 338.499 3.671 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000552253706 1039133720 /nfs/dbraw/zinc/13/37/20/1039133720.db2.gz QMEDCSLBTQELQQ-IPMKNSEASA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000552253706 1039133723 /nfs/dbraw/zinc/13/37/23/1039133723.db2.gz QMEDCSLBTQELQQ-IPMKNSEASA-N 1 3 346.515 3.837 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1OC ZINC000552253706 1039133731 /nfs/dbraw/zinc/13/37/31/1039133731.db2.gz QMEDCSLBTQELQQ-IPMKNSEASA-N 1 3 346.515 3.837 20 0 EHADHO COc1ccc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898517779 1039187268 /nfs/dbraw/zinc/18/72/68/1039187268.db2.gz SQLWSGLKCRYNTQ-QYZOEREBSA-N 1 3 340.467 3.679 20 0 EHADHO COc1ccc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000898517779 1039187278 /nfs/dbraw/zinc/18/72/78/1039187278.db2.gz SQLWSGLKCRYNTQ-QYZOEREBSA-N 1 3 340.467 3.679 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCCC[C@H]1C ZINC000480609815 1039749477 /nfs/dbraw/zinc/74/94/77/1039749477.db2.gz KETWYJLHZXGBQB-VMBXEPDQSA-N 1 3 343.559 3.750 20 0 EHADHO CCCN1CCC([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000152950158 1039816342 /nfs/dbraw/zinc/81/63/42/1039816342.db2.gz ZTVIAGGETUMEPU-OAQYLSRUSA-N 1 3 329.532 3.505 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667786524 1040191881 /nfs/dbraw/zinc/19/18/81/1040191881.db2.gz SYZYSJGPZRXQFC-HBGVWJBISA-N 1 3 328.500 3.718 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667786524 1040191891 /nfs/dbraw/zinc/19/18/91/1040191891.db2.gz SYZYSJGPZRXQFC-HBGVWJBISA-N 1 3 328.500 3.718 20 0 EHADHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1Br ZINC000553661132 1040287964 /nfs/dbraw/zinc/28/79/64/1040287964.db2.gz MBWGLLDVJQMRFO-UHFFFAOYSA-N 1 3 337.305 3.722 20 0 EHADHO CC1CC[NH+](Cc2cccc(CN[C@@H]3CO[C@H](C4CC4)C3)c2)CC1 ZINC000667853840 1040576260 /nfs/dbraw/zinc/57/62/60/1040576260.db2.gz QIGMPXSBXWXHPB-SFTDATJTSA-N 1 3 328.500 3.576 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000481294185 1040619013 /nfs/dbraw/zinc/61/90/13/1040619013.db2.gz KBNJGZBTLSSNQV-SZVBFZGTSA-N 1 3 334.479 3.792 20 0 EHADHO C(=C\c1ccncc1)\CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988615 1040625086 /nfs/dbraw/zinc/62/50/86/1040625086.db2.gz QECGLOAECNSUKM-YKVJVKFWSA-N 1 3 327.497 3.658 20 0 EHADHO C(=C\c1ccncc1)\CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988615 1040625092 /nfs/dbraw/zinc/62/50/92/1040625092.db2.gz QECGLOAECNSUKM-YKVJVKFWSA-N 1 3 327.497 3.658 20 0 EHADHO C(=C/c1ccncc1)\C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000487278872 1040873454 /nfs/dbraw/zinc/87/34/54/1040873454.db2.gz ULXPWODPCLIDRL-ZCWHJJKTSA-N 1 3 333.479 3.880 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000162880741 1041045134 /nfs/dbraw/zinc/04/51/34/1041045134.db2.gz NSVHTUNOCHZLDK-KSZLIROESA-N 1 3 334.504 3.625 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCSc1ccc(F)cc1F)C2 ZINC000660542420 1041645423 /nfs/dbraw/zinc/64/54/23/1041645423.db2.gz QGTCIVZJLFGTKO-YIONKMFJSA-N 1 3 326.456 3.614 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCSc1ccc(F)cc1F)C2 ZINC000660542420 1041645432 /nfs/dbraw/zinc/64/54/32/1041645432.db2.gz QGTCIVZJLFGTKO-YIONKMFJSA-N 1 3 326.456 3.614 20 0 EHADHO C[C@@H](NCc1ccc(Br)c(F)c1F)C1CC[NH+](C)CC1 ZINC000624162043 1042411991 /nfs/dbraw/zinc/41/19/91/1042411991.db2.gz PGAKGVNCJCFYNZ-SNVBAGLBSA-N 1 3 347.247 3.547 20 0 EHADHO Fc1ccc(SCCN2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000662275065 1042651145 /nfs/dbraw/zinc/65/11/45/1042651145.db2.gz QUNYGLWKZSUGHW-MRXNPFEDSA-N 1 3 326.456 3.521 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663468903 1042893999 /nfs/dbraw/zinc/89/39/99/1042893999.db2.gz NGTQLMBJMBMTNH-PXNSSMCTSA-N 1 3 330.516 3.728 20 0 EHADHO c1ccc([C@H](C[C@@H]2CCOC2)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469524 1042900001 /nfs/dbraw/zinc/90/00/01/1042900001.db2.gz QARBGGOVPNLVHC-VWPQPMDRSA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@@H]2CCOC2)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469524 1042900006 /nfs/dbraw/zinc/90/00/06/1042900006.db2.gz QARBGGOVPNLVHC-VWPQPMDRSA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663469524 1042900009 /nfs/dbraw/zinc/90/00/09/1042900009.db2.gz QARBGGOVPNLVHC-VWPQPMDRSA-N 1 3 342.527 3.866 20 0 EHADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925778599 1042909987 /nfs/dbraw/zinc/90/99/87/1042909987.db2.gz JVVSIKASLUFBMQ-ZBFHGGJFSA-N 1 3 326.431 3.617 20 0 EHADHO CO[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000643467521 1042941297 /nfs/dbraw/zinc/94/12/97/1042941297.db2.gz PEQAQACQNBECSY-SGTLLEGYSA-N 1 3 333.863 3.540 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000162845945 1043801032 /nfs/dbraw/zinc/80/10/32/1043801032.db2.gz JENVDAAQCMJVOL-ZNMIVQPWSA-N 1 3 326.431 3.505 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000153593832 1125635296 /nfs/dbraw/zinc/63/52/96/1125635296.db2.gz HTYCQUPTQVAZAU-GPMSIDNRSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000153593832 1125635301 /nfs/dbraw/zinc/63/53/01/1125635301.db2.gz HTYCQUPTQVAZAU-GPMSIDNRSA-N 1 3 337.939 3.795 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1Cl ZINC000153593832 1125635303 /nfs/dbraw/zinc/63/53/03/1125635303.db2.gz HTYCQUPTQVAZAU-GPMSIDNRSA-N 1 3 337.939 3.795 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071541 1126839231 /nfs/dbraw/zinc/83/92/31/1126839231.db2.gz ROTZLIYILROQMH-QKNQBKEWSA-N 1 3 330.516 3.864 20 0 EHADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071541 1126839234 /nfs/dbraw/zinc/83/92/34/1126839234.db2.gz ROTZLIYILROQMH-QKNQBKEWSA-N 1 3 330.516 3.864 20 0 EHADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000339071541 1126839235 /nfs/dbraw/zinc/83/92/35/1126839235.db2.gz ROTZLIYILROQMH-QKNQBKEWSA-N 1 3 330.516 3.864 20 0 EHADHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515963 1126973256 /nfs/dbraw/zinc/97/32/56/1126973256.db2.gz XUEJOPPDXARWIQ-VQTJNVASSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC000177107087 1126974472 /nfs/dbraw/zinc/97/44/72/1126974472.db2.gz BHGYRZBLAXIKEX-HOTGVXAUSA-N 1 3 332.513 3.880 20 0 EHADHO C[C@@H]1C[C@H](NC2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430723 1127155087 /nfs/dbraw/zinc/15/50/87/1127155087.db2.gz LMKPLEKAOMDCJP-CZUORRHYSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H]1C[C@H](NC2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430723 1127155089 /nfs/dbraw/zinc/15/50/89/1127155089.db2.gz LMKPLEKAOMDCJP-CZUORRHYSA-N 1 3 337.305 3.901 20 0 EHADHO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000623896179 1127208818 /nfs/dbraw/zinc/20/88/18/1127208818.db2.gz LDRSCLXTBODUAP-RXVVDRJESA-N 1 3 330.516 3.845 20 0 EHADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc(C)ccc1C ZINC000623926351 1127214605 /nfs/dbraw/zinc/21/46/05/1127214605.db2.gz DMWOJHZNEDDEGZ-HXUWFJFHSA-N 1 3 341.499 3.880 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCc3cc(F)ccc32)c1 ZINC000182487754 1127332942 /nfs/dbraw/zinc/33/29/42/1127332942.db2.gz QPHFRNIGJBFHNV-NRFANRHFSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H](CC1CCCCC1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183331684 1127372801 /nfs/dbraw/zinc/37/28/01/1127372801.db2.gz DIRNQWIEKIQOMB-PZJWPPBQSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@@H](CC1CCCCC1)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183331684 1127372805 /nfs/dbraw/zinc/37/28/05/1127372805.db2.gz DIRNQWIEKIQOMB-PZJWPPBQSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921546662 1127723113 /nfs/dbraw/zinc/72/31/13/1127723113.db2.gz XUGBJZKFRLBGRO-CALCHBBNSA-N 1 3 339.483 3.555 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921546662 1127723116 /nfs/dbraw/zinc/72/31/16/1127723116.db2.gz XUGBJZKFRLBGRO-CALCHBBNSA-N 1 3 339.483 3.555 20 0 EHADHO c1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)n(C2CCC2)n1 ZINC000921619776 1127850984 /nfs/dbraw/zinc/85/09/84/1127850984.db2.gz PDXWQPMGZZHWQM-IBGZPJMESA-N 1 3 338.499 3.610 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1Br ZINC000715562298 1128572461 /nfs/dbraw/zinc/57/24/61/1128572461.db2.gz OEFJHBNSCXHHNQ-CABCVRRESA-N 1 3 325.294 3.720 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000542482740 1120565256 /nfs/dbraw/zinc/56/52/56/1120565256.db2.gz AEMJDNHETCIULM-VBCWZRPASA-N 1 3 342.527 3.692 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000191465616 1120674893 /nfs/dbraw/zinc/67/48/93/1120674893.db2.gz BCLYFJYWIUJJAS-NRFANRHFSA-N 1 3 335.580 3.837 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000191465616 1120674896 /nfs/dbraw/zinc/67/48/96/1120674896.db2.gz BCLYFJYWIUJJAS-NRFANRHFSA-N 1 3 335.580 3.837 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053815 1122795186 /nfs/dbraw/zinc/79/51/86/1122795186.db2.gz YJRHQILZBCIWCH-ZYSHUDEJSA-N 1 3 338.451 3.901 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053815 1122795189 /nfs/dbraw/zinc/79/51/89/1122795189.db2.gz YJRHQILZBCIWCH-ZYSHUDEJSA-N 1 3 338.451 3.901 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000763433396 1122995670 /nfs/dbraw/zinc/99/56/70/1122995670.db2.gz REBXURMNZAZTGW-DYESRHJHSA-N 1 3 348.506 3.836 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000763433396 1122995675 /nfs/dbraw/zinc/99/56/75/1122995675.db2.gz REBXURMNZAZTGW-DYESRHJHSA-N 1 3 348.506 3.836 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000556872227 1123162108 /nfs/dbraw/zinc/16/21/08/1123162108.db2.gz GYQCLUWMRWMIKK-OIISXLGYSA-N 1 3 342.405 3.676 20 0 EHADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000556872227 1123162110 /nfs/dbraw/zinc/16/21/10/1123162110.db2.gz GYQCLUWMRWMIKK-OIISXLGYSA-N 1 3 342.405 3.676 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000237668219 1123531971 /nfs/dbraw/zinc/53/19/71/1123531971.db2.gz XDFGTIPACUNOJN-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000245538592 1123869673 /nfs/dbraw/zinc/86/96/73/1123869673.db2.gz JGFJWHABVDIZEZ-GHTZIAJQSA-N 1 3 330.516 3.726 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000247038295 1124579973 /nfs/dbraw/zinc/57/99/73/1124579973.db2.gz OAODXDQZPJBJGB-HWWQOWPSSA-N 1 3 330.394 3.532 20 0 EHADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247168788 1124592172 /nfs/dbraw/zinc/59/21/72/1124592172.db2.gz YIFJXODWBVCNAP-KURKYZTESA-N 1 3 336.495 3.626 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1F ZINC000248862294 1124709639 /nfs/dbraw/zinc/70/96/39/1124709639.db2.gz GNTODUINTLKTBM-AEFFLSMTSA-N 1 3 336.495 3.723 20 0 EHADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1cc(-n2ccnc2)cs1 ZINC000543173053 1129312969 /nfs/dbraw/zinc/31/29/69/1129312969.db2.gz ZEVBIZLIJKITKC-QFBILLFUSA-N 1 3 346.544 3.924 20 0 EHADHO CS[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000922244914 1129394463 /nfs/dbraw/zinc/39/44/63/1129394463.db2.gz ZEHQVICDUPUOCL-OALUTQOASA-N 1 3 333.545 3.557 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000347880815 1129972430 /nfs/dbraw/zinc/97/24/30/1129972430.db2.gz QXXVLXAXLOLAHG-QZTJIDSGSA-N 1 3 340.515 3.953 20 0 EHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CCCN)C1CCCCC1 ZINC001172944381 1131915583 /nfs/dbraw/zinc/91/55/83/1131915583.db2.gz UGWAUOJJKCSSAL-MRXNPFEDSA-N 1 3 341.540 3.615 20 0 EHADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCCN)C1CCCCC1 ZINC001172944381 1131915588 /nfs/dbraw/zinc/91/55/88/1131915588.db2.gz UGWAUOJJKCSSAL-MRXNPFEDSA-N 1 3 341.540 3.615 20 0 EHADHO CC[NH+](CC)C1CCC(N(C)Cc2cn3ccc(C)cc3n2)CC1 ZINC001173117495 1131972654 /nfs/dbraw/zinc/97/26/54/1131972654.db2.gz OCBWCDWDEAEMCL-UHFFFAOYSA-N 1 3 328.504 3.728 20 0 EHADHO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](N)[C@@H](F)CC3)cn2)c1C ZINC001206196349 1132012415 /nfs/dbraw/zinc/01/24/15/1132012415.db2.gz BMMRJDBXNQWSDI-RBUKOAKNSA-N 1 3 327.447 3.627 20 0 EHADHO Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H](N)[C@@H](F)CC3)cn2)c1C ZINC001206196349 1132012417 /nfs/dbraw/zinc/01/24/17/1132012417.db2.gz BMMRJDBXNQWSDI-RBUKOAKNSA-N 1 3 327.447 3.627 20 0 EHADHO CCSC[C@@H](C)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001173293459 1132030493 /nfs/dbraw/zinc/03/04/93/1132030493.db2.gz ASZQRSLKAMGDRV-CQSZACIVSA-N 1 3 326.937 3.817 20 0 EHADHO Fc1cc2c(cc1F)CC(NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001173480201 1132075409 /nfs/dbraw/zinc/07/54/09/1132075409.db2.gz ROBHRARESQQVMR-HNNXBMFYSA-N 1 3 346.465 3.842 20 0 EHADHO Fc1cc2c(cc1F)CC([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001173480201 1132075415 /nfs/dbraw/zinc/07/54/15/1132075415.db2.gz ROBHRARESQQVMR-HNNXBMFYSA-N 1 3 346.465 3.842 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169162461 1132683256 /nfs/dbraw/zinc/68/32/56/1132683256.db2.gz SPDQNVISVWWGQW-QDMKHBRRSA-N 1 3 328.378 3.642 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1cccc(OC(F)(F)F)c1)C2 ZINC001169162461 1132683260 /nfs/dbraw/zinc/68/32/60/1132683260.db2.gz SPDQNVISVWWGQW-QDMKHBRRSA-N 1 3 328.378 3.642 20 0 EHADHO c1ccc(CN2CC=C(Nc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC001175505027 1132692831 /nfs/dbraw/zinc/69/28/31/1132692831.db2.gz LRWWYSJMXCPBIQ-UHFFFAOYSA-N 1 3 334.467 3.884 20 0 EHADHO CCC[C@@](C)([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC001176891184 1133007718 /nfs/dbraw/zinc/00/77/18/1133007718.db2.gz ACXZFACGEHCNPE-OAQYLSRUSA-N 1 3 331.548 3.708 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001179463213 1133253519 /nfs/dbraw/zinc/25/35/19/1133253519.db2.gz JBJMXHDHKMLJGT-SESVDKBCSA-N 1 3 341.543 3.887 20 0 EHADHO Cc1c(Cl)cccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC001180072901 1133325180 /nfs/dbraw/zinc/32/51/80/1133325180.db2.gz XQPYMYRYKVUIHA-UHFFFAOYSA-N 1 3 336.907 3.725 20 0 EHADHO COC[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271083 1133352260 /nfs/dbraw/zinc/35/22/60/1133352260.db2.gz BKXHOENNRQSCDZ-IFMALSPDSA-N 1 3 344.543 3.893 20 0 EHADHO COC[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271083 1133352264 /nfs/dbraw/zinc/35/22/64/1133352264.db2.gz BKXHOENNRQSCDZ-IFMALSPDSA-N 1 3 344.543 3.893 20 0 EHADHO CC[NH+]1CCC(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)CC1 ZINC001180353519 1133360247 /nfs/dbraw/zinc/36/02/47/1133360247.db2.gz JRQGZTZPHMPLFG-UHFFFAOYSA-N 1 3 349.494 3.597 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H](c2ccccc2)C2CC2)CC1 ZINC001182044116 1133566062 /nfs/dbraw/zinc/56/60/62/1133566062.db2.gz VHICVOVXGHPRGE-ATKRNPRHSA-N 1 3 342.527 3.803 20 0 EHADHO CCOC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716692371 1134989732 /nfs/dbraw/zinc/98/97/32/1134989732.db2.gz LKCBSFFIUUGHLG-TUFLPTIASA-N 1 3 330.516 3.690 20 0 EHADHO CC(C)[NH+]1CCC(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809755115 1135887002 /nfs/dbraw/zinc/88/70/02/1135887002.db2.gz PRVOJTLMUXRSLH-KRWDZBQOSA-N 1 3 345.314 3.879 20 0 EHADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810698346 1135997909 /nfs/dbraw/zinc/99/79/09/1135997909.db2.gz ZYSFFBXXDBLGPQ-FQEVSTJZSA-N 1 3 349.494 3.679 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414068 1136253478 /nfs/dbraw/zinc/25/34/78/1136253478.db2.gz UKCZAXGVRGJVMY-XWSJACJDSA-N 1 3 336.907 3.614 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850414068 1136253480 /nfs/dbraw/zinc/25/34/80/1136253480.db2.gz UKCZAXGVRGJVMY-XWSJACJDSA-N 1 3 336.907 3.614 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)ccc1OC ZINC000850480933 1136267171 /nfs/dbraw/zinc/26/71/71/1136267171.db2.gz CTCJAMAGPVEPDJ-MAUKXSAKSA-N 1 3 334.504 3.755 20 0 EHADHO C[C@H](CSC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516675 1136276091 /nfs/dbraw/zinc/27/60/91/1136276091.db2.gz JPADBJYWJXQPRA-MRXNPFEDSA-N 1 3 335.561 3.803 20 0 EHADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850557501 1136285451 /nfs/dbraw/zinc/28/54/51/1136285451.db2.gz OLPVOAWYHXRVCW-INIZCTEOSA-N 1 3 345.314 3.879 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657215 1136486069 /nfs/dbraw/zinc/48/60/69/1136486069.db2.gz NMRIPPFTTOGTBG-FUHWJXTLSA-N 1 3 345.487 3.558 20 0 EHADHO c1ccc([C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240612 1136521620 /nfs/dbraw/zinc/52/16/20/1136521620.db2.gz PHZZKTPRPMNDNT-DENIHFKCSA-N 1 3 342.527 3.866 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000856559477 1136795125 /nfs/dbraw/zinc/79/51/25/1136795125.db2.gz ABHXVJSZMFFBFJ-OAQYLSRUSA-N 1 3 339.483 3.575 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000856559477 1136795128 /nfs/dbraw/zinc/79/51/28/1136795128.db2.gz ABHXVJSZMFFBFJ-OAQYLSRUSA-N 1 3 339.483 3.575 20 0 EHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000817950171 1136851059 /nfs/dbraw/zinc/85/10/59/1136851059.db2.gz XCRVMKDLZMPBOD-QGZVFWFLSA-N 1 3 349.400 3.769 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)nc2)cc1 ZINC000817962368 1136852168 /nfs/dbraw/zinc/85/21/68/1136852168.db2.gz IJWPXJKBTZNOAB-RYUDHWBXSA-N 1 3 334.261 3.715 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000818959355 1136895715 /nfs/dbraw/zinc/89/57/15/1136895715.db2.gz ILLRKCJUGBIZKB-PGRDOPGGSA-N 1 3 338.495 3.884 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000818959355 1136895718 /nfs/dbraw/zinc/89/57/18/1136895718.db2.gz ILLRKCJUGBIZKB-PGRDOPGGSA-N 1 3 338.495 3.884 20 0 EHADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cccc2ccccc21 ZINC000819134919 1136912392 /nfs/dbraw/zinc/91/23/92/1136912392.db2.gz PJKFSGODRVBKJV-QFIPXVFZSA-N 1 3 338.495 3.870 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858352334 1136960536 /nfs/dbraw/zinc/96/05/36/1136960536.db2.gz YZTLXEXPHGFBRV-MRXNPFEDSA-N 1 3 325.456 3.560 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858352334 1136960538 /nfs/dbraw/zinc/96/05/38/1136960538.db2.gz YZTLXEXPHGFBRV-MRXNPFEDSA-N 1 3 325.456 3.560 20 0 EHADHO COCC1([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000777239802 1137136155 /nfs/dbraw/zinc/13/61/55/1137136155.db2.gz YIZSNXJEEHIKFO-MRXNPFEDSA-N 1 3 332.488 3.511 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NCC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000339070543 1137241671 /nfs/dbraw/zinc/24/16/71/1137241671.db2.gz ZOFMRJXIEZNXPW-FQEVSTJZSA-N 1 3 328.500 3.607 20 0 EHADHO Cc1cc(Br)cc(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001144222029 1137254865 /nfs/dbraw/zinc/25/48/65/1137254865.db2.gz LRVUUVXCINJERQ-UHFFFAOYSA-N 1 3 337.305 3.675 20 0 EHADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCO1 ZINC000865661627 1137302591 /nfs/dbraw/zinc/30/25/91/1137302591.db2.gz VOAHIHOLTDJNQK-AYWYSENESA-N 1 3 330.516 3.549 20 0 EHADHO c1cc2cccc(CN3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144717432 1137334733 /nfs/dbraw/zinc/33/47/33/1137334733.db2.gz QYPIKNKNBDUEAM-NHCUHLMSSA-N 1 3 331.463 3.732 20 0 EHADHO C[C@@H]1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000716619614 1137488022 /nfs/dbraw/zinc/48/80/22/1137488022.db2.gz GDXPABBADIDLFZ-VSHGRSIOSA-N 1 3 328.500 3.585 20 0 EHADHO C[C@@H](CC(F)(F)F)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624478 1137488055 /nfs/dbraw/zinc/48/80/55/1137488055.db2.gz HJBBQQYASPQFJH-HJWJTTGWSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CC(F)(F)F)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624478 1137488057 /nfs/dbraw/zinc/48/80/57/1137488057.db2.gz HJBBQQYASPQFJH-HJWJTTGWSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624478 1137488058 /nfs/dbraw/zinc/48/80/58/1137488058.db2.gz HJBBQQYASPQFJH-HJWJTTGWSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505291 1137494723 /nfs/dbraw/zinc/49/47/23/1137494723.db2.gz HVTBKFLLABXLTM-DZGCQCFKSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505291 1137494724 /nfs/dbraw/zinc/49/47/24/1137494724.db2.gz HVTBKFLLABXLTM-DZGCQCFKSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505291 1137494725 /nfs/dbraw/zinc/49/47/25/1137494725.db2.gz HVTBKFLLABXLTM-DZGCQCFKSA-N 1 3 340.433 3.815 20 0 EHADHO Cc1cccc2c1CC[C@@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)C2 ZINC001171559672 1137498143 /nfs/dbraw/zinc/49/81/43/1137498143.db2.gz KAKMVVHPKXUBTP-JOCHJYFZSA-N 1 3 349.522 3.749 20 0 EHADHO CCCc1noc([C@@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641410 1137504609 /nfs/dbraw/zinc/50/46/09/1137504609.db2.gz GNRWVHWOLMVJGF-OAHLLOKOSA-N 1 3 348.535 3.853 20 0 EHADHO CCCc1noc([C@@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641410 1137504610 /nfs/dbraw/zinc/50/46/10/1137504610.db2.gz GNRWVHWOLMVJGF-OAHLLOKOSA-N 1 3 348.535 3.853 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001171963280 1137519903 /nfs/dbraw/zinc/51/99/03/1137519903.db2.gz FQUZJIVYKGHUFT-CQSZACIVSA-N 1 3 326.406 3.664 20 0 EHADHO CN([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172090687 1137531933 /nfs/dbraw/zinc/53/19/33/1137531933.db2.gz WBKDTTBLHFNVFM-MHTWAQMVSA-N 1 3 328.500 3.683 20 0 EHADHO CN([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172090687 1137531935 /nfs/dbraw/zinc/53/19/35/1137531935.db2.gz WBKDTTBLHFNVFM-MHTWAQMVSA-N 1 3 328.500 3.683 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001172127145 1137534918 /nfs/dbraw/zinc/53/49/18/1137534918.db2.gz HCYNETFUYLOEMY-ACDBMABISA-N 1 3 340.511 3.683 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001172127145 1137534920 /nfs/dbraw/zinc/53/49/20/1137534920.db2.gz HCYNETFUYLOEMY-ACDBMABISA-N 1 3 340.511 3.683 20 0 EHADHO c1csc(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172069826 1137535257 /nfs/dbraw/zinc/53/52/57/1137535257.db2.gz XWJMQQTYBQCRKS-REPLKXPHSA-N 1 3 341.524 3.861 20 0 EHADHO c1csc(CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172069826 1137535259 /nfs/dbraw/zinc/53/52/59/1137535259.db2.gz XWJMQQTYBQCRKS-REPLKXPHSA-N 1 3 341.524 3.861 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001172248681 1137544692 /nfs/dbraw/zinc/54/46/92/1137544692.db2.gz MGUXSUNLZJGHEB-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031560 1137566440 /nfs/dbraw/zinc/56/64/40/1137566440.db2.gz KLCFQORGFKTVMK-RTWAWAEBSA-N 1 3 342.527 3.632 20 0 EHADHO COc1ccc(C(C)(C)NCc2cc3c(s2)CC[NH2+]C3)cc1F ZINC000873212076 1137594134 /nfs/dbraw/zinc/59/41/34/1137594134.db2.gz GVYZQMKNGVFUIB-UHFFFAOYSA-N 1 3 334.460 3.566 20 0 EHADHO COCc1cc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1OC ZINC000125957143 1137652180 /nfs/dbraw/zinc/65/21/80/1137652180.db2.gz CBPCNYNQUGOGKM-DNVCBOLYSA-N 1 3 336.520 3.859 20 0 EHADHO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000876989770 1137667206 /nfs/dbraw/zinc/66/72/06/1137667206.db2.gz FGSPUFYHLCOGNI-QMHKHESXSA-N 1 3 344.480 3.954 20 0 EHADHO ClC1(Cl)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000877033369 1137668267 /nfs/dbraw/zinc/66/82/67/1137668267.db2.gz XGTIGRJZSHNSBA-XYTVBORESA-N 1 3 339.310 3.965 20 0 EHADHO ClC1(Cl)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000877033369 1137668268 /nfs/dbraw/zinc/66/82/68/1137668268.db2.gz XGTIGRJZSHNSBA-XYTVBORESA-N 1 3 339.310 3.965 20 0 EHADHO COCc1c(C)cc(C)c(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000883020066 1137841732 /nfs/dbraw/zinc/84/17/32/1137841732.db2.gz OOGVLWUJCXIYGR-YQQQUEKLSA-N 1 3 330.516 3.863 20 0 EHADHO COCc1c(C)cc(C)c(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000883020066 1137841733 /nfs/dbraw/zinc/84/17/33/1137841733.db2.gz OOGVLWUJCXIYGR-YQQQUEKLSA-N 1 3 330.516 3.863 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331664104 1137916326 /nfs/dbraw/zinc/91/63/26/1137916326.db2.gz YXIATXJCINNBNP-MJGOQNOKSA-N 1 3 329.488 3.599 20 0 EHADHO Cc1ccc2c(c1)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000331664104 1137916327 /nfs/dbraw/zinc/91/63/27/1137916327.db2.gz YXIATXJCINNBNP-MJGOQNOKSA-N 1 3 329.488 3.599 20 0 EHADHO COc1nc2ccccc2cc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001137207988 1137949929 /nfs/dbraw/zinc/94/99/29/1137949929.db2.gz GPHPFUJBPSWUCH-UHFFFAOYSA-N 1 3 339.483 3.551 20 0 EHADHO OCCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC1 ZINC000886534982 1138091915 /nfs/dbraw/zinc/09/19/15/1138091915.db2.gz SEXGYRUJLDNMCS-ACRUOGEOSA-N 1 3 342.527 3.572 20 0 EHADHO COC1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886536212 1138092547 /nfs/dbraw/zinc/09/25/47/1138092547.db2.gz CYYCIJOLGOVIQK-BEIKLPRESA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090400440 1138210526 /nfs/dbraw/zinc/21/05/26/1138210526.db2.gz OEYHFYMARDKXTR-FVQBIDKESA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400440 1138210527 /nfs/dbraw/zinc/21/05/27/1138210527.db2.gz OEYHFYMARDKXTR-FVQBIDKESA-N 1 3 337.305 3.597 20 0 EHADHO C[C@@H](Cc1ccccc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090400441 1138210581 /nfs/dbraw/zinc/21/05/81/1138210581.db2.gz OEYHFYMARDKXTR-CWRNSKLLSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@@H](Cc1ccccc1Br)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090400441 1138210584 /nfs/dbraw/zinc/21/05/84/1138210584.db2.gz OEYHFYMARDKXTR-CWRNSKLLSA-N 1 3 337.305 3.597 20 0 EHADHO COc1cc(C)cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000090723882 1138213043 /nfs/dbraw/zinc/21/30/43/1138213043.db2.gz SPBDDTSFZWTBLU-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333195 1138218441 /nfs/dbraw/zinc/21/84/41/1138218441.db2.gz VOLXSNMOGCVJGT-CYBMUJFWSA-N 1 3 334.895 3.609 20 0 EHADHO C[C@H](N[C@H]1CCCc2occc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000152237466 1139080149 /nfs/dbraw/zinc/08/01/49/1139080149.db2.gz BENMWSGBPBIEHE-KXBFYZLASA-N 1 3 328.456 3.948 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388429 1139088265 /nfs/dbraw/zinc/08/82/65/1139088265.db2.gz DUDLHODVNHBMSK-OLZOCXBDSA-N 1 3 328.378 3.720 20 0 EHADHO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1F ZINC000187124163 1140239995 /nfs/dbraw/zinc/23/99/95/1140239995.db2.gz MOVDHNXVDSRGLY-OAHLLOKOSA-N 1 3 336.495 3.865 20 0 EHADHO C[C@H]1COCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000192542211 1140537223 /nfs/dbraw/zinc/53/72/23/1140537223.db2.gz IQPARIZLDUUCCA-KXBFYZLASA-N 1 3 336.907 3.567 20 0 EHADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835580 1141003801 /nfs/dbraw/zinc/00/38/01/1141003801.db2.gz RXHASIMEZNGCGP-KGLIPLIRSA-N 1 3 342.405 3.763 20 0 EHADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000268835580 1141003806 /nfs/dbraw/zinc/00/38/06/1141003806.db2.gz RXHASIMEZNGCGP-KGLIPLIRSA-N 1 3 342.405 3.763 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000268866563 1141012360 /nfs/dbraw/zinc/01/23/60/1141012360.db2.gz NVKLJADDDKOWMR-GCJKJVERSA-N 1 3 341.543 3.504 20 0 EHADHO CCC[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)cc1 ZINC000268901260 1141021311 /nfs/dbraw/zinc/02/13/11/1141021311.db2.gz RAXRQUUVMYRQFW-FQEVSTJZSA-N 1 3 346.515 3.771 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000268947630 1141032656 /nfs/dbraw/zinc/03/26/56/1141032656.db2.gz BOLWBDPLUNYMFT-QGZVFWFLSA-N 1 3 340.467 3.586 20 0 EHADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2cccs2)cc1 ZINC000268973600 1141037888 /nfs/dbraw/zinc/03/78/88/1141037888.db2.gz IRVOQSBGDCPGCP-OAHLLOKOSA-N 1 3 330.497 3.522 20 0 EHADHO Cc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000269076404 1141061429 /nfs/dbraw/zinc/06/14/29/1141061429.db2.gz NOCIAVCOEVCPME-GOSISDBHSA-N 1 3 338.495 3.803 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000269076404 1141061436 /nfs/dbraw/zinc/06/14/36/1141061436.db2.gz NOCIAVCOEVCPME-GOSISDBHSA-N 1 3 338.495 3.803 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000271497493 1141381204 /nfs/dbraw/zinc/38/12/04/1141381204.db2.gz LMMGGGVQONCNHJ-ZOCIIQOWSA-N 1 3 336.907 3.759 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC)cc1 ZINC000271558763 1141396265 /nfs/dbraw/zinc/39/62/65/1141396265.db2.gz WHSGTPMJZQVNJT-HBMCJLEFSA-N 1 3 346.515 3.504 20 0 EHADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000035010339 213004258 /nfs/dbraw/zinc/00/42/58/213004258.db2.gz BKALWEUGQRWECH-MRXNPFEDSA-N 1 3 325.294 3.974 20 0 EHADHO COCCSc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000459411628 1032081705 /nfs/dbraw/zinc/08/17/05/1032081705.db2.gz QPVBEAODHUQFBW-HNNXBMFYSA-N 1 3 334.529 3.703 20 0 EHADHO Cc1ncc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000339281657 1014150111 /nfs/dbraw/zinc/15/01/11/1014150111.db2.gz IBWKPTPCAAKNGF-UHFFFAOYSA-N 1 3 346.478 3.803 20 0 EHADHO C[C@H](NCc1ccc2cnn(C)c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579779400 1014462980 /nfs/dbraw/zinc/46/29/80/1014462980.db2.gz XASHQXHTCQNRFP-UWJYYQICSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H](NCc1ccc2cnn(C)c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579779400 1014462985 /nfs/dbraw/zinc/46/29/85/1014462985.db2.gz XASHQXHTCQNRFP-UWJYYQICSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000579779400 1014462990 /nfs/dbraw/zinc/46/29/90/1014462990.db2.gz XASHQXHTCQNRFP-UWJYYQICSA-N 1 3 348.494 3.574 20 0 EHADHO CCCN(CCN1CCCCC1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904592494 1032146409 /nfs/dbraw/zinc/14/64/09/1032146409.db2.gz CBMNVCYIVGTUOY-UHFFFAOYSA-N 1 3 346.519 3.610 20 0 EHADHO C1C[C@@H]([C@@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)CO1 ZINC000466343546 1016669670 /nfs/dbraw/zinc/66/96/70/1016669670.db2.gz MCJZVJPJZBUTDP-QWFCFKBJSA-N 1 3 334.548 3.968 20 0 EHADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000376665419 1016966135 /nfs/dbraw/zinc/96/61/35/1016966135.db2.gz UMJJJMDIPVJUFJ-KRWDZBQOSA-N 1 3 326.488 3.617 20 0 EHADHO C[N@H+]1CCCC[C@H]1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000376665419 1016966146 /nfs/dbraw/zinc/96/61/46/1016966146.db2.gz UMJJJMDIPVJUFJ-KRWDZBQOSA-N 1 3 326.488 3.617 20 0 EHADHO Fc1cccc(F)c1-c1ncc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000449074292 1032160674 /nfs/dbraw/zinc/16/06/74/1032160674.db2.gz KFTISZFCUOHFEG-LBPRGKRZSA-N 1 3 349.450 3.662 20 0 EHADHO C[C@H](CN1CCCCC1)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449079438 1032166958 /nfs/dbraw/zinc/16/69/58/1032166958.db2.gz YVRFFHFQKHRHPR-UXHICEINSA-N 1 3 343.559 3.546 20 0 EHADHO C[C@H]1CSC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449124496 1032217610 /nfs/dbraw/zinc/21/76/10/1032217610.db2.gz GOZKAUIDGPQDEQ-KBXCAEBGSA-N 1 3 338.948 3.893 20 0 EHADHO Fc1ccccc1[C@@H]1C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000459657617 1032381769 /nfs/dbraw/zinc/38/17/69/1032381769.db2.gz NSCYJIRAZUJXAZ-RBBKRZOGSA-N 1 3 338.470 3.978 20 0 EHADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccccc2Oc2cccnc2)C1 ZINC000118841966 1032424346 /nfs/dbraw/zinc/42/43/46/1032424346.db2.gz VYEYRBNJQSVMGC-QGZVFWFLSA-N 1 3 325.456 3.648 20 0 EHADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccccc2Oc2cccnc2)C1 ZINC000118841966 1032424354 /nfs/dbraw/zinc/42/43/54/1032424354.db2.gz VYEYRBNJQSVMGC-QGZVFWFLSA-N 1 3 325.456 3.648 20 0 EHADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000449317072 1032450769 /nfs/dbraw/zinc/45/07/69/1032450769.db2.gz AMWZOZFOHMCFCC-SFHVURJKSA-N 1 3 348.494 3.520 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024588 1032489585 /nfs/dbraw/zinc/48/95/85/1032489585.db2.gz QUJVQKOMLFZVEN-YLJYHZDGSA-N 1 3 339.483 3.796 20 0 EHADHO CC[C@@H](COCC(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000449379660 1032505477 /nfs/dbraw/zinc/50/54/77/1032505477.db2.gz JGOZJFAKOVXTFZ-AWEZNQCLSA-N 1 3 336.442 3.731 20 0 EHADHO CC[C@@H](COCC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449379660 1032505484 /nfs/dbraw/zinc/50/54/84/1032505484.db2.gz JGOZJFAKOVXTFZ-AWEZNQCLSA-N 1 3 336.442 3.731 20 0 EHADHO CC(C)Oc1cccc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655690839 1017397842 /nfs/dbraw/zinc/39/78/42/1017397842.db2.gz MBFPRJWDNHDBQQ-DYESRHJHSA-N 1 3 346.515 3.768 20 0 EHADHO CC(C)Oc1cccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655690843 1017398176 /nfs/dbraw/zinc/39/81/76/1017398176.db2.gz MBFPRJWDNHDBQQ-UTKZUKDTSA-N 1 3 346.515 3.768 20 0 EHADHO COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000415076584 1017510123 /nfs/dbraw/zinc/51/01/23/1017510123.db2.gz CXMFGPABAUPVPX-PZJWPPBQSA-N 1 3 342.458 3.850 20 0 EHADHO CC(C)C[C@@H](N)C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000415078598 1017519361 /nfs/dbraw/zinc/51/93/61/1017519361.db2.gz IYQMIHBGCSYLOZ-OAQYLSRUSA-N 1 3 326.484 3.866 20 0 EHADHO CC(C)CCN1CCC([NH2+]CCc2ccnn2-c2ccccc2)CC1 ZINC000926877996 1017939720 /nfs/dbraw/zinc/93/97/20/1017939720.db2.gz IBWUYLRIJPPQPZ-UHFFFAOYSA-N 1 3 340.515 3.515 20 0 EHADHO CC(C)CC[NH+]1CCC(NCCc2ccnn2-c2ccccc2)CC1 ZINC000926877996 1017939729 /nfs/dbraw/zinc/93/97/29/1017939729.db2.gz IBWUYLRIJPPQPZ-UHFFFAOYSA-N 1 3 340.515 3.515 20 0 EHADHO CC[C@@]1(C[NH2+]C2CCN(C(C)(C)C)CC2)OCCc2ccccc21 ZINC000377798836 1018388283 /nfs/dbraw/zinc/38/82/83/1018388283.db2.gz NKPFIZHKMIKWSY-NRFANRHFSA-N 1 3 330.516 3.717 20 0 EHADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3ccc4cnccc4c3)C2)cc1 ZINC000683769858 1018458348 /nfs/dbraw/zinc/45/83/48/1018458348.db2.gz OSRMIFFXRMEHSX-NRFANRHFSA-N 1 3 345.490 3.889 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340583110 1018586851 /nfs/dbraw/zinc/58/68/51/1018586851.db2.gz GFKFYGGYRPNIIP-HOCLYGCPSA-N 1 3 345.314 3.927 20 0 EHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)OC)cc1 ZINC000340603335 1018640903 /nfs/dbraw/zinc/64/09/03/1018640903.db2.gz KADOJYLRNHKDGL-UHFFFAOYSA-N 1 3 340.467 3.557 20 0 EHADHO CCN1CCN(CCC[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000580258947 1018883079 /nfs/dbraw/zinc/88/30/79/1018883079.db2.gz PXVCPMWCGJUOLE-UHFFFAOYSA-N 1 3 343.559 3.578 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000449561621 1032811334 /nfs/dbraw/zinc/81/13/34/1032811334.db2.gz WGIVZBYXACKULR-HZTRTUMWSA-N 1 3 349.906 3.580 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000449561621 1032811349 /nfs/dbraw/zinc/81/13/49/1032811349.db2.gz WGIVZBYXACKULR-HZTRTUMWSA-N 1 3 349.906 3.580 20 0 EHADHO CC[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000155765902 1019520677 /nfs/dbraw/zinc/52/06/77/1019520677.db2.gz DVQUAELUQDNBSE-UWJYYQICSA-N 1 3 340.515 3.893 20 0 EHADHO CC[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000155765902 1019520692 /nfs/dbraw/zinc/52/06/92/1019520692.db2.gz DVQUAELUQDNBSE-UWJYYQICSA-N 1 3 340.515 3.893 20 0 EHADHO FC(F)(F)C1CC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000580733024 1019930458 /nfs/dbraw/zinc/93/04/58/1019930458.db2.gz QXWWSIJJKXKFJJ-QEFFHFBBSA-N 1 3 338.417 3.828 20 0 EHADHO C[C@@H](Cn1cccn1)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345159466 1019994355 /nfs/dbraw/zinc/99/43/55/1019994355.db2.gz HLVWCJSGXKXURR-OTWHNJEPSA-N 1 3 340.515 3.539 20 0 EHADHO C[C@@H](Cn1cccn1)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345159466 1019994363 /nfs/dbraw/zinc/99/43/63/1019994363.db2.gz HLVWCJSGXKXURR-OTWHNJEPSA-N 1 3 340.515 3.539 20 0 EHADHO CC(C)N1CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000581101530 1020429400 /nfs/dbraw/zinc/42/94/00/1020429400.db2.gz LCDJVGDTROYMER-MRXNPFEDSA-N 1 3 328.422 3.870 20 0 EHADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1F ZINC000501079256 1020698350 /nfs/dbraw/zinc/69/83/50/1020698350.db2.gz PAWUFWFNAAMKGM-UHFFFAOYSA-N 1 3 349.538 3.700 20 0 EHADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1F ZINC000501079256 1020698358 /nfs/dbraw/zinc/69/83/58/1020698358.db2.gz PAWUFWFNAAMKGM-UHFFFAOYSA-N 1 3 349.538 3.700 20 0 EHADHO Brc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091284522 1020822638 /nfs/dbraw/zinc/82/26/38/1020822638.db2.gz MQUDPTRDNUSGPH-YVEFUNNKSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091284522 1020822646 /nfs/dbraw/zinc/82/26/46/1020822646.db2.gz MQUDPTRDNUSGPH-YVEFUNNKSA-N 1 3 335.289 3.510 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179217 1021046636 /nfs/dbraw/zinc/04/66/36/1021046636.db2.gz FXAXDJAJEGIAQZ-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179217 1021046641 /nfs/dbraw/zinc/04/66/41/1021046641.db2.gz FXAXDJAJEGIAQZ-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179217 1021046644 /nfs/dbraw/zinc/04/66/44/1021046644.db2.gz FXAXDJAJEGIAQZ-GUYCJALGSA-N 1 3 337.305 3.758 20 0 EHADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246585 1021179075 /nfs/dbraw/zinc/17/90/75/1021179075.db2.gz KNDIMZLFYUCYPY-PBFPGSCMSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246585 1021179083 /nfs/dbraw/zinc/17/90/83/1021179083.db2.gz KNDIMZLFYUCYPY-PBFPGSCMSA-N 1 3 337.305 3.899 20 0 EHADHO c1ccc(CN2CC[C@@H](C[NH2+]Cc3nccc4ccccc43)C2)cc1 ZINC000684410273 1021660234 /nfs/dbraw/zinc/66/02/34/1021660234.db2.gz DAXLWJQKLPLMDR-IBGZPJMESA-N 1 3 331.463 3.847 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000423378812 1021796890 /nfs/dbraw/zinc/79/68/90/1021796890.db2.gz WQACXVLWALWCKJ-SUNKGSAMSA-N 1 3 329.307 3.821 20 0 EHADHO C[C@@H](C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437699271 1022068557 /nfs/dbraw/zinc/06/85/57/1022068557.db2.gz IAQOSVWFLUFDRD-OKZBNKHCSA-N 1 3 348.506 3.750 20 0 EHADHO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OCc1cccs1 ZINC000517742134 1022613868 /nfs/dbraw/zinc/61/38/68/1022613868.db2.gz NKJVMPZAUJRFCB-KGLIPLIRSA-N 1 3 334.485 3.551 20 0 EHADHO Fc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)c1F ZINC000426059691 1022788820 /nfs/dbraw/zinc/78/88/20/1022788820.db2.gz FMJASBNQPOJEST-HZPDHXFCSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c1F ZINC000426059691 1022788835 /nfs/dbraw/zinc/78/88/35/1022788835.db2.gz FMJASBNQPOJEST-HZPDHXFCSA-N 1 3 334.454 3.993 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510653869 1022834088 /nfs/dbraw/zinc/83/40/88/1022834088.db2.gz UNTZFEFUFPXDKV-INMHGKMJSA-N 1 3 337.305 3.899 20 0 EHADHO Clc1cccc(N2CCCC2)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430898687 1022849506 /nfs/dbraw/zinc/84/95/06/1022849506.db2.gz DQEUYCSYBDFBFB-UHFFFAOYSA-N 1 3 333.907 3.516 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000506907566 1022989810 /nfs/dbraw/zinc/98/98/10/1022989810.db2.gz GTFMUKULJCGYOW-UHFFFAOYSA-N 1 3 347.522 3.980 20 0 EHADHO Cc1cccc([C@H](C)[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000441475520 1023089158 /nfs/dbraw/zinc/08/91/58/1023089158.db2.gz QCQZTJWVXIYFMD-FHWLQOOXSA-N 1 3 330.516 3.877 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000414963508 1023101077 /nfs/dbraw/zinc/10/10/77/1023101077.db2.gz KXDLNFIOKVFCRL-BAGYTPMASA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000414963508 1023101084 /nfs/dbraw/zinc/10/10/84/1023101084.db2.gz KXDLNFIOKVFCRL-BAGYTPMASA-N 1 3 335.495 3.577 20 0 EHADHO Cc1cc(N)cc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000414963508 1023101086 /nfs/dbraw/zinc/10/10/86/1023101086.db2.gz KXDLNFIOKVFCRL-BAGYTPMASA-N 1 3 335.495 3.577 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000427598203 1024150443 /nfs/dbraw/zinc/15/04/43/1024150443.db2.gz BTHHXAPQAXWRAD-MRXNPFEDSA-N 1 3 341.421 3.943 20 0 EHADHO C[C@H](CCN1CC[C@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039540 1024187938 /nfs/dbraw/zinc/18/79/38/1024187938.db2.gz POPSXWWQEKHVQW-WIYYLYMNSA-N 1 3 330.516 3.646 20 0 EHADHO C[C@H](CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039540 1024187947 /nfs/dbraw/zinc/18/79/47/1024187947.db2.gz POPSXWWQEKHVQW-WIYYLYMNSA-N 1 3 330.516 3.646 20 0 EHADHO C[C@@H]1CC(N2CC[C@@H]3CCCO[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048190 1024343374 /nfs/dbraw/zinc/34/33/74/1024343374.db2.gz UMEBHYDLFZKOEE-HROGELHOSA-N 1 3 342.527 3.929 20 0 EHADHO Brc1ccc2oc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2c1 ZINC000582014198 1024364910 /nfs/dbraw/zinc/36/49/10/1024364910.db2.gz KGSSJVZNWCBVRU-GFCCVEGCSA-N 1 3 349.272 3.769 20 0 EHADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1sccc1Br ZINC000514596371 1024593811 /nfs/dbraw/zinc/59/38/11/1024593811.db2.gz XBOKRWKOASHOKP-SUZMYJTESA-N 1 3 329.307 3.549 20 0 EHADHO CCOc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)c(C)c1 ZINC000657314875 1025052033 /nfs/dbraw/zinc/05/20/33/1025052033.db2.gz DDCDSBNNQVNCCP-UHFFFAOYSA-N 1 3 342.483 3.624 20 0 EHADHO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000582053901 1025114934 /nfs/dbraw/zinc/11/49/34/1025114934.db2.gz UEGMAOGJWHQVIR-WSWWRLHASA-N 1 3 344.543 3.675 20 0 EHADHO C[C@@H]1CC([NH2+][C@H]2CCN(C3CCC3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168036942 1025132011 /nfs/dbraw/zinc/13/20/11/1025132011.db2.gz WGBAHVSJWIXSGN-GGPKGHCWSA-N 1 3 341.543 3.644 20 0 EHADHO C[NH+]1CCC(C)(CN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346827313 1025212704 /nfs/dbraw/zinc/21/27/04/1025212704.db2.gz IXPZCGCFNZCTJJ-IBGZPJMESA-N 1 3 327.447 3.632 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044434 1025460324 /nfs/dbraw/zinc/46/03/24/1025460324.db2.gz FJGAAKJTYUOTTG-PZJWPPBQSA-N 1 3 328.500 3.542 20 0 EHADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CCOC4CCC4)CC[C@H]32)cc1 ZINC000347044434 1025460333 /nfs/dbraw/zinc/46/03/33/1025460333.db2.gz FJGAAKJTYUOTTG-PZJWPPBQSA-N 1 3 328.500 3.542 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657364449 1025545197 /nfs/dbraw/zinc/54/51/97/1025545197.db2.gz VQPCGMUICGTJNM-MAUKXSAKSA-N 1 3 347.528 3.523 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657364449 1025545207 /nfs/dbraw/zinc/54/52/07/1025545207.db2.gz VQPCGMUICGTJNM-MAUKXSAKSA-N 1 3 347.528 3.523 20 0 EHADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442878446 1025559712 /nfs/dbraw/zinc/55/97/12/1025559712.db2.gz UBCAJYVXMKEYDU-INIZCTEOSA-N 1 3 343.515 3.672 20 0 EHADHO CC[NH+]1CCC(CCNCc2cccc(F)c2OC(F)F)CC1 ZINC000657376763 1025678921 /nfs/dbraw/zinc/67/89/21/1025678921.db2.gz ODSYLTJEGURDCF-UHFFFAOYSA-N 1 3 330.394 3.639 20 0 EHADHO COc1cccc(F)c1[C@@H](C)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000436471439 1025765696 /nfs/dbraw/zinc/76/56/96/1025765696.db2.gz SBFQFWWQECABPY-CQSZACIVSA-N 1 3 329.419 3.549 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000109788128 1025839915 /nfs/dbraw/zinc/83/99/15/1025839915.db2.gz MUDVYIIHRAHIRW-UHFFFAOYSA-N 1 3 325.294 3.755 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000109788128 1025839929 /nfs/dbraw/zinc/83/99/29/1025839929.db2.gz MUDVYIIHRAHIRW-UHFFFAOYSA-N 1 3 325.294 3.755 20 0 EHADHO [NH3+]Cc1ccc(CN[C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000582360706 1025955062 /nfs/dbraw/zinc/95/50/62/1025955062.db2.gz BJPSZWYYZBKMQG-INIZCTEOSA-N 1 3 349.247 3.824 20 0 EHADHO C1C[C@@H]([C@@H]2CCCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)CO1 ZINC000474049275 1026069593 /nfs/dbraw/zinc/06/95/93/1026069593.db2.gz XCTDKCONXIAYSG-JRGCBEDISA-N 1 3 334.548 3.968 20 0 EHADHO COCc1csc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000657428868 1026251258 /nfs/dbraw/zinc/25/12/58/1026251258.db2.gz CGMURTXXVOTOBH-LPHOPBHVSA-N 1 3 344.524 3.895 20 0 EHADHO CCOCC(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000582449550 1026295472 /nfs/dbraw/zinc/29/54/72/1026295472.db2.gz HDZPOOVHSJQKMA-XUVXKRRUSA-N 1 3 330.516 3.549 20 0 EHADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(OC)c1 ZINC000122295680 1026347325 /nfs/dbraw/zinc/34/73/25/1026347325.db2.gz AQSXOVQNYRMFDE-FQEVSTJZSA-N 1 3 342.483 3.877 20 0 EHADHO CCN(CCn1cccn1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059790 1026402510 /nfs/dbraw/zinc/40/25/10/1026402510.db2.gz HFNUIMFKWLORHL-CEQLMSFQSA-N 1 3 340.515 3.647 20 0 EHADHO CCN(CCn1cccn1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168059790 1026402514 /nfs/dbraw/zinc/40/25/14/1026402514.db2.gz HFNUIMFKWLORHL-CEQLMSFQSA-N 1 3 340.515 3.647 20 0 EHADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(OC)cc1 ZINC000159066371 1026475765 /nfs/dbraw/zinc/47/57/65/1026475765.db2.gz DUFLOVSOVUQRGG-FQEVSTJZSA-N 1 3 334.504 3.627 20 0 EHADHO C[C@H](NCc1cc(Cl)ccc1Br)C1CC[NH+](C)CC1 ZINC000396450827 1026594063 /nfs/dbraw/zinc/59/40/63/1026594063.db2.gz IVMQVPXIWZFFQH-NSHDSACASA-N 1 3 345.712 3.922 20 0 EHADHO Cc1ccc2nccc(NCCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000302158581 1027074403 /nfs/dbraw/zinc/07/44/03/1027074403.db2.gz NWULGOTYKCMNSB-IRXDYDNUSA-N 1 3 327.472 3.845 20 0 EHADHO Cc1ccc2[nH+]ccc(NCCCCN3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000302158581 1027074411 /nfs/dbraw/zinc/07/44/11/1027074411.db2.gz NWULGOTYKCMNSB-IRXDYDNUSA-N 1 3 327.472 3.845 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000513712773 1027224160 /nfs/dbraw/zinc/22/41/60/1027224160.db2.gz FMQLLZUMZRAMKG-ZRBLBEILSA-N 1 3 349.522 3.905 20 0 EHADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000420301055 1027450385 /nfs/dbraw/zinc/45/03/85/1027450385.db2.gz IIKPTMCUPNUGNW-NQIIRXRSSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000420301055 1027450395 /nfs/dbraw/zinc/45/03/95/1027450395.db2.gz IIKPTMCUPNUGNW-NQIIRXRSSA-N 1 3 340.467 3.583 20 0 EHADHO C[C@H]1CC[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2sccc21 ZINC000453175888 1027454789 /nfs/dbraw/zinc/45/47/89/1027454789.db2.gz MIJSPAVVXNOPOX-WMLDXEAASA-N 1 3 345.512 3.812 20 0 EHADHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1Cl ZINC000657594835 1027567408 /nfs/dbraw/zinc/56/74/08/1027567408.db2.gz DAZJDZLHBLMSPE-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1Cl ZINC000657594835 1027567420 /nfs/dbraw/zinc/56/74/20/1027567420.db2.gz DAZJDZLHBLMSPE-LJQANCHMSA-N 1 3 344.886 3.505 20 0 EHADHO C[C@H]1CN(CC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@H](C)O1 ZINC000459324990 1027613293 /nfs/dbraw/zinc/61/32/93/1027613293.db2.gz LQJAUFHXRWXYRW-HOTGVXAUSA-N 1 3 344.490 3.633 20 0 EHADHO CSc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612795 1027634617 /nfs/dbraw/zinc/63/46/17/1027634617.db2.gz RXLHKNOSGODQFR-UHFFFAOYSA-N 1 3 341.524 3.805 20 0 EHADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(OCc4ccc(F)cc4)c3)C[C@@H]12 ZINC000414678930 1027839543 /nfs/dbraw/zinc/83/95/43/1027839543.db2.gz YOVOLWUCCADWHG-IOMROCGXSA-N 1 3 340.442 3.574 20 0 EHADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422702250 1027860359 /nfs/dbraw/zinc/86/03/59/1027860359.db2.gz KIIHUJSBJMZOCA-JKSUJKDBSA-N 1 3 326.406 3.987 20 0 EHADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422702247 1027862637 /nfs/dbraw/zinc/86/26/37/1027862637.db2.gz KIIHUJSBJMZOCA-HOTGVXAUSA-N 1 3 326.406 3.987 20 0 EHADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc(OCCCc2ccccc2)c1 ZINC000422716989 1027885255 /nfs/dbraw/zinc/88/52/55/1027885255.db2.gz VCXZROVAFPQYCC-FGZHOGPDSA-N 1 3 338.495 3.710 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422787807 1027942493 /nfs/dbraw/zinc/94/24/93/1027942493.db2.gz QMLONUMNDZUTQX-RDJZCZTQSA-N 1 3 327.472 3.667 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000422787805 1027942598 /nfs/dbraw/zinc/94/25/98/1027942598.db2.gz QMLONUMNDZUTQX-NVXWUHKLSA-N 1 3 327.472 3.667 20 0 EHADHO FC(F)(F)c1csc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422800867 1027951470 /nfs/dbraw/zinc/95/14/70/1027951470.db2.gz AOQGELJLRZCKLY-JHJVBQTASA-N 1 3 347.450 3.605 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000422807105 1027957818 /nfs/dbraw/zinc/95/78/18/1027957818.db2.gz OGOXPTWKWSJYEU-NEPJUHHUSA-N 1 3 335.398 3.862 20 0 EHADHO C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnccc1N ZINC000422827784 1027971332 /nfs/dbraw/zinc/97/13/32/1027971332.db2.gz NJEKCINHQPHDRL-KRWDZBQOSA-N 1 3 338.499 3.721 20 0 EHADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422840579 1027981369 /nfs/dbraw/zinc/98/13/69/1027981369.db2.gz UADCSJQYSQKYFV-OJAHFUOMSA-N 1 3 347.934 3.819 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818157 1027984405 /nfs/dbraw/zinc/98/44/05/1027984405.db2.gz JKDSSRDJBBKCTG-RBOXIYTFSA-N 1 3 329.410 3.868 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422861482 1027998485 /nfs/dbraw/zinc/99/84/85/1027998485.db2.gz MTAUBPVNBUBRHH-GCJKJVERSA-N 1 3 338.495 3.881 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1SCCc2ccccc21 ZINC000422842538 1028004276 /nfs/dbraw/zinc/00/42/76/1028004276.db2.gz YQGUEDJRKUONJM-BEVDRBHNSA-N 1 3 326.509 3.565 20 0 EHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845328 1028005743 /nfs/dbraw/zinc/00/57/43/1028005743.db2.gz NUXFHAKKFBRBBR-GUDVDZBRSA-N 1 3 335.923 3.727 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422845328 1028005761 /nfs/dbraw/zinc/00/57/61/1028005761.db2.gz NUXFHAKKFBRBBR-GUDVDZBRSA-N 1 3 335.923 3.727 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000422878381 1028009532 /nfs/dbraw/zinc/00/95/32/1028009532.db2.gz JAYZMFYTCGPYDD-NEPJUHHUSA-N 1 3 335.398 3.862 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000502255783 1028032601 /nfs/dbraw/zinc/03/26/01/1028032601.db2.gz NTCYFPVZKCYAPA-NQIIRXRSSA-N 1 3 328.500 3.706 20 0 EHADHO CCc1cc(OC)ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000502255783 1028032622 /nfs/dbraw/zinc/03/26/22/1028032622.db2.gz NTCYFPVZKCYAPA-NQIIRXRSSA-N 1 3 328.500 3.706 20 0 EHADHO Cc1sc(CC[NH2+][C@@H](C)[C@H]2CCCCN2)nc1-c1ccccc1 ZINC000422927962 1028058084 /nfs/dbraw/zinc/05/80/84/1028058084.db2.gz HYDBJOVRDQCMIN-WMLDXEAASA-N 1 3 329.513 3.781 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000422931541 1028062214 /nfs/dbraw/zinc/06/22/14/1028062214.db2.gz XTTCBIQGPNQKPI-NQIIRXRSSA-N 1 3 338.451 3.866 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937447 1028066704 /nfs/dbraw/zinc/06/67/04/1028066704.db2.gz GMVFNRRQHYDDKT-NVXWUHKLSA-N 1 3 338.904 3.834 20 0 EHADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422939806 1028067885 /nfs/dbraw/zinc/06/78/85/1028067885.db2.gz RVHHRWZJGRWLBH-VWPQPMDRSA-N 1 3 334.463 3.828 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937451 1028068346 /nfs/dbraw/zinc/06/83/46/1028068346.db2.gz GMVFNRRQHYDDKT-WBVHZDCISA-N 1 3 338.904 3.834 20 0 EHADHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1cccc(C)c1 ZINC000422918496 1028072082 /nfs/dbraw/zinc/07/20/82/1028072082.db2.gz HKHMORYDBWLTMG-YJBOKZPZSA-N 1 3 327.472 3.665 20 0 EHADHO COC[C@H](CCC[NH3+])N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422947918 1028085162 /nfs/dbraw/zinc/08/51/62/1028085162.db2.gz QVTMLDPAVKDWMF-IRXDYDNUSA-N 1 3 338.904 3.834 20 0 EHADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422953100 1028091321 /nfs/dbraw/zinc/09/13/21/1028091321.db2.gz DBXIORXOBGXHFP-HSALFYBXSA-N 1 3 345.556 3.568 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000422982065 1028107766 /nfs/dbraw/zinc/10/77/66/1028107766.db2.gz VJBPHASKQVIWBC-MGPUTAFESA-N 1 3 326.488 3.636 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000422999160 1028113867 /nfs/dbraw/zinc/11/38/67/1028113867.db2.gz DTVFPDVRCBVTLX-ICSRJNTNSA-N 1 3 337.467 3.546 20 0 EHADHO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000423011567 1028125370 /nfs/dbraw/zinc/12/53/70/1028125370.db2.gz AYFVJHLCOSFAQH-YGHPHNMRSA-N 1 3 326.440 3.506 20 0 EHADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ccccc21 ZINC000423020700 1028130456 /nfs/dbraw/zinc/13/04/56/1028130456.db2.gz CRFQSUNJELNZBB-GESALYCCSA-N 1 3 345.849 3.792 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423039118 1028143008 /nfs/dbraw/zinc/14/30/08/1028143008.db2.gz PTRDQEIAUIMGSE-ZLXGRDSLSA-N 1 3 343.446 3.559 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(Br)s2)CCC1 ZINC000423098975 1028183645 /nfs/dbraw/zinc/18/36/45/1028183645.db2.gz DPGNJIPVAIEBDJ-QWRGUYRKSA-N 1 3 331.323 3.648 20 0 EHADHO C[C@@H](Cc1ccccc1)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000414717991 1028194002 /nfs/dbraw/zinc/19/40/02/1028194002.db2.gz QMJHBNSSSLDKEA-UGKGYDQZSA-N 1 3 337.511 3.905 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000423160146 1028235312 /nfs/dbraw/zinc/23/53/12/1028235312.db2.gz HBRFXKCPWNGSSO-LBPRGKRZSA-N 1 3 348.288 3.505 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000423206385 1028276686 /nfs/dbraw/zinc/27/66/86/1028276686.db2.gz BXVSMUIGYKZMIP-XNRPHZJLSA-N 1 3 337.305 3.723 20 0 EHADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272590 1028334490 /nfs/dbraw/zinc/33/44/90/1028334490.db2.gz JWFRVDMFXGTHKD-GJZGRUSLSA-N 1 3 333.476 3.900 20 0 EHADHO CC[N@@H+]1CC[C@H](NCCc2csc(-c3ccccc3)n2)[C@H](C)C1 ZINC000161956468 1028379502 /nfs/dbraw/zinc/37/95/02/1028379502.db2.gz VDXRGILABDWVEH-QAPCUYQASA-N 1 3 329.513 3.673 20 0 EHADHO CC[N@H+]1CC[C@H](NCCc2csc(-c3ccccc3)n2)[C@H](C)C1 ZINC000161956468 1028379514 /nfs/dbraw/zinc/37/95/14/1028379514.db2.gz VDXRGILABDWVEH-QAPCUYQASA-N 1 3 329.513 3.673 20 0 EHADHO COc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423387389 1028402646 /nfs/dbraw/zinc/40/26/46/1028402646.db2.gz MQXKAJVJTKSIAH-GOSISDBHSA-N 1 3 326.465 3.625 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@H](C)[C@@H](C)[NH3+])nc1 ZINC000423479969 1028464528 /nfs/dbraw/zinc/46/45/28/1028464528.db2.gz VSTQVNJLEXBRLG-SXGZJXTBSA-N 1 3 345.918 3.777 20 0 EHADHO C[C@H](c1ccccc1Br)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414757936 1028584715 /nfs/dbraw/zinc/58/47/15/1028584715.db2.gz MCJRCUOGQRICGR-MCIONIFRSA-N 1 3 325.294 3.830 20 0 EHADHO Cc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773639 1028792191 /nfs/dbraw/zinc/79/21/91/1028792191.db2.gz DQKCZOAIGJYXIP-QWHCGFSZSA-N 1 3 343.334 3.641 20 0 EHADHO c1csc([C@@H](Cc2ccncc2)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000424269409 1028926216 /nfs/dbraw/zinc/92/62/16/1028926216.db2.gz PGKQCNPQSCRGND-SJLPKXTDSA-N 1 3 327.497 3.501 20 0 EHADHO c1csc([C@@H](Cc2ccncc2)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269409 1028926227 /nfs/dbraw/zinc/92/62/27/1028926227.db2.gz PGKQCNPQSCRGND-SJLPKXTDSA-N 1 3 327.497 3.501 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299803 1028942916 /nfs/dbraw/zinc/94/29/16/1028942916.db2.gz VWMXATGWPJAGFB-ZDUSSCGKSA-N 1 3 331.485 3.676 20 0 EHADHO c1sc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000414781037 1028944864 /nfs/dbraw/zinc/94/48/64/1028944864.db2.gz MJQKNWWUKGIDSH-IAGOWNOFSA-N 1 3 327.497 3.632 20 0 EHADHO Cn1cnc2cc(C[N@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000271737579 1029145893 /nfs/dbraw/zinc/14/58/93/1029145893.db2.gz PLTSGMNJVHRGOI-HXUWFJFHSA-N 1 3 348.494 3.527 20 0 EHADHO Cn1cnc2cc(C[N@@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000271737579 1029145903 /nfs/dbraw/zinc/14/59/03/1029145903.db2.gz PLTSGMNJVHRGOI-HXUWFJFHSA-N 1 3 348.494 3.527 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]CCNC2CCCCCC2)cc1O ZINC000414799459 1029172417 /nfs/dbraw/zinc/17/24/17/1029172417.db2.gz DRTROFKJAYJTET-INIZCTEOSA-N 1 3 334.504 3.624 20 0 EHADHO Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272481379 1029476130 /nfs/dbraw/zinc/47/61/30/1029476130.db2.gz MFDSYRJABNTQES-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272481379 1029476147 /nfs/dbraw/zinc/47/61/47/1029476147.db2.gz MFDSYRJABNTQES-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481379 1029476155 /nfs/dbraw/zinc/47/61/55/1029476155.db2.gz MFDSYRJABNTQES-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663498 1029555852 /nfs/dbraw/zinc/55/58/52/1029555852.db2.gz ILTXTJAVTSJBOU-NPPFBWRTSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663498 1029555858 /nfs/dbraw/zinc/55/58/58/1029555858.db2.gz ILTXTJAVTSJBOU-NPPFBWRTSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000162604021 1029798938 /nfs/dbraw/zinc/79/89/38/1029798938.db2.gz BNRXXHZWXRKYTK-YCRPNKLZSA-N 1 3 342.458 3.789 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481928141 1030128146 /nfs/dbraw/zinc/12/81/46/1030128146.db2.gz QXJXDYPRQNTUQI-GJZGRUSLSA-N 1 3 328.422 3.958 20 0 EHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Br)c(F)c1 ZINC000453374280 1030196254 /nfs/dbraw/zinc/19/62/54/1030196254.db2.gz XFJCHCXMAPZTEI-HLVVYCRESA-N 1 3 341.268 3.864 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964165 1030202097 /nfs/dbraw/zinc/20/20/97/1030202097.db2.gz RVDWYTOKWJNPOP-MAODMQOUSA-N 1 3 348.506 3.930 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964165 1030202107 /nfs/dbraw/zinc/20/21/07/1030202107.db2.gz RVDWYTOKWJNPOP-MAODMQOUSA-N 1 3 348.506 3.930 20 0 EHADHO CCC[N@H+](Cc1ccnn1-c1ccncc1)[C@H]1CCCc2cccnc21 ZINC000668003305 1030328362 /nfs/dbraw/zinc/32/83/62/1030328362.db2.gz NNPKYXSXKGCZHG-FQEVSTJZSA-N 1 3 347.466 3.952 20 0 EHADHO CCC[N@@H+](Cc1ccnn1-c1ccncc1)[C@H]1CCCc2cccnc21 ZINC000668003305 1030328379 /nfs/dbraw/zinc/32/83/79/1030328379.db2.gz NNPKYXSXKGCZHG-FQEVSTJZSA-N 1 3 347.466 3.952 20 0 EHADHO FC(F)(F)Oc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168353375 1030805486 /nfs/dbraw/zinc/80/54/86/1030805486.db2.gz NGTGCPBJLHRRSS-UHFFFAOYSA-N 1 3 328.378 3.549 20 0 EHADHO CCCCN1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000122970989 1030821177 /nfs/dbraw/zinc/82/11/77/1030821177.db2.gz FSVJSJVUXSAZCC-OAQYLSRUSA-N 1 3 329.532 3.505 20 0 EHADHO c1ccc(C[N@H+]2CC[C@@H](CNCc3ccnc4ccccc34)C2)cc1 ZINC000394143554 1030913541 /nfs/dbraw/zinc/91/35/41/1030913541.db2.gz XZWFYHABUXARPI-IBGZPJMESA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccnc4ccccc34)C2)cc1 ZINC000394143554 1030913565 /nfs/dbraw/zinc/91/35/65/1030913565.db2.gz XZWFYHABUXARPI-IBGZPJMESA-N 1 3 331.463 3.847 20 0 EHADHO COCCSc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000162349895 1031022916 /nfs/dbraw/zinc/02/29/16/1031022916.db2.gz YJFYSIWBUTXYEQ-KRWDZBQOSA-N 1 3 336.545 3.952 20 0 EHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527898083 1031397966 /nfs/dbraw/zinc/39/79/66/1031397966.db2.gz RJIXFZHBXGORSS-INIZCTEOSA-N 1 3 338.499 3.612 20 0 EHADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC ZINC000178040258 1031611570 /nfs/dbraw/zinc/61/15/70/1031611570.db2.gz CREUDSBTHGVDHZ-ZHALLVOQSA-N 1 3 334.504 3.625 20 0 EHADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000595017877 1033612554 /nfs/dbraw/zinc/61/25/54/1033612554.db2.gz WMINKMBDTZEHQT-INIZCTEOSA-N 1 3 338.536 3.599 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCC(F)(F)CC2)CC1 ZINC000658323734 1034199570 /nfs/dbraw/zinc/19/95/70/1034199570.db2.gz UMQVGBCTARFJFK-RDJZCZTQSA-N 1 3 344.490 3.560 20 0 EHADHO C[C@H](O)[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000658361910 1034244536 /nfs/dbraw/zinc/24/45/36/1034244536.db2.gz PLXOPAMPPPZFEV-HXHBTQRASA-N 1 3 338.495 3.609 20 0 EHADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc2ccccc21 ZINC000669618854 1034836574 /nfs/dbraw/zinc/83/65/74/1034836574.db2.gz KXESJEQYFFMQOV-OAQYLSRUSA-N 1 3 339.527 3.907 20 0 EHADHO C[C@H](CCc1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709924 1035978596 /nfs/dbraw/zinc/97/85/96/1035978596.db2.gz GFEUSKODTRRXAB-VAMGGRTRSA-N 1 3 344.543 3.829 20 0 EHADHO C[C@@H](c1cccc(F)c1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710067 1035979536 /nfs/dbraw/zinc/97/95/36/1035979536.db2.gz HAAUYDCOCRHUME-BBWFWOEESA-N 1 3 334.479 3.708 20 0 EHADHO C[C@@H](c1cccc(F)c1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710067 1035979545 /nfs/dbraw/zinc/97/95/45/1035979545.db2.gz HAAUYDCOCRHUME-BBWFWOEESA-N 1 3 334.479 3.708 20 0 EHADHO C[C@H](c1ccc(F)cc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710160 1035980519 /nfs/dbraw/zinc/98/05/19/1035980519.db2.gz HSYYEYHWEHMUJR-BRWVUGGUSA-N 1 3 334.479 3.708 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000423027470 1036618594 /nfs/dbraw/zinc/61/85/94/1036618594.db2.gz PDLDSJYMOOTEKC-KRWDZBQOSA-N 1 3 339.483 3.639 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000151345289 1037017792 /nfs/dbraw/zinc/01/77/92/1037017792.db2.gz INUYIVYUVPLRRY-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO Brc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542908 1037067120 /nfs/dbraw/zinc/06/71/20/1037067120.db2.gz DQIAXQJZTWAIAF-STQMWFEESA-N 1 3 343.334 3.722 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838567 1037246251 /nfs/dbraw/zinc/24/62/51/1037246251.db2.gz XDKOJONHRVNXJB-YOEHRIQHSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000539838567 1037246262 /nfs/dbraw/zinc/24/62/62/1037246262.db2.gz XDKOJONHRVNXJB-YOEHRIQHSA-N 1 3 339.321 3.920 20 0 EHADHO CCc1ccccc1[C@H](N)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423503133 1037517003 /nfs/dbraw/zinc/51/70/03/1037517003.db2.gz MPKFKDOCPLQDCT-CEMLEFRQSA-N 1 3 337.511 3.674 20 0 EHADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000532504330 1037530221 /nfs/dbraw/zinc/53/02/21/1037530221.db2.gz FOBMPWQPUQSITA-BEFAXECRSA-N 1 3 334.504 3.865 20 0 EHADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540171486 1037638171 /nfs/dbraw/zinc/63/81/71/1037638171.db2.gz YNIOXFLCFMICMX-ZVDOUQERSA-N 1 3 332.532 3.795 20 0 EHADHO C[C@H]1C[NH+](CC2CCN(c3ccnc4ccccc43)CC2)C[C@H](C)O1 ZINC000540297014 1037776477 /nfs/dbraw/zinc/77/64/77/1037776477.db2.gz ILSZVKJCSBSOGX-IRXDYDNUSA-N 1 3 339.483 3.560 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCCCC2)CCN1Cc1ccccc1 ZINC000463143427 1037790831 /nfs/dbraw/zinc/79/08/31/1037790831.db2.gz SIGDQCHZOBRINM-TZIWHRDSSA-N 1 3 343.559 3.894 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182872904 1038646696 /nfs/dbraw/zinc/64/66/96/1038646696.db2.gz PNBGYLBXZUNMHH-APWZRJJASA-N 1 3 332.488 3.511 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2cccc3Cl)C[C@@H](C)O1 ZINC000539070963 1038669402 /nfs/dbraw/zinc/66/94/02/1038669402.db2.gz ATARXNJDTMKMMK-CLCXKQKWSA-N 1 3 336.907 3.806 20 0 EHADHO CN(c1ccccc1CN1CC2(C1)CCCC2)C1CC[NH+](C)CC1 ZINC000485328859 1038931249 /nfs/dbraw/zinc/93/12/49/1038931249.db2.gz HVNKCPHKLKQHDP-UHFFFAOYSA-N 1 3 327.516 3.593 20 0 EHADHO CC(C)Cc1ccc([C@H](CNC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000554141204 1038965221 /nfs/dbraw/zinc/96/52/21/1038965221.db2.gz ZUEQSZWJDQUPAE-QFIPXVFZSA-N 1 3 345.575 3.950 20 0 EHADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@H]2CCC[C@@H]21 ZINC000552289907 1039142067 /nfs/dbraw/zinc/14/20/67/1039142067.db2.gz PNPQGVMWTFDFDT-AABGKKOBSA-N 1 3 345.556 3.520 20 0 EHADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)[C@H]2CCC[C@@H]21 ZINC000552289907 1039142080 /nfs/dbraw/zinc/14/20/80/1039142080.db2.gz PNPQGVMWTFDFDT-AABGKKOBSA-N 1 3 345.556 3.520 20 0 EHADHO CC(C)(C)CCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512458188 1039221251 /nfs/dbraw/zinc/22/12/51/1039221251.db2.gz YYLWJCWQZBTANC-OAQYLSRUSA-N 1 3 343.559 3.705 20 0 EHADHO CC(C)(C)CCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512458188 1039221272 /nfs/dbraw/zinc/22/12/72/1039221272.db2.gz YYLWJCWQZBTANC-OAQYLSRUSA-N 1 3 343.559 3.705 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222997 1039322691 /nfs/dbraw/zinc/32/26/91/1039322691.db2.gz IJWWEFZLZZKSCA-XMSQKQJNSA-N 1 3 349.522 3.679 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222997 1039322704 /nfs/dbraw/zinc/32/27/04/1039322704.db2.gz IJWWEFZLZZKSCA-XMSQKQJNSA-N 1 3 349.522 3.679 20 0 EHADHO CN(C)C[C@@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549780005 1039846937 /nfs/dbraw/zinc/84/69/37/1039846937.db2.gz RNVSNQFVNVWPQE-INIZCTEOSA-N 1 3 344.449 3.980 20 0 EHADHO CN(C)C[C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549780005 1039846961 /nfs/dbraw/zinc/84/69/61/1039846961.db2.gz RNVSNQFVNVWPQE-INIZCTEOSA-N 1 3 344.449 3.980 20 0 EHADHO CN1CC[C@@H]([NH2+]CC[C@H]2CCCCN2C)[C@H]1c1ccc(Cl)cc1 ZINC000554949253 1039973500 /nfs/dbraw/zinc/97/35/00/1039973500.db2.gz FZLUDEZTNSKXLE-GUDVDZBRSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cn2c(n1)CCCC2 ZINC000925616436 1040151763 /nfs/dbraw/zinc/15/17/63/1040151763.db2.gz MIRDHFKMBMKNBJ-LMDPOFIKSA-N 1 3 344.547 3.913 20 0 EHADHO CCn1cncc1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000417852104 1040262561 /nfs/dbraw/zinc/26/25/61/1040262561.db2.gz DOZQZPBHNOGFMQ-UHFFFAOYSA-N 1 3 348.494 3.921 20 0 EHADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CO1 ZINC000417916473 1040323011 /nfs/dbraw/zinc/32/30/11/1040323011.db2.gz VGBKACMPIBYPBZ-QGZVFWFLSA-N 1 3 336.907 3.709 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCS4)[C@@H]3C2)cc1 ZINC000512632392 1040338940 /nfs/dbraw/zinc/33/89/40/1040338940.db2.gz ZZDKXCGERIURMG-HAGHYFMRSA-N 1 3 330.541 3.772 20 0 EHADHO Cc1cc(N2CCN(CCc3cccs3)CC2)c2ccccc2[nH+]1 ZINC000511736137 1041492926 /nfs/dbraw/zinc/49/29/26/1041492926.db2.gz UHLZDIXBMYIFBB-UHFFFAOYSA-N 1 3 337.492 3.969 20 0 EHADHO c1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)cc1 ZINC000662254663 1042638254 /nfs/dbraw/zinc/63/82/54/1042638254.db2.gz RYUCOKJAHQVXIV-OAQYLSRUSA-N 1 3 336.479 3.514 20 0 EHADHO [NH3+]CC[C@@H]1CCCN(Cc2oc3ccccc3c2Br)C1 ZINC000662273168 1042648550 /nfs/dbraw/zinc/64/85/50/1042648550.db2.gz UKIGTTWVSDJBJV-LBPRGKRZSA-N 1 3 337.261 3.756 20 0 EHADHO Cc1cc(-c2noc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)ccc1F ZINC000662314471 1042681033 /nfs/dbraw/zinc/68/10/33/1042681033.db2.gz DNAUJBDKADJZDY-CXAGYDPISA-N 1 3 346.450 3.524 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(NC4CC4)CCC3)cc2)C1 ZINC000662675059 1042826022 /nfs/dbraw/zinc/82/60/22/1042826022.db2.gz IPFBSVOBINTOLT-MRXNPFEDSA-N 1 3 341.499 3.532 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(NC4CC4)CCC3)cc2)C1 ZINC000662675059 1042826025 /nfs/dbraw/zinc/82/60/25/1042826025.db2.gz IPFBSVOBINTOLT-MRXNPFEDSA-N 1 3 341.499 3.532 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663468907 1042894304 /nfs/dbraw/zinc/89/43/04/1042894304.db2.gz NGTQLMBJMBMTNH-YLJYHZDGSA-N 1 3 330.516 3.728 20 0 EHADHO COc1cccc(C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C2CC2)c1 ZINC000663470659 1042900315 /nfs/dbraw/zinc/90/03/15/1042900315.db2.gz WBALJLKKFRWUIO-UGKGYDQZSA-N 1 3 342.527 3.728 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OC(F)F)cc1 ZINC000925777258 1042901516 /nfs/dbraw/zinc/90/15/16/1042901516.db2.gz CWVYWAAFGOAWGL-JSGCOSHPSA-N 1 3 334.357 3.574 20 0 EHADHO C[C@H]1C[N@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418365 1043139411 /nfs/dbraw/zinc/13/94/11/1043139411.db2.gz RLLMAEFXGFZFKF-HNAYVOBHSA-N 1 3 336.907 3.882 20 0 EHADHO C[C@H]1C[N@@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418365 1043139417 /nfs/dbraw/zinc/13/94/17/1043139417.db2.gz RLLMAEFXGFZFKF-HNAYVOBHSA-N 1 3 336.907 3.882 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430472 1044067639 /nfs/dbraw/zinc/06/76/39/1044067639.db2.gz GOIBPEDRJMFRFF-IIDMSEBBSA-N 1 3 343.446 3.831 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000279430474 1044068857 /nfs/dbraw/zinc/06/88/57/1044068857.db2.gz GOIBPEDRJMFRFF-RKVPGOIHSA-N 1 3 343.446 3.831 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCCOCC2)cc1CN1CCCCC1 ZINC000183343737 1125535748 /nfs/dbraw/zinc/53/57/48/1125535748.db2.gz MKFVCIDCZXHYTM-XLIONFOSSA-N 1 3 346.515 3.901 20 0 EHADHO CCc1oc2ccccc2c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000620756869 1125697895 /nfs/dbraw/zinc/69/78/95/1125697895.db2.gz BSWUYEGDOMKJMZ-IAGOWNOFSA-N 1 3 344.499 3.974 20 0 EHADHO CN1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515964 1126973178 /nfs/dbraw/zinc/97/31/78/1126973178.db2.gz XUEJOPPDXARWIQ-WOJBJXKFSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H]1C[C@@H](NC2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430775 1127154969 /nfs/dbraw/zinc/15/49/69/1127154969.db2.gz LMKPLEKAOMDCJP-BBRMVZONSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@H]1C[C@@H](NC2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430775 1127154971 /nfs/dbraw/zinc/15/49/71/1127154971.db2.gz LMKPLEKAOMDCJP-BBRMVZONSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861043 1127200806 /nfs/dbraw/zinc/20/08/06/1127200806.db2.gz NBQVAYXOIYFWAZ-NEPJUHHUSA-N 1 3 330.369 3.979 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000623899070 1127209668 /nfs/dbraw/zinc/20/96/68/1127209668.db2.gz ZPSPWTDSNJMJDE-YDHLFZDLSA-N 1 3 325.294 3.891 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000623899070 1127209669 /nfs/dbraw/zinc/20/96/69/1127209669.db2.gz ZPSPWTDSNJMJDE-YDHLFZDLSA-N 1 3 325.294 3.891 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(C)ccc1C ZINC000623920895 1127216468 /nfs/dbraw/zinc/21/64/68/1127216468.db2.gz BLTKVQCIKWPOEG-ACRUOGEOSA-N 1 3 330.516 3.722 20 0 EHADHO Cc1ccc(CN2CCSCC2)cc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623941156 1127219230 /nfs/dbraw/zinc/21/92/30/1127219230.db2.gz KWMFQEHUJAUCAO-SFHVURJKSA-N 1 3 347.572 3.829 20 0 EHADHO Cc1ccc(CN2CCSCC2)cc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623941156 1127219233 /nfs/dbraw/zinc/21/92/33/1127219233.db2.gz KWMFQEHUJAUCAO-SFHVURJKSA-N 1 3 347.572 3.829 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OCC ZINC000624119520 1127255152 /nfs/dbraw/zinc/25/51/52/1127255152.db2.gz DLRGODDVIUVZCN-DLBZAZTESA-N 1 3 334.504 3.867 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(F)cc(Br)c1 ZINC000181527261 1127281723 /nfs/dbraw/zinc/28/17/23/1127281723.db2.gz UMKUAVWISSOJSQ-LRDDRELGSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H]1C[C@@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000183323153 1127372310 /nfs/dbraw/zinc/37/23/10/1127372310.db2.gz GGFLRGHLNFUQBV-DOMZBBRYSA-N 1 3 331.287 3.582 20 0 EHADHO C[C@@H]1C[C@@H](NCCOCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000183323153 1127372312 /nfs/dbraw/zinc/37/23/12/1127372312.db2.gz GGFLRGHLNFUQBV-DOMZBBRYSA-N 1 3 331.287 3.582 20 0 EHADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254931 1127422925 /nfs/dbraw/zinc/42/29/25/1127422925.db2.gz RUBIBNJQSCAWBI-WMZOPIPTSA-N 1 3 336.495 3.677 20 0 EHADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254931 1127422926 /nfs/dbraw/zinc/42/29/26/1127422926.db2.gz RUBIBNJQSCAWBI-WMZOPIPTSA-N 1 3 336.495 3.677 20 0 EHADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000383765969 1127557368 /nfs/dbraw/zinc/55/73/68/1127557368.db2.gz FSLFBMBPQPRCHI-WJFTUGDTSA-N 1 3 334.454 3.922 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCc3cc(C)ccc32)[C@H](C)C1 ZINC000765428679 1127611926 /nfs/dbraw/zinc/61/19/26/1127611926.db2.gz UJVLCKWTASMVAR-JRGCBEDISA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3cc(C)ccc32)[C@H](C)C1 ZINC000765428679 1127611928 /nfs/dbraw/zinc/61/19/28/1127611928.db2.gz UJVLCKWTASMVAR-JRGCBEDISA-N 1 3 330.516 3.709 20 0 EHADHO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000386610197 1127705522 /nfs/dbraw/zinc/70/55/22/1127705522.db2.gz MMHRRIPVEQKYTO-LPHOPBHVSA-N 1 3 342.458 3.835 20 0 EHADHO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000671752635 1128210362 /nfs/dbraw/zinc/21/03/62/1128210362.db2.gz WLVRYTJYFSJSKA-FNAHDJPLSA-N 1 3 344.543 3.818 20 0 EHADHO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000542689872 1128540588 /nfs/dbraw/zinc/54/05/88/1128540588.db2.gz YFDGWICZZWIWSX-WOJBJXKFSA-N 1 3 335.580 3.552 20 0 EHADHO Clc1n[nH]c(C2CC2)c1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000921823051 1128789706 /nfs/dbraw/zinc/78/97/06/1128789706.db2.gz OHTSOKQFTROQFP-UHFFFAOYSA-N 1 3 336.911 3.827 20 0 EHADHO CN(C)[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000075674282 1120105967 /nfs/dbraw/zinc/10/59/67/1120105967.db2.gz MZENHSOOOOQWFH-FQEVSTJZSA-N 1 3 343.540 3.605 20 0 EHADHO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]CCCN2CCCCC2)ccc1Cl ZINC000192074560 1120710935 /nfs/dbraw/zinc/71/09/35/1120710935.db2.gz XKIZOMBXPTYSNO-ROUUACIJSA-N 1 3 340.870 3.775 20 0 EHADHO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000494740337 1120754981 /nfs/dbraw/zinc/75/49/81/1120754981.db2.gz OYCDMYHMMGRLLL-UNUOHGDUSA-N 1 3 342.527 3.977 20 0 EHADHO c1cc(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193253219 1120767250 /nfs/dbraw/zinc/76/72/50/1120767250.db2.gz KCOYHEYCHFPPMP-HXUWFJFHSA-N 1 3 328.500 3.504 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2C)C2CCCC2)CC1 ZINC000494923098 1120905880 /nfs/dbraw/zinc/90/58/80/1120905880.db2.gz KWPDRLZGMICSAT-JOCHJYFZSA-N 1 3 343.559 3.844 20 0 EHADHO Brc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250258262 1120959617 /nfs/dbraw/zinc/95/96/17/1120959617.db2.gz RVKOFRREORUIMA-CCRGXQTGSA-N 1 3 349.316 3.912 20 0 EHADHO Brc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250258262 1120959620 /nfs/dbraw/zinc/95/96/20/1120959620.db2.gz RVKOFRREORUIMA-CCRGXQTGSA-N 1 3 349.316 3.912 20 0 EHADHO CCCC[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000915229783 1121267144 /nfs/dbraw/zinc/26/71/44/1121267144.db2.gz QXROFGMWUHOVEQ-UHFFFAOYSA-N 1 3 337.511 3.899 20 0 EHADHO CC(=O)Oc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000762630302 1121387597 /nfs/dbraw/zinc/38/75/97/1121387597.db2.gz YGUWJOCFICDFGK-UHFFFAOYSA-N 1 3 344.499 3.700 20 0 EHADHO CCCN1CCC([NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000397996576 1121957885 /nfs/dbraw/zinc/95/78/85/1121957885.db2.gz CAYKDMMMHQOVKK-NRFANRHFSA-N 1 3 331.548 3.607 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125183519 1122308285 /nfs/dbraw/zinc/30/82/85/1122308285.db2.gz DADBBDSIEWBAKB-PXNSSMCTSA-N 1 3 348.494 3.514 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125183519 1122308293 /nfs/dbraw/zinc/30/82/93/1122308293.db2.gz DADBBDSIEWBAKB-PXNSSMCTSA-N 1 3 348.494 3.514 20 0 EHADHO Cc1nc(CCN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000125472729 1122318193 /nfs/dbraw/zinc/31/81/93/1122318193.db2.gz ZELGYWRSIBPFPX-INIZCTEOSA-N 1 3 335.561 3.971 20 0 EHADHO Cc1nc(CCN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000125472729 1122318197 /nfs/dbraw/zinc/31/81/97/1122318197.db2.gz ZELGYWRSIBPFPX-INIZCTEOSA-N 1 3 335.561 3.971 20 0 EHADHO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)CN1CCCCC1 ZINC000125585436 1122320683 /nfs/dbraw/zinc/32/06/83/1122320683.db2.gz HOURNVHQMYSTRM-HZPDHXFCSA-N 1 3 343.515 3.689 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125859591 1122349361 /nfs/dbraw/zinc/34/93/61/1122349361.db2.gz YOVHVGRZYHJLMG-PKOBYXMFSA-N 1 3 340.515 3.952 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125859591 1122349365 /nfs/dbraw/zinc/34/93/65/1122349365.db2.gz YOVHVGRZYHJLMG-PKOBYXMFSA-N 1 3 340.515 3.952 20 0 EHADHO Cc1cccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000126747431 1122422396 /nfs/dbraw/zinc/42/23/96/1122422396.db2.gz KDDYQPMFKYQPEI-IBGZPJMESA-N 1 3 337.511 3.593 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)C1 ZINC000655788738 1123588937 /nfs/dbraw/zinc/58/89/37/1123588937.db2.gz NKCCOWMNMZZNTI-RCOXNQKVSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](C3CC3)[C@H]3CCCCO3)CC2)C1 ZINC000655788738 1123588940 /nfs/dbraw/zinc/58/89/40/1123588940.db2.gz NKCCOWMNMZZNTI-RCOXNQKVSA-N 1 3 334.548 3.967 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000609806628 1123665950 /nfs/dbraw/zinc/66/59/50/1123665950.db2.gz QVUFRPPMYPEIDU-LJQANCHMSA-N 1 3 338.536 3.554 20 0 EHADHO Cc1ccc(-c2cc(CN3CCC(CC[NH+](C)C)CC3)on2)cc1 ZINC000079492163 1123698293 /nfs/dbraw/zinc/69/82/93/1123698293.db2.gz WXJWRTPTEIXKJU-UHFFFAOYSA-N 1 3 327.472 3.814 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1csc(Cl)c1 ZINC000248726097 1124693808 /nfs/dbraw/zinc/69/38/08/1124693808.db2.gz URJXEBPKXDXIHM-MGPQQGTHSA-N 1 3 330.925 3.942 20 0 EHADHO COc1cccc2[nH]cc(CC[NH2+]C3CCN(C(C)(C)C)CC3)c21 ZINC000181338970 1124770586 /nfs/dbraw/zinc/77/05/86/1124770586.db2.gz TXQUBLUBLLQTPY-UHFFFAOYSA-N 1 3 329.488 3.572 20 0 EHADHO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182734089 1125363050 /nfs/dbraw/zinc/36/30/50/1125363050.db2.gz UTGBSLLBXWGIAI-IAGOWNOFSA-N 1 3 334.504 3.757 20 0 EHADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658168757 1130226815 /nfs/dbraw/zinc/22/68/15/1130226815.db2.gz YLQYHFWWHSUNEN-IBGZPJMESA-N 1 3 342.462 3.569 20 0 EHADHO CC(C)OCC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172454186 1131747849 /nfs/dbraw/zinc/74/78/49/1131747849.db2.gz JBPIIGFWWOOANU-IBGZPJMESA-N 1 3 330.516 3.788 20 0 EHADHO CC[NH+](CC)C1CCC([NH2+]Cc2cc(Cl)c([O-])c(OC)c2)CC1 ZINC001173106866 1131967508 /nfs/dbraw/zinc/96/75/08/1131967508.db2.gz GHSDYFWDJYHVKU-UHFFFAOYSA-N 1 3 340.895 3.797 20 0 EHADHO C[C@H]1CN(Cc2cccc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001205995562 1132599679 /nfs/dbraw/zinc/59/96/79/1132599679.db2.gz PCLMSVBUFDQDIE-RYUDHWBXSA-N 1 3 345.712 3.909 20 0 EHADHO C[C@H]1CN(Cc2cc(Cl)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205997069 1132638019 /nfs/dbraw/zinc/63/80/19/1132638019.db2.gz ZKMLWGOHZOSAKG-RYUDHWBXSA-N 1 3 345.712 3.909 20 0 EHADHO C[C@H]([NH2+]C[C@H](CN(C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064945 1132649798 /nfs/dbraw/zinc/64/97/98/1132649798.db2.gz CQABOKGHXZJDFV-PGRDOPGGSA-N 1 3 348.494 3.976 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC001169096459 1132653155 /nfs/dbraw/zinc/65/31/55/1132653155.db2.gz WZHAOTDLFYBFHZ-NNZMDNLPSA-N 1 3 345.487 3.748 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C2 ZINC001169096906 1132653543 /nfs/dbraw/zinc/65/35/43/1132653543.db2.gz ZPWMVQROFUPZFV-BCDXTJNWSA-N 1 3 345.487 3.748 20 0 EHADHO C[C@H]1CN(Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206004042 1132687647 /nfs/dbraw/zinc/68/76/47/1132687647.db2.gz PEELZLCRBYTXHZ-CMPLNLGQSA-N 1 3 336.348 3.790 20 0 EHADHO Cc1c(F)cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206004498 1132690867 /nfs/dbraw/zinc/69/08/67/1132690867.db2.gz SQMGWJQVXJLYKH-SMDDNHRTSA-N 1 3 343.284 3.703 20 0 EHADHO CC[NH+]1CCC(NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001169221795 1132700246 /nfs/dbraw/zinc/70/02/46/1132700246.db2.gz MPPSHPFOGISUGT-IBGZPJMESA-N 1 3 335.923 3.551 20 0 EHADHO CCN1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001169221795 1132700253 /nfs/dbraw/zinc/70/02/53/1132700253.db2.gz MPPSHPFOGISUGT-IBGZPJMESA-N 1 3 335.923 3.551 20 0 EHADHO CN1C(C)(C)CC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C ZINC001169980822 1133089872 /nfs/dbraw/zinc/08/98/72/1133089872.db2.gz LVZHPKJTUKDZAZ-UHFFFAOYSA-N 1 3 325.541 3.638 20 0 EHADHO FC(F)C1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000769553358 1133313454 /nfs/dbraw/zinc/31/34/54/1133313454.db2.gz HJHSCKINPZLOCD-DYKAAJRGSA-N 1 3 334.454 3.920 20 0 EHADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCCN1CCCC[C@H]1C ZINC000769683097 1133324443 /nfs/dbraw/zinc/32/44/43/1133324443.db2.gz VKLBRFOWLXRBIB-IXDOHACOSA-N 1 3 341.540 3.532 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccn3C)C[C@@H]21 ZINC001203260653 1133354630 /nfs/dbraw/zinc/35/46/30/1133354630.db2.gz ZPPXREJJFBQPIK-LSTHTHJFSA-N 1 3 343.540 3.819 20 0 EHADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]21 ZINC001203260653 1133354634 /nfs/dbraw/zinc/35/46/34/1133354634.db2.gz ZPPXREJJFBQPIK-LSTHTHJFSA-N 1 3 343.540 3.819 20 0 EHADHO CC[C@H]([NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)[C@@H](C)O ZINC001181754339 1133521946 /nfs/dbraw/zinc/52/19/46/1133521946.db2.gz ZPXPRKYCSOIYRE-SLYNCCJLSA-N 1 3 332.532 3.674 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001181944904 1133553801 /nfs/dbraw/zinc/55/38/01/1133553801.db2.gz GCTDLLGFIHCASC-AOCRQIFASA-N 1 3 344.490 3.825 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCSC2)ccc1OC ZINC000790498939 1134426984 /nfs/dbraw/zinc/42/69/84/1134426984.db2.gz VSHCBSGPAJCYDU-JKSUJKDBSA-N 1 3 336.545 3.941 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1CN1CCCCC1 ZINC000775423243 1134771702 /nfs/dbraw/zinc/77/17/02/1134771702.db2.gz OFIXRFDWLQWSHX-ZWOKBUDYSA-N 1 3 346.515 3.899 20 0 EHADHO FC(F)(F)c1ccc(CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001192233587 1134989305 /nfs/dbraw/zinc/98/93/05/1134989305.db2.gz GZCWNHYKINMZFL-UHFFFAOYSA-N 1 3 349.400 3.855 20 0 EHADHO CCc1ccncc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527883 1135554995 /nfs/dbraw/zinc/55/49/95/1135554995.db2.gz BUWKSFJOSHXLNM-UHFFFAOYSA-N 1 3 348.494 3.554 20 0 EHADHO CCCCN(CCOC[C@@H]1CCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545958 1135579463 /nfs/dbraw/zinc/57/94/63/1135579463.db2.gz VYHJFWRDFMXZAJ-SFHVURJKSA-N 1 3 340.552 3.593 20 0 EHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001199328389 1135898438 /nfs/dbraw/zinc/89/84/38/1135898438.db2.gz ADCFQJMXJFJZEG-IZZBFERCSA-N 1 3 336.564 3.929 20 0 EHADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1cccc(C[NH+](C)C)c1 ZINC001201397181 1136012333 /nfs/dbraw/zinc/01/23/33/1136012333.db2.gz RMONDPWICPAXMJ-UHFFFAOYSA-N 1 3 338.499 3.552 20 0 EHADHO CC(C)CCN1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201620101 1136048165 /nfs/dbraw/zinc/04/81/65/1136048165.db2.gz GQJUAFWWNQFNAM-SFHVURJKSA-N 1 3 337.458 3.661 20 0 EHADHO CC(C)CCN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201620101 1136048169 /nfs/dbraw/zinc/04/81/69/1136048169.db2.gz GQJUAFWWNQFNAM-SFHVURJKSA-N 1 3 337.458 3.661 20 0 EHADHO CC(C)=CCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605248 1136799082 /nfs/dbraw/zinc/79/90/82/1136799082.db2.gz ACSSJZBNMFLWOM-HXUWFJFHSA-N 1 3 331.504 3.731 20 0 EHADHO CC(C)=CCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605248 1136799083 /nfs/dbraw/zinc/79/90/83/1136799083.db2.gz ACSSJZBNMFLWOM-HXUWFJFHSA-N 1 3 331.504 3.731 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000817962175 1136851895 /nfs/dbraw/zinc/85/18/95/1136851895.db2.gz GWCSWYQONKKGFC-HUUCEWRRSA-N 1 3 339.439 3.514 20 0 EHADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Br)nc1 ZINC000817984039 1136855663 /nfs/dbraw/zinc/85/56/63/1136855663.db2.gz VGLJPHSKMBBMDU-CJNGLKHVSA-N 1 3 348.288 3.975 20 0 EHADHO CSc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000173427502 1137106412 /nfs/dbraw/zinc/10/64/12/1137106412.db2.gz FAHYMYUTKDDURN-JKSUJKDBSA-N 1 3 334.529 3.560 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cccc(CN)n3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC001171030329 1137112886 /nfs/dbraw/zinc/11/28/86/1137112886.db2.gz LMHQOZYUOXMMTI-SCNSOLTMSA-N 1 3 344.547 3.911 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3cccc(CN)n3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC001171030331 1137112942 /nfs/dbraw/zinc/11/29/42/1137112942.db2.gz LMHQOZYUOXMMTI-XTMWUNHTSA-N 1 3 344.547 3.911 20 0 EHADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4c(N)ccnc4c3)c2c1 ZINC001171168003 1137278374 /nfs/dbraw/zinc/27/83/74/1137278374.db2.gz ILXQQBKPEDBFJY-CQSZACIVSA-N 1 3 330.435 3.959 20 0 EHADHO C1C[C@@H]2SCCS[C@@H]2[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000773139133 1137468132 /nfs/dbraw/zinc/46/81/32/1137468132.db2.gz SGTNXMQBUNGBEB-FGTMMUONSA-N 1 3 340.602 3.753 20 0 EHADHO Cc1cccnc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716681433 1137488562 /nfs/dbraw/zinc/48/85/62/1137488562.db2.gz WZDGVIFKVTUAAU-HBMCJLEFSA-N 1 3 335.495 3.575 20 0 EHADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccn1 ZINC000716710583 1137488607 /nfs/dbraw/zinc/48/86/07/1137488607.db2.gz FJUBYKLKYBLNRB-PMXSJFBMSA-N 1 3 335.495 3.828 20 0 EHADHO Cc1cccc2c1CC[C@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)C2 ZINC001171561394 1137498157 /nfs/dbraw/zinc/49/81/57/1137498157.db2.gz YUFNTZVKONRWIV-NRFANRHFSA-N 1 3 349.522 3.749 20 0 EHADHO COc1ccc(C(C)(C)CNC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001171630997 1137499892 /nfs/dbraw/zinc/49/98/92/1137499892.db2.gz SVBSDCZRGOHAHU-UHFFFAOYSA-N 1 3 333.520 3.609 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1C ZINC001171972582 1137523989 /nfs/dbraw/zinc/52/39/89/1137523989.db2.gz RKDUKADUXIADGG-LJQANCHMSA-N 1 3 325.500 3.866 20 0 EHADHO CC1(C)C[C@@H]([NH2+]CC2(F)CCOCC2)CCN1Cc1ccccc1 ZINC001171972870 1137524095 /nfs/dbraw/zinc/52/40/95/1137524095.db2.gz TUIJKNFILRLBQT-SFHVURJKSA-N 1 3 334.479 3.538 20 0 EHADHO CC1(C)C[C@H](NCCO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC001171977107 1137525064 /nfs/dbraw/zinc/52/50/64/1137525064.db2.gz XHNOSNDBOXGJPD-WOJBJXKFSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@H](NCCO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC001171977107 1137525066 /nfs/dbraw/zinc/52/50/66/1137525066.db2.gz XHNOSNDBOXGJPD-WOJBJXKFSA-N 1 3 346.515 3.562 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@H]3CCCO[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979188 1137525693 /nfs/dbraw/zinc/52/56/93/1137525693.db2.gz CUEIBEKDYPUFGL-QHAWAJNXSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@H]3CCCO[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979188 1137525694 /nfs/dbraw/zinc/52/56/94/1137525694.db2.gz CUEIBEKDYPUFGL-QHAWAJNXSA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@H](N2CCN3CCCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979245 1137525941 /nfs/dbraw/zinc/52/59/41/1137525941.db2.gz ABSGEICKDZTJNM-NHCUHLMSSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@H](N2CCN3CCCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979245 1137525943 /nfs/dbraw/zinc/52/59/43/1137525943.db2.gz ABSGEICKDZTJNM-NHCUHLMSSA-N 1 3 341.543 3.600 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC001172102176 1137536615 /nfs/dbraw/zinc/53/66/15/1137536615.db2.gz KNBXYJUOWOPHAG-REPLKXPHSA-N 1 3 344.499 3.747 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC001172107993 1137536956 /nfs/dbraw/zinc/53/69/56/1137536956.db2.gz NFTFBPJFMHRJKB-KMKNWIINSA-N 1 3 341.543 3.644 20 0 EHADHO N[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1F ZINC001206156975 1137537098 /nfs/dbraw/zinc/53/70/98/1137537098.db2.gz UXWKVGJRRVWUFB-PMACEKPBSA-N 1 3 328.431 3.527 20 0 EHADHO N[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1F ZINC001206156975 1137537099 /nfs/dbraw/zinc/53/70/99/1137537099.db2.gz UXWKVGJRRVWUFB-PMACEKPBSA-N 1 3 328.431 3.527 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CCN1Cc1ccccc1 ZINC001172107994 1137537121 /nfs/dbraw/zinc/53/71/21/1137537121.db2.gz NFTFBPJFMHRJKB-OHLDOZIISA-N 1 3 341.543 3.644 20 0 EHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc(C(F)(F)F)nc1 ZINC000872155271 1137574053 /nfs/dbraw/zinc/57/40/53/1137574053.db2.gz PUKJHSQTLDHWKI-LBPRGKRZSA-N 1 3 335.373 3.597 20 0 EHADHO c1c(CN2CCC(OC3CCCCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873205258 1137593930 /nfs/dbraw/zinc/59/39/30/1137593930.db2.gz MRESXOWHSRAZTJ-UHFFFAOYSA-N 1 3 334.529 3.708 20 0 EHADHO COCCC1([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCNCC1 ZINC000873224406 1137594287 /nfs/dbraw/zinc/59/42/87/1137594287.db2.gz AJIWAISBTHMRDB-CQSZACIVSA-N 1 3 344.421 3.557 20 0 EHADHO CN(C)C[C@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515973 1137913470 /nfs/dbraw/zinc/91/34/70/1137913470.db2.gz MSBLQZFVAHZRGB-LJQANCHMSA-N 1 3 338.495 3.676 20 0 EHADHO CN(C)C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000113515973 1137913471 /nfs/dbraw/zinc/91/34/71/1137913471.db2.gz MSBLQZFVAHZRGB-LJQANCHMSA-N 1 3 338.495 3.676 20 0 EHADHO Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000886527135 1138090551 /nfs/dbraw/zinc/09/05/51/1138090551.db2.gz ZHTSAFKCLRHOBC-BDTNDASRSA-N 1 3 335.495 3.575 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccncc1 ZINC000886536687 1138092528 /nfs/dbraw/zinc/09/25/28/1138092528.db2.gz NBKOJYHAQYFQEK-BZNRXQDOSA-N 1 3 335.495 3.828 20 0 EHADHO C[C@H](O)[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1F ZINC000886631953 1138104144 /nfs/dbraw/zinc/10/41/44/1138104144.db2.gz ZSIHMXRRGXYORF-LRTSWPCHSA-N 1 3 334.479 3.634 20 0 EHADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C)cc1 ZINC000090937260 1138214414 /nfs/dbraw/zinc/21/44/14/1138214414.db2.gz WYBFYJXAIMSZMK-IBGZPJMESA-N 1 3 327.472 3.571 20 0 EHADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000151118373 1139010324 /nfs/dbraw/zinc/01/03/24/1139010324.db2.gz OLEWJPUFDMYDJX-FUHWJXTLSA-N 1 3 326.488 3.563 20 0 EHADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000151118373 1139010331 /nfs/dbraw/zinc/01/03/31/1139010331.db2.gz OLEWJPUFDMYDJX-FUHWJXTLSA-N 1 3 326.488 3.563 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152164226 1139077751 /nfs/dbraw/zinc/07/77/51/1139077751.db2.gz WEFXZJZOWPCFBW-MJBXVCDLSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152164226 1139077758 /nfs/dbraw/zinc/07/77/58/1139077758.db2.gz WEFXZJZOWPCFBW-MJBXVCDLSA-N 1 3 330.394 3.545 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)[C@H](C)C1 ZINC000178298994 1139684992 /nfs/dbraw/zinc/68/49/92/1139684992.db2.gz BDBBQUOYTUTNLH-VQIMIIECSA-N 1 3 325.456 3.694 20 0 EHADHO COc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000178529578 1139702031 /nfs/dbraw/zinc/70/20/31/1139702031.db2.gz PNCSSERPNJYYBO-OAHLLOKOSA-N 1 3 346.446 3.626 20 0 EHADHO Cc1cncc([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000184341611 1140096948 /nfs/dbraw/zinc/09/69/48/1140096948.db2.gz SZNRWBYXFMCOGU-KRWDZBQOSA-N 1 3 327.472 3.571 20 0 EHADHO CCC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000185055400 1140133879 /nfs/dbraw/zinc/13/38/79/1140133879.db2.gz VHTHGSGKLGYFIE-HXUWFJFHSA-N 1 3 327.472 3.653 20 0 EHADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000188243853 1140288117 /nfs/dbraw/zinc/28/81/17/1140288117.db2.gz LRNXCGKORAEHJJ-UFYCRDLUSA-N 1 3 334.479 3.634 20 0 EHADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2cccc(Cl)c2)CC1 ZINC000191607839 1140474307 /nfs/dbraw/zinc/47/43/07/1140474307.db2.gz IDPMXJGEETZKLS-UHFFFAOYSA-N 1 3 337.939 3.581 20 0 EHADHO COc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000192444214 1140532846 /nfs/dbraw/zinc/53/28/46/1140532846.db2.gz DUTGRVCNBIPSAN-SFHVURJKSA-N 1 3 328.500 3.549 20 0 EHADHO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(CN(C)C)c1 ZINC000267196746 1140767017 /nfs/dbraw/zinc/76/70/17/1140767017.db2.gz DIYLVDOHYPRRTK-KRWDZBQOSA-N 1 3 343.515 3.650 20 0 EHADHO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(CN(C)C)c1 ZINC000267196746 1140767022 /nfs/dbraw/zinc/76/70/22/1140767022.db2.gz DIYLVDOHYPRRTK-KRWDZBQOSA-N 1 3 343.515 3.650 20 0 EHADHO CCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268883339 1141016741 /nfs/dbraw/zinc/01/67/41/1141016741.db2.gz FPBAZPSZRRTTFM-DENIHFKCSA-N 1 3 343.559 3.894 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648882 1016141825 /nfs/dbraw/zinc/14/18/25/1016141825.db2.gz RLGZRLOQFDCKBS-CXAGYDPISA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037648882 1016141831 /nfs/dbraw/zinc/14/18/31/1016141831.db2.gz RLGZRLOQFDCKBS-CXAGYDPISA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000340238109 1016757420 /nfs/dbraw/zinc/75/74/20/1016757420.db2.gz YAANYPHIUDCBJB-VQIMIIECSA-N 1 3 332.488 3.634 20 0 EHADHO Cc1ccsc1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536709408 1032188144 /nfs/dbraw/zinc/18/81/44/1032188144.db2.gz AKWUGOYVHYODDA-IAGOWNOFSA-N 1 3 336.545 3.768 20 0 EHADHO CCN1CCCC[C@@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449145558 1032247322 /nfs/dbraw/zinc/24/73/22/1032247322.db2.gz YAJLYWAEKIJWIV-DENIHFKCSA-N 1 3 343.559 3.546 20 0 EHADHO FC(F)(F)[C@H](CNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459564006 1032290014 /nfs/dbraw/zinc/29/00/14/1032290014.db2.gz PLNJWDRCKPLGRM-HNNXBMFYSA-N 1 3 326.406 3.624 20 0 EHADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905248881 1032391801 /nfs/dbraw/zinc/39/18/01/1032391801.db2.gz QLJPWFSGBKWGMM-MQBCKMQZSA-N 1 3 343.298 3.633 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000449396682 1032502839 /nfs/dbraw/zinc/50/28/39/1032502839.db2.gz MDJVXDVPDNAOSG-PWRODBHTSA-N 1 3 349.522 3.859 20 0 EHADHO COc1cc2c(c(CN[C@@H](CCC[NH3+])c3ccccc3)c1)O[C@@H](C)C2 ZINC000415061057 1017489205 /nfs/dbraw/zinc/48/92/05/1017489205.db2.gz XRYNPCXGDOFMNB-YWZLYKJASA-N 1 3 340.467 3.588 20 0 EHADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765767 /nfs/dbraw/zinc/76/57/67/1032765767.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 1 3 340.515 3.747 20 0 EHADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765782 /nfs/dbraw/zinc/76/57/82/1032765782.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 1 3 340.515 3.747 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765798 /nfs/dbraw/zinc/76/57/98/1032765798.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 1 3 340.515 3.747 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072986 1032765813 /nfs/dbraw/zinc/76/58/13/1032765813.db2.gz AEOSOBANOHKICP-IBGZPJMESA-N 1 3 340.515 3.747 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340583112 1018587587 /nfs/dbraw/zinc/58/75/87/1018587587.db2.gz GFKFYGGYRPNIIP-ZBFHGGJFSA-N 1 3 345.314 3.927 20 0 EHADHO FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCCO3)C2)C1 ZINC001279467554 1019716886 /nfs/dbraw/zinc/71/68/86/1019716886.db2.gz OGTDNNCUFSVXQK-DLBZAZTESA-N 1 3 348.453 3.686 20 0 EHADHO FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCCO3)C2)C1 ZINC001279467554 1019716904 /nfs/dbraw/zinc/71/69/04/1019716904.db2.gz OGTDNNCUFSVXQK-DLBZAZTESA-N 1 3 348.453 3.686 20 0 EHADHO COC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513668416 1019919605 /nfs/dbraw/zinc/91/96/05/1019919605.db2.gz YEEHXTZCXIONMH-HSALFYBXSA-N 1 3 330.516 3.692 20 0 EHADHO FC(F)(F)C1CC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000580733025 1019930743 /nfs/dbraw/zinc/93/07/43/1019930743.db2.gz QXWWSIJJKXKFJJ-VLMYXLFRSA-N 1 3 338.417 3.828 20 0 EHADHO CO[C@H](CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(F)(F)F ZINC000345509615 1020308140 /nfs/dbraw/zinc/30/81/40/1020308140.db2.gz JBQUPFVMWAHDRL-NUEKZKHPSA-N 1 3 336.442 3.587 20 0 EHADHO CO[C@H](CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(F)(F)F ZINC000345509613 1020308299 /nfs/dbraw/zinc/30/82/99/1020308299.db2.gz JBQUPFVMWAHDRL-CWRNSKLLSA-N 1 3 336.442 3.587 20 0 EHADHO c1ccc(CN2CC[C@@H]([NH2+]CCN3CCCCCC3)CC23CC3)cc1 ZINC000581190139 1020510646 /nfs/dbraw/zinc/51/06/46/1020510646.db2.gz JKBGYNGWWIPCLM-OAQYLSRUSA-N 1 3 341.543 3.649 20 0 EHADHO CCn1nc(C)c(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000093844541 1032913073 /nfs/dbraw/zinc/91/30/73/1032913073.db2.gz DKBJYGNRKBHGLQ-QGZVFWFLSA-N 1 3 346.563 3.996 20 0 EHADHO CCn1nc(C)c(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000093844541 1032913089 /nfs/dbraw/zinc/91/30/89/1032913089.db2.gz DKBJYGNRKBHGLQ-QGZVFWFLSA-N 1 3 346.563 3.996 20 0 EHADHO CC[NH2+]CC1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430554054 1020672318 /nfs/dbraw/zinc/67/23/18/1020672318.db2.gz UQLFWKQZSQABDN-UHFFFAOYSA-N 1 3 333.863 3.817 20 0 EHADHO CCOc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167961751 1021582123 /nfs/dbraw/zinc/58/21/23/1021582123.db2.gz PLHMUFPDPQLOBD-IHWFROFDSA-N 1 3 328.500 3.623 20 0 EHADHO CCOc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167961751 1021582133 /nfs/dbraw/zinc/58/21/33/1021582133.db2.gz PLHMUFPDPQLOBD-IHWFROFDSA-N 1 3 328.500 3.623 20 0 EHADHO CN(c1ccccc1)c1ccc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000437148164 1021599638 /nfs/dbraw/zinc/59/96/38/1021599638.db2.gz WBYXTJAIOHCLEU-UHFFFAOYSA-N 1 3 338.499 3.623 20 0 EHADHO Fc1cc([C@@H]2CCCN2CC2CC[NH2+]CC2)ccc1Br ZINC000261943965 1021824252 /nfs/dbraw/zinc/82/42/52/1021824252.db2.gz NDGRJXQMDDTJQE-INIZCTEOSA-N 1 3 341.268 3.725 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC000441012973 1021929269 /nfs/dbraw/zinc/92/92/69/1021929269.db2.gz GQKRYNSZUULTQN-QFIPXVFZSA-N 1 3 341.543 3.554 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000449679331 1033029557 /nfs/dbraw/zinc/02/95/57/1033029557.db2.gz DKDMETJOSSTLKI-KJJMTIBFSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)CN(C)C ZINC000425915679 1022199351 /nfs/dbraw/zinc/19/93/51/1022199351.db2.gz DJWPSISICILYAX-BEFAXECRSA-N 1 3 331.891 3.806 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919478 1022202265 /nfs/dbraw/zinc/20/22/65/1022202265.db2.gz GNYQCMKYBCZZBU-FXAWDEMLSA-N 1 3 343.902 3.950 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCNCc2conc2Cc2ccccc2)C1 ZINC000550097892 1022421910 /nfs/dbraw/zinc/42/19/10/1022421910.db2.gz YDRRFSUMOSZRKT-GOSISDBHSA-N 1 3 341.499 3.867 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2conc2Cc2ccccc2)C1 ZINC000550097892 1022421914 /nfs/dbraw/zinc/42/19/14/1022421914.db2.gz YDRRFSUMOSZRKT-GOSISDBHSA-N 1 3 341.499 3.867 20 0 EHADHO CC[NH2+]CC1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000131465326 1022595108 /nfs/dbraw/zinc/59/51/08/1022595108.db2.gz CZNYWEPQKJWBCC-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO Fc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCCC2)c1F ZINC000426059539 1022788736 /nfs/dbraw/zinc/78/87/36/1022788736.db2.gz FMJASBNQPOJEST-HOTGVXAUSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)c1F ZINC000426059539 1022788749 /nfs/dbraw/zinc/78/87/49/1022788749.db2.gz FMJASBNQPOJEST-HOTGVXAUSA-N 1 3 334.454 3.993 20 0 EHADHO C[C@@H]1CN(CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430926715 1022880215 /nfs/dbraw/zinc/88/02/15/1022880215.db2.gz GXGNCKWURLUCGR-CZUORRHYSA-N 1 3 330.394 3.534 20 0 EHADHO COc1ccc(-c2ccccc2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430919572 1022881401 /nfs/dbraw/zinc/88/14/01/1022881401.db2.gz LRGMGQSURFGPSB-UHFFFAOYSA-N 1 3 336.479 3.938 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414941319 1022914858 /nfs/dbraw/zinc/91/48/58/1022914858.db2.gz LNWXOINXKSTWKQ-XYPHTWIQSA-N 1 3 339.321 3.748 20 0 EHADHO C[C@H]([NH3+])C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000430946465 1022930193 /nfs/dbraw/zinc/93/01/93/1022930193.db2.gz WGNNDCRTVCFNAP-LBPRGKRZSA-N 1 3 348.288 3.557 20 0 EHADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000430950914 1022943531 /nfs/dbraw/zinc/94/35/31/1022943531.db2.gz SPLWMVHIRMSOLQ-KRWDZBQOSA-N 1 3 349.563 3.540 20 0 EHADHO C[C@H]1CN(CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430956677 1022957289 /nfs/dbraw/zinc/95/72/89/1022957289.db2.gz PNYVVYFEVCIYEX-ZFWWWQNUSA-N 1 3 330.394 3.534 20 0 EHADHO CC(C)[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000091399202 1023247056 /nfs/dbraw/zinc/24/70/56/1023247056.db2.gz ORUXZXGVPVIMHT-HKBOAZHASA-N 1 3 330.516 3.741 20 0 EHADHO COc1cccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168001309 1023254874 /nfs/dbraw/zinc/25/48/74/1023254874.db2.gz AHPGSPMAANIIGW-CBQMWWCCSA-N 1 3 340.511 3.890 20 0 EHADHO COc1cccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168001309 1023254884 /nfs/dbraw/zinc/25/48/84/1023254884.db2.gz AHPGSPMAANIIGW-CBQMWWCCSA-N 1 3 340.511 3.890 20 0 EHADHO C[C@H](CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039538 1024187759 /nfs/dbraw/zinc/18/77/59/1024187759.db2.gz POPSXWWQEKHVQW-NQIIRXRSSA-N 1 3 330.516 3.646 20 0 EHADHO C[C@H](CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OCc1ccccc1 ZINC000475039538 1024187761 /nfs/dbraw/zinc/18/77/61/1024187761.db2.gz POPSXWWQEKHVQW-NQIIRXRSSA-N 1 3 330.516 3.646 20 0 EHADHO CC(C)C[C@@H](CN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000474105958 1024223783 /nfs/dbraw/zinc/22/37/83/1024223783.db2.gz LVYJFCQVSZHMKZ-QFIPXVFZSA-N 1 3 343.559 3.530 20 0 EHADHO C[C@@H](CCN1CC[C@@H](C[NH+]2CCCCC2)C1)OCc1ccccc1 ZINC000475044280 1024253008 /nfs/dbraw/zinc/25/30/08/1024253008.db2.gz GUCGIHNOWDZZMX-FPOVZHCZSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@@H](CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044280 1024253023 /nfs/dbraw/zinc/25/30/23/1024253023.db2.gz GUCGIHNOWDZZMX-FPOVZHCZSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@@H](CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)OCc1ccccc1 ZINC000475044280 1024253036 /nfs/dbraw/zinc/25/30/36/1024253036.db2.gz GUCGIHNOWDZZMX-FPOVZHCZSA-N 1 3 330.516 3.790 20 0 EHADHO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000425233722 1024484321 /nfs/dbraw/zinc/48/43/21/1024484321.db2.gz GWPNNHMIRBLVFT-MRXNPFEDSA-N 1 3 332.451 3.689 20 0 EHADHO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000425233719 1024484517 /nfs/dbraw/zinc/48/45/17/1024484517.db2.gz GWPNNHMIRBLVFT-INIZCTEOSA-N 1 3 332.451 3.689 20 0 EHADHO CCn1nc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000472053568 1024514850 /nfs/dbraw/zinc/51/48/50/1024514850.db2.gz QNKFGWUREQJXGR-HDICACEKSA-N 1 3 342.531 3.904 20 0 EHADHO CCn1nc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000472053568 1024514861 /nfs/dbraw/zinc/51/48/61/1024514861.db2.gz QNKFGWUREQJXGR-HDICACEKSA-N 1 3 342.531 3.904 20 0 EHADHO Cc1cc(CNCCC[NH2+]Cc2cccnc2)ccc1C(F)(F)F ZINC000414859541 1024518091 /nfs/dbraw/zinc/51/80/91/1024518091.db2.gz MYMAIBBDCYXJDT-UHFFFAOYSA-N 1 3 337.389 3.678 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414860188 1024523648 /nfs/dbraw/zinc/52/36/48/1024523648.db2.gz OSLKNSJISJKINV-INIZCTEOSA-N 1 3 331.504 3.607 20 0 EHADHO C[C@H]1CC([NH2+]Cc2ccc3nccn3c2)C[C@H](C)N1Cc1ccccc1 ZINC001168031843 1024700451 /nfs/dbraw/zinc/70/04/51/1024700451.db2.gz CQVOVMZVLCRBLF-ROUUACIJSA-N 1 3 348.494 3.866 20 0 EHADHO C[N@H+](CCCNCc1cc2ccncc2s1)Cc1ccccc1 ZINC000657296477 1024703674 /nfs/dbraw/zinc/70/36/74/1024703674.db2.gz VKUSXOATKNKJJQ-UHFFFAOYSA-N 1 3 325.481 3.908 20 0 EHADHO C[N@@H+](CCCNCc1cc2ccncc2s1)Cc1ccccc1 ZINC000657296477 1024703690 /nfs/dbraw/zinc/70/36/90/1024703690.db2.gz VKUSXOATKNKJJQ-UHFFFAOYSA-N 1 3 325.481 3.908 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281388062 1024989170 /nfs/dbraw/zinc/98/91/70/1024989170.db2.gz XUOQFUGCNXXTLU-HXUWFJFHSA-N 1 3 327.447 3.913 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281388062 1024989180 /nfs/dbraw/zinc/98/91/80/1024989180.db2.gz XUOQFUGCNXXTLU-HXUWFJFHSA-N 1 3 327.447 3.913 20 0 EHADHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CO1 ZINC000657354831 1025428214 /nfs/dbraw/zinc/42/82/14/1025428214.db2.gz VVTKHZQEGFANFS-MSOLQXFVSA-N 1 3 336.907 3.709 20 0 EHADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000442767398 1025479668 /nfs/dbraw/zinc/47/96/68/1025479668.db2.gz YMSBLRMJCVKPMC-ZWKOTPCHSA-N 1 3 346.478 3.708 20 0 EHADHO C[N@H+](CCCNCc1cc2c(cccc2F)[nH]1)Cc1ccccc1 ZINC000436279839 1025528770 /nfs/dbraw/zinc/52/87/70/1025528770.db2.gz KTRQZCFVWAYMMO-UHFFFAOYSA-N 1 3 325.431 3.919 20 0 EHADHO C[N@@H+](CCCNCc1cc2c(cccc2F)[nH]1)Cc1ccccc1 ZINC000436279839 1025528778 /nfs/dbraw/zinc/52/87/78/1025528778.db2.gz KTRQZCFVWAYMMO-UHFFFAOYSA-N 1 3 325.431 3.919 20 0 EHADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240280 1025530893 /nfs/dbraw/zinc/53/08/93/1025530893.db2.gz KBLJRLSYKBHCFW-APWZRJJASA-N 1 3 338.442 3.506 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1(C)C ZINC000442861554 1025533790 /nfs/dbraw/zinc/53/37/90/1025533790.db2.gz DKWUKBINSARAAQ-HXUWFJFHSA-N 1 3 347.522 3.673 20 0 EHADHO Cc1cc2cc([C@@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)oc2cc1C ZINC000442878318 1025558183 /nfs/dbraw/zinc/55/81/83/1025558183.db2.gz SRQDXGPEJWQQML-QGZVFWFLSA-N 1 3 343.515 3.726 20 0 EHADHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442876689 1025558471 /nfs/dbraw/zinc/55/84/71/1025558471.db2.gz VQPDUWZXFWMCTI-GOSISDBHSA-N 1 3 337.939 3.797 20 0 EHADHO CCOc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167960727 1025642923 /nfs/dbraw/zinc/64/29/23/1025642923.db2.gz ARRKZNSDXBIMDO-IHWFROFDSA-N 1 3 328.500 3.623 20 0 EHADHO CCOc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960727 1025642930 /nfs/dbraw/zinc/64/29/30/1025642930.db2.gz ARRKZNSDXBIMDO-IHWFROFDSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H]1CC([NH2+]Cc2ccccc2CO)C[C@H](C)N1Cc1ccccc1 ZINC001168015824 1025888716 /nfs/dbraw/zinc/88/87/16/1025888716.db2.gz SLFWZEUDCATXME-ROUUACIJSA-N 1 3 338.495 3.710 20 0 EHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1OC ZINC000475213139 1026391525 /nfs/dbraw/zinc/39/15/25/1026391525.db2.gz WCACNSYEFJWPLO-DLBZAZTESA-N 1 3 348.531 3.907 20 0 EHADHO Cc1nc2c(s1)[C@@H](NCCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000122798479 1026733672 /nfs/dbraw/zinc/73/36/72/1026733672.db2.gz GWBJXHBVOBILDJ-SFHVURJKSA-N 1 3 341.524 3.867 20 0 EHADHO Cc1nc2c(s1)[C@@H](NCCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000122798479 1026733684 /nfs/dbraw/zinc/73/36/84/1026733684.db2.gz GWBJXHBVOBILDJ-SFHVURJKSA-N 1 3 341.524 3.867 20 0 EHADHO Cc1ccc2nccc(NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)c2c1 ZINC000302221891 1027093429 /nfs/dbraw/zinc/09/34/29/1027093429.db2.gz MQSHEFWQTGUFAQ-OALUTQOASA-N 1 3 347.462 3.591 20 0 EHADHO Cc1ccc2nccc(NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221891 1027093443 /nfs/dbraw/zinc/09/34/43/1027093443.db2.gz MQSHEFWQTGUFAQ-OALUTQOASA-N 1 3 347.462 3.591 20 0 EHADHO Cc1ccc2nccc(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000302228735 1027099126 /nfs/dbraw/zinc/09/91/26/1027099126.db2.gz QYTDWVDFDKXYQK-IBGZPJMESA-N 1 3 347.462 3.722 20 0 EHADHO Cc1ccc2nccc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000302228735 1027099144 /nfs/dbraw/zinc/09/91/44/1027099144.db2.gz QYTDWVDFDKXYQK-IBGZPJMESA-N 1 3 347.462 3.722 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000061016554 1027280839 /nfs/dbraw/zinc/28/08/39/1027280839.db2.gz FFYFHWVWOWGYDR-UHFFFAOYSA-N 1 3 342.430 3.651 20 0 EHADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453060467 1027308333 /nfs/dbraw/zinc/30/83/33/1027308333.db2.gz MHBJNEJYYUUWAQ-MRXNPFEDSA-N 1 3 338.499 3.612 20 0 EHADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453116696 1027390435 /nfs/dbraw/zinc/39/04/35/1027390435.db2.gz YIPPNCWGILRLJP-ZCNNSNEGSA-N 1 3 341.524 3.984 20 0 EHADHO Cc1cnc([C@@H](C)NC/C=C/C[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000273359195 1027393618 /nfs/dbraw/zinc/39/36/18/1027393618.db2.gz JFCZBTAGWOIVHS-DLPZHFSESA-N 1 3 336.530 3.774 20 0 EHADHO Cc1cnc([C@@H](C)[NH2+]C/C=C/CN[C@@H](C)c2ncc(C)s2)s1 ZINC000273359195 1027393622 /nfs/dbraw/zinc/39/36/22/1027393622.db2.gz JFCZBTAGWOIVHS-DLPZHFSESA-N 1 3 336.530 3.774 20 0 EHADHO C[NH2+]CCC1CCN(Cc2cccc(Br)c2C)CC1 ZINC000420305151 1027453281 /nfs/dbraw/zinc/45/32/81/1027453281.db2.gz JTWFPFKNCVTSQW-UHFFFAOYSA-N 1 3 325.294 3.579 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000420304186 1027453850 /nfs/dbraw/zinc/45/38/50/1027453850.db2.gz LFEXQVWHTFMCGD-FXAWDEMLSA-N 1 3 328.431 3.714 20 0 EHADHO Clc1cccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325137 1027479164 /nfs/dbraw/zinc/47/91/64/1027479164.db2.gz IGMPXLSFCHUUAS-HOTGVXAUSA-N 1 3 345.874 3.817 20 0 EHADHO Clc1ccccc1-c1csc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420324035 1027479831 /nfs/dbraw/zinc/47/98/31/1027479831.db2.gz ANWCLVPKPYBRGP-OKILXGFUSA-N 1 3 347.915 3.895 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331924 1027482260 /nfs/dbraw/zinc/48/22/60/1027482260.db2.gz CHAMPUPGIJEFAN-HUUCEWRRSA-N 1 3 331.485 3.533 20 0 EHADHO c1c2ccccc2[nH]c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613488 1027632311 /nfs/dbraw/zinc/63/23/11/1027632311.db2.gz LIFIMRRVTSYZKP-UHFFFAOYSA-N 1 3 334.467 3.565 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000503435038 1027788905 /nfs/dbraw/zinc/78/89/05/1027788905.db2.gz SMXXPPFGUYVGGP-PXNSSMCTSA-N 1 3 349.950 3.581 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCCCCC1 ZINC000422755244 1027924182 /nfs/dbraw/zinc/92/41/82/1027924182.db2.gz GMONKABZMZSLLI-CTNGQTDRSA-N 1 3 344.499 3.571 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCO[C@@H](C)c1ccccc1 ZINC000422779708 1027936932 /nfs/dbraw/zinc/93/69/32/1027936932.db2.gz GJHCKKFIEPJUFB-WFXMLNOXSA-N 1 3 326.484 3.702 20 0 EHADHO COc1ccccc1C[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422832489 1027975738 /nfs/dbraw/zinc/97/57/38/1027975738.db2.gz XSGSNTMICNRCJE-UZLBHIALSA-N 1 3 341.499 3.775 20 0 EHADHO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccsc1 ZINC000422859445 1027997307 /nfs/dbraw/zinc/99/73/07/1027997307.db2.gz KAYQJLPKDNOELS-KUHUBIRLSA-N 1 3 346.544 3.644 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422900716 1028036575 /nfs/dbraw/zinc/03/65/75/1028036575.db2.gz QXFMAFQIAFHSIE-QAPCUYQASA-N 1 3 329.419 3.620 20 0 EHADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000422906947 1028039480 /nfs/dbraw/zinc/03/94/80/1028039480.db2.gz KQPBFRHSMIGZRI-XYPWUTKMSA-N 1 3 326.406 3.856 20 0 EHADHO CC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1ccccc1C ZINC000422920417 1028076351 /nfs/dbraw/zinc/07/63/51/1028076351.db2.gz MTEIWTJLJUUPAL-MAUKXSAKSA-N 1 3 327.472 3.665 20 0 EHADHO COc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000533557606 1028078644 /nfs/dbraw/zinc/07/86/44/1028078644.db2.gz IWTJVIPLQMUZLG-UHFFFAOYSA-N 1 3 334.479 3.922 20 0 EHADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422947473 1028085662 /nfs/dbraw/zinc/08/56/62/1028085662.db2.gz QFDZBVMTQWOAIA-BBWFWOEESA-N 1 3 342.405 3.595 20 0 EHADHO COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000502366552 1028145984 /nfs/dbraw/zinc/14/59/84/1028145984.db2.gz AWWKYRBQPANSDS-PCCBWWKXSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1cc2cc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2[nH]1 ZINC000423103811 1028197796 /nfs/dbraw/zinc/19/77/96/1028197796.db2.gz GQABGJMWHKFYBJ-UNMCSNQZSA-N 1 3 347.462 3.822 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1OC ZINC000502472028 1028231562 /nfs/dbraw/zinc/23/15/62/1028231562.db2.gz LGKKYOHPXUXKAO-QZTJIDSGSA-N 1 3 348.531 3.797 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-c2ccncc2)cc1 ZINC000423191776 1028260537 /nfs/dbraw/zinc/26/05/37/1028260537.db2.gz TXTUIEHWEYYCLK-SFHVURJKSA-N 1 3 346.478 3.974 20 0 EHADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272591 1028336048 /nfs/dbraw/zinc/33/60/48/1028336048.db2.gz JWFRVDMFXGTHKD-HUUCEWRRSA-N 1 3 333.476 3.900 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000423296784 1028355650 /nfs/dbraw/zinc/35/56/50/1028355650.db2.gz ZVPNWCJXBCKDEC-GJZGRUSLSA-N 1 3 326.440 3.718 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(N)CCC3)s2)cc1 ZINC000423323466 1028361877 /nfs/dbraw/zinc/36/18/77/1028361877.db2.gz JLVQNMOTGOSGMA-LBPRGKRZSA-N 1 3 331.485 3.659 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000246873277 1028705377 /nfs/dbraw/zinc/70/53/77/1028705377.db2.gz CREUDSBTHGVDHZ-LNLFQRSKSA-N 1 3 334.504 3.625 20 0 EHADHO Cc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000414773642 1028792555 /nfs/dbraw/zinc/79/25/55/1028792555.db2.gz DQKCZOAIGJYXIP-STQMWFEESA-N 1 3 343.334 3.641 20 0 EHADHO CC(=O)Nc1cccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000123597804 1028966932 /nfs/dbraw/zinc/96/69/32/1028966932.db2.gz ZBGVTEIMGCMSOL-HNNXBMFYSA-N 1 3 325.456 3.557 20 0 EHADHO Cc1nc2c(s1)[C@H](N(C)Cc1ccc3c(c1)C[NH2+]CC3)CCC2 ZINC000583147608 1028984268 /nfs/dbraw/zinc/98/42/68/1028984268.db2.gz OYNUEGJLVAIQHU-GOSISDBHSA-N 1 3 327.497 3.607 20 0 EHADHO C[C@@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797966 1029148237 /nfs/dbraw/zinc/14/82/37/1029148237.db2.gz XADIMPHKCSGZCK-WMLDXEAASA-N 1 3 326.406 3.884 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271801753 1029176851 /nfs/dbraw/zinc/17/68/51/1029176851.db2.gz SHARGJPGSJOTHE-DNVCBOLYSA-N 1 3 329.488 3.560 20 0 EHADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccc(Br)cc1F ZINC000414810441 1029292606 /nfs/dbraw/zinc/29/26/06/1029292606.db2.gz OAWVVQODIZNTLS-LLVKDONJSA-N 1 3 331.273 3.626 20 0 EHADHO CCC(N)(CC)C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414810441 1029292619 /nfs/dbraw/zinc/29/26/19/1029292619.db2.gz OAWVVQODIZNTLS-LLVKDONJSA-N 1 3 331.273 3.626 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)cc1Cl ZINC000414836645 1029512282 /nfs/dbraw/zinc/51/22/82/1029512282.db2.gz FXKJBTPMVAZHHV-CQSZACIVSA-N 1 3 337.895 3.617 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000193159614 1029546611 /nfs/dbraw/zinc/54/66/11/1029546611.db2.gz IZJGUQXFGXWEHL-KRWDZBQOSA-N 1 3 335.289 3.653 20 0 EHADHO C[NH2+]CCC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000262027127 1029552939 /nfs/dbraw/zinc/55/29/39/1029552939.db2.gz ZYXPBPUKPVLUNQ-UHFFFAOYSA-N 1 3 325.456 3.695 20 0 EHADHO Cc1nc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000272683327 1029566457 /nfs/dbraw/zinc/56/64/57/1029566457.db2.gz SXESSCWFISDCQW-APWZRJJASA-N 1 3 343.540 3.803 20 0 EHADHO CCOc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC000126528545 1029741612 /nfs/dbraw/zinc/74/16/12/1029741612.db2.gz YKBIRYVHZGJQII-IYHXRUFHSA-N 1 3 330.472 3.514 20 0 EHADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647291136 1029799715 /nfs/dbraw/zinc/79/97/15/1029799715.db2.gz GVTSBQPTOADOCW-QGZVFWFLSA-N 1 3 332.536 3.628 20 0 EHADHO COc1cc(Cl)c(CNCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000446884983 1029846920 /nfs/dbraw/zinc/84/69/20/1029846920.db2.gz SQBDNOQCUCOKMO-UHFFFAOYSA-N 1 3 343.298 3.966 20 0 EHADHO Cc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000446887063 1029847233 /nfs/dbraw/zinc/84/72/33/1029847233.db2.gz NPBKKPUSPFBACN-UHFFFAOYSA-N 1 3 337.305 3.722 20 0 EHADHO O[C@@]1(CNCc2cccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000525463904 1029858713 /nfs/dbraw/zinc/85/87/13/1029858713.db2.gz DHVMRMWSFCIISL-HSZRJFAPSA-N 1 3 346.474 3.566 20 0 EHADHO O[C@@]1(CNCc2cccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000525463904 1029858717 /nfs/dbraw/zinc/85/87/17/1029858717.db2.gz DHVMRMWSFCIISL-HSZRJFAPSA-N 1 3 346.474 3.566 20 0 EHADHO CCC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000090522371 1030134870 /nfs/dbraw/zinc/13/48/70/1030134870.db2.gz GOUXJIPJKZIVIA-HBMCJLEFSA-N 1 3 330.516 3.885 20 0 EHADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000278417634 1030719002 /nfs/dbraw/zinc/71/90/02/1030719002.db2.gz IIFJTNCJMKFVEK-CYBMUJFWSA-N 1 3 346.906 3.752 20 0 EHADHO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000482954698 1030847231 /nfs/dbraw/zinc/84/72/31/1030847231.db2.gz XWVQXWQRXVNOMG-KSEOMHKRSA-N 1 3 343.559 3.751 20 0 EHADHO CCc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272553 1030885841 /nfs/dbraw/zinc/88/58/41/1030885841.db2.gz AMXVIXCONXOAGV-RTWAWAEBSA-N 1 3 335.495 3.598 20 0 EHADHO CCc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1 ZINC000393272553 1030885862 /nfs/dbraw/zinc/88/58/62/1030885862.db2.gz AMXVIXCONXOAGV-RTWAWAEBSA-N 1 3 335.495 3.598 20 0 EHADHO CCc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000393272551 1030886545 /nfs/dbraw/zinc/88/65/45/1030886545.db2.gz AMXVIXCONXOAGV-LEWJYISDSA-N 1 3 335.495 3.598 20 0 EHADHO CCc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000393272551 1030886566 /nfs/dbraw/zinc/88/65/66/1030886566.db2.gz AMXVIXCONXOAGV-LEWJYISDSA-N 1 3 335.495 3.598 20 0 EHADHO c1cc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2[nH]1 ZINC000527726266 1031156425 /nfs/dbraw/zinc/15/64/25/1031156425.db2.gz NOHQAVVXFOCXTM-UHFFFAOYSA-N 1 3 334.467 3.565 20 0 EHADHO CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000527848930 1031366549 /nfs/dbraw/zinc/36/65/49/1031366549.db2.gz KOIZRRQMUUVHJK-RTBURBONSA-N 1 3 331.548 3.878 20 0 EHADHO CC1([NH2+]C2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)CC1 ZINC001168368627 1031456013 /nfs/dbraw/zinc/45/60/13/1031456013.db2.gz NFJKGIVVRMDGBX-UHFFFAOYSA-N 1 3 341.543 3.505 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000178037918 1031610367 /nfs/dbraw/zinc/61/03/67/1031610367.db2.gz JBLSHYQCOXXNEA-ZNMIVQPWSA-N 1 3 326.431 3.505 20 0 EHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000594494859 1033395955 /nfs/dbraw/zinc/39/59/55/1033395955.db2.gz JJBQJERMUORVDU-UZLBHIALSA-N 1 3 344.499 3.561 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000106478459 1033582885 /nfs/dbraw/zinc/58/28/85/1033582885.db2.gz IMOHKPXXVWTAQB-OAQYLSRUSA-N 1 3 342.458 3.933 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000106478462 1033583948 /nfs/dbraw/zinc/58/39/48/1033583948.db2.gz IMOHKPXXVWTAQB-NRFANRHFSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H](CSCCF)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000595037524 1033657985 /nfs/dbraw/zinc/65/79/85/1033657985.db2.gz GYIGWVJNEVHMMI-HKUYNNGSSA-N 1 3 338.536 3.970 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000685665217 1033714235 /nfs/dbraw/zinc/71/42/35/1033714235.db2.gz OINCMFZFGPYXJQ-ICSRJNTNSA-N 1 3 330.516 3.693 20 0 EHADHO COC1CC(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000658054857 1033886205 /nfs/dbraw/zinc/88/62/05/1033886205.db2.gz FGQABJJHLACBNB-NPRSCZTNSA-N 1 3 342.527 3.692 20 0 EHADHO Cc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Br ZINC000322755633 1033990830 /nfs/dbraw/zinc/99/08/30/1033990830.db2.gz YIGIFLAWDQTSOL-YOGCLGLASA-N 1 3 329.307 3.534 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658165435 1034028571 /nfs/dbraw/zinc/02/85/71/1034028571.db2.gz JPHPPCIPLFIDMY-JOCHJYFZSA-N 1 3 335.495 3.879 20 0 EHADHO CCc1cccnc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165758 1034029235 /nfs/dbraw/zinc/02/92/35/1034029235.db2.gz LOASBZWBYBVNBR-QGZVFWFLSA-N 1 3 338.499 3.602 20 0 EHADHO Cc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000119065801 1034076897 /nfs/dbraw/zinc/07/68/97/1034076897.db2.gz RFPSGADGZJZACQ-INIZCTEOSA-N 1 3 330.447 3.925 20 0 EHADHO C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000658236823 1034101629 /nfs/dbraw/zinc/10/16/29/1034101629.db2.gz BTPSTRDOMXBIFH-QVKFZJNVSA-N 1 3 340.467 3.671 20 0 EHADHO c1nc(CC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000450450176 1034354285 /nfs/dbraw/zinc/35/42/85/1034354285.db2.gz DRLXMAKTTKNVSC-FQEVSTJZSA-N 1 3 341.524 3.674 20 0 EHADHO c1nc(CC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cs1 ZINC000450450176 1034354295 /nfs/dbraw/zinc/35/42/95/1034354295.db2.gz DRLXMAKTTKNVSC-FQEVSTJZSA-N 1 3 341.524 3.674 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000450540990 1034514862 /nfs/dbraw/zinc/51/48/62/1034514862.db2.gz PRVYXZZDOZRLQG-FQEVSTJZSA-N 1 3 325.456 3.554 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000450540990 1034514864 /nfs/dbraw/zinc/51/48/64/1034514864.db2.gz PRVYXZZDOZRLQG-FQEVSTJZSA-N 1 3 325.456 3.554 20 0 EHADHO COc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c(C)c1 ZINC000414077274 1035450030 /nfs/dbraw/zinc/45/00/30/1035450030.db2.gz PSNKMTKBEZMZNH-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000588178065 1035805001 /nfs/dbraw/zinc/80/50/01/1035805001.db2.gz HQMFDJPVFCTGRZ-SILNSSARSA-N 1 3 349.522 3.627 20 0 EHADHO C[C@@H](CCc1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709925 1035979345 /nfs/dbraw/zinc/97/93/45/1035979345.db2.gz GFEUSKODTRRXAB-XUVXKRRUSA-N 1 3 344.543 3.829 20 0 EHADHO C[C@H](c1ccccc1F)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709369 1035980205 /nfs/dbraw/zinc/98/02/05/1035980205.db2.gz AIAIUNYRZAIGDH-IXDOHACOSA-N 1 3 334.479 3.708 20 0 EHADHO C[C@H](c1ccccc1F)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709369 1035980216 /nfs/dbraw/zinc/98/02/16/1035980216.db2.gz AIAIUNYRZAIGDH-IXDOHACOSA-N 1 3 334.479 3.708 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194677 1035995339 /nfs/dbraw/zinc/99/53/39/1035995339.db2.gz UONANMLIYUWZHM-KGLIPLIRSA-N 1 3 334.895 3.609 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000414194677 1035995353 /nfs/dbraw/zinc/99/53/53/1035995353.db2.gz UONANMLIYUWZHM-KGLIPLIRSA-N 1 3 334.895 3.609 20 0 EHADHO CCOC1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000189263426 1036048087 /nfs/dbraw/zinc/04/80/87/1036048087.db2.gz ZXXFLIBFFUEHGT-DHCGTZGXSA-N 1 3 342.527 3.692 20 0 EHADHO Cc1cc([C@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000414313968 1036613979 /nfs/dbraw/zinc/61/39/79/1036613979.db2.gz ZDOMMUGIOIYMJG-KRWDZBQOSA-N 1 3 342.483 3.574 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769512 1036638064 /nfs/dbraw/zinc/63/80/64/1036638064.db2.gz IJJNPICHZFCQRU-HOJAQTOUSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769512 1036638077 /nfs/dbraw/zinc/63/80/77/1036638077.db2.gz IJJNPICHZFCQRU-HOJAQTOUSA-N 1 3 340.515 3.762 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)c2cccnc2)CC1 ZINC000414340626 1036781322 /nfs/dbraw/zinc/78/13/22/1036781322.db2.gz UURDCBXQXAXJRY-PXNSSMCTSA-N 1 3 329.532 3.992 20 0 EHADHO CN1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000414370494 1037052502 /nfs/dbraw/zinc/05/25/02/1037052502.db2.gz WLDILIMVQRXTLX-FCHUYYIVSA-N 1 3 341.543 3.819 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000573046204 1037168944 /nfs/dbraw/zinc/16/89/44/1037168944.db2.gz VAQNJNFWYMZZLR-HUUCEWRRSA-N 1 3 328.422 3.956 20 0 EHADHO c1ccc(CN2CC[C@H](C[NH2+]Cc3cccc4c3NCCC4)C2)cc1 ZINC000311027225 1037174144 /nfs/dbraw/zinc/17/41/44/1037174144.db2.gz PJBGBZOIAORRLR-LJQANCHMSA-N 1 3 335.495 3.656 20 0 EHADHO C[C@H](N[C@@H]1CCCc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000423214279 1037181910 /nfs/dbraw/zinc/18/19/10/1037181910.db2.gz LBAICRMNCYZQNQ-RVSPLBMKSA-N 1 3 337.305 3.804 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461546 1037365085 /nfs/dbraw/zinc/36/50/85/1037365085.db2.gz TXLWQDWGNFEPKW-LSTHTHJFSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461546 1037365098 /nfs/dbraw/zinc/36/50/98/1037365098.db2.gz TXLWQDWGNFEPKW-LSTHTHJFSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)[C@H](C)C1 ZINC000532461546 1037365107 /nfs/dbraw/zinc/36/51/07/1037365107.db2.gz TXLWQDWGNFEPKW-LSTHTHJFSA-N 1 3 349.950 3.797 20 0 EHADHO COc1cccc([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000171129787 1037467286 /nfs/dbraw/zinc/46/72/86/1037467286.db2.gz OZZPUPZBNUKYDH-QGZVFWFLSA-N 1 3 342.483 3.877 20 0 EHADHO Cc1ccc([C@@H]2OCCC[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000532524824 1037552045 /nfs/dbraw/zinc/55/20/45/1037552045.db2.gz ZXQGANNOOKFKLD-SFTDATJTSA-N 1 3 328.500 3.679 20 0 EHADHO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2F)c1)CN(C)C ZINC000491597515 1037579350 /nfs/dbraw/zinc/57/93/50/1037579350.db2.gz WGWIMBNZYAIDJS-MRXNPFEDSA-N 1 3 330.447 3.692 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928618 1037725902 /nfs/dbraw/zinc/72/59/02/1037725902.db2.gz VCIATHOVPGOMNL-CZUORRHYSA-N 1 3 337.305 3.676 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928618 1037725920 /nfs/dbraw/zinc/72/59/20/1037725920.db2.gz VCIATHOVPGOMNL-CZUORRHYSA-N 1 3 337.305 3.676 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493928618 1037725934 /nfs/dbraw/zinc/72/59/34/1037725934.db2.gz VCIATHOVPGOMNL-CZUORRHYSA-N 1 3 337.305 3.676 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCCCC2)CCN1Cc1ccccc1 ZINC000463143424 1037791539 /nfs/dbraw/zinc/79/15/39/1037791539.db2.gz SIGDQCHZOBRINM-CTNGQTDRSA-N 1 3 343.559 3.894 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCCO1 ZINC000542474859 1037888406 /nfs/dbraw/zinc/88/84/06/1037888406.db2.gz PZOKTPFEYWEPSH-DNVCBOLYSA-N 1 3 336.907 3.709 20 0 EHADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183145692 1037933770 /nfs/dbraw/zinc/93/37/70/1037933770.db2.gz FUKQKQKHRNXPRP-QHAWAJNXSA-N 1 3 344.543 3.675 20 0 EHADHO CC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnn(C)c1 ZINC000163924293 1038358934 /nfs/dbraw/zinc/35/89/34/1038358934.db2.gz ASZVBNQXJVTPSW-HXUWFJFHSA-N 1 3 326.488 3.647 20 0 EHADHO CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N(CC)CC ZINC000461885552 1038649615 /nfs/dbraw/zinc/64/96/15/1038649615.db2.gz VQPLJVUWMLOLCI-FQEVSTJZSA-N 1 3 345.531 3.977 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[C@@H](C)O1 ZINC000539073765 1038671648 /nfs/dbraw/zinc/67/16/48/1038671648.db2.gz YJOVMAMEECYBQA-RMVXJAJNSA-N 1 3 330.516 3.802 20 0 EHADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919195 1039047720 /nfs/dbraw/zinc/04/77/20/1039047720.db2.gz KHEXJCSYSVWHRQ-GOSISDBHSA-N 1 3 348.531 3.737 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000552338602 1039211238 /nfs/dbraw/zinc/21/12/38/1039211238.db2.gz IXCFLRYUIQAQAC-YOEHRIQHSA-N 1 3 337.895 3.521 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000552338602 1039211255 /nfs/dbraw/zinc/21/12/55/1039211255.db2.gz IXCFLRYUIQAQAC-YOEHRIQHSA-N 1 3 337.895 3.521 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417303274 1039643586 /nfs/dbraw/zinc/64/35/86/1039643586.db2.gz ADCOCHDUCLYNSI-HSFUPAIVSA-N 1 3 336.545 3.719 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)CC3 ZINC000490124606 1040364707 /nfs/dbraw/zinc/36/47/07/1040364707.db2.gz KUGBAHNEBMCQLM-IRXDYDNUSA-N 1 3 325.500 3.655 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CC4)[C@@H]3C2)cc1 ZINC000512648473 1040387804 /nfs/dbraw/zinc/38/78/04/1040387804.db2.gz NIUFBQVEQHBOCU-BHDDXSALSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCC(=O)OC(C)(C)C)CC2)C1 ZINC000512963737 1041305615 /nfs/dbraw/zinc/30/56/15/1041305615.db2.gz IHPUSGZYRMCWOO-AEFFLSMTSA-N 1 3 338.536 3.741 20 0 EHADHO Brc1ccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000212271818 1042619873 /nfs/dbraw/zinc/61/98/73/1042619873.db2.gz VPSQWDNRVCGRAH-AWEZNQCLSA-N 1 3 337.305 3.628 20 0 EHADHO Fc1ccc(-c2cnc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662291884 1042662680 /nfs/dbraw/zinc/66/26/80/1042662680.db2.gz AJAPCIGAJZOPHE-QGZVFWFLSA-N 1 3 343.446 3.692 20 0 EHADHO c1nc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1-c1ccccc1 ZINC000662293806 1042663616 /nfs/dbraw/zinc/66/36/16/1042663616.db2.gz OCYHBLDBYLITAE-GOSISDBHSA-N 1 3 325.456 3.553 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313722 1042682070 /nfs/dbraw/zinc/68/20/70/1042682070.db2.gz YDFYMYMFYKXOOW-VQIMIIECSA-N 1 3 345.531 3.896 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663471813 1042902650 /nfs/dbraw/zinc/90/26/50/1042902650.db2.gz YMCMXKSBYNTTIP-AEFFLSMTSA-N 1 3 340.515 3.596 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925778170 1042905585 /nfs/dbraw/zinc/90/55/85/1042905585.db2.gz IHCSEVZEEOTRPQ-OCCSQVGLSA-N 1 3 347.247 3.735 20 0 EHADHO CC(C)[C@H]([NH3+])CCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000663503321 1042954193 /nfs/dbraw/zinc/95/41/93/1042954193.db2.gz ONMYMZXRSGPUTB-OAHLLOKOSA-N 1 3 340.393 3.559 20 0 EHADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420559 1043148108 /nfs/dbraw/zinc/14/81/08/1043148108.db2.gz KZVYEWMVJKECOI-HNAYVOBHSA-N 1 3 340.458 3.752 20 0 EHADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000432420559 1043148120 /nfs/dbraw/zinc/14/81/20/1043148120.db2.gz KZVYEWMVJKECOI-HNAYVOBHSA-N 1 3 340.458 3.752 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418094 1043151227 /nfs/dbraw/zinc/15/12/27/1043151227.db2.gz PWTYTKXMPHOGMQ-UZLBHIALSA-N 1 3 346.515 3.508 20 0 EHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418094 1043151231 /nfs/dbraw/zinc/15/12/31/1043151231.db2.gz PWTYTKXMPHOGMQ-UZLBHIALSA-N 1 3 346.515 3.508 20 0 EHADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000344303265 1043616983 /nfs/dbraw/zinc/61/69/83/1043616983.db2.gz SPLDAMYXZANATI-FDFHNCONSA-N 1 3 342.527 3.885 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000154214847 1125704325 /nfs/dbraw/zinc/70/43/25/1125704325.db2.gz IFPPCFNCIOSXTO-LJQANCHMSA-N 1 3 331.548 3.563 20 0 EHADHO COCC[NH+]1CCC(N[C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154736429 1125753310 /nfs/dbraw/zinc/75/33/10/1125753310.db2.gz MPMBZROTSSOEHI-QGZVFWFLSA-N 1 3 343.298 3.681 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000155017879 1125775573 /nfs/dbraw/zinc/77/55/73/1125775573.db2.gz OQENWDUSTNXWJC-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000155017879 1125775578 /nfs/dbraw/zinc/77/55/78/1125775578.db2.gz OQENWDUSTNXWJC-GCJKJVERSA-N 1 3 338.495 3.833 20 0 EHADHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000174400240 1126851951 /nfs/dbraw/zinc/85/19/51/1126851951.db2.gz QLUHAWBYMIUZRQ-IBGZPJMESA-N 1 3 342.458 3.788 20 0 EHADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000174400240 1126851955 /nfs/dbraw/zinc/85/19/55/1126851955.db2.gz QLUHAWBYMIUZRQ-IBGZPJMESA-N 1 3 342.458 3.788 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc3c[nH]nc3c2)CC1 ZINC000671301271 1126885268 /nfs/dbraw/zinc/88/52/68/1126885268.db2.gz DEQUZOCDAJFKRQ-IIBYNOLFSA-N 1 3 340.515 3.738 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1(C)C ZINC000623364129 1126930956 /nfs/dbraw/zinc/93/09/56/1126930956.db2.gz UWGWVNDKTAUJHP-IBGZPJMESA-N 1 3 343.515 3.778 20 0 EHADHO CC(C)Oc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525548 1126975452 /nfs/dbraw/zinc/97/54/52/1126975452.db2.gz RCNAMLBKVTYYHL-UYAOXDASSA-N 1 3 347.547 3.539 20 0 EHADHO CC(C)Oc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525548 1126975453 /nfs/dbraw/zinc/97/54/53/1126975453.db2.gz RCNAMLBKVTYYHL-UYAOXDASSA-N 1 3 347.547 3.539 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180633594 1127177574 /nfs/dbraw/zinc/17/75/74/1127177574.db2.gz CDKNFQVFSLHMEQ-SFHVURJKSA-N 1 3 340.515 3.811 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180633594 1127177577 /nfs/dbraw/zinc/17/75/77/1127177577.db2.gz CDKNFQVFSLHMEQ-SFHVURJKSA-N 1 3 340.515 3.811 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861045 1127200642 /nfs/dbraw/zinc/20/06/42/1127200642.db2.gz NBQVAYXOIYFWAZ-RYUDHWBXSA-N 1 3 330.369 3.979 20 0 EHADHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(C)sc1C ZINC000623978601 1127227025 /nfs/dbraw/zinc/22/70/25/1127227025.db2.gz YTTWXAKTAXNXDC-SFHVURJKSA-N 1 3 337.577 3.822 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)cc1 ZINC000624120410 1127255448 /nfs/dbraw/zinc/25/54/48/1127255448.db2.gz YJSPRCVUWPUQAP-UONOGXRCSA-N 1 3 325.294 3.832 20 0 EHADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000624224913 1127322341 /nfs/dbraw/zinc/32/23/41/1127322341.db2.gz DQAXFMZOAWBFKX-INIZCTEOSA-N 1 3 339.886 3.520 20 0 EHADHO C[C@@H](CC1CCCCC1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183331643 1127372885 /nfs/dbraw/zinc/37/28/85/1127372885.db2.gz DIRNQWIEKIQOMB-FPOVZHCZSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@@H](CC1CCCCC1)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183331643 1127372888 /nfs/dbraw/zinc/37/28/88/1127372888.db2.gz DIRNQWIEKIQOMB-FPOVZHCZSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185663826 1127429576 /nfs/dbraw/zinc/42/95/76/1127429576.db2.gz ISHAPCCFRARFIS-IRXDYDNUSA-N 1 3 334.479 3.837 20 0 EHADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000383765967 1127556962 /nfs/dbraw/zinc/55/69/62/1127556962.db2.gz FSLFBMBPQPRCHI-INDMIFKZSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c2ccccc21 ZINC000765066372 1127571566 /nfs/dbraw/zinc/57/15/66/1127571566.db2.gz FSUJNCGVODLRPT-LSDHHAIUSA-N 1 3 332.875 3.601 20 0 EHADHO CC[NH+]1CCC(CCNCc2cscc2Br)CC1 ZINC000352787933 1128450820 /nfs/dbraw/zinc/45/08/20/1128450820.db2.gz LSOFBPHJZAHKMM-UHFFFAOYSA-N 1 3 331.323 3.722 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H](CC)[NH+]2CCCC2)c2ccccc21 ZINC000338692884 1128611140 /nfs/dbraw/zinc/61/11/40/1128611140.db2.gz KFLGOCZJBQGZOP-AHRSYUTCSA-N 1 3 344.499 3.632 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000191376757 1120670581 /nfs/dbraw/zinc/67/05/81/1120670581.db2.gz IMYKHWQBNUGICY-SFHVURJKSA-N 1 3 343.515 3.842 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000191376757 1120670585 /nfs/dbraw/zinc/67/05/85/1120670585.db2.gz IMYKHWQBNUGICY-SFHVURJKSA-N 1 3 343.515 3.842 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](NC/C(C)=C/c2ccccc2)[C@H](C)C1 ZINC000192684549 1120743085 /nfs/dbraw/zinc/74/30/85/1120743085.db2.gz ZFFTVWGTRFXQFW-VOQYTTBISA-N 1 3 330.516 3.817 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](NC/C(C)=C/c2ccccc2)[C@H](C)C1 ZINC000192684549 1120743090 /nfs/dbraw/zinc/74/30/90/1120743090.db2.gz ZFFTVWGTRFXQFW-VOQYTTBISA-N 1 3 330.516 3.817 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000192792701 1120748969 /nfs/dbraw/zinc/74/89/69/1120748969.db2.gz ZZEAQSMUDFZWIC-QFIPXVFZSA-N 1 3 343.559 3.924 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000232649202 1121136012 /nfs/dbraw/zinc/13/60/12/1121136012.db2.gz OMGZMEXTFNTWCX-HOCLYGCPSA-N 1 3 339.321 3.700 20 0 EHADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650379 1121397231 /nfs/dbraw/zinc/39/72/31/1121397231.db2.gz QJOIKKCCQFPCHR-YLJYHZDGSA-N 1 3 346.515 3.553 20 0 EHADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650379 1121397238 /nfs/dbraw/zinc/39/72/38/1121397238.db2.gz QJOIKKCCQFPCHR-YLJYHZDGSA-N 1 3 346.515 3.553 20 0 EHADHO CC(C)(C)OC(=O)Nc1cccc(C2CCN(CCC[NH3+])CC2)c1 ZINC000496912785 1122205061 /nfs/dbraw/zinc/20/50/61/1122205061.db2.gz QFBPAFUBTAHMCZ-UHFFFAOYSA-N 1 3 333.476 3.562 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)c2ccccc21 ZINC000338791677 1129053231 /nfs/dbraw/zinc/05/32/31/1129053231.db2.gz ZSNDGFDTCIQCRI-FIYPYCPBSA-N 1 3 344.499 3.631 20 0 EHADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000068722525 1122688568 /nfs/dbraw/zinc/68/85/68/1122688568.db2.gz GAFXHZLXEBFBKO-AWEZNQCLSA-N 1 3 341.480 3.988 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000556232889 1122885582 /nfs/dbraw/zinc/88/55/82/1122885582.db2.gz LMJHSCISTKLELV-UKAVVXHISA-N 1 3 342.527 3.549 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233822 1122886715 /nfs/dbraw/zinc/88/67/15/1122886715.db2.gz SIXGWJFQTOXIKM-NQIIRXRSSA-N 1 3 342.527 3.693 20 0 EHADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132346034 1123220426 /nfs/dbraw/zinc/22/04/26/1123220426.db2.gz JRAWTUFMMKAZBS-HNNXBMFYSA-N 1 3 329.410 3.655 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000249187850 1124744196 /nfs/dbraw/zinc/74/41/96/1124744196.db2.gz LRSZKPPJSDAVOW-IRXDYDNUSA-N 1 3 338.417 3.953 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000249187850 1124744205 /nfs/dbraw/zinc/74/42/05/1124744205.db2.gz LRSZKPPJSDAVOW-IRXDYDNUSA-N 1 3 338.417 3.953 20 0 EHADHO CC[C@H](COC)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182999616 1125416881 /nfs/dbraw/zinc/41/68/81/1125416881.db2.gz WMVIHKOYOULSKN-VQIMIIECSA-N 1 3 334.504 3.757 20 0 EHADHO COc1cc(C)cc(OC)c1CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001143142134 1129437041 /nfs/dbraw/zinc/43/70/41/1129437041.db2.gz AJNMSXCDMBHCAM-UHFFFAOYSA-N 1 3 346.515 3.566 20 0 EHADHO COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000174265364 1130346025 /nfs/dbraw/zinc/34/60/25/1130346025.db2.gz CZZGUKYYCQPMJM-GOSISDBHSA-N 1 3 336.479 3.936 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157122 1130592859 /nfs/dbraw/zinc/59/28/59/1130592859.db2.gz FNDABSWQBRPAMV-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157122 1130592866 /nfs/dbraw/zinc/59/28/66/1130592866.db2.gz FNDABSWQBRPAMV-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CC(C)[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccccn1 ZINC000736648202 1131429438 /nfs/dbraw/zinc/42/94/38/1131429438.db2.gz SVYATJOUPZPUPP-OAQYLSRUSA-N 1 3 341.499 3.899 20 0 EHADHO CC(C)COCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172467542 1131754530 /nfs/dbraw/zinc/75/45/30/1131754530.db2.gz LBEFBXXSPNIRDD-QGZVFWFLSA-N 1 3 336.495 3.613 20 0 EHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001172573043 1131777344 /nfs/dbraw/zinc/77/73/44/1131777344.db2.gz VQJJVTIENSXDJQ-MCIONIFRSA-N 1 3 342.861 3.823 20 0 EHADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001172573043 1131777350 /nfs/dbraw/zinc/77/73/50/1131777350.db2.gz VQJJVTIENSXDJQ-MCIONIFRSA-N 1 3 342.861 3.823 20 0 EHADHO CC1(C)CC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC(C)(C)O1 ZINC001172653971 1131800987 /nfs/dbraw/zinc/80/09/87/1131800987.db2.gz RDROGKNETFDVMR-UHFFFAOYSA-N 1 3 345.531 3.619 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206185482 1131937576 /nfs/dbraw/zinc/93/75/76/1131937576.db2.gz NYYYWCJCCISNBK-PMACEKPBSA-N 1 3 342.458 3.835 20 0 EHADHO Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206185482 1131937582 /nfs/dbraw/zinc/93/75/82/1131937582.db2.gz NYYYWCJCCISNBK-PMACEKPBSA-N 1 3 342.458 3.835 20 0 EHADHO [NH3+]C1(c2cccc(F)c2)CCN(C2CCC3(CCOCC3)CC2)CC1 ZINC001173045529 1131941454 /nfs/dbraw/zinc/94/14/54/1131941454.db2.gz YRPSIBOTBJHRKP-UHFFFAOYSA-N 1 3 346.490 3.815 20 0 EHADHO N[C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001206212821 1132126762 /nfs/dbraw/zinc/12/67/62/1132126762.db2.gz SDECJORSPDJGCE-SJORKVTESA-N 1 3 333.838 3.663 20 0 EHADHO N[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC001206212821 1132126767 /nfs/dbraw/zinc/12/67/67/1132126767.db2.gz SDECJORSPDJGCE-SJORKVTESA-N 1 3 333.838 3.663 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000191608886 1132464699 /nfs/dbraw/zinc/46/46/99/1132464699.db2.gz LKBMRODPLJLDJS-HXUWFJFHSA-N 1 3 349.538 3.919 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCOCC1)C2 ZINC001169099571 1132656381 /nfs/dbraw/zinc/65/63/81/1132656381.db2.gz BTAGQBYMFCLHJP-CLWJZODNSA-N 1 3 332.463 3.508 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117319 1132662179 /nfs/dbraw/zinc/66/21/79/1132662179.db2.gz YGVLYXCSRPJGMP-MPTYRVRUSA-N 1 3 339.405 3.766 20 0 EHADHO CCN(Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144667 1132675194 /nfs/dbraw/zinc/67/51/94/1132675194.db2.gz LRGVYNBEHZAKQF-BJWYYQGGSA-N 1 3 337.305 3.896 20 0 EHADHO CCN(Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144667 1132675198 /nfs/dbraw/zinc/67/51/98/1132675198.db2.gz LRGVYNBEHZAKQF-BJWYYQGGSA-N 1 3 337.305 3.896 20 0 EHADHO CCN(Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147772 1132676950 /nfs/dbraw/zinc/67/69/50/1132676950.db2.gz WQEFKIHWWILLOV-FVQHAEBGSA-N 1 3 337.305 3.896 20 0 EHADHO CCN(Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147772 1132676953 /nfs/dbraw/zinc/67/69/53/1132676953.db2.gz WQEFKIHWWILLOV-FVQHAEBGSA-N 1 3 337.305 3.896 20 0 EHADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001177093847 1133031451 /nfs/dbraw/zinc/03/14/51/1133031451.db2.gz UUALEMMVFWGUAG-UHFFFAOYSA-N 1 3 335.492 3.711 20 0 EHADHO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001177267687 1133050848 /nfs/dbraw/zinc/05/08/48/1133050848.db2.gz LISGNCZJQBAMMI-UGKGYDQZSA-N 1 3 343.559 3.883 20 0 EHADHO CCc1oc2ccccc2c1CNC1CC[NH+](CCOC(C)C)CC1 ZINC001177972504 1133125115 /nfs/dbraw/zinc/12/51/15/1133125115.db2.gz NMZMSJHUXJXMEH-UHFFFAOYSA-N 1 3 344.499 3.974 20 0 EHADHO C[C@H]1C[N@H+](CCCNCc2ccc(C3CCCC3)cc2)CCCO1 ZINC001178472372 1133172459 /nfs/dbraw/zinc/17/24/59/1133172459.db2.gz CLHMNSYBZWRCJG-SFHVURJKSA-N 1 3 330.516 3.935 20 0 EHADHO C[C@H]1C[N@@H+](CCCNCc2ccc(C3CCCC3)cc2)CCCO1 ZINC001178472372 1133172462 /nfs/dbraw/zinc/17/24/62/1133172462.db2.gz CLHMNSYBZWRCJG-SFHVURJKSA-N 1 3 330.516 3.935 20 0 EHADHO CC1([NH+]2CCC2)CCC(NCc2ccccc2Br)CC1 ZINC001179717668 1133275770 /nfs/dbraw/zinc/27/57/70/1133275770.db2.gz WSDIWDRKCHZQPP-UHFFFAOYSA-N 1 3 337.305 3.946 20 0 EHADHO CC[N@H+](CCC1CCN(C[C@H](O)c2cccc(F)c2)CC1)CC1CC1 ZINC000771476207 1133559718 /nfs/dbraw/zinc/55/97/18/1133559718.db2.gz SFVVDAXLZHPBGF-NRFANRHFSA-N 1 3 348.506 3.693 20 0 EHADHO CC[N@@H+](CCC1CCN(C[C@H](O)c2cccc(F)c2)CC1)CC1CC1 ZINC000771476207 1133559721 /nfs/dbraw/zinc/55/97/21/1133559721.db2.gz SFVVDAXLZHPBGF-NRFANRHFSA-N 1 3 348.506 3.693 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC[C@H](C)OC)cc1CN1CCCCC1 ZINC000775381856 1134690511 /nfs/dbraw/zinc/69/05/11/1134690511.db2.gz RSXOBRPDUYKCAV-IRXDYDNUSA-N 1 3 334.504 3.757 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)cc1CN1CCCCC1 ZINC000775383116 1134694521 /nfs/dbraw/zinc/69/45/21/1134694521.db2.gz UZIRHUWELDKSEJ-FXAWDEMLSA-N 1 3 348.531 3.739 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)ccc1OC ZINC000775391192 1134705080 /nfs/dbraw/zinc/70/50/80/1134705080.db2.gz CDOLOJFCZLFLMB-BQFCYCMXSA-N 1 3 334.504 3.613 20 0 EHADHO CC[C@@H]1C[C@H](N2CCC([N@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224525 1134722800 /nfs/dbraw/zinc/72/28/00/1134722800.db2.gz UJLODCGVAHIPAQ-NHCUHLMSSA-N 1 3 330.516 3.931 20 0 EHADHO CC[C@@H]1C[C@H](N2CCC([N@@H+](CC)Cc3ccccc3)CC2)CCO1 ZINC001170224525 1134722805 /nfs/dbraw/zinc/72/28/05/1134722805.db2.gz UJLODCGVAHIPAQ-NHCUHLMSSA-N 1 3 330.516 3.931 20 0 EHADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170263164 1134726850 /nfs/dbraw/zinc/72/68/50/1134726850.db2.gz JBPBPHPAMSDOKG-KBAYOESNSA-N 1 3 336.907 3.504 20 0 EHADHO CC1CC[NH+](CC[C@H]2CCCN2CC[C@H](O)c2ccccc2)CC1 ZINC001196936138 1135631442 /nfs/dbraw/zinc/63/14/42/1135631442.db2.gz QDOSKBKAVHKERQ-RTWAWAEBSA-N 1 3 330.516 3.697 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766092 1135888463 /nfs/dbraw/zinc/88/84/63/1135888463.db2.gz URCWMHPUGJPNLJ-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766092 1135888464 /nfs/dbraw/zinc/88/84/64/1135888464.db2.gz URCWMHPUGJPNLJ-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO CN(C)c1cc[nH+]cc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201470883 1136031277 /nfs/dbraw/zinc/03/12/77/1136031277.db2.gz YCLUGDWZZCOPQT-MOPGFXCFSA-N 1 3 334.467 3.880 20 0 EHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202160143 1136103269 /nfs/dbraw/zinc/10/32/69/1136103269.db2.gz IDHQTJRARYFLLA-SFHVURJKSA-N 1 3 348.556 3.994 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccnc(Cl)c1 ZINC000850516345 1136275792 /nfs/dbraw/zinc/27/57/92/1136275792.db2.gz BOCJWIIKFSDQIN-OAHLLOKOSA-N 1 3 344.890 3.693 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000850516658 1136275918 /nfs/dbraw/zinc/27/59/18/1136275918.db2.gz ILPBALWMJNRULI-HNNXBMFYSA-N 1 3 344.890 3.693 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000815615347 1136618947 /nfs/dbraw/zinc/61/89/47/1136618947.db2.gz NYSXJRPDZOIURF-JXFKEZNVSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000815615347 1136618949 /nfs/dbraw/zinc/61/89/49/1136618949.db2.gz NYSXJRPDZOIURF-JXFKEZNVSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1c([C@@H](C)NCc2ccc(CC[NH3+])cc2)cnn1-c1ccccc1 ZINC000817949994 1136851242 /nfs/dbraw/zinc/85/12/42/1136851242.db2.gz VZBTUYQPVZROFE-MRXNPFEDSA-N 1 3 334.467 3.533 20 0 EHADHO CC(C)c1ccc(C2(O)CCC(N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817969307 1136853704 /nfs/dbraw/zinc/85/37/04/1136853704.db2.gz UMIRRZVGCZBLIM-FZQMEJGWSA-N 1 3 330.516 3.528 20 0 EHADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C[C@H]2C1 ZINC000818330141 1136870576 /nfs/dbraw/zinc/87/05/76/1136870576.db2.gz OBASGCNKZVTLHY-ASJGIDEQSA-N 1 3 334.548 3.824 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)c1c(F)cccc1F ZINC000818943390 1136893769 /nfs/dbraw/zinc/89/37/69/1136893769.db2.gz SERZZTDWLULOPF-IBGZPJMESA-N 1 3 348.437 3.630 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000818959356 1136895611 /nfs/dbraw/zinc/89/56/11/1136895611.db2.gz ILLRKCJUGBIZKB-XMSQKQJNSA-N 1 3 338.495 3.884 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000818959356 1136895614 /nfs/dbraw/zinc/89/56/14/1136895614.db2.gz ILLRKCJUGBIZKB-XMSQKQJNSA-N 1 3 338.495 3.884 20 0 EHADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101488 1136908857 /nfs/dbraw/zinc/90/88/57/1136908857.db2.gz VHNKOIKBONGGHF-LJHODMEESA-N 1 3 348.487 3.593 20 0 EHADHO C[N@H+]1CCC[C@H](CNC[C@H](O)c2ccccc2F)[C@H]1c1cccs1 ZINC000819101488 1136908860 /nfs/dbraw/zinc/90/88/60/1136908860.db2.gz VHNKOIKBONGGHF-LJHODMEESA-N 1 3 348.487 3.593 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000819078548 1136911083 /nfs/dbraw/zinc/91/10/83/1136911083.db2.gz JIQPICUSSUHCOI-IIBYNOLFSA-N 1 3 342.458 3.674 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858498 1136914483 /nfs/dbraw/zinc/91/44/83/1136914483.db2.gz NRONLRXBEVRMPT-KPFFTGBYSA-N 1 3 338.499 3.677 20 0 EHADHO C[C@@H]1C[C@H](CCN[C@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858498 1136914486 /nfs/dbraw/zinc/91/44/86/1136914486.db2.gz NRONLRXBEVRMPT-KPFFTGBYSA-N 1 3 338.499 3.677 20 0 EHADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857864984 1136915646 /nfs/dbraw/zinc/91/56/46/1136915646.db2.gz JDNQSSWCSLCTJZ-MOPGFXCFSA-N 1 3 338.499 3.677 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000858537024 1136977043 /nfs/dbraw/zinc/97/70/43/1136977043.db2.gz ARCVHAWTFDBALM-IKGGRYGDSA-N 1 3 333.426 3.999 20 0 EHADHO C[N@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000858537024 1136977045 /nfs/dbraw/zinc/97/70/45/1136977045.db2.gz ARCVHAWTFDBALM-IKGGRYGDSA-N 1 3 333.426 3.999 20 0 EHADHO Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4cnc[nH]4)CC3)C2)cc1 ZINC001136868335 1137136645 /nfs/dbraw/zinc/13/66/45/1137136645.db2.gz CEYCEKVRNQQASF-UHFFFAOYSA-N 1 3 338.499 3.596 20 0 EHADHO Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4cnc[nH]4)CC3)C2)cc1 ZINC001136868335 1137136646 /nfs/dbraw/zinc/13/66/46/1137136646.db2.gz CEYCEKVRNQQASF-UHFFFAOYSA-N 1 3 338.499 3.596 20 0 EHADHO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246347953 1137152552 /nfs/dbraw/zinc/15/25/52/1137152552.db2.gz KNHBZWIMDGJUSG-IUODEOHRSA-N 1 3 325.294 3.500 20 0 EHADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078293 1137170038 /nfs/dbraw/zinc/17/00/38/1137170038.db2.gz JARSTARBWMIVFX-IJEWVQPXSA-N 1 3 339.310 3.734 20 0 EHADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C[C@@H]2C1 ZINC001171078293 1137170040 /nfs/dbraw/zinc/17/00/40/1137170040.db2.gz JARSTARBWMIVFX-IJEWVQPXSA-N 1 3 339.310 3.734 20 0 EHADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cnccc3/C=C/N(C)C)c2c1 ZINC001171168502 1137278773 /nfs/dbraw/zinc/27/87/73/1137278773.db2.gz SSTGYSXXYQKYGZ-DZZUKKPASA-N 1 3 334.467 3.756 20 0 EHADHO CSc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000348133045 1137444683 /nfs/dbraw/zinc/44/46/83/1137444683.db2.gz JPITYLFRFJZLSD-LPHOPBHVSA-N 1 3 341.524 3.804 20 0 EHADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505293 1137494751 /nfs/dbraw/zinc/49/47/51/1137494751.db2.gz HVTBKFLLABXLTM-HIFRSBDPSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505293 1137494753 /nfs/dbraw/zinc/49/47/53/1137494753.db2.gz HVTBKFLLABXLTM-HIFRSBDPSA-N 1 3 340.433 3.815 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505293 1137494754 /nfs/dbraw/zinc/49/47/54/1137494754.db2.gz HVTBKFLLABXLTM-HIFRSBDPSA-N 1 3 340.433 3.815 20 0 EHADHO CC(=O)c1ccc2c(c1)C[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171641082 1137504809 /nfs/dbraw/zinc/50/48/09/1137504809.db2.gz BZMBTEIYZQPRCW-UHFFFAOYSA-N 1 3 328.500 3.899 20 0 EHADHO CC(=O)c1ccc2c(c1)C[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171641082 1137504811 /nfs/dbraw/zinc/50/48/11/1137504811.db2.gz BZMBTEIYZQPRCW-UHFFFAOYSA-N 1 3 328.500 3.899 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641279 1137504891 /nfs/dbraw/zinc/50/48/91/1137504891.db2.gz OBAMAHIYGUJEHJ-GOSISDBHSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641279 1137504892 /nfs/dbraw/zinc/50/48/92/1137504892.db2.gz OBAMAHIYGUJEHJ-GOSISDBHSA-N 1 3 331.504 3.576 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC[C@@H](Oc3ccncc3)C2)CC1(C)C ZINC001171641279 1137504893 /nfs/dbraw/zinc/50/48/93/1137504893.db2.gz OBAMAHIYGUJEHJ-GOSISDBHSA-N 1 3 331.504 3.576 20 0 EHADHO CCOC(=O)C1(C)CCC([NH2+]C2CCN(C(CC)CC)CC2)CC1 ZINC001171944539 1137521881 /nfs/dbraw/zinc/52/18/81/1137521881.db2.gz QUCMAUWLWVLKBQ-UHFFFAOYSA-N 1 3 338.536 3.741 20 0 EHADHO CC1(C)C[C@@H]([NH+]2CCC3(CCOC3)CC2)CCN1Cc1ccccc1 ZINC001171977776 1137525759 /nfs/dbraw/zinc/52/57/59/1137525759.db2.gz ULCVNQYDWUMGJM-FQEVSTJZSA-N 1 3 342.527 3.932 20 0 EHADHO CC1(C)C[C@H](N2CC[C@H]3CCCO[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979186 1137526099 /nfs/dbraw/zinc/52/60/99/1137526099.db2.gz CUEIBEKDYPUFGL-NJYVYQBISA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)C[C@H](N2CC[C@H]3CCCO[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979186 1137526101 /nfs/dbraw/zinc/52/61/01/1137526101.db2.gz CUEIBEKDYPUFGL-NJYVYQBISA-N 1 3 342.527 3.931 20 0 EHADHO CN(CCc1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980699 1137526854 /nfs/dbraw/zinc/52/68/54/1137526854.db2.gz GAMSWIOCTQTCGL-OAQYLSRUSA-N 1 3 337.511 3.999 20 0 EHADHO CN(CCc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980699 1137526856 /nfs/dbraw/zinc/52/68/56/1137526856.db2.gz GAMSWIOCTQTCGL-OAQYLSRUSA-N 1 3 337.511 3.999 20 0 EHADHO CCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984580 1137527197 /nfs/dbraw/zinc/52/71/97/1137527197.db2.gz NMILHXBNFBSMOY-NRFANRHFSA-N 1 3 343.559 3.847 20 0 EHADHO CCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984580 1137527199 /nfs/dbraw/zinc/52/71/99/1137527199.db2.gz NMILHXBNFBSMOY-NRFANRHFSA-N 1 3 343.559 3.847 20 0 EHADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172066568 1137533801 /nfs/dbraw/zinc/53/38/01/1137533801.db2.gz ZUCVNYGFIIINJE-YSFYHYPLSA-N 1 3 341.543 3.644 20 0 EHADHO C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Br)cn1 ZINC001172112413 1137537665 /nfs/dbraw/zinc/53/76/65/1137537665.db2.gz VXFOAHWGMXYUES-REBRKWNGSA-N 1 3 338.293 3.510 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172113808 1137537717 /nfs/dbraw/zinc/53/77/17/1137537717.db2.gz MODLEHXTNQPETP-MIUGBVLSSA-N 1 3 341.543 3.502 20 0 EHADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031559 1137566278 /nfs/dbraw/zinc/56/62/78/1137566278.db2.gz KLCFQORGFKTVMK-NHCUHLMSSA-N 1 3 342.527 3.632 20 0 EHADHO [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC000872148961 1137574035 /nfs/dbraw/zinc/57/40/35/1137574035.db2.gz JMSSSRDYFGCGLO-DZUCGIPZSA-N 1 3 326.406 3.639 20 0 EHADHO c1cnc2cccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c2c1 ZINC000873136350 1137590987 /nfs/dbraw/zinc/59/09/87/1137590987.db2.gz ZKACTAJHJSRHGY-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000873223420 1137594341 /nfs/dbraw/zinc/59/43/41/1137594341.db2.gz MQULJTUQYXRJEA-NRFANRHFSA-N 1 3 338.499 3.528 20 0 EHADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000873291509 1137596573 /nfs/dbraw/zinc/59/65/73/1137596573.db2.gz WPGGKFRTYLXZMA-OLZOCXBDSA-N 1 3 343.298 3.803 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877085353 1137669800 /nfs/dbraw/zinc/66/98/00/1137669800.db2.gz UJTUMFZPSZVAJS-NYHFZMIOSA-N 1 3 330.453 3.706 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000877115306 1137670349 /nfs/dbraw/zinc/67/03/49/1137670349.db2.gz LZPYSAHUPLWKAA-JKSBSHDWSA-N 1 3 332.469 3.667 20 0 EHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc2c(c1)OCCCO2 ZINC000348255082 1137883627 /nfs/dbraw/zinc/88/36/27/1137883627.db2.gz PWJZVWGKJSAWFD-INIZCTEOSA-N 1 3 332.488 3.621 20 0 EHADHO CN(Cc1ccc2c[nH]nc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119312118 1137940394 /nfs/dbraw/zinc/94/03/94/1137940394.db2.gz BDCPRLXVRKKKJU-UHFFFAOYSA-N 1 3 334.467 3.659 20 0 EHADHO C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886536347 1138092635 /nfs/dbraw/zinc/09/26/35/1138092635.db2.gz GFUDMACNZDSLAV-MNAPGUCWSA-N 1 3 335.495 3.655 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2ccn(C3CCCC3)n2)CC1 ZINC000886553323 1138095148 /nfs/dbraw/zinc/09/51/48/1138095148.db2.gz KBJWFSACLDCUPT-UHFFFAOYSA-N 1 3 330.520 3.885 20 0 EHADHO CO[C@@](C)([C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886625085 1138103125 /nfs/dbraw/zinc/10/31/25/1138103125.db2.gz IHEYBFGYUWEUSY-UYIOJHFGSA-N 1 3 342.527 3.833 20 0 EHADHO CO[C@@](C)([C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886625087 1138103317 /nfs/dbraw/zinc/10/33/17/1138103317.db2.gz IHEYBFGYUWEUSY-ZGFYZEPBSA-N 1 3 342.527 3.833 20 0 EHADHO COC1([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886626462 1138103663 /nfs/dbraw/zinc/10/36/63/1138103663.db2.gz BXJSILMZDGPPQO-FFGOWVMKSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@@H](O)[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1F ZINC000886631952 1138103928 /nfs/dbraw/zinc/10/39/28/1138103928.db2.gz ZSIHMXRRGXYORF-HSHZPNLASA-N 1 3 334.479 3.634 20 0 EHADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886631761 1138103972 /nfs/dbraw/zinc/10/39/72/1138103972.db2.gz WERIUCVNLDKDHD-ALGQRKQJSA-N 1 3 328.500 3.587 20 0 EHADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886631762 1138104164 /nfs/dbraw/zinc/10/41/64/1138104164.db2.gz WERIUCVNLDKDHD-QGLKVJOYSA-N 1 3 328.500 3.587 20 0 EHADHO Cc1nc(C2CC[NH+](CC(=O)N[C@@H](C)CCCC(C)C)CC2)[nH]c1C ZINC000886671961 1138112264 /nfs/dbraw/zinc/11/22/64/1138112264.db2.gz HABODJJCDVZKOT-HNNXBMFYSA-N 1 3 348.535 3.537 20 0 EHADHO CCOc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524038 1138211142 /nfs/dbraw/zinc/21/11/42/1138211142.db2.gz FWWDVOHJDICCOT-HBGVWJBISA-N 1 3 346.515 3.504 20 0 EHADHO CN(c1ccccc1CNCc1cccs1)C1CC[NH+](C)CC1 ZINC000123032221 1138265473 /nfs/dbraw/zinc/26/54/73/1138265473.db2.gz ABDXBVDTBMQJOD-UHFFFAOYSA-N 1 3 329.513 3.568 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000348441175 1138463460 /nfs/dbraw/zinc/46/34/60/1138463460.db2.gz UBQHECSDJQQSOQ-QGZVFWFLSA-N 1 3 340.515 3.953 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337486280 1138583501 /nfs/dbraw/zinc/58/35/01/1138583501.db2.gz SRHUMYIPEWBRPK-KZNAEPCWSA-N 1 3 348.535 3.538 20 0 EHADHO COCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000177970786 1139659191 /nfs/dbraw/zinc/65/91/91/1139659191.db2.gz AIELSCKFOMHZBJ-MRXNPFEDSA-N 1 3 338.923 3.957 20 0 EHADHO COc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000178529569 1139701964 /nfs/dbraw/zinc/70/19/64/1139701964.db2.gz PNCSSERPNJYYBO-HNNXBMFYSA-N 1 3 346.446 3.626 20 0 EHADHO CC(=O)Nc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000181929944 1139940188 /nfs/dbraw/zinc/94/01/88/1139940188.db2.gz LPQNHUVUXBAGPW-OAHLLOKOSA-N 1 3 325.456 3.557 20 0 EHADHO CCSc1cccc(CNC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000185564356 1140156124 /nfs/dbraw/zinc/15/61/24/1140156124.db2.gz FBXRDGFGUAVTNE-UHFFFAOYSA-N 1 3 336.545 3.778 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715696 1140165853 /nfs/dbraw/zinc/16/58/53/1140165853.db2.gz QEGMBZVHYNFPFI-MSOLQXFVSA-N 1 3 343.515 3.566 20 0 EHADHO Cc1ccccc1NC(=O)CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715696 1140165856 /nfs/dbraw/zinc/16/58/56/1140165856.db2.gz QEGMBZVHYNFPFI-MSOLQXFVSA-N 1 3 343.515 3.566 20 0 EHADHO CC[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1 ZINC000188243828 1140288218 /nfs/dbraw/zinc/28/82/18/1140288218.db2.gz LRNXCGKORAEHJJ-AQNXPRMDSA-N 1 3 334.479 3.634 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923244 1141025676 /nfs/dbraw/zinc/02/56/76/1141025676.db2.gz PHOFZEFKFGXOOA-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923244 1141025684 /nfs/dbraw/zinc/02/56/84/1141025684.db2.gz PHOFZEFKFGXOOA-VLCRHTCISA-N 1 3 338.495 3.529 20 0 EHADHO CCc1noc(CC)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000269125662 1141069633 /nfs/dbraw/zinc/06/96/33/1141069633.db2.gz YMIAPFPJDBVHAR-SJLPKXTDSA-N 1 3 341.499 3.942 20 0 EHADHO Cc1cccc([C@H](C)[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000270859426 1141277773 /nfs/dbraw/zinc/27/77/73/1141277773.db2.gz HZEFWSOVGRPWKD-IBGZPJMESA-N 1 3 329.532 3.546 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2c1CCC2 ZINC000904472597 1032071910 /nfs/dbraw/zinc/07/19/10/1032071910.db2.gz MWWMOBUJOWZEKG-IRLDBZIGSA-N 1 3 334.463 3.521 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424170 1014394369 /nfs/dbraw/zinc/39/43/69/1014394369.db2.gz YPQMQEFAGRXTTI-NVXWUHKLSA-N 1 3 330.451 3.536 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547581 1014512578 /nfs/dbraw/zinc/51/25/78/1014512578.db2.gz HILWXWRFZHDXFE-HIFRSBDPSA-N 1 3 326.406 3.901 20 0 EHADHO CCOC(C)(C)C[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001209074550 1015781823 /nfs/dbraw/zinc/78/18/23/1015781823.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 1 3 330.516 3.912 20 0 EHADHO CCOC(C)(C)C[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001209074550 1015781829 /nfs/dbraw/zinc/78/18/29/1015781829.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 1 3 330.516 3.912 20 0 EHADHO CCOC(C)(C)CN1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001209074550 1015781836 /nfs/dbraw/zinc/78/18/36/1015781836.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 1 3 330.516 3.912 20 0 EHADHO CCOC(C)(C)CN1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209074550 1015781847 /nfs/dbraw/zinc/78/18/47/1015781847.db2.gz HJOJZBBZKSZART-UFYCRDLUSA-N 1 3 330.516 3.912 20 0 EHADHO COc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000339867389 1015795705 /nfs/dbraw/zinc/79/57/05/1015795705.db2.gz QHCVKIOQHSSWJA-FXAWDEMLSA-N 1 3 339.483 3.575 20 0 EHADHO COc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000339867389 1015795708 /nfs/dbraw/zinc/79/57/08/1015795708.db2.gz QHCVKIOQHSSWJA-FXAWDEMLSA-N 1 3 339.483 3.575 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1nccn1C ZINC000182884918 1032147387 /nfs/dbraw/zinc/14/73/87/1032147387.db2.gz VYBDDMDMHYKKQI-HNNXBMFYSA-N 1 3 346.906 3.636 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCCC2)sc1Br ZINC000510254151 1016776017 /nfs/dbraw/zinc/77/60/17/1016776017.db2.gz JNUIBTKAMDPCNX-GFCCVEGCSA-N 1 3 331.323 3.956 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000536844145 1032338382 /nfs/dbraw/zinc/33/83/82/1032338382.db2.gz HFQPRUPGSRBDBH-VAMGGRTRSA-N 1 3 348.918 3.685 20 0 EHADHO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccs1 ZINC000536846405 1032340323 /nfs/dbraw/zinc/34/03/23/1032340323.db2.gz PGPLKWNHOIWSON-KSZLIROESA-N 1 3 336.545 3.803 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2c(s1)CCCC2 ZINC000536844844 1032340526 /nfs/dbraw/zinc/34/05/26/1032340526.db2.gz JOSPFBZUMWESRC-JCGIZDLHSA-N 1 3 348.556 3.655 20 0 EHADHO COc1ccc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000537016735 1032472563 /nfs/dbraw/zinc/47/25/63/1032472563.db2.gz UIZGDKWJDYHRGS-LVCYWYKZSA-N 1 3 348.531 3.871 20 0 EHADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000449396681 1032502620 /nfs/dbraw/zinc/50/26/20/1032502620.db2.gz MDJVXDVPDNAOSG-PCCBWWKXSA-N 1 3 349.522 3.859 20 0 EHADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000317231809 1017405169 /nfs/dbraw/zinc/40/51/69/1017405169.db2.gz LHKZDOMQAWAUTN-CQSZACIVSA-N 1 3 346.302 3.627 20 0 EHADHO [NH3+]CCC[C@H](NCc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000415044095 1017452891 /nfs/dbraw/zinc/45/28/91/1017452891.db2.gz AFPCCEFREVSANY-SFHVURJKSA-N 1 3 338.480 3.775 20 0 EHADHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415080446 1017518851 /nfs/dbraw/zinc/51/88/51/1017518851.db2.gz JJNBEAWBVWSWOU-DYEKYZERSA-N 1 3 343.284 3.639 20 0 EHADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415110017 1017557627 /nfs/dbraw/zinc/55/76/27/1017557627.db2.gz PUKWKFYPXMCVLG-BBRMVZONSA-N 1 3 326.406 3.857 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470276 1017967348 /nfs/dbraw/zinc/96/73/48/1017967348.db2.gz NKKZNZBDSYLNFK-ICSRJNTNSA-N 1 3 342.527 3.693 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1(C)CC1 ZINC000340470275 1017967452 /nfs/dbraw/zinc/96/74/52/1017967452.db2.gz NKKZNZBDSYLNFK-AZUAARDMSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000564823171 1019222798 /nfs/dbraw/zinc/22/27/98/1019222798.db2.gz VZXPZRQTKBJPIN-CWTRNNRKSA-N 1 3 331.410 3.855 20 0 EHADHO C[C@H](COCc1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001167442283 1020351860 /nfs/dbraw/zinc/35/18/60/1020351860.db2.gz CCGJQACBBKLPQG-PZJWPPBQSA-N 1 3 330.516 3.790 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345715218 1020468912 /nfs/dbraw/zinc/46/89/12/1020468912.db2.gz HVHUVBFFRAKGOB-FQEVSTJZSA-N 1 3 349.950 3.798 20 0 EHADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501056744 1020676446 /nfs/dbraw/zinc/67/64/46/1020676446.db2.gz BAXFALAXJXBVDM-SFHVURJKSA-N 1 3 343.515 3.808 20 0 EHADHO Fc1cccc2c1CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682881 1021161709 /nfs/dbraw/zinc/16/17/09/1021161709.db2.gz HMZYNFUXFCAKHE-NRFANRHFSA-N 1 3 339.458 3.710 20 0 EHADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000656684600 1021162412 /nfs/dbraw/zinc/16/24/12/1021162412.db2.gz VWVPHHVYEPHNNH-INIZCTEOSA-N 1 3 327.447 3.784 20 0 EHADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c(Br)cccc32)CC[N@@H+]1C ZINC000341246586 1021179263 /nfs/dbraw/zinc/17/92/63/1021179263.db2.gz KNDIMZLFYUCYPY-XNJGSVPQSA-N 1 3 337.305 3.899 20 0 EHADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c(Br)cccc32)CC[N@H+]1C ZINC000341246586 1021179272 /nfs/dbraw/zinc/17/92/72/1021179272.db2.gz KNDIMZLFYUCYPY-XNJGSVPQSA-N 1 3 337.305 3.899 20 0 EHADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000427540686 1021454722 /nfs/dbraw/zinc/45/47/22/1021454722.db2.gz NNRBZSWECJTCQW-SBHAEUEKSA-N 1 3 332.532 3.733 20 0 EHADHO C[NH2+]C[C@@H]1CCCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430648880 1021613713 /nfs/dbraw/zinc/61/37/13/1021613713.db2.gz RITIPSSOPYDKGU-HNNXBMFYSA-N 1 3 344.421 3.796 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1COC(C)C ZINC000519699097 1021615791 /nfs/dbraw/zinc/61/57/91/1021615791.db2.gz YCRYZTGHFNPPNV-HNNXBMFYSA-N 1 3 327.472 3.625 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000519104078 1021861391 /nfs/dbraw/zinc/86/13/91/1021861391.db2.gz WDUMZLDBMCRBMP-FQEVSTJZSA-N 1 3 345.531 3.977 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCSC4)[C@@H]3C2)cc1 ZINC000425922332 1022209460 /nfs/dbraw/zinc/20/94/60/1022209460.db2.gz JYAWQOGCMLLLEZ-HAGHYFMRSA-N 1 3 330.541 3.772 20 0 EHADHO c1ccc(OCCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438119184 1022384427 /nfs/dbraw/zinc/38/44/27/1022384427.db2.gz JKNPOXOYGFOOOW-WIYYLYMNSA-N 1 3 328.500 3.794 20 0 EHADHO c1ccc(OCCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438119184 1022384442 /nfs/dbraw/zinc/38/44/42/1022384442.db2.gz JKNPOXOYGFOOOW-WIYYLYMNSA-N 1 3 328.500 3.794 20 0 EHADHO Cc1ccsc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124687057 1022525868 /nfs/dbraw/zinc/52/58/68/1022525868.db2.gz ADODIUBQLBRIDG-QGZVFWFLSA-N 1 3 335.561 3.657 20 0 EHADHO Cc1ncsc1CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471871711 1022777765 /nfs/dbraw/zinc/77/77/65/1022777765.db2.gz MPFBPCNLVPBUEC-RTBURBONSA-N 1 3 343.540 3.666 20 0 EHADHO Cc1ncsc1CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471871711 1022777782 /nfs/dbraw/zinc/77/77/82/1022777782.db2.gz MPFBPCNLVPBUEC-RTBURBONSA-N 1 3 343.540 3.666 20 0 EHADHO Fc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)c1F ZINC000426059692 1022787596 /nfs/dbraw/zinc/78/75/96/1022787596.db2.gz FMJASBNQPOJEST-JKSUJKDBSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)c1F ZINC000426059692 1022787609 /nfs/dbraw/zinc/78/76/09/1022787609.db2.gz FMJASBNQPOJEST-JKSUJKDBSA-N 1 3 334.454 3.993 20 0 EHADHO C[C@H](CN1CCC(C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000506863600 1022965954 /nfs/dbraw/zinc/96/59/54/1022965954.db2.gz FMCCMRHHIUFRJY-CQSZACIVSA-N 1 3 339.321 3.826 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3NCCc4ccccc43)CC2)C1 ZINC000414954344 1023009658 /nfs/dbraw/zinc/00/96/58/1023009658.db2.gz LFBIKDDDZMOUOI-NQSCKRDGSA-N 1 3 341.543 3.506 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3NCCc4ccccc43)CC2)C1 ZINC000414954342 1023010393 /nfs/dbraw/zinc/01/03/93/1023010393.db2.gz LFBIKDDDZMOUOI-AGHHOFFYSA-N 1 3 341.543 3.506 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCS[C@H](C)CC2)CC1 ZINC000426386744 1023257322 /nfs/dbraw/zinc/25/73/22/1023257322.db2.gz ZKMSNPITONDAAZ-GOSISDBHSA-N 1 3 347.572 3.546 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCS[C@H](C)CC2)CC1 ZINC000426386744 1023257328 /nfs/dbraw/zinc/25/73/28/1023257328.db2.gz ZKMSNPITONDAAZ-GOSISDBHSA-N 1 3 347.572 3.546 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)N1CCCCCC1 ZINC000342110459 1024060114 /nfs/dbraw/zinc/06/01/14/1024060114.db2.gz XDPLPLHNRQSFSE-KRWDZBQOSA-N 1 3 343.515 3.526 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)N1CCCCCC1 ZINC000342110459 1024060131 /nfs/dbraw/zinc/06/01/31/1024060131.db2.gz XDPLPLHNRQSFSE-KRWDZBQOSA-N 1 3 343.515 3.526 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105527 1024137417 /nfs/dbraw/zinc/13/74/17/1024137417.db2.gz RPRHAYBBAOFUNH-CZUORRHYSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105527 1024137422 /nfs/dbraw/zinc/13/74/22/1024137422.db2.gz RPRHAYBBAOFUNH-CZUORRHYSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000514105527 1024137424 /nfs/dbraw/zinc/13/74/24/1024137424.db2.gz RPRHAYBBAOFUNH-CZUORRHYSA-N 1 3 330.394 3.968 20 0 EHADHO CC(C)C[C@H](CN1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000474105955 1024223843 /nfs/dbraw/zinc/22/38/43/1024223843.db2.gz LVYJFCQVSZHMKZ-JOCHJYFZSA-N 1 3 343.559 3.530 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414849671 1024264058 /nfs/dbraw/zinc/26/40/58/1024264058.db2.gz HNXUTWJPLYAYGM-NUJGCVRESA-N 1 3 331.504 3.505 20 0 EHADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430113826 1024384008 /nfs/dbraw/zinc/38/40/08/1024384008.db2.gz OEHBNPBCFAKFAW-JOCHJYFZSA-N 1 3 336.479 3.890 20 0 EHADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430113826 1024384025 /nfs/dbraw/zinc/38/40/25/1024384025.db2.gz OEHBNPBCFAKFAW-JOCHJYFZSA-N 1 3 336.479 3.890 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000472035868 1024424724 /nfs/dbraw/zinc/42/47/24/1024424724.db2.gz BCLXOXVCDAUFGI-AEFFLSMTSA-N 1 3 342.458 3.922 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472035868 1024424731 /nfs/dbraw/zinc/42/47/31/1024424731.db2.gz BCLXOXVCDAUFGI-AEFFLSMTSA-N 1 3 342.458 3.922 20 0 EHADHO C[C@H](NCc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414857886 1024498664 /nfs/dbraw/zinc/49/86/64/1024498664.db2.gz QKSQNBYWDPZSLN-FUHWJXTLSA-N 1 3 334.467 3.503 20 0 EHADHO Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c2ccccc2[nH+]1 ZINC000425240781 1024507932 /nfs/dbraw/zinc/50/79/32/1024507932.db2.gz PICKZJAUAJRBMU-KRWDZBQOSA-N 1 3 346.478 3.998 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000067452998 1024580189 /nfs/dbraw/zinc/58/01/89/1024580189.db2.gz BXRVXKOCCNGUTP-HUUCEWRRSA-N 1 3 344.421 3.684 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000665232001 1024687272 /nfs/dbraw/zinc/68/72/72/1024687272.db2.gz CVLVFDZZZXGABS-YPAWHYETSA-N 1 3 335.495 3.802 20 0 EHADHO Nc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000665232001 1024687278 /nfs/dbraw/zinc/68/72/78/1024687278.db2.gz CVLVFDZZZXGABS-YPAWHYETSA-N 1 3 335.495 3.802 20 0 EHADHO COC1CCC(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000895694461 1024728887 /nfs/dbraw/zinc/72/88/87/1024728887.db2.gz UXSUEQNAKVKRNV-YLJXDBKYSA-N 1 3 330.516 3.549 20 0 EHADHO C[NH2+]CCC1CCN(Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000346651940 1024963120 /nfs/dbraw/zinc/96/31/20/1024963120.db2.gz DESAAMXGDNRKHD-UHFFFAOYSA-N 1 3 346.906 3.562 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000428227637 1025048493 /nfs/dbraw/zinc/04/84/93/1025048493.db2.gz SOFGSVYFPBDTMQ-ZRBLBEILSA-N 1 3 349.522 3.905 20 0 EHADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347012376 1025409155 /nfs/dbraw/zinc/40/91/55/1025409155.db2.gz HLYVQWOKBAQXDE-WMZOPIPTSA-N 1 3 334.467 3.585 20 0 EHADHO CC[NH2+]CC1CCN(Cc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC000347014909 1025412484 /nfs/dbraw/zinc/41/24/84/1025412484.db2.gz APGCEBLXPMPCKZ-UHFFFAOYSA-N 1 3 334.504 3.552 20 0 EHADHO c1cc(-c2ncc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)s2)cs1 ZINC000347063207 1025476736 /nfs/dbraw/zinc/47/67/36/1025476736.db2.gz IYEQUJPRVJNQJB-INIZCTEOSA-N 1 3 333.526 3.836 20 0 EHADHO CCCN(Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000347113901 1025521627 /nfs/dbraw/zinc/52/16/27/1025521627.db2.gz SKCONYMFOFFGDD-UHFFFAOYSA-N 1 3 330.394 3.592 20 0 EHADHO CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CCNCC1 ZINC000347113901 1025521640 /nfs/dbraw/zinc/52/16/40/1025521640.db2.gz SKCONYMFOFFGDD-UHFFFAOYSA-N 1 3 330.394 3.592 20 0 EHADHO CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CCNCC1 ZINC000347113901 1025521652 /nfs/dbraw/zinc/52/16/52/1025521652.db2.gz SKCONYMFOFFGDD-UHFFFAOYSA-N 1 3 330.394 3.592 20 0 EHADHO CCc1ccc([C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C(C)C)cc1 ZINC000442870658 1025542835 /nfs/dbraw/zinc/54/28/35/1025542835.db2.gz GQZAMTDSVOVLHJ-HXUWFJFHSA-N 1 3 331.548 3.562 20 0 EHADHO CCC1(C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)COC1 ZINC000639251319 1025695743 /nfs/dbraw/zinc/69/57/43/1025695743.db2.gz JIBQTWHXMIAIOY-QFIPXVFZSA-N 1 3 344.543 3.941 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040111 1025907297 /nfs/dbraw/zinc/90/72/97/1025907297.db2.gz ZEKHWYYODXNVRU-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040111 1025907310 /nfs/dbraw/zinc/90/73/10/1025907310.db2.gz ZEKHWYYODXNVRU-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040111 1025907328 /nfs/dbraw/zinc/90/73/28/1025907328.db2.gz ZEKHWYYODXNVRU-DENIHFKCSA-N 1 3 338.495 3.910 20 0 EHADHO C[C@@H](CC[NH3+])NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414888927 1026015046 /nfs/dbraw/zinc/01/50/46/1026015046.db2.gz FTQCCGNTGRRKKL-ZDUSSCGKSA-N 1 3 334.895 3.785 20 0 EHADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000349718021 1026153223 /nfs/dbraw/zinc/15/32/23/1026153223.db2.gz FASLRRPENKHQQS-QGZVFWFLSA-N 1 3 340.895 3.502 20 0 EHADHO C[C@H]1CC(N(C)CCc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058087 1026318287 /nfs/dbraw/zinc/31/82/87/1026318287.db2.gz AVMPKTMNMCOAFL-OALUTQOASA-N 1 3 337.511 3.998 20 0 EHADHO c1c2ccncc2sc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452257 1026513474 /nfs/dbraw/zinc/51/34/74/1026513474.db2.gz CTMUEEPGNTYMBO-QGZVFWFLSA-N 1 3 337.492 3.908 20 0 EHADHO c1c2ccncc2sc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452257 1026513482 /nfs/dbraw/zinc/51/34/82/1026513482.db2.gz CTMUEEPGNTYMBO-QGZVFWFLSA-N 1 3 337.492 3.908 20 0 EHADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000563425609 1026870202 /nfs/dbraw/zinc/87/02/02/1026870202.db2.gz OVPLOZXAGWQHMK-XBFCOCLRSA-N 1 3 343.334 3.789 20 0 EHADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000563425607 1026870264 /nfs/dbraw/zinc/87/02/64/1026870264.db2.gz OVPLOZXAGWQHMK-KWCYVHTRSA-N 1 3 343.334 3.789 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000582725531 1027072726 /nfs/dbraw/zinc/07/27/26/1027072726.db2.gz OMGUBGMPDXJKCH-GJZGRUSLSA-N 1 3 340.496 3.816 20 0 EHADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632261 1027100907 /nfs/dbraw/zinc/10/09/07/1027100907.db2.gz VRTFRJTXIUVSCG-JKSUJKDBSA-N 1 3 333.545 3.686 20 0 EHADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632261 1027100909 /nfs/dbraw/zinc/10/09/09/1027100909.db2.gz VRTFRJTXIUVSCG-JKSUJKDBSA-N 1 3 333.545 3.686 20 0 EHADHO CCc1cc(OC)ccc1CNCc1cccc(C[N@@H+](C)CC)c1 ZINC000501480478 1027311353 /nfs/dbraw/zinc/31/13/53/1027311353.db2.gz OPNNOMPRMPIXKC-UHFFFAOYSA-N 1 3 326.484 3.999 20 0 EHADHO CCc1cc(OC)ccc1CNCc1cccc(C[N@H+](C)CC)c1 ZINC000501480478 1027311375 /nfs/dbraw/zinc/31/13/75/1027311375.db2.gz OPNNOMPRMPIXKC-UHFFFAOYSA-N 1 3 326.484 3.999 20 0 EHADHO Cc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000453096822 1027361876 /nfs/dbraw/zinc/36/18/76/1027361876.db2.gz ILBQNNRTSSTSCF-INIZCTEOSA-N 1 3 344.524 3.864 20 0 EHADHO c1ccc2c(c1)ccnc2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612232 1027627278 /nfs/dbraw/zinc/62/72/78/1027627278.db2.gz JGCRPCAXAIAXFF-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO Clc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613040 1027632555 /nfs/dbraw/zinc/63/25/55/1027632555.db2.gz VBPLLAHFJXBKDU-UHFFFAOYSA-N 1 3 329.875 3.737 20 0 EHADHO C[C@H]1CN(CC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000459329963 1027644044 /nfs/dbraw/zinc/64/40/44/1027644044.db2.gz RZNTZIZXCHVOEQ-GPHNJDIKSA-N 1 3 342.527 3.611 20 0 EHADHO COCC[N@H+](C)CCCNCc1cccc(-c2ccccc2C)c1 ZINC000523106700 1027729503 /nfs/dbraw/zinc/72/95/03/1027729503.db2.gz GDJHLSJORIWOAL-UHFFFAOYSA-N 1 3 326.484 3.720 20 0 EHADHO COCC[N@@H+](C)CCCNCc1cccc(-c2ccccc2C)c1 ZINC000523106700 1027729524 /nfs/dbraw/zinc/72/95/24/1027729524.db2.gz GDJHLSJORIWOAL-UHFFFAOYSA-N 1 3 326.484 3.720 20 0 EHADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2ccccc2n1C ZINC000246150005 1027823902 /nfs/dbraw/zinc/82/39/02/1027823902.db2.gz SVTSTCZOIRSWSE-IAGOWNOFSA-N 1 3 328.504 3.736 20 0 EHADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccccc2n1C ZINC000246150005 1027823923 /nfs/dbraw/zinc/82/39/23/1027823923.db2.gz SVTSTCZOIRSWSE-IAGOWNOFSA-N 1 3 328.504 3.736 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)c1ccccc1 ZINC000422731339 1027878472 /nfs/dbraw/zinc/87/84/72/1027878472.db2.gz LIBCGQPJHSWPCM-YUXAGFNASA-N 1 3 339.527 3.618 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422717943 1027886915 /nfs/dbraw/zinc/88/69/15/1027886915.db2.gz KXBWLOXXOMIXRM-YESZJQIVSA-N 1 3 343.437 3.558 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422722219 1027889511 /nfs/dbraw/zinc/88/95/11/1027889511.db2.gz XFISZTHTNZNKQU-AZUAARDMSA-N 1 3 343.515 3.813 20 0 EHADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422768463 1027926694 /nfs/dbraw/zinc/92/66/94/1027926694.db2.gz UPRDRMGRUNGULK-XJKSGUPXSA-N 1 3 343.284 3.628 20 0 EHADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422777240 1027932787 /nfs/dbraw/zinc/93/27/87/1027932787.db2.gz BTXSTJPMYWUWJE-OTWHNJEPSA-N 1 3 341.524 3.863 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000422807903 1027957545 /nfs/dbraw/zinc/95/75/45/1027957545.db2.gz KFXRMCHZXHGIRC-OAHLLOKOSA-N 1 3 335.451 3.732 20 0 EHADHO CC[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422813942 1027962670 /nfs/dbraw/zinc/96/26/70/1027962670.db2.gz ZGKLKOFVHCOGNL-COPCDDAFSA-N 1 3 335.495 3.558 20 0 EHADHO CCc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422853150 1027989459 /nfs/dbraw/zinc/98/94/59/1027989459.db2.gz BNZQEJULMVWIJF-HKUYNNGSSA-N 1 3 328.481 3.656 20 0 EHADHO CCOc1cc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)ccc1OC(F)F ZINC000246208887 1027998665 /nfs/dbraw/zinc/99/86/65/1027998665.db2.gz PCZRXNUUQCXVQT-ZFWWWQNUSA-N 1 3 342.430 3.507 20 0 EHADHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)o1 ZINC000422883948 1028016015 /nfs/dbraw/zinc/01/60/15/1028016015.db2.gz VZAKANHQFJPTCP-WCIQWLHISA-N 1 3 345.531 3.625 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnccc1N ZINC000422883545 1028020259 /nfs/dbraw/zinc/02/02/59/1028020259.db2.gz QSAOQVPSSFRYKQ-IRXDYDNUSA-N 1 3 338.499 3.719 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnccc1N ZINC000422883545 1028020275 /nfs/dbraw/zinc/02/02/75/1028020275.db2.gz QSAOQVPSSFRYKQ-IRXDYDNUSA-N 1 3 338.499 3.719 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000422873019 1028031322 /nfs/dbraw/zinc/03/13/22/1028031322.db2.gz JMAOIHFALULKQU-JKSUJKDBSA-N 1 3 338.499 3.861 20 0 EHADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422908685 1028043416 /nfs/dbraw/zinc/04/34/16/1028043416.db2.gz YZKGNHICXRLBHE-JKSUJKDBSA-N 1 3 326.406 3.987 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H](N[C@H](C)C[C@@H](C)[NH3+])CCC3)cc1 ZINC000422909718 1028043550 /nfs/dbraw/zinc/04/35/50/1028043550.db2.gz OVWQGMUEARLMRP-XJKCOSOUSA-N 1 3 345.512 3.912 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1OC ZINC000502268871 1028066691 /nfs/dbraw/zinc/06/66/91/1028066691.db2.gz NPKAYFSQRVFUBM-MSOLQXFVSA-N 1 3 348.531 3.797 20 0 EHADHO [NH3+][C@H]1C[C@H](Nc2cccc(CN3CCSCC3)c2)c2ccccc21 ZINC000422955792 1028095520 /nfs/dbraw/zinc/09/55/20/1028095520.db2.gz NLKOSCRUQFLRKN-PMACEKPBSA-N 1 3 339.508 3.792 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423039117 1028144686 /nfs/dbraw/zinc/14/46/86/1028144686.db2.gz PTRDQEIAUIMGSE-WSXQUGQNSA-N 1 3 343.446 3.559 20 0 EHADHO CC(C)N1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423040875 1028145780 /nfs/dbraw/zinc/14/57/80/1028145780.db2.gz IFBFFVJGZCYMDU-UHIXZJCNSA-N 1 3 341.902 3.718 20 0 EHADHO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)cn(C)c2c1 ZINC000423060665 1028155691 /nfs/dbraw/zinc/15/56/91/1028155691.db2.gz OVSRCWPNSYXGIB-HNNXBMFYSA-N 1 3 336.483 3.542 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073899 1028162885 /nfs/dbraw/zinc/16/28/85/1028162885.db2.gz SOMURDBMSUYMGL-INWMFGNUSA-N 1 3 342.314 3.550 20 0 EHADHO Brc1cccc(C[C@H](CC2CC2)[NH2+]C2CCNCC2)c1 ZINC000423055331 1028166667 /nfs/dbraw/zinc/16/66/67/1028166667.db2.gz VXIGGFIQRMDIKQ-KRWDZBQOSA-N 1 3 337.305 3.502 20 0 EHADHO COCCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(Cl)cc1 ZINC000423097330 1028180666 /nfs/dbraw/zinc/18/06/66/1028180666.db2.gz ANGSCPXXIAQWIP-LMMKCTJWSA-N 1 3 338.923 3.957 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423101740 1028185800 /nfs/dbraw/zinc/18/58/00/1028185800.db2.gz JAUQMAGWKIWRNY-ZDUSSCGKSA-N 1 3 342.874 3.808 20 0 EHADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC000246311826 1028201697 /nfs/dbraw/zinc/20/16/97/1028201697.db2.gz DUNDYKFPCXKHPF-FDFHNCONSA-N 1 3 342.527 3.812 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000423206384 1028276893 /nfs/dbraw/zinc/27/68/93/1028276893.db2.gz BXVSMUIGYKZMIP-JGGQBBKZSA-N 1 3 337.305 3.723 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](N)C(C)C)CCC3)cc1 ZINC000423275702 1028339059 /nfs/dbraw/zinc/33/90/59/1028339059.db2.gz NMHLSHRILBLTRX-HOTGVXAUSA-N 1 3 345.512 3.769 20 0 EHADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319095 1028348180 /nfs/dbraw/zinc/34/81/80/1028348180.db2.gz LOHBRNLKOIBLIA-VBKZILBWSA-N 1 3 328.431 3.793 20 0 EHADHO C[NH+]1CCC(NC/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459379989 1028475899 /nfs/dbraw/zinc/47/58/99/1028475899.db2.gz PVFVOGNZUNQAFZ-YVMONPNESA-N 1 3 336.479 3.963 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1F ZINC000246967965 1028721087 /nfs/dbraw/zinc/72/10/87/1028721087.db2.gz JENVDAAQCMJVOL-RBSFLKMASA-N 1 3 326.431 3.505 20 0 EHADHO Fc1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771627 1028765380 /nfs/dbraw/zinc/76/53/80/1028765380.db2.gz ABOWKGVHJMQKFN-JKSUJKDBSA-N 1 3 345.487 3.771 20 0 EHADHO c1csc([C@H](Cc2ccncc2)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000424269402 1028917468 /nfs/dbraw/zinc/91/74/68/1028917468.db2.gz PGKQCNPQSCRGND-AEFFLSMTSA-N 1 3 327.497 3.501 20 0 EHADHO c1csc([C@H](Cc2ccncc2)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000424269402 1028917481 /nfs/dbraw/zinc/91/74/81/1028917481.db2.gz PGKQCNPQSCRGND-AEFFLSMTSA-N 1 3 327.497 3.501 20 0 EHADHO C[C@@H]1CC2(CN1Cc1ccc(F)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424382818 1029037206 /nfs/dbraw/zinc/03/72/06/1029037206.db2.gz SXXFJCYQSIEYDO-GFCCVEGCSA-N 1 3 330.369 3.809 20 0 EHADHO Cc1nc(COc2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)cs1 ZINC000414790466 1029086451 /nfs/dbraw/zinc/08/64/51/1029086451.db2.gz AFDDGUDTSAUSRO-QFBILLFUSA-N 1 3 345.512 3.638 20 0 EHADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc(Cl)c1OC ZINC000414811187 1029303383 /nfs/dbraw/zinc/30/33/83/1029303383.db2.gz PATVZJXVJSGFOK-LBPRGKRZSA-N 1 3 334.847 3.667 20 0 EHADHO C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272164175 1029340157 /nfs/dbraw/zinc/34/01/57/1029340157.db2.gz GNFISHKJWROWOJ-PXNSSMCTSA-N 1 3 348.494 3.574 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000155711604 1029630241 /nfs/dbraw/zinc/63/02/41/1029630241.db2.gz BSXLHHULLJNGEA-UHFFFAOYSA-N 1 3 339.483 3.842 20 0 EHADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cc2n(n1)CCCC2 ZINC000647294596 1029885051 /nfs/dbraw/zinc/88/50/51/1029885051.db2.gz IMZANUWIMLBLQT-LMDPOFIKSA-N 1 3 344.547 3.913 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Br ZINC000583527241 1030037284 /nfs/dbraw/zinc/03/72/84/1030037284.db2.gz SKHUMHHKYFZKGT-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Br ZINC000583527241 1030037299 /nfs/dbraw/zinc/03/72/99/1030037299.db2.gz SKHUMHHKYFZKGT-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453275403 1030060397 /nfs/dbraw/zinc/06/03/97/1030060397.db2.gz LTKMFSJQQKAJES-QHAWAJNXSA-N 1 3 344.543 3.675 20 0 EHADHO Cc1c([C@H](C)[NH2+][C@H](C)CCN(C)C)cnn1-c1cc(C)ccc1C ZINC000481950459 1030130578 /nfs/dbraw/zinc/13/05/78/1030130578.db2.gz BJRDKMWCGNVGBH-SJORKVTESA-N 1 3 328.504 3.788 20 0 EHADHO CCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)COC1 ZINC000453361482 1030139114 /nfs/dbraw/zinc/13/91/14/1030139114.db2.gz KCRLFIKNLBQPIA-QHAWAJNXSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1ncsc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771997 1030190748 /nfs/dbraw/zinc/19/07/48/1030190748.db2.gz IMJXLETVFZIWGO-GOSISDBHSA-N 1 3 341.524 3.843 20 0 EHADHO C[N@H+](CCCCN[C@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000453396979 1030250794 /nfs/dbraw/zinc/25/07/94/1030250794.db2.gz JCEDGAUWNTWSEZ-HXUWFJFHSA-N 1 3 327.447 3.774 20 0 EHADHO C[N@@H+](CCCCN[C@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000453396979 1030250814 /nfs/dbraw/zinc/25/08/14/1030250814.db2.gz JCEDGAUWNTWSEZ-HXUWFJFHSA-N 1 3 327.447 3.774 20 0 EHADHO CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000532229344 1030491635 /nfs/dbraw/zinc/49/16/35/1030491635.db2.gz VXELFGFOKORYQX-IAGOWNOFSA-N 1 3 344.503 3.816 20 0 EHADHO Cc1ncc(CN2CCC(CCC[NH+](C)C)CC2)n1-c1ccccc1 ZINC000093688564 1030662057 /nfs/dbraw/zinc/66/20/57/1030662057.db2.gz BCPYEIZVCKQKMJ-UHFFFAOYSA-N 1 3 340.515 3.735 20 0 EHADHO [NH3+]Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000650753275 1030693950 /nfs/dbraw/zinc/69/39/50/1030693950.db2.gz KITGXDKPCIIGAW-OXJNMPFZSA-N 1 3 328.431 3.542 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(SC)c(OC)c1 ZINC000650758020 1030818402 /nfs/dbraw/zinc/81/84/02/1030818402.db2.gz GZAQVXAPIRCORG-CQSZACIVSA-N 1 3 330.497 3.987 20 0 EHADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(CN(C)C)CCCC1)CCS2 ZINC000343472746 1031021863 /nfs/dbraw/zinc/02/18/63/1031021863.db2.gz WGIRNVLRTYTZSI-KRWDZBQOSA-N 1 3 334.529 3.944 20 0 EHADHO C[C@@H]1C[C@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100058 1031328223 /nfs/dbraw/zinc/32/82/23/1031328223.db2.gz FPJSMAIGZRVKGN-CZUORRHYSA-N 1 3 342.405 3.523 20 0 EHADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178035032 1031609140 /nfs/dbraw/zinc/60/91/40/1031609140.db2.gz FVTXVNZYOXRCJF-WSTZPKSXSA-N 1 3 346.515 3.688 20 0 EHADHO Cc1nn(C)c(C)c1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158887679 1031710650 /nfs/dbraw/zinc/71/06/50/1031710650.db2.gz ZAXFFWXWKNPVMX-MRXNPFEDSA-N 1 3 332.536 3.513 20 0 EHADHO Cc1nn(C)c(C)c1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158887679 1031710666 /nfs/dbraw/zinc/71/06/66/1031710666.db2.gz ZAXFFWXWKNPVMX-MRXNPFEDSA-N 1 3 332.536 3.513 20 0 EHADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000594494856 1033397688 /nfs/dbraw/zinc/39/76/88/1033397688.db2.gz JJBQJERMUORVDU-JXFKEZNVSA-N 1 3 344.499 3.561 20 0 EHADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3cnc4ccccc4c3)C2)cc1 ZINC000728594622 1033425749 /nfs/dbraw/zinc/42/57/49/1033425749.db2.gz SCCXLUZHPOBCHN-HXUWFJFHSA-N 1 3 345.490 3.889 20 0 EHADHO COc1ccc([C@H](Cc2ccccc2)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000685647346 1033670060 /nfs/dbraw/zinc/67/00/60/1033670060.db2.gz WQOQATLRHNVFSH-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO COc1ccc([C@H](Cc2ccccc2)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000685647346 1033670066 /nfs/dbraw/zinc/67/00/66/1033670066.db2.gz WQOQATLRHNVFSH-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000574989197 1033751380 /nfs/dbraw/zinc/75/13/80/1033751380.db2.gz IGKNTWADMZWROP-HXUWFJFHSA-N 1 3 348.556 3.876 20 0 EHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000658017765 1033844414 /nfs/dbraw/zinc/84/44/14/1033844414.db2.gz BBHGXCPZBGMUGB-PMACEKPBSA-N 1 3 328.500 3.590 20 0 EHADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658123944 1033982683 /nfs/dbraw/zinc/98/26/83/1033982683.db2.gz OCXHREUWUOIGKT-XPWALMASSA-N 1 3 349.522 3.823 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC000450260867 1034000610 /nfs/dbraw/zinc/00/06/10/1034000610.db2.gz LLKYSRIOSPUZNK-UHFFFAOYSA-N 1 3 327.472 3.800 20 0 EHADHO C[C@H](COc1c(F)cccc1F)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658178753 1034021076 /nfs/dbraw/zinc/02/10/76/1034021076.db2.gz VBSDDIWOIWPJQW-CYBMUJFWSA-N 1 3 326.431 3.585 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164936 1034029047 /nfs/dbraw/zinc/02/90/47/1034029047.db2.gz GTDHVBFRRFEPLA-NRFANRHFSA-N 1 3 339.458 3.710 20 0 EHADHO CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccn1 ZINC000658164498 1034029670 /nfs/dbraw/zinc/02/96/70/1034029670.db2.gz DYWTXZVYMCRBRL-FQEVSTJZSA-N 1 3 338.499 3.820 20 0 EHADHO C[C@H](Cc1ccccc1F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164439 1034030016 /nfs/dbraw/zinc/03/00/16/1034030016.db2.gz CZDVGWWIKXMNBQ-QGZVFWFLSA-N 1 3 341.474 3.654 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329368 1034403599 /nfs/dbraw/zinc/40/35/99/1034403599.db2.gz NOXXCYSXEINTKG-ZIAGYGMSSA-N 1 3 340.870 3.631 20 0 EHADHO Cc1ncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)n1-c1ccccc1 ZINC000534346955 1034417325 /nfs/dbraw/zinc/41/73/25/1034417325.db2.gz DKRLXBVZHPFIKK-UHFFFAOYSA-N 1 3 340.515 3.733 20 0 EHADHO Cc1ncc(CN2CCC(C[N@H+](C)C(C)C)CC2)n1-c1ccccc1 ZINC000534346955 1034417337 /nfs/dbraw/zinc/41/73/37/1034417337.db2.gz DKRLXBVZHPFIKK-UHFFFAOYSA-N 1 3 340.515 3.733 20 0 EHADHO CN(C)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000605026327 1034598149 /nfs/dbraw/zinc/59/81/49/1034598149.db2.gz ONPWWKLHTFRCHL-HWKANZROSA-N 1 3 337.305 3.878 20 0 EHADHO CCOc1cc2[nH+]ccc(N3CCN(C(C)C)CC3)c2cc1OCC ZINC000303486778 1035029689 /nfs/dbraw/zinc/02/96/89/1035029689.db2.gz KASAQLURXPYJHE-UHFFFAOYSA-N 1 3 343.471 3.563 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1(C)C ZINC000414136045 1035702646 /nfs/dbraw/zinc/70/26/46/1035702646.db2.gz HPHPKARTABPLTP-PKOBYXMFSA-N 1 3 349.950 3.592 20 0 EHADHO C[N@H+](Cc1ccc(Br)cc1)C1CCN(CC2CC2)CC1 ZINC001168381719 1035706296 /nfs/dbraw/zinc/70/62/96/1035706296.db2.gz ZOJXBBZKKVTBNV-UHFFFAOYSA-N 1 3 337.305 3.755 20 0 EHADHO C[N@@H+](Cc1ccc(Br)cc1)C1CCN(CC2CC2)CC1 ZINC001168381719 1035706313 /nfs/dbraw/zinc/70/63/13/1035706313.db2.gz ZOJXBBZKKVTBNV-UHFFFAOYSA-N 1 3 337.305 3.755 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000414169872 1035870333 /nfs/dbraw/zinc/87/03/33/1035870333.db2.gz BQRISIYQFUHEOA-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169872 1035870359 /nfs/dbraw/zinc/87/03/59/1035870359.db2.gz BQRISIYQFUHEOA-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1F ZINC000414195219 1036011127 /nfs/dbraw/zinc/01/11/27/1036011127.db2.gz UYRMHZCPWNPBIK-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1F ZINC000414195219 1036011144 /nfs/dbraw/zinc/01/11/44/1036011144.db2.gz UYRMHZCPWNPBIK-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO Fc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)c(F)c1F ZINC000541570160 1036460373 /nfs/dbraw/zinc/46/03/73/1036460373.db2.gz RVKMMNYUFKOQMN-UHFFFAOYSA-N 1 3 326.406 3.643 20 0 EHADHO Brc1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000178902426 1037128835 /nfs/dbraw/zinc/12/88/35/1037128835.db2.gz NTQHJUUYVKBJRN-UHFFFAOYSA-N 1 3 329.282 3.788 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000171128752 1037463374 /nfs/dbraw/zinc/46/33/74/1037463374.db2.gz CNNFEICTQZARFW-LJQANCHMSA-N 1 3 328.456 3.777 20 0 EHADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000151714673 1037577011 /nfs/dbraw/zinc/57/70/11/1037577011.db2.gz ZLCSWUKWEUJSHC-KRWDZBQOSA-N 1 3 338.499 3.930 20 0 EHADHO Cc1ccc2nccc(NCc3ccccc3OCC[NH+](C)C)c2c1 ZINC000573889669 1037793919 /nfs/dbraw/zinc/79/39/19/1037793919.db2.gz IIODOJBRZTZSDI-UHFFFAOYSA-N 1 3 335.451 3.518 20 0 EHADHO CC(C)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000463136877 1037802031 /nfs/dbraw/zinc/80/20/31/1037802031.db2.gz HTAQXIUKMMIWCO-HMXCVIKNSA-N 1 3 331.548 3.605 20 0 EHADHO CCN1CCC([NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000540408705 1037905101 /nfs/dbraw/zinc/90/51/01/1037905101.db2.gz XHCGBIIZSWHETL-NRFANRHFSA-N 1 3 342.458 3.998 20 0 EHADHO c1ccc2oc([C@H]3CCC[N@@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000124902911 1038252131 /nfs/dbraw/zinc/25/21/31/1038252131.db2.gz QPPOQFUDYVEUQX-KRWDZBQOSA-N 1 3 327.472 3.883 20 0 EHADHO c1ccc2oc([C@H]3CCC[N@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000124902911 1038252147 /nfs/dbraw/zinc/25/21/47/1038252147.db2.gz QPPOQFUDYVEUQX-KRWDZBQOSA-N 1 3 327.472 3.883 20 0 EHADHO O=C(CCN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000538668949 1038462473 /nfs/dbraw/zinc/46/24/73/1038462473.db2.gz VQRDNBUHCNYGFE-UHFFFAOYSA-N 1 3 346.490 3.987 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1F ZINC000539075005 1038671459 /nfs/dbraw/zinc/67/14/59/1038671459.db2.gz NYJFYZCYFOVDPF-FXAWDEMLSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1F ZINC000539075005 1038671463 /nfs/dbraw/zinc/67/14/63/1038671463.db2.gz NYJFYZCYFOVDPF-FXAWDEMLSA-N 1 3 342.458 3.705 20 0 EHADHO CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000539215777 1038735033 /nfs/dbraw/zinc/73/50/33/1038735033.db2.gz RTZAIZXEDNBTEM-IRXDYDNUSA-N 1 3 341.499 3.996 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N1CCCCC1 ZINC000479851482 1038784833 /nfs/dbraw/zinc/78/48/33/1038784833.db2.gz LECDYPRPCJDALJ-FPOVZHCZSA-N 1 3 343.559 3.751 20 0 EHADHO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCNC1 ZINC000569971511 1038847522 /nfs/dbraw/zinc/84/75/22/1038847522.db2.gz DPDYJFUKFSJSCV-SFHVURJKSA-N 1 3 340.515 3.721 20 0 EHADHO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCNC1 ZINC000569971511 1038847550 /nfs/dbraw/zinc/84/75/50/1038847550.db2.gz DPDYJFUKFSJSCV-SFHVURJKSA-N 1 3 340.515 3.721 20 0 EHADHO COc1cccc(C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C2CC2)c1 ZINC000477945671 1039066562 /nfs/dbraw/zinc/06/65/62/1039066562.db2.gz PEVBDACPICNGDH-HXUWFJFHSA-N 1 3 330.516 3.728 20 0 EHADHO CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159844 1039330524 /nfs/dbraw/zinc/33/05/24/1039330524.db2.gz UXSPXRONLAWMCO-PMACEKPBSA-N 1 3 336.483 3.943 20 0 EHADHO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159844 1039330538 /nfs/dbraw/zinc/33/05/38/1039330538.db2.gz UXSPXRONLAWMCO-PMACEKPBSA-N 1 3 336.483 3.943 20 0 EHADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512629640 1040333245 /nfs/dbraw/zinc/33/32/45/1040333245.db2.gz JRMVZWZMOFBJKF-MIUGBVLSSA-N 1 3 342.527 3.834 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cccc(O)c2OC)CC1)CC1CC1 ZINC000491057112 1040894970 /nfs/dbraw/zinc/89/49/70/1040894970.db2.gz DFTLQURUPIYLBP-UHFFFAOYSA-N 1 3 346.515 3.735 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cccc(O)c2OC)CC1)CC1CC1 ZINC000491057112 1040894975 /nfs/dbraw/zinc/89/49/75/1040894975.db2.gz DFTLQURUPIYLBP-UHFFFAOYSA-N 1 3 346.515 3.735 20 0 EHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC/C=C/c1ccncc1 ZINC000487318737 1040908301 /nfs/dbraw/zinc/90/83/01/1040908301.db2.gz NIFXFUXXDLBBLK-DCQHUWKXSA-N 1 3 335.495 3.841 20 0 EHADHO C[C@@H]1CN(Cc2cc(Cl)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205997070 1132638603 /nfs/dbraw/zinc/63/86/03/1132638603.db2.gz ZKMLWGOHZOSAKG-VXGBXAGGSA-N 1 3 345.712 3.909 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731682 1041305802 /nfs/dbraw/zinc/30/58/02/1041305802.db2.gz WCBMQXCHEMLMCZ-IIBYNOLFSA-N 1 3 336.479 3.718 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481731682 1041305816 /nfs/dbraw/zinc/30/58/16/1041305816.db2.gz WCBMQXCHEMLMCZ-IIBYNOLFSA-N 1 3 336.479 3.718 20 0 EHADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCC(=O)OC(C)(C)C)CC1 ZINC000512964593 1041308723 /nfs/dbraw/zinc/30/87/23/1041308723.db2.gz SCPWRQOYSHMEKU-WMZOPIPTSA-N 1 3 338.536 3.741 20 0 EHADHO C[C@@H](COCC1CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652287104 1042309408 /nfs/dbraw/zinc/30/94/08/1042309408.db2.gz NPLBCLPFGRCYTE-DVWBAYGPSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@@H](COCC1CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287104 1042309414 /nfs/dbraw/zinc/30/94/14/1042309414.db2.gz NPLBCLPFGRCYTE-DVWBAYGPSA-N 1 3 328.500 3.587 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348572 1042409549 /nfs/dbraw/zinc/40/95/49/1042409549.db2.gz IRQPASUZQXYISI-JOQQVMPUSA-N 1 3 338.442 3.634 20 0 EHADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(OC(F)F)cc1 ZINC000662280111 1042652910 /nfs/dbraw/zinc/65/29/10/1042652910.db2.gz CNPZTHVVAXDTSM-CYBMUJFWSA-N 1 3 332.394 3.785 20 0 EHADHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1OC ZINC000162588958 1042741339 /nfs/dbraw/zinc/74/13/39/1042741339.db2.gz KPODRDMGBNQNKA-HXUWFJFHSA-N 1 3 342.483 3.877 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790472 1042894182 /nfs/dbraw/zinc/89/41/82/1042894182.db2.gz AYHCYRHTNKRWSC-AOIWGVFYSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790472 1042894186 /nfs/dbraw/zinc/89/41/86/1042894186.db2.gz AYHCYRHTNKRWSC-AOIWGVFYSA-N 1 3 339.483 3.794 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663472103 1042902573 /nfs/dbraw/zinc/90/25/73/1042902573.db2.gz YRJNTGODKYEFOM-ZHALLVOQSA-N 1 3 330.516 3.899 20 0 EHADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418629 1043143840 /nfs/dbraw/zinc/14/38/40/1043143840.db2.gz UBQHRFHNRMCADN-RZQQEMMASA-N 1 3 334.479 3.540 20 0 EHADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418629 1043143846 /nfs/dbraw/zinc/14/38/46/1043143846.db2.gz UBQHRFHNRMCADN-RZQQEMMASA-N 1 3 334.479 3.540 20 0 EHADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc2cccnc12 ZINC000344112190 1043266803 /nfs/dbraw/zinc/26/68/03/1043266803.db2.gz KPUCLVLBBBBKTR-QZTJIDSGSA-N 1 3 341.499 3.522 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623422226 1126950798 /nfs/dbraw/zinc/95/07/98/1126950798.db2.gz NKQLVEBYPSDARB-PXNSSMCTSA-N 1 3 329.532 3.674 20 0 EHADHO C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000623655763 1127006033 /nfs/dbraw/zinc/00/60/33/1127006033.db2.gz DXPDVIKUCKBFLP-HUUCEWRRSA-N 1 3 339.321 3.874 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121609 1127255784 /nfs/dbraw/zinc/25/57/84/1127255784.db2.gz YXZBQMKGSPDFMU-QZTJIDSGSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624121609 1127255786 /nfs/dbraw/zinc/25/57/86/1127255786.db2.gz YXZBQMKGSPDFMU-QZTJIDSGSA-N 1 3 345.531 3.849 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624121609 1127255787 /nfs/dbraw/zinc/25/57/87/1127255787.db2.gz YXZBQMKGSPDFMU-QZTJIDSGSA-N 1 3 345.531 3.849 20 0 EHADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000182683498 1127342827 /nfs/dbraw/zinc/34/28/27/1127342827.db2.gz MNTYLYDQTFHANJ-HXUWFJFHSA-N 1 3 342.458 3.933 20 0 EHADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000765238846 1127587299 /nfs/dbraw/zinc/58/72/99/1127587299.db2.gz MKMSRKXIBAEGDO-HSZRJFAPSA-N 1 3 349.522 3.520 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCc3cc(C)ccc32)[C@@H](C)C1 ZINC000765428672 1127612120 /nfs/dbraw/zinc/61/21/20/1127612120.db2.gz UJVLCKWTASMVAR-DZFGPLHGSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3cc(C)ccc32)[C@@H](C)C1 ZINC000765428672 1127612122 /nfs/dbraw/zinc/61/21/22/1127612122.db2.gz UJVLCKWTASMVAR-DZFGPLHGSA-N 1 3 330.516 3.709 20 0 EHADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980823 1127617676 /nfs/dbraw/zinc/61/76/76/1127617676.db2.gz RAVKJVASNARCHG-LEWJYISDSA-N 1 3 342.527 3.980 20 0 EHADHO COc1ccc([C@H]2C[C@@H]([N@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591224 1128179252 /nfs/dbraw/zinc/17/92/52/1128179252.db2.gz UMCFXFOOPVJUGV-PZJWPPBQSA-N 1 3 346.515 3.899 20 0 EHADHO COc1ccc([C@H]2C[C@@H]([N@@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591224 1128179254 /nfs/dbraw/zinc/17/92/54/1128179254.db2.gz UMCFXFOOPVJUGV-PZJWPPBQSA-N 1 3 346.515 3.899 20 0 EHADHO Cc1cccc2c1[nH+]cc(C)c2N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000185276237 1120406825 /nfs/dbraw/zinc/40/68/25/1120406825.db2.gz UINUQLRATYOYDB-KRWDZBQOSA-N 1 3 339.483 3.541 20 0 EHADHO Cc1ccc([C@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000192745760 1120746792 /nfs/dbraw/zinc/74/67/92/1120746792.db2.gz FZTKLEGQHWWHIT-JOCHJYFZSA-N 1 3 343.559 3.938 20 0 EHADHO Cc1ccc([C@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000192745760 1120746798 /nfs/dbraw/zinc/74/67/98/1120746798.db2.gz FZTKLEGQHWWHIT-JOCHJYFZSA-N 1 3 343.559 3.938 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227914896 1120924071 /nfs/dbraw/zinc/92/40/71/1120924071.db2.gz CJUVVYKFLHZPOM-XYPHTWIQSA-N 1 3 337.305 3.597 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227914896 1120924076 /nfs/dbraw/zinc/92/40/76/1120924076.db2.gz CJUVVYKFLHZPOM-XYPHTWIQSA-N 1 3 337.305 3.597 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494975473 1120925047 /nfs/dbraw/zinc/92/50/47/1120925047.db2.gz DOKKFCRLZOGQFB-YVMONPNESA-N 1 3 335.495 3.939 20 0 EHADHO C[N@H+](Cc1ccccc1)CC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494975473 1120925050 /nfs/dbraw/zinc/92/50/50/1120925050.db2.gz DOKKFCRLZOGQFB-YVMONPNESA-N 1 3 335.495 3.939 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc3c(c2)nc(CC)n3C2CC2)CC1 ZINC000338778256 1128961970 /nfs/dbraw/zinc/96/19/70/1128961970.db2.gz JXIAJBDWWSTNAY-UHFFFAOYSA-N 1 3 340.515 3.898 20 0 EHADHO C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000282111064 1121348329 /nfs/dbraw/zinc/34/83/29/1121348329.db2.gz AFICCHYAHIJWMK-GVDBMIGSSA-N 1 3 337.511 3.878 20 0 EHADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873121 1121551693 /nfs/dbraw/zinc/55/16/93/1121551693.db2.gz FZSNVBCMLUOLPW-MAUKXSAKSA-N 1 3 347.503 3.772 20 0 EHADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873121 1121551698 /nfs/dbraw/zinc/55/16/98/1121551698.db2.gz FZSNVBCMLUOLPW-MAUKXSAKSA-N 1 3 347.503 3.772 20 0 EHADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000171765934 1121752250 /nfs/dbraw/zinc/75/22/50/1121752250.db2.gz UODLGVSVTNQYFY-INIZCTEOSA-N 1 3 328.456 3.574 20 0 EHADHO CN(Cc1cc(F)ccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130107338 1122886457 /nfs/dbraw/zinc/88/64/57/1122886457.db2.gz RDIHSVFUYPCENI-UHFFFAOYSA-N 1 3 331.410 3.708 20 0 EHADHO FC(F)(F)c1ccnc(CCNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000556231586 1122894102 /nfs/dbraw/zinc/89/41/02/1122894102.db2.gz FONQZYOQJZYVQT-UHFFFAOYSA-N 1 3 341.421 3.640 20 0 EHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153867 1123253562 /nfs/dbraw/zinc/25/35/62/1123253562.db2.gz BACJHZAOQMQGBK-LRSLUSHPSA-N 1 3 348.490 3.775 20 0 EHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2Cc4ccccc4O2)C3)cc1 ZINC000499153867 1123253565 /nfs/dbraw/zinc/25/35/65/1123253565.db2.gz BACJHZAOQMQGBK-LRSLUSHPSA-N 1 3 348.490 3.775 20 0 EHADHO C[C@H](CN1CCCCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245689552 1123925703 /nfs/dbraw/zinc/92/57/03/1123925703.db2.gz KDEYKLRZGYXRJJ-NMIHRBCNSA-N 1 3 341.543 3.646 20 0 EHADHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000247038320 1124580163 /nfs/dbraw/zinc/58/01/63/1124580163.db2.gz OAODXDQZPJBJGB-MQIPJXDCSA-N 1 3 330.394 3.532 20 0 EHADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cc(-n2ccnc2)cs1 ZINC000543173055 1129312562 /nfs/dbraw/zinc/31/25/62/1129312562.db2.gz ZEVBIZLIJKITKC-VQIMIIECSA-N 1 3 346.544 3.924 20 0 EHADHO Clc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657613301 1129447461 /nfs/dbraw/zinc/44/74/61/1129447461.db2.gz XNACOYIXYZOUKP-UHFFFAOYSA-N 1 3 335.904 3.798 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3occc3c2)CC1 ZINC000347850950 1129924112 /nfs/dbraw/zinc/92/41/12/1129924112.db2.gz KXADTHOTYIWGQL-UHFFFAOYSA-N 1 3 330.472 3.756 20 0 EHADHO CCCCCCc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000766122728 1130354444 /nfs/dbraw/zinc/35/44/44/1130354444.db2.gz NSATYBQKAMETNE-GOSISDBHSA-N 1 3 332.532 3.917 20 0 EHADHO Cn1ccnc1C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000675920781 1130502745 /nfs/dbraw/zinc/50/27/45/1130502745.db2.gz KZKUBUPGVVSARC-IBGZPJMESA-N 1 3 340.515 3.556 20 0 EHADHO S=c1ccn(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)c2ccccc12 ZINC000739877008 1131512420 /nfs/dbraw/zinc/51/24/20/1131512420.db2.gz RZXOOVULJHMFPG-INIZCTEOSA-N 1 3 327.497 3.746 20 0 EHADHO S=c1ccn(C[N@H+]2CC[C@@H](CN3CCCC3)C2)c2ccccc12 ZINC000739877008 1131512424 /nfs/dbraw/zinc/51/24/24/1131512424.db2.gz RZXOOVULJHMFPG-INIZCTEOSA-N 1 3 327.497 3.746 20 0 EHADHO CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC001172432471 1131725646 /nfs/dbraw/zinc/72/56/46/1131725646.db2.gz BITHNQYRFMMVAK-AYWYSENESA-N 1 3 330.516 3.690 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001172749084 1131831165 /nfs/dbraw/zinc/83/11/65/1131831165.db2.gz IDEKXIOVMGQCBA-ZWKOTPCHSA-N 1 3 336.520 3.517 20 0 EHADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172749084 1131831169 /nfs/dbraw/zinc/83/11/69/1131831169.db2.gz IDEKXIOVMGQCBA-ZWKOTPCHSA-N 1 3 336.520 3.517 20 0 EHADHO COC(=O)CCCC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001173449491 1132079819 /nfs/dbraw/zinc/07/98/19/1132079819.db2.gz UYMNZNQHGOZCOG-ROUUACIJSA-N 1 3 336.520 3.519 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ccnc(F)c3)c(F)c1)C2 ZINC001169098465 1132654694 /nfs/dbraw/zinc/65/46/94/1132654694.db2.gz IKLJMRICPPYZCK-BJWYYQGGSA-N 1 3 343.421 3.742 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1C(F)(F)F)C1CC1)C2 ZINC001169109323 1132671532 /nfs/dbraw/zinc/67/15/32/1132671532.db2.gz AUAAWMHZZRANQW-LOUJCGABSA-N 1 3 339.405 3.766 20 0 EHADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)cc1F ZINC001206025604 1132902974 /nfs/dbraw/zinc/90/29/74/1132902974.db2.gz OFOWHWZXZVOIGU-QWHCGFSZSA-N 1 3 343.284 3.703 20 0 EHADHO CCC[N@H+](CC[C@H]1CCCN1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892883 1133008164 /nfs/dbraw/zinc/00/81/64/1133008164.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 1 3 343.559 3.847 20 0 EHADHO CCC[N@@H+](CC[C@H]1CCCN1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892883 1133008169 /nfs/dbraw/zinc/00/81/69/1133008169.db2.gz YQGNZUUJZFEORI-OAQYLSRUSA-N 1 3 343.559 3.847 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCC2CCC2)CC1 ZINC001179183412 1133231256 /nfs/dbraw/zinc/23/12/56/1133231256.db2.gz JOLASMTXLBPHFI-UHFFFAOYSA-N 1 3 329.532 3.889 20 0 EHADHO C[C@H](C[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C)NC(=O)OC(C)(C)C ZINC000769683095 1133323920 /nfs/dbraw/zinc/32/39/20/1133323920.db2.gz VKLBRFOWLXRBIB-BRWVUGGUSA-N 1 3 341.540 3.532 20 0 EHADHO CC(C)(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CO)CCN(Cc2ccccc2)C1 ZINC001181775036 1133525533 /nfs/dbraw/zinc/52/55/33/1133525533.db2.gz AWTIVGKBNJUDIH-SJBKTWHCSA-N 1 3 344.543 3.675 20 0 EHADHO CCn1c2ccccc2nc1[C@H]1CCCN1CC1CC[NH+](C)CC1 ZINC000788487064 1134130788 /nfs/dbraw/zinc/13/07/88/1134130788.db2.gz BSAGVHCWELTXEP-LJQANCHMSA-N 1 3 326.488 3.535 20 0 EHADHO C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001170134424 1134408810 /nfs/dbraw/zinc/40/88/10/1134408810.db2.gz BYUMYGYXWMWAKB-FGTMMUONSA-N 1 3 348.556 3.992 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)C)cc1CN1CCCCC1 ZINC000775396149 1134720488 /nfs/dbraw/zinc/72/04/88/1134720488.db2.gz YTNGDMZJPDVOLH-FXAWDEMLSA-N 1 3 348.531 3.739 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001170418771 1134782078 /nfs/dbraw/zinc/78/20/78/1134782078.db2.gz AFQUJVFYYPFKDJ-KRWDZBQOSA-N 1 3 344.499 3.733 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001170418772 1134782671 /nfs/dbraw/zinc/78/26/71/1134782671.db2.gz AFQUJVFYYPFKDJ-QGZVFWFLSA-N 1 3 344.499 3.733 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2nccc3c2CCCC3)C1 ZINC001199321363 1135897677 /nfs/dbraw/zinc/89/76/77/1135897677.db2.gz WJTQVJUHNUIBJS-ROUUACIJSA-N 1 3 329.532 3.808 20 0 EHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001199328392 1135898220 /nfs/dbraw/zinc/89/82/20/1135898220.db2.gz ADCFQJMXJFJZEG-KOUHRCEDSA-N 1 3 336.564 3.929 20 0 EHADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001199328390 1135898288 /nfs/dbraw/zinc/89/82/88/1135898288.db2.gz ADCFQJMXJFJZEG-JYRKZWEQSA-N 1 3 336.564 3.929 20 0 EHADHO Cc1c(Cl)cccc1CNCc1cccc(OCC[NH+](C)C)c1 ZINC001199383928 1135902479 /nfs/dbraw/zinc/90/24/79/1135902479.db2.gz LFGRWRYILCMZGD-UHFFFAOYSA-N 1 3 332.875 3.879 20 0 EHADHO CC(C)CC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001201617834 1136047484 /nfs/dbraw/zinc/04/74/84/1136047484.db2.gz PHZLGMVZCITTOZ-KRWDZBQOSA-N 1 3 336.545 3.850 20 0 EHADHO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)ccc1SC(F)F ZINC000817969312 1136853902 /nfs/dbraw/zinc/85/39/02/1136853902.db2.gz BJLJQRLYHLJMHD-DRZSPHRISA-N 1 3 330.444 3.930 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCNC[C@@H]3C)CC2)cc1 ZINC000817970928 1136853935 /nfs/dbraw/zinc/85/39/35/1136853935.db2.gz HTBKIMXTZDEKEG-FZQMEJGWSA-N 1 3 330.516 3.528 20 0 EHADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Br)nc1 ZINC000817984040 1136855579 /nfs/dbraw/zinc/85/55/79/1136855579.db2.gz VGLJPHSKMBBMDU-CZUORRHYSA-N 1 3 348.288 3.975 20 0 EHADHO Cc1c(O)cccc1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001144117556 1137240107 /nfs/dbraw/zinc/24/01/07/1137240107.db2.gz GSDLKIWPBBFSGQ-JOCHJYFZSA-N 1 3 336.479 3.799 20 0 EHADHO Cc1c(O)cccc1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001144117556 1137240108 /nfs/dbraw/zinc/24/01/08/1137240108.db2.gz GSDLKIWPBBFSGQ-JOCHJYFZSA-N 1 3 336.479 3.799 20 0 EHADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000865661629 1137302626 /nfs/dbraw/zinc/30/26/26/1137302626.db2.gz VOAHIHOLTDJNQK-FYZZASKESA-N 1 3 330.516 3.549 20 0 EHADHO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000866590224 1137367144 /nfs/dbraw/zinc/36/71/44/1137367144.db2.gz PEEUTQFLDFXCAB-LJQANCHMSA-N 1 3 335.923 3.503 20 0 EHADHO COCC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716635881 1137487837 /nfs/dbraw/zinc/48/78/37/1137487837.db2.gz HBMUEJNENYXICK-ZCNNSNEGSA-N 1 3 330.516 3.692 20 0 EHADHO CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000716680087 1137488330 /nfs/dbraw/zinc/48/83/30/1137488330.db2.gz FRJKPILWMMPEFL-MUGJNUQGSA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716712762 1137488448 /nfs/dbraw/zinc/48/84/48/1137488448.db2.gz NGHPZMYWMHVVSF-YRPNKDGESA-N 1 3 328.500 3.587 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1nccs1 ZINC000716701604 1137488735 /nfs/dbraw/zinc/48/87/35/1137488735.db2.gz SCALWDOGDDXUMJ-KANFNMMFSA-N 1 3 341.524 3.889 20 0 EHADHO CCc1ccc2ccccc2c1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC001171491943 1137491540 /nfs/dbraw/zinc/49/15/40/1137491540.db2.gz ZKBVQBWLANNVJN-UHFFFAOYSA-N 1 3 338.495 3.699 20 0 EHADHO COc1ccc2c(c1)C[C@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)CS2 ZINC001171630104 1137499710 /nfs/dbraw/zinc/49/97/10/1137499710.db2.gz JBAWOKJHJDJOMW-HNNXBMFYSA-N 1 3 348.556 3.953 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ccccn3)CC2)CC1(C)C ZINC001171638233 1137504897 /nfs/dbraw/zinc/50/48/97/1137504897.db2.gz XTIFSEZDRCLZOG-UHFFFAOYSA-N 1 3 331.504 3.576 20 0 EHADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ccccn3)CC2)CC1(C)C ZINC001171638233 1137504898 /nfs/dbraw/zinc/50/48/98/1137504898.db2.gz XTIFSEZDRCLZOG-UHFFFAOYSA-N 1 3 331.504 3.576 20 0 EHADHO Fc1cccc2c1C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001171784003 1137512379 /nfs/dbraw/zinc/51/23/79/1137512379.db2.gz CKXDGNRXNSOBNQ-LJQANCHMSA-N 1 3 330.491 3.927 20 0 EHADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001171784003 1137512381 /nfs/dbraw/zinc/51/23/81/1137512381.db2.gz CKXDGNRXNSOBNQ-LJQANCHMSA-N 1 3 330.491 3.927 20 0 EHADHO CC(C)[N@H+]([C@H]1CCN(Cc2ccccc2)C(C)(C)C1)C(C)(C)CN ZINC001171975816 1137525155 /nfs/dbraw/zinc/52/51/55/1137525155.db2.gz GEWGCKAEZUHLOW-IBGZPJMESA-N 1 3 331.548 3.877 20 0 EHADHO CC(C)[N@@H+]([C@H]1CCN(Cc2ccccc2)C(C)(C)C1)C(C)(C)CN ZINC001171975816 1137525156 /nfs/dbraw/zinc/52/51/56/1137525156.db2.gz GEWGCKAEZUHLOW-IBGZPJMESA-N 1 3 331.548 3.877 20 0 EHADHO CC1(C)C[C@H]([NH2+]C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC001171981253 1137525913 /nfs/dbraw/zinc/52/59/13/1137525913.db2.gz BTYYDESVNQWANK-HXUWFJFHSA-N 1 3 341.543 3.646 20 0 EHADHO CC(C)N1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172081023 1137531026 /nfs/dbraw/zinc/53/10/26/1137531026.db2.gz ZFLLBJZZNJRJCR-ZBYYUNFXSA-N 1 3 341.543 3.598 20 0 EHADHO CC(C)N1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081023 1137531027 /nfs/dbraw/zinc/53/10/27/1137531027.db2.gz ZFLLBJZZNJRJCR-ZBYYUNFXSA-N 1 3 341.543 3.598 20 0 EHADHO N[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1F ZINC001206156977 1137536796 /nfs/dbraw/zinc/53/67/96/1137536796.db2.gz UXWKVGJRRVWUFB-VQTJNVASSA-N 1 3 328.431 3.527 20 0 EHADHO N[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1F ZINC001206156977 1137536798 /nfs/dbraw/zinc/53/67/98/1137536798.db2.gz UXWKVGJRRVWUFB-VQTJNVASSA-N 1 3 328.431 3.527 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001172111485 1137537638 /nfs/dbraw/zinc/53/76/38/1137537638.db2.gz UVLBMRDDVDTJGK-ZJOBFFGXSA-N 1 3 343.298 3.632 20 0 EHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000872031985 1137566547 /nfs/dbraw/zinc/56/65/47/1137566547.db2.gz ORNQDWZYKHODNU-NJYVYQBISA-N 1 3 344.543 3.734 20 0 EHADHO Fc1cccc2c(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c[nH]c21 ZINC001137057688 1137575553 /nfs/dbraw/zinc/57/55/53/1137575553.db2.gz MBJQNGKUFQZEOI-RTBURBONSA-N 1 3 349.453 3.871 20 0 EHADHO c1c(CN2CCCCC[C@H]2c2ccncc2)sc2c1C[NH2+]CC2 ZINC000873200343 1137593749 /nfs/dbraw/zinc/59/37/49/1137593749.db2.gz DWIIFGNPGLODRM-SFHVURJKSA-N 1 3 327.497 3.906 20 0 EHADHO Fc1cccc(OC2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC000873212073 1137594125 /nfs/dbraw/zinc/59/41/25/1137594125.db2.gz GUYHZVCTDBRNPZ-UHFFFAOYSA-N 1 3 346.471 3.576 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000873291510 1137596611 /nfs/dbraw/zinc/59/66/11/1137596611.db2.gz WPGGKFRTYLXZMA-QWHCGFSZSA-N 1 3 343.298 3.803 20 0 EHADHO O=c1[nH]ccc2oc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc21 ZINC000876778783 1137661092 /nfs/dbraw/zinc/66/10/92/1137661092.db2.gz OBAGFYCVRNZVDX-UHFFFAOYSA-N 1 3 343.471 3.621 20 0 EHADHO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000876989771 1137667111 /nfs/dbraw/zinc/66/71/11/1137667111.db2.gz FGSPUFYHLCOGNI-WAIKUNEKSA-N 1 3 344.480 3.954 20 0 EHADHO c1ccc([C@H]2C[C@@H](NCC3SCCS3)CC[N@@H+]2C2CC2)cc1 ZINC000877638433 1137684002 /nfs/dbraw/zinc/68/40/02/1137684002.db2.gz GSNKLXMFQILSOL-DOTOQJQBSA-N 1 3 334.554 3.750 20 0 EHADHO c1ccc([C@H]2C[C@@H](NCC3SCCS3)CC[N@H+]2C2CC2)cc1 ZINC000877638433 1137684003 /nfs/dbraw/zinc/68/40/03/1137684003.db2.gz GSNKLXMFQILSOL-DOTOQJQBSA-N 1 3 334.554 3.750 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)O2)cc1 ZINC000878286896 1137710022 /nfs/dbraw/zinc/71/00/22/1137710022.db2.gz UXKYDZRDDJGJAY-PDGJWGCVSA-N 1 3 340.511 3.855 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)O2)cc1 ZINC000878286896 1137710023 /nfs/dbraw/zinc/71/00/23/1137710023.db2.gz UXKYDZRDDJGJAY-PDGJWGCVSA-N 1 3 340.511 3.855 20 0 EHADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652910 1137723948 /nfs/dbraw/zinc/72/39/48/1137723948.db2.gz VVWRENFBFRJENS-HKBOAZHASA-N 1 3 328.500 3.715 20 0 EHADHO C[N@H+]1CCC[C@]2(CCN(C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)C1 ZINC000878652910 1137723949 /nfs/dbraw/zinc/72/39/49/1137723949.db2.gz VVWRENFBFRJENS-HKBOAZHASA-N 1 3 328.500 3.715 20 0 EHADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000883083841 1137844074 /nfs/dbraw/zinc/84/40/74/1137844074.db2.gz AGACWIBUYCZLPE-CRAIPNDOSA-N 1 3 343.902 3.922 20 0 EHADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(CCC2CCOCC2)CC1 ZINC001202668423 1137915178 /nfs/dbraw/zinc/91/51/78/1137915178.db2.gz LEQAIKIOSQJIIO-UHFFFAOYSA-N 1 3 334.479 3.539 20 0 EHADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(CCC2CCOCC2)CC1 ZINC001202668423 1137915179 /nfs/dbraw/zinc/91/51/79/1137915179.db2.gz LEQAIKIOSQJIIO-UHFFFAOYSA-N 1 3 334.479 3.539 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](c1cnn(C)c1)C(C)C ZINC000886495441 1138083668 /nfs/dbraw/zinc/08/36/68/1138083668.db2.gz YLUDJXGCRSHJBT-HXUWFJFHSA-N 1 3 328.504 3.749 20 0 EHADHO Cc1ccn2cc(CNC3CCC(C)([NH+]4CCCC4)CC3)nc2c1 ZINC000886522214 1138089524 /nfs/dbraw/zinc/08/95/24/1138089524.db2.gz FIUGUZQYJCHFCI-UHFFFAOYSA-N 1 3 326.488 3.529 20 0 EHADHO CCOC1CC(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886599381 1138100536 /nfs/dbraw/zinc/10/05/36/1138100536.db2.gz XSMOJTKFBQBQMV-GNOAVMNFSA-N 1 3 342.527 3.834 20 0 EHADHO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886622366 1138103382 /nfs/dbraw/zinc/10/33/82/1138103382.db2.gz QRNBVBOSGBXUMU-QGLKVJOYSA-N 1 3 328.500 3.587 20 0 EHADHO COC1([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886626465 1138103681 /nfs/dbraw/zinc/10/36/81/1138103681.db2.gz BXJSILMZDGPPQO-MDNKFWRPSA-N 1 3 328.500 3.587 20 0 EHADHO COc1cccc(OC)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886636572 1138103894 /nfs/dbraw/zinc/10/38/94/1138103894.db2.gz QMGHDZJFAZYHPA-UHFFFAOYSA-N 1 3 332.488 3.591 20 0 EHADHO Cc1ncc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000092821355 1138232169 /nfs/dbraw/zinc/23/21/69/1138232169.db2.gz SGTQDFZXDWGPRH-UHFFFAOYSA-N 1 3 330.501 3.585 20 0 EHADHO COCc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000124399813 1138285812 /nfs/dbraw/zinc/28/58/12/1138285812.db2.gz GPJYWVYOLZNEDK-QGZVFWFLSA-N 1 3 342.483 3.624 20 0 EHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337392807 1138554516 /nfs/dbraw/zinc/55/45/16/1138554516.db2.gz LVPMOFDNWJJXID-OAQYLSRUSA-N 1 3 341.543 3.507 20 0 EHADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(Cl)nc1 ZINC000179120049 1139736206 /nfs/dbraw/zinc/73/62/06/1139736206.db2.gz LAQIRFJWNKKBEY-OAHLLOKOSA-N 1 3 347.890 3.916 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000179697480 1139776031 /nfs/dbraw/zinc/77/60/31/1139776031.db2.gz KSVSZYPVJFFTCR-YLJYHZDGSA-N 1 3 339.483 3.796 20 0 EHADHO C[C@H]([NH2+]CCCOCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185744114 1140167646 /nfs/dbraw/zinc/16/76/46/1140167646.db2.gz HRGNDFMYODXMCA-ICSRJNTNSA-N 1 3 330.516 3.836 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(N(C)C(C)C)nc2)c1 ZINC000190955856 1140428525 /nfs/dbraw/zinc/42/85/25/1140428525.db2.gz WBVGQQVWNRLSQN-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(N(C)C(C)C)nc2)c1 ZINC000190955856 1140428528 /nfs/dbraw/zinc/42/85/28/1140428528.db2.gz WBVGQQVWNRLSQN-UHFFFAOYSA-N 1 3 340.515 3.668 20 0 EHADHO Cc1cccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000191458040 1140465611 /nfs/dbraw/zinc/46/56/11/1140465611.db2.gz BUJWXPBTMYDTBV-OAQYLSRUSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000191458040 1140465614 /nfs/dbraw/zinc/46/56/14/1140465614.db2.gz BUJWXPBTMYDTBV-OAQYLSRUSA-N 1 3 329.532 3.548 20 0 EHADHO C[C@@H]1COCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000192542197 1140537580 /nfs/dbraw/zinc/53/75/80/1140537580.db2.gz IQPARIZLDUUCCA-BEFAXECRSA-N 1 3 336.907 3.567 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268934924 1141029723 /nfs/dbraw/zinc/02/97/23/1141029723.db2.gz RJTSPMWJJPGWNW-RCZSKKKRSA-N 1 3 338.495 3.671 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268934924 1141029729 /nfs/dbraw/zinc/02/97/29/1141029729.db2.gz RJTSPMWJJPGWNW-RCZSKKKRSA-N 1 3 338.495 3.671 20 0 EHADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270413419 1141219977 /nfs/dbraw/zinc/21/99/77/1141219977.db2.gz DVOOMCNKFFKERY-RTBURBONSA-N 1 3 336.907 3.570 20 0 EHADHO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270868266 1141278185 /nfs/dbraw/zinc/27/81/85/1141278185.db2.gz IUSXTQFFIRYVIG-OAQYLSRUSA-N 1 3 347.522 3.767 20 0 EHADHO Cc1ccc(CCCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646246 1141561249 /nfs/dbraw/zinc/56/12/49/1141561249.db2.gz PDMCZVYQZLGLGZ-QHCPKHFHSA-N 1 3 349.522 3.921 20 0 EHADHO Cc1ccc(CCCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348646246 1141561250 /nfs/dbraw/zinc/56/12/50/1141561250.db2.gz PDMCZVYQZLGLGZ-QHCPKHFHSA-N 1 3 349.522 3.921 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424162 1014394095 /nfs/dbraw/zinc/39/40/95/1014394095.db2.gz YPQMQEFAGRXTTI-DOTOQJQBSA-N 1 3 330.451 3.536 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000155221415 1016320694 /nfs/dbraw/zinc/32/06/94/1016320694.db2.gz AFSAGFKFLWVMCJ-OAHLLOKOSA-N 1 3 346.906 3.636 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177093 1035911704 /nfs/dbraw/zinc/91/17/04/1035911704.db2.gz JNKUYDBYHVCYHB-ZIAGYGMSSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(C(=O)OC)cc1 ZINC000340181324 1016627677 /nfs/dbraw/zinc/62/76/77/1016627677.db2.gz JJIIKCGNLXKKNJ-FQEVSTJZSA-N 1 3 340.467 3.776 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000121090771 1016794556 /nfs/dbraw/zinc/79/45/56/1016794556.db2.gz KTJAXMPLRRZJBD-HXUWFJFHSA-N 1 3 346.421 3.682 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)c(F)c1 ZINC000624122369 1016923490 /nfs/dbraw/zinc/92/34/90/1016923490.db2.gz PIZQDRISQFANPM-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000628187919 1032154437 /nfs/dbraw/zinc/15/44/37/1032154437.db2.gz GMJVCYLZGDVGBO-VQTJNVASSA-N 1 3 335.580 3.693 20 0 EHADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379623347 1032181890 /nfs/dbraw/zinc/18/18/90/1032181890.db2.gz IEQXKVUPTKTIJR-RXVVDRJESA-N 1 3 329.532 3.504 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1OC1CCCC1 ZINC000536883424 1032389008 /nfs/dbraw/zinc/38/90/08/1032389008.db2.gz WKKBJWTXIOUFQR-JTDSTZFVSA-N 1 3 346.515 3.835 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000449261274 1032407889 /nfs/dbraw/zinc/40/78/89/1032407889.db2.gz ZLCYLXBRGRAELX-PXNSSMCTSA-N 1 3 330.516 3.629 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)c2ccccn2)CC1 ZINC000449398764 1032521504 /nfs/dbraw/zinc/52/15/04/1032521504.db2.gz WNQKWBBWGLTTBI-MJGOQNOKSA-N 1 3 329.532 3.992 20 0 EHADHO c1cncc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449540091 1032761641 /nfs/dbraw/zinc/76/16/41/1032761641.db2.gz XLEVCTAGAPFONS-TZIWHRDSSA-N 1 3 343.515 3.688 20 0 EHADHO c1cncc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449540091 1032761654 /nfs/dbraw/zinc/76/16/54/1032761654.db2.gz XLEVCTAGAPFONS-TZIWHRDSSA-N 1 3 343.515 3.688 20 0 EHADHO Cc1ccc(OC(F)F)c(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381329 1032775393 /nfs/dbraw/zinc/77/53/93/1032775393.db2.gz HRADYVQTUNZQHP-UHFFFAOYSA-N 1 3 326.431 3.760 20 0 EHADHO c1ccc(N2CC[C@@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000152495060 1018793106 /nfs/dbraw/zinc/79/31/06/1018793106.db2.gz NVXYXCZMECTZIT-IBGZPJMESA-N 1 3 341.543 3.900 20 0 EHADHO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000237109815 1019358414 /nfs/dbraw/zinc/35/84/14/1019358414.db2.gz QBVQYELXHBQEER-UHFFFAOYSA-N 1 3 337.467 3.644 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000501054836 1020687524 /nfs/dbraw/zinc/68/75/24/1020687524.db2.gz OHBBVTJUFFPXKE-FQEVSTJZSA-N 1 3 335.580 3.695 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000501054836 1020687529 /nfs/dbraw/zinc/68/75/29/1020687529.db2.gz OHBBVTJUFFPXKE-FQEVSTJZSA-N 1 3 335.580 3.695 20 0 EHADHO C[NH+](C)CCC1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000501086757 1020689363 /nfs/dbraw/zinc/68/93/63/1020689363.db2.gz DLDGCRKGCVZZSZ-UHFFFAOYSA-N 1 3 346.515 3.806 20 0 EHADHO CN(C)C[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000156177534 1020763217 /nfs/dbraw/zinc/76/32/17/1020763217.db2.gz JKZGOFSWFFSMDY-CQSZACIVSA-N 1 3 349.931 3.864 20 0 EHADHO CN(C)C[C@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000156177534 1020763221 /nfs/dbraw/zinc/76/32/21/1020763221.db2.gz JKZGOFSWFFSMDY-CQSZACIVSA-N 1 3 349.931 3.864 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000656683678 1021171706 /nfs/dbraw/zinc/17/17/06/1021171706.db2.gz NWVDXULPROFQNK-MRXNPFEDSA-N 1 3 327.447 3.784 20 0 EHADHO Fc1ccc2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2c1 ZINC000656784072 1021336988 /nfs/dbraw/zinc/33/69/88/1021336988.db2.gz YJDMHOCLLPIIPS-CQSZACIVSA-N 1 3 333.476 3.647 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000510468739 1021924122 /nfs/dbraw/zinc/92/41/22/1021924122.db2.gz GVLLXRAQURTTCN-UHFFFAOYSA-N 1 3 330.394 3.891 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000510468739 1021924127 /nfs/dbraw/zinc/92/41/27/1021924127.db2.gz GVLLXRAQURTTCN-UHFFFAOYSA-N 1 3 330.394 3.891 20 0 EHADHO FC(F)(F)[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)Cc1ccccc1 ZINC000517205832 1022133224 /nfs/dbraw/zinc/13/32/24/1022133224.db2.gz NWTQUEZSUZGURM-QGZVFWFLSA-N 1 3 340.433 3.872 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cnc3onc(C)c3c2)CC1 ZINC000894438202 1022282925 /nfs/dbraw/zinc/28/29/25/1022282925.db2.gz XOCKAELQHKWRRA-UHFFFAOYSA-N 1 3 344.503 3.865 20 0 EHADHO Cc1nc2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2s1 ZINC000426045665 1022759848 /nfs/dbraw/zinc/75/98/48/1022759848.db2.gz CFUDXNQHFPZVFN-UHFFFAOYSA-N 1 3 329.513 3.913 20 0 EHADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000443616138 1024237974 /nfs/dbraw/zinc/23/79/74/1024237974.db2.gz LSNNHCYLUJGOOC-DNVCBOLYSA-N 1 3 336.907 3.760 20 0 EHADHO CC(C)CSCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000443619116 1024251461 /nfs/dbraw/zinc/25/14/61/1024251461.db2.gz BFJIWMMIZMGYKE-QZTJIDSGSA-N 1 3 342.593 3.587 20 0 EHADHO COc1cncc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)c1 ZINC001168024699 1024354606 /nfs/dbraw/zinc/35/46/06/1024354606.db2.gz HNQAEJBDCSFYCC-IAGOWNOFSA-N 1 3 339.483 3.621 20 0 EHADHO C[C@@H](NCc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]C1 ZINC000414857885 1024500418 /nfs/dbraw/zinc/50/04/18/1024500418.db2.gz QKSQNBYWDPZSLN-AEFFLSMTSA-N 1 3 334.467 3.503 20 0 EHADHO Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)c2ccccc2[nH+]1 ZINC000425240782 1024507764 /nfs/dbraw/zinc/50/77/64/1024507764.db2.gz PICKZJAUAJRBMU-QGZVFWFLSA-N 1 3 346.478 3.998 20 0 EHADHO COC1CCC(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000895694459 1024729469 /nfs/dbraw/zinc/72/94/69/1024729469.db2.gz UXSUEQNAKVKRNV-OMZYAQQMSA-N 1 3 330.516 3.549 20 0 EHADHO CCN(Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435384382 1024867477 /nfs/dbraw/zinc/86/74/77/1024867477.db2.gz MMPQCSNFCQZKTF-OAHLLOKOSA-N 1 3 330.394 3.592 20 0 EHADHO CCN(Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435391393 1024876701 /nfs/dbraw/zinc/87/67/01/1024876701.db2.gz DZNMEBHWFZRERG-HXUWFJFHSA-N 1 3 339.483 3.625 20 0 EHADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CNC[C@H](C)C[NH3+] ZINC000414872286 1025062742 /nfs/dbraw/zinc/06/27/42/1025062742.db2.gz FSBDKPWYWPBRMH-MRXNPFEDSA-N 1 3 334.467 3.532 20 0 EHADHO Cc1cccc2[nH]c(CNCc3cccc(OCC[NH+](C)C)c3)cc21 ZINC000657315947 1025067913 /nfs/dbraw/zinc/06/79/13/1025067913.db2.gz VHYCCMXCCORQPJ-UHFFFAOYSA-N 1 3 337.467 3.707 20 0 EHADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012569 1025117423 /nfs/dbraw/zinc/11/74/23/1025117423.db2.gz CDKIYCSHOKKNEQ-KOUHRCEDSA-N 1 3 329.532 3.500 20 0 EHADHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CO1 ZINC000657354832 1025427523 /nfs/dbraw/zinc/42/75/23/1025427523.db2.gz VVTKHZQEGFANFS-QZTJIDSGSA-N 1 3 336.907 3.709 20 0 EHADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OCC(C)C ZINC000347053142 1025450117 /nfs/dbraw/zinc/45/01/17/1025450117.db2.gz RZDUHTVJAZMYDW-IBGZPJMESA-N 1 3 346.515 3.694 20 0 EHADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCc2ccccn2)c1 ZINC000515671701 1025459558 /nfs/dbraw/zinc/45/95/58/1025459558.db2.gz SYHFMNOBODNFRB-SZMVWBNQSA-N 1 3 325.456 3.581 20 0 EHADHO Clc1oc2ccccc2c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243452 1025536033 /nfs/dbraw/zinc/53/60/33/1025536033.db2.gz RPCMSPFLPOFDCV-OAHLLOKOSA-N 1 3 348.874 3.677 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442874115 1025544801 /nfs/dbraw/zinc/54/48/01/1025544801.db2.gz LUZUYEFJVPXYND-CYBMUJFWSA-N 1 3 344.330 3.670 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436308541 1025588844 /nfs/dbraw/zinc/58/88/44/1025588844.db2.gz QEVWLFXWYJGLGN-NRFANRHFSA-N 1 3 343.559 3.707 20 0 EHADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000392246455 1025648013 /nfs/dbraw/zinc/64/80/13/1025648013.db2.gz GFDOXBSJIUZMCR-LJQANCHMSA-N 1 3 329.488 3.519 20 0 EHADHO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192931775 1026640423 /nfs/dbraw/zinc/64/04/23/1026640423.db2.gz FPEXPRZMELKHAD-SFHVURJKSA-N 1 3 347.462 3.552 20 0 EHADHO Clc1ccc(-c2nc(CNCC[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000563422125 1026838895 /nfs/dbraw/zinc/83/88/95/1026838895.db2.gz PBEMZUGCWSQGCB-ZDUSSCGKSA-N 1 3 335.904 3.943 20 0 EHADHO Cc1cccc(C[N@@H+](CCCN2CCN(C(C)C)CC2)CC(C)C)c1 ZINC000501151630 1027100595 /nfs/dbraw/zinc/10/05/95/1027100595.db2.gz BNKMRDFWFKBAIN-UHFFFAOYSA-N 1 3 345.575 3.869 20 0 EHADHO Cc1cccc(C[N@H+](CCCN2CCN(C(C)C)CC2)CC(C)C)c1 ZINC000501151630 1027100604 /nfs/dbraw/zinc/10/06/04/1027100604.db2.gz BNKMRDFWFKBAIN-UHFFFAOYSA-N 1 3 345.575 3.869 20 0 EHADHO CN1CCCC[C@H]1CC[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000075860066 1027199632 /nfs/dbraw/zinc/19/96/32/1027199632.db2.gz YHZGKQQOUQRWBM-HNNXBMFYSA-N 1 3 348.516 3.537 20 0 EHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000075860066 1027199642 /nfs/dbraw/zinc/19/96/42/1027199642.db2.gz YHZGKQQOUQRWBM-HNNXBMFYSA-N 1 3 348.516 3.537 20 0 EHADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613501 1027631165 /nfs/dbraw/zinc/63/11/65/1027631165.db2.gz LSUDKQAOAZYAOA-WIYYLYMNSA-N 1 3 327.516 3.876 20 0 EHADHO c1cc(CN2CCC(C[NH2+]Cc3ccc4cnccc4c3)CC2)ccn1 ZINC000657612940 1027631251 /nfs/dbraw/zinc/63/12/51/1027631251.db2.gz GHDFTVBSRQBYQU-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607470 1027791756 /nfs/dbraw/zinc/79/17/56/1027791756.db2.gz GTCBJVHUXQOZIE-CVEARBPZSA-N 1 3 329.513 3.960 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000536607470 1027791776 /nfs/dbraw/zinc/79/17/76/1027791776.db2.gz GTCBJVHUXQOZIE-CVEARBPZSA-N 1 3 329.513 3.960 20 0 EHADHO C[C@@H]1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261831703 1027865674 /nfs/dbraw/zinc/86/56/74/1027865674.db2.gz JEMIQNRNSUURSM-VLIAUNLRSA-N 1 3 330.422 3.766 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)s2)cs1 ZINC000339073040 1027887802 /nfs/dbraw/zinc/88/78/02/1027887802.db2.gz ZAWKDPMOTYMBFI-GJZGRUSLSA-N 1 3 347.553 3.939 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)s2)cs1 ZINC000339073040 1027887824 /nfs/dbraw/zinc/88/78/24/1027887824.db2.gz ZAWKDPMOTYMBFI-GJZGRUSLSA-N 1 3 347.553 3.939 20 0 EHADHO COc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422778693 1027932512 /nfs/dbraw/zinc/93/25/12/1027932512.db2.gz HYYDVZJPWRVGFN-PAXLWEDBSA-N 1 3 338.451 3.602 20 0 EHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422777429 1027933584 /nfs/dbraw/zinc/93/35/84/1027933584.db2.gz FVZVFXWDAGFETG-CZUORRHYSA-N 1 3 337.305 3.588 20 0 EHADHO CO[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000422792773 1027966009 /nfs/dbraw/zinc/96/60/09/1027966009.db2.gz WKWGMSVOSKBAQD-SGTLLEGYSA-N 1 3 333.863 3.540 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422835940 1027976741 /nfs/dbraw/zinc/97/67/41/1027976741.db2.gz ZKTBXFWNEIRHDZ-VQIMIIECSA-N 1 3 334.467 3.503 20 0 EHADHO Cc1ccc2nccc(NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)c2c1 ZINC000425244364 1027979434 /nfs/dbraw/zinc/97/94/34/1027979434.db2.gz UXEWZCOMABYHLT-KRWDZBQOSA-N 1 3 346.478 3.998 20 0 EHADHO CCc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000422853152 1027991936 /nfs/dbraw/zinc/99/19/36/1027991936.db2.gz BNZQEJULMVWIJF-MJGOQNOKSA-N 1 3 328.481 3.656 20 0 EHADHO CSc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422885123 1028020868 /nfs/dbraw/zinc/02/08/68/1028020868.db2.gz YCNUMXOOGVBBBG-QUCCMNQESA-N 1 3 340.492 3.754 20 0 EHADHO COc1cc(CN[C@@H](C)c2c[nH+]ccc2N)ccc1OC1CCCC1 ZINC000422942358 1028069174 /nfs/dbraw/zinc/06/91/74/1028069174.db2.gz PLOWGAVEDDMUFG-AWEZNQCLSA-N 1 3 341.455 3.675 20 0 EHADHO N[C@H]1C[C@@H]([NH2+]CCNc2cccc(Br)c2)c2ccccc21 ZINC000422962120 1028075305 /nfs/dbraw/zinc/07/53/05/1028075305.db2.gz DWLMDQFXHRRIKQ-DLBZAZTESA-N 1 3 346.272 3.595 20 0 EHADHO Cc1ccc(COc2ccc(C[C@@H](C)N[C@@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000422950647 1028087753 /nfs/dbraw/zinc/08/77/53/1028087753.db2.gz YTDXGUQROBNQBQ-MSOLQXFVSA-N 1 3 338.495 3.703 20 0 EHADHO Cc1cc(Br)ccc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422954158 1028090613 /nfs/dbraw/zinc/09/06/13/1028090613.db2.gz GZPNMKJPUJQXIE-GFCCVEGCSA-N 1 3 348.288 3.770 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOc1cccc2cccnc21 ZINC000422956864 1028094473 /nfs/dbraw/zinc/09/44/73/1028094473.db2.gz RCDVWBXGSVGKDQ-YLJYHZDGSA-N 1 3 349.478 3.552 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])s2)cc1 ZINC000422984464 1028110249 /nfs/dbraw/zinc/11/02/49/1028110249.db2.gz XVZIMKBRPDIWBF-AGIUHOORSA-N 1 3 333.501 3.904 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024203 1028132309 /nfs/dbraw/zinc/13/23/09/1028132309.db2.gz LHOYZSSTIGVUTP-ZDUSSCGKSA-N 1 3 329.875 3.885 20 0 EHADHO CC[C@H](CC(F)(F)F)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039750 1028146948 /nfs/dbraw/zinc/14/69/48/1028146948.db2.gz RLBILDGVQBJBHN-INWMFGNUSA-N 1 3 328.378 3.563 20 0 EHADHO Cc1ccc(Br)cc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423061735 1028156093 /nfs/dbraw/zinc/15/60/93/1028156093.db2.gz RMQMTAPDSNMHLK-LBPRGKRZSA-N 1 3 348.288 3.770 20 0 EHADHO COc1cc(C)c(C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1OC ZINC000502472026 1028230850 /nfs/dbraw/zinc/23/08/50/1028230850.db2.gz LGKKYOHPXUXKAO-MSOLQXFVSA-N 1 3 348.531 3.797 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1OC ZINC000502472031 1028231991 /nfs/dbraw/zinc/23/19/91/1028231991.db2.gz LGKKYOHPXUXKAO-ZWKOTPCHSA-N 1 3 348.531 3.797 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000423181449 1028250180 /nfs/dbraw/zinc/25/01/80/1028250180.db2.gz CVUCALWMAVETSZ-CQSZACIVSA-N 1 3 337.389 3.931 20 0 EHADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCC(C)(C)[NH3+])nc1 ZINC000423281807 1028322523 /nfs/dbraw/zinc/32/25/23/1028322523.db2.gz BVQXFIYQHYSRSH-IBGZPJMESA-N 1 3 345.918 3.778 20 0 EHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000504024036 1028325838 /nfs/dbraw/zinc/32/58/38/1028325838.db2.gz IZHBUYIZVASNPM-FQEVSTJZSA-N 1 3 343.515 3.876 20 0 EHADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(N)CCC1 ZINC000423317165 1028345448 /nfs/dbraw/zinc/34/54/48/1028345448.db2.gz CLKYXUGXHGEYHM-YGRLFVJLSA-N 1 3 341.318 3.703 20 0 EHADHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCC1 ZINC000423317622 1028346944 /nfs/dbraw/zinc/34/69/44/1028346944.db2.gz CPQSHKBYVAWXSG-CQSZACIVSA-N 1 3 331.460 3.798 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2(N)CCC2)CCC3)cc1 ZINC000423321013 1028350906 /nfs/dbraw/zinc/35/09/06/1028350906.db2.gz HAIQAVQYMFCAQY-HNNXBMFYSA-N 1 3 343.496 3.667 20 0 EHADHO CCOc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1OCC ZINC000423358879 1028386500 /nfs/dbraw/zinc/38/65/00/1028386500.db2.gz OENFTSITVISHDP-OAHLLOKOSA-N 1 3 340.467 3.938 20 0 EHADHO CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647774 1028530880 /nfs/dbraw/zinc/53/08/80/1028530880.db2.gz OWZCLXRIOIPMCW-PCCBWWKXSA-N 1 3 342.527 3.788 20 0 EHADHO CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)C1 ZINC001167647774 1028530892 /nfs/dbraw/zinc/53/08/92/1028530892.db2.gz OWZCLXRIOIPMCW-PCCBWWKXSA-N 1 3 342.527 3.788 20 0 EHADHO C[C@@H]1C[C@@H](CN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC[NH2+]1 ZINC000414754155 1028549864 /nfs/dbraw/zinc/54/98/64/1028549864.db2.gz NJKBVUWAULEAEJ-IGCXYCKISA-N 1 3 332.879 3.741 20 0 EHADHO CC1(C(=O)Nc2ccc3c(c2)CNC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423701227 1028568368 /nfs/dbraw/zinc/56/83/68/1028568368.db2.gz VFELBNLVLRCPMI-UHFFFAOYSA-N 1 3 349.478 3.531 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000246833297 1028699096 /nfs/dbraw/zinc/69/90/96/1028699096.db2.gz AOZZMJLYHSUHKC-FGTMMUONSA-N 1 3 341.499 3.775 20 0 EHADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000246944047 1028714443 /nfs/dbraw/zinc/71/44/43/1028714443.db2.gz HUYWRCKXSOTXNA-KKXDTOCCSA-N 1 3 338.442 3.985 20 0 EHADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000246944047 1028714462 /nfs/dbraw/zinc/71/44/62/1028714462.db2.gz HUYWRCKXSOTXNA-KKXDTOCCSA-N 1 3 338.442 3.985 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000247980312 1028835403 /nfs/dbraw/zinc/83/54/03/1028835403.db2.gz IHFLPQOGVOLRKY-NEYJZJCJSA-N 1 3 329.532 3.530 20 0 EHADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424283283 1028954861 /nfs/dbraw/zinc/95/48/61/1028954861.db2.gz BEWSNXUXHHYABM-CQSZACIVSA-N 1 3 345.487 3.913 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414806396 1029238361 /nfs/dbraw/zinc/23/83/61/1029238361.db2.gz QDHHIHVECSHYCN-KMFMINBZSA-N 1 3 326.431 3.716 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414806398 1029238772 /nfs/dbraw/zinc/23/87/72/1029238772.db2.gz QDHHIHVECSHYCN-UKPHBRMFSA-N 1 3 326.431 3.716 20 0 EHADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414809529 1029261748 /nfs/dbraw/zinc/26/17/48/1029261748.db2.gz GVBQYTWADHAYOD-CHWSQXEVSA-N 1 3 345.409 3.530 20 0 EHADHO CCCC[C@H](C[NH3+])NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414814462 1029335743 /nfs/dbraw/zinc/33/57/43/1029335743.db2.gz NTHWGFIZQSZBFW-OAHLLOKOSA-N 1 3 341.902 3.551 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000414851030 1029550178 /nfs/dbraw/zinc/55/01/78/1029550178.db2.gz OIMQSXODAWWEJL-QFBILLFUSA-N 1 3 331.504 3.518 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000513901030 1029570444 /nfs/dbraw/zinc/57/04/44/1029570444.db2.gz KWWSMSYZTUPBRC-JZXOWHBKSA-N 1 3 344.490 3.633 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338222 1029814625 /nfs/dbraw/zinc/81/46/25/1029814625.db2.gz ORJMJZTUWIGRGI-AVRDEDQJSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338222 1029814632 /nfs/dbraw/zinc/81/46/32/1029814632.db2.gz ORJMJZTUWIGRGI-AVRDEDQJSA-N 1 3 338.495 3.976 20 0 EHADHO c1ccc([C@H](CC2CC2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000531969546 1030173966 /nfs/dbraw/zinc/17/39/66/1030173966.db2.gz KZUWTWKCQVKSLK-RXVVDRJESA-N 1 3 328.500 3.618 20 0 EHADHO Fc1cccc(CC2CCN([C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1F ZINC000453362281 1030176066 /nfs/dbraw/zinc/17/60/66/1030176066.db2.gz NTMALFDZHNPFOW-QZTJIDSGSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1cccc(CC2CCN([C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1F ZINC000453362281 1030176077 /nfs/dbraw/zinc/17/60/77/1030176077.db2.gz NTMALFDZHNPFOW-QZTJIDSGSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598345 1030335582 /nfs/dbraw/zinc/33/55/82/1030335582.db2.gz HSOXCXORRROGFV-LLLHUVSDSA-N 1 3 326.406 3.970 20 0 EHADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000447598345 1030335595 /nfs/dbraw/zinc/33/55/95/1030335595.db2.gz HSOXCXORRROGFV-LLLHUVSDSA-N 1 3 326.406 3.970 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482461425 1030447463 /nfs/dbraw/zinc/44/74/63/1030447463.db2.gz RUEWVTNANIWAAW-AVRDEDQJSA-N 1 3 338.470 3.967 20 0 EHADHO [NH3+]CC1(CCN[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000650745697 1030529293 /nfs/dbraw/zinc/52/92/93/1030529293.db2.gz LYBSAVPESPPIRK-MRXNPFEDSA-N 1 3 349.272 3.850 20 0 EHADHO CC(C)(C)n1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000093769370 1030672320 /nfs/dbraw/zinc/67/23/20/1030672320.db2.gz LJNHVTQDKUYVTH-UHFFFAOYSA-N 1 3 332.536 3.726 20 0 EHADHO CC1CC[NH+](CCCCNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194240163 1030753596 /nfs/dbraw/zinc/75/35/96/1030753596.db2.gz JIPXPWNPSNYVCS-UHFFFAOYSA-N 1 3 326.488 3.678 20 0 EHADHO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000482954700 1030847886 /nfs/dbraw/zinc/84/78/86/1030847886.db2.gz XWVQXWQRXVNOMG-NNWRFLSQSA-N 1 3 343.559 3.751 20 0 EHADHO Clc1ccc(OC2CCCC2)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952331 1030855953 /nfs/dbraw/zinc/85/59/53/1030855953.db2.gz RRDFBSZUAQIOJS-GOSISDBHSA-N 1 3 334.891 3.893 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070573 1030940358 /nfs/dbraw/zinc/94/03/58/1030940358.db2.gz GLJVKHQDGFIVKB-BLLLJJGKSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000483070573 1030940373 /nfs/dbraw/zinc/94/03/73/1030940373.db2.gz GLJVKHQDGFIVKB-BLLLJJGKSA-N 1 3 343.284 3.893 20 0 EHADHO C[NH+](C)CC1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483178953 1031014269 /nfs/dbraw/zinc/01/42/69/1031014269.db2.gz SFDXRRKHUAKDGU-UHFFFAOYSA-N 1 3 334.410 3.998 20 0 EHADHO c1ccc(CN2CCC([NH2+]C[C@H]3CCN3C3CCCCC3)CC2)cc1 ZINC000527751075 1031205764 /nfs/dbraw/zinc/20/57/64/1031205764.db2.gz GOQVRBMVUJCQQV-JOCHJYFZSA-N 1 3 341.543 3.648 20 0 EHADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527861938 1031342874 /nfs/dbraw/zinc/34/28/74/1031342874.db2.gz DUIVSMIFYQJXQN-KRWDZBQOSA-N 1 3 340.515 3.860 20 0 EHADHO Clc1ccccc1CN1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995252 1031446447 /nfs/dbraw/zinc/44/64/47/1031446447.db2.gz IGIJUBFRWFQKTB-GOSISDBHSA-N 1 3 347.934 3.569 20 0 EHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(C)C)CC1)CCC2 ZINC000594491102 1033394462 /nfs/dbraw/zinc/39/44/62/1033394462.db2.gz VWWCPRNQKXTMDU-HXUWFJFHSA-N 1 3 344.499 3.561 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cn(C)nc2C2CC2)CC1)CC1CC1 ZINC000892403897 1033528497 /nfs/dbraw/zinc/52/84/97/1033528497.db2.gz TZGARGVKBNIJKJ-UHFFFAOYSA-N 1 3 344.547 3.632 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cn(C)nc2C2CC2)CC1)CC1CC1 ZINC000892403897 1033528505 /nfs/dbraw/zinc/52/85/05/1033528505.db2.gz TZGARGVKBNIJKJ-UHFFFAOYSA-N 1 3 344.547 3.632 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007935 1033709805 /nfs/dbraw/zinc/70/98/05/1033709805.db2.gz FYCNIJLSNSZWFC-KRWDZBQOSA-N 1 3 346.519 3.524 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000046007935 1033709824 /nfs/dbraw/zinc/70/98/24/1033709824.db2.gz FYCNIJLSNSZWFC-KRWDZBQOSA-N 1 3 346.519 3.524 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145215 1033992189 /nfs/dbraw/zinc/99/21/89/1033992189.db2.gz QGFWEJCNVPHLAW-FOIQADDNSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145215 1033992202 /nfs/dbraw/zinc/99/22/02/1033992202.db2.gz QGFWEJCNVPHLAW-FOIQADDNSA-N 1 3 344.886 3.757 20 0 EHADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000658165778 1034028225 /nfs/dbraw/zinc/02/82/25/1034028225.db2.gz LSXCBZRMJPIXOB-OAQYLSRUSA-N 1 3 338.499 3.820 20 0 EHADHO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658236624 1034102040 /nfs/dbraw/zinc/10/20/40/1034102040.db2.gz KCOPZFHPWHSBGE-BPXKWBHBSA-N 1 3 336.479 3.880 20 0 EHADHO Cc1cc(CN(Cc2ccccc2)C2CCC([NH+](C)C)CC2)on1 ZINC001168326976 1034155675 /nfs/dbraw/zinc/15/56/75/1034155675.db2.gz GXYOAMNQGSHMTI-UHFFFAOYSA-N 1 3 327.472 3.858 20 0 EHADHO Cc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168379666 1035603141 /nfs/dbraw/zinc/60/31/41/1035603141.db2.gz NJWSWNYOQZGRTE-UHFFFAOYSA-N 1 3 328.500 3.713 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000414177093 1035911689 /nfs/dbraw/zinc/91/16/89/1035911689.db2.gz JNKUYDBYHVCYHB-ZIAGYGMSSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](O)CCc3ccccc3)CC2)C1 ZINC000542463581 1036476527 /nfs/dbraw/zinc/47/65/27/1036476527.db2.gz CBRUBKWZQNZDKN-COPCDDAFSA-N 1 3 344.543 3.613 20 0 EHADHO CCCn1nc(C)c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000192920037 1036553334 /nfs/dbraw/zinc/55/33/34/1036553334.db2.gz OUACQMXRKPXDTQ-HXUWFJFHSA-N 1 3 340.515 3.522 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769515 1036638473 /nfs/dbraw/zinc/63/84/73/1036638473.db2.gz IJJNPICHZFCQRU-SXLOBPIMSA-N 1 3 340.515 3.762 20 0 EHADHO CC[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000541769515 1036638484 /nfs/dbraw/zinc/63/84/84/1036638484.db2.gz IJJNPICHZFCQRU-SXLOBPIMSA-N 1 3 340.515 3.762 20 0 EHADHO C[N@H+](CCOc1ccccc1F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464842313 1036882881 /nfs/dbraw/zinc/88/28/81/1036882881.db2.gz GFHGYOXCIZPTIL-LJQANCHMSA-N 1 3 342.458 3.658 20 0 EHADHO C[N@@H+](CCOc1ccccc1F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464842313 1036882892 /nfs/dbraw/zinc/88/28/92/1036882892.db2.gz GFHGYOXCIZPTIL-LJQANCHMSA-N 1 3 342.458 3.658 20 0 EHADHO CC[C@@H](C)CN(C)c1ccc(F)cc1CNCC1=CC[N@H+](C)CC1 ZINC000539544525 1036896945 /nfs/dbraw/zinc/89/69/45/1036896945.db2.gz HNKBBWPRNKHGQX-MRXNPFEDSA-N 1 3 333.495 3.660 20 0 EHADHO CC[C@@H](C)CN(C)c1ccc(F)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000539544525 1036896972 /nfs/dbraw/zinc/89/69/72/1036896972.db2.gz HNKBBWPRNKHGQX-MRXNPFEDSA-N 1 3 333.495 3.660 20 0 EHADHO CC(C)(C)OC(=O)CCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000178120119 1036998672 /nfs/dbraw/zinc/99/86/72/1036998672.db2.gz QMTMWJHEXOFRSU-UHFFFAOYSA-N 1 3 326.525 3.741 20 0 EHADHO CN1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000414370497 1037053381 /nfs/dbraw/zinc/05/33/81/1037053381.db2.gz WLDILIMVQRXTLX-YADHBBJMSA-N 1 3 341.543 3.819 20 0 EHADHO CC(C)(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532538690 1037569546 /nfs/dbraw/zinc/56/95/46/1037569546.db2.gz VMGOLUHDJXVZTK-VQTJNVASSA-N 1 3 330.516 3.788 20 0 EHADHO CC(C)(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532538690 1037569560 /nfs/dbraw/zinc/56/95/60/1037569560.db2.gz VMGOLUHDJXVZTK-VQTJNVASSA-N 1 3 330.516 3.788 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000540161211 1037619960 /nfs/dbraw/zinc/61/99/60/1037619960.db2.gz PMFOKCBTSXUMJY-JBBXEZCESA-N 1 3 340.870 3.508 20 0 EHADHO COC[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942431 1037736153 /nfs/dbraw/zinc/73/61/53/1037736153.db2.gz ANCYQIKHGMHRPM-IRXDYDNUSA-N 1 3 326.912 3.984 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCCC[C@@H]1C ZINC000463143619 1037791365 /nfs/dbraw/zinc/79/13/65/1037791365.db2.gz IGLVBKITZBWPMC-CUXKYVRBSA-N 1 3 343.559 3.892 20 0 EHADHO COCCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183133721 1037933610 /nfs/dbraw/zinc/93/36/10/1037933610.db2.gz GLLBLDCFRLMPGV-PCCBWWKXSA-N 1 3 330.516 3.693 20 0 EHADHO CSc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000549400222 1038166973 /nfs/dbraw/zinc/16/69/73/1038166973.db2.gz PWRVROUTEWLKCI-IRXDYDNUSA-N 1 3 348.556 3.730 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000539070324 1038670312 /nfs/dbraw/zinc/67/03/12/1038670312.db2.gz JWAJZFXRJYAWRF-KSZLIROESA-N 1 3 330.516 3.715 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000539070326 1038670641 /nfs/dbraw/zinc/67/06/41/1038670641.db2.gz JWAJZFXRJYAWRF-KZNAEPCWSA-N 1 3 330.516 3.715 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000549686833 1039680960 /nfs/dbraw/zinc/68/09/60/1039680960.db2.gz CIVHQEOPJTVPOK-GBESFXJTSA-N 1 3 338.536 3.743 20 0 EHADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000584780713 1039813105 /nfs/dbraw/zinc/81/31/05/1039813105.db2.gz HVTDLIMWBJZRTR-OAHLLOKOSA-N 1 3 329.488 3.530 20 0 EHADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000584780713 1039813125 /nfs/dbraw/zinc/81/31/25/1039813125.db2.gz HVTDLIMWBJZRTR-OAHLLOKOSA-N 1 3 329.488 3.530 20 0 EHADHO Cc1noc2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc12 ZINC000894072823 1040047051 /nfs/dbraw/zinc/04/70/51/1040047051.db2.gz QZBFNUXKPWUEJB-UHFFFAOYSA-N 1 3 342.487 3.619 20 0 EHADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512649933 1040395515 /nfs/dbraw/zinc/39/55/15/1040395515.db2.gz VPSYSIBHWDSMAQ-QHAWAJNXSA-N 1 3 330.516 3.692 20 0 EHADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549867957 1040456802 /nfs/dbraw/zinc/45/68/02/1040456802.db2.gz KJZCXMIMPJDZTN-HLAWJBBLSA-N 1 3 342.527 3.693 20 0 EHADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500104829 1040515662 /nfs/dbraw/zinc/51/56/62/1040515662.db2.gz QKASALIBXSBZMR-JOCHJYFZSA-N 1 3 345.575 3.664 20 0 EHADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500104829 1040515681 /nfs/dbraw/zinc/51/56/81/1040515681.db2.gz QKASALIBXSBZMR-JOCHJYFZSA-N 1 3 345.575 3.664 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(CO)CC4(CCC4)C3)CC2)C1 ZINC000433055753 1040558192 /nfs/dbraw/zinc/55/81/92/1040558192.db2.gz BTWMYDSLCMVDBM-IEBWSBKVSA-N 1 3 334.548 3.562 20 0 EHADHO C[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CCCCC1 ZINC000555423712 1040561428 /nfs/dbraw/zinc/56/14/28/1040561428.db2.gz PAQAWNDRPRXEST-LJQANCHMSA-N 1 3 335.580 3.552 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000481711140 1041289610 /nfs/dbraw/zinc/28/96/10/1041289610.db2.gz DPCBQLQGLGKXSV-JKIFEVAISA-N 1 3 339.321 3.884 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000481711140 1041289621 /nfs/dbraw/zinc/28/96/21/1041289621.db2.gz DPCBQLQGLGKXSV-JKIFEVAISA-N 1 3 339.321 3.884 20 0 EHADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000481723832 1041298637 /nfs/dbraw/zinc/29/86/37/1041298637.db2.gz BJHZCMJBUNVOGQ-QGZVFWFLSA-N 1 3 338.495 3.967 20 0 EHADHO c1csc(CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662249098 1042633175 /nfs/dbraw/zinc/63/31/75/1042633175.db2.gz OWRWWCOVMSDRDE-GOSISDBHSA-N 1 3 342.508 3.575 20 0 EHADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000278864957 1042748529 /nfs/dbraw/zinc/74/85/29/1042748529.db2.gz WOPLCMMAZFVVLN-FNAHDJPLSA-N 1 3 342.527 3.838 20 0 EHADHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000925780777 1042930445 /nfs/dbraw/zinc/93/04/45/1042930445.db2.gz GPKKPOAPNSLKLP-MFKMUULPSA-N 1 3 332.847 3.711 20 0 EHADHO Cc1cc([C@@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)ccc1F ZINC000432427105 1043182279 /nfs/dbraw/zinc/18/22/79/1043182279.db2.gz XINQTLIAKUDELX-JXFKEZNVSA-N 1 3 334.479 3.676 20 0 EHADHO Cc1cc([C@@H](NCCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)ccc1F ZINC000432427105 1043182287 /nfs/dbraw/zinc/18/22/87/1043182287.db2.gz XINQTLIAKUDELX-JXFKEZNVSA-N 1 3 334.479 3.676 20 0 EHADHO CCn1nc(C)c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000307968372 1125677394 /nfs/dbraw/zinc/67/73/94/1125677394.db2.gz VTPDVWRAMVKBRA-UZLBHIALSA-N 1 3 340.515 3.520 20 0 EHADHO C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173974330 1126844494 /nfs/dbraw/zinc/84/44/94/1126844494.db2.gz CNRCCYGOOBMIBU-HXUWFJFHSA-N 1 3 336.479 3.575 20 0 EHADHO C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173974330 1126844498 /nfs/dbraw/zinc/84/44/98/1126844498.db2.gz CNRCCYGOOBMIBU-HXUWFJFHSA-N 1 3 336.479 3.575 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1(C)C ZINC000623371158 1126932696 /nfs/dbraw/zinc/93/26/96/1126932696.db2.gz RQOWQZUUVVSHAZ-CQSZACIVSA-N 1 3 329.257 3.551 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623374975 1126938380 /nfs/dbraw/zinc/93/83/80/1126938380.db2.gz XQIHKVPDSXQYPB-UONOGXRCSA-N 1 3 344.421 3.935 20 0 EHADHO C[C@@H](COc1ccccc1C(F)(F)F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623374975 1126938382 /nfs/dbraw/zinc/93/83/82/1126938382.db2.gz XQIHKVPDSXQYPB-UONOGXRCSA-N 1 3 344.421 3.935 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3CC[N@@H+](C)C(C)(C)C3)co2)cc1 ZINC000623394595 1126943366 /nfs/dbraw/zinc/94/33/66/1126943366.db2.gz LCPQFMQCAGZDNC-QGZVFWFLSA-N 1 3 327.472 3.655 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@@H]3CC[N@H+](C)C(C)(C)C3)co2)cc1 ZINC000623394595 1126943368 /nfs/dbraw/zinc/94/33/68/1126943368.db2.gz LCPQFMQCAGZDNC-QGZVFWFLSA-N 1 3 327.472 3.655 20 0 EHADHO Brc1sccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000623575303 1126989795 /nfs/dbraw/zinc/98/97/95/1126989795.db2.gz UVZDEGFHRYWMRQ-UHFFFAOYSA-N 1 3 343.334 3.722 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000623639225 1126999073 /nfs/dbraw/zinc/99/90/73/1126999073.db2.gz HVKZGRROODOCOV-OAQYLSRUSA-N 1 3 339.483 3.653 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000623890067 1127211501 /nfs/dbraw/zinc/21/15/01/1127211501.db2.gz BCSHWXHMKIKIFU-ZIAGYGMSSA-N 1 3 325.294 3.750 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000623890067 1127211503 /nfs/dbraw/zinc/21/15/03/1127211503.db2.gz BCSHWXHMKIKIFU-ZIAGYGMSSA-N 1 3 325.294 3.750 20 0 EHADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)CC1(C)C ZINC000623941344 1127219414 /nfs/dbraw/zinc/21/94/14/1127219414.db2.gz PACVSDUCVFLIAR-SFHVURJKSA-N 1 3 333.545 3.520 20 0 EHADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCSCC3)c2)CC1(C)C ZINC000623941344 1127219415 /nfs/dbraw/zinc/21/94/15/1127219415.db2.gz PACVSDUCVFLIAR-SFHVURJKSA-N 1 3 333.545 3.520 20 0 EHADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624124217 1127257524 /nfs/dbraw/zinc/25/75/24/1127257524.db2.gz ZYUGVVNMAAHMAR-GOEBONIOSA-N 1 3 339.321 3.702 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120494 1127255794 /nfs/dbraw/zinc/25/57/94/1127255794.db2.gz AGXSHYXNNPKQBN-GOEBONIOSA-N 1 3 344.528 3.896 20 0 EHADHO C[C@H](CC1CCCCC1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183331705 1127372816 /nfs/dbraw/zinc/37/28/16/1127372816.db2.gz DIRNQWIEKIQOMB-TZIWHRDSSA-N 1 3 335.580 3.695 20 0 EHADHO C[C@H](CC1CCCCC1)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183331705 1127372820 /nfs/dbraw/zinc/37/28/20/1127372820.db2.gz DIRNQWIEKIQOMB-TZIWHRDSSA-N 1 3 335.580 3.695 20 0 EHADHO COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1F ZINC000185288316 1127423564 /nfs/dbraw/zinc/42/35/64/1127423564.db2.gz GNTODUINTLKTBM-FUHWJXTLSA-N 1 3 336.495 3.723 20 0 EHADHO Clc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166278347 1128132786 /nfs/dbraw/zinc/13/27/86/1128132786.db2.gz HFLXCOHBGJCAHA-RTBURBONSA-N 1 3 348.918 3.605 20 0 EHADHO Clc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166278347 1128132787 /nfs/dbraw/zinc/13/27/87/1128132787.db2.gz HFLXCOHBGJCAHA-RTBURBONSA-N 1 3 348.918 3.605 20 0 EHADHO COc1ccc2c(c1Cl)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000903066403 1128455062 /nfs/dbraw/zinc/45/50/62/1128455062.db2.gz MDYXEZMDZIPCES-XJKSGUPXSA-N 1 3 334.891 3.800 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000542689305 1128538881 /nfs/dbraw/zinc/53/88/81/1128538881.db2.gz XFFDTQLERHGZTH-LJQANCHMSA-N 1 3 335.580 3.552 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC001648814380 1120046950 /nfs/dbraw/zinc/04/69/50/1120046950.db2.gz KKICHGYNLBZVMP-KNQAVFIVSA-N 1 3 343.559 3.740 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000191231619 1120665397 /nfs/dbraw/zinc/66/53/97/1120665397.db2.gz URJXEBPKXDXIHM-MJBXVCDLSA-N 1 3 330.925 3.942 20 0 EHADHO C[NH+]1CCC(C)(CNCc2cc(Br)ccc2Cl)CC1 ZINC000227328431 1120875363 /nfs/dbraw/zinc/87/53/63/1120875363.db2.gz LPLQRKNRUNJKTK-UHFFFAOYSA-N 1 3 345.712 3.924 20 0 EHADHO C[C@H]1CCC[N@H+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891875 1120893786 /nfs/dbraw/zinc/89/37/86/1120893786.db2.gz QXAIIFJQIDRGBY-WMZOPIPTSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@H]1CCC[N@@H+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891875 1120893790 /nfs/dbraw/zinc/89/37/90/1120893790.db2.gz QXAIIFJQIDRGBY-WMZOPIPTSA-N 1 3 333.524 3.528 20 0 EHADHO CN(C)C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000193413155 1121257971 /nfs/dbraw/zinc/25/79/71/1121257971.db2.gz HODWORNPROZSIB-UHFFFAOYSA-N 1 3 344.421 3.890 20 0 EHADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)CN1CCCC1 ZINC000235134557 1121383627 /nfs/dbraw/zinc/38/36/27/1121383627.db2.gz UEMBYCFCVFGQCE-GJZGRUSLSA-N 1 3 339.321 3.702 20 0 EHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650376 1121396969 /nfs/dbraw/zinc/39/69/69/1121396969.db2.gz QJOIKKCCQFPCHR-XLIONFOSSA-N 1 3 346.515 3.553 20 0 EHADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650376 1121396978 /nfs/dbraw/zinc/39/69/78/1121396978.db2.gz QJOIKKCCQFPCHR-XLIONFOSSA-N 1 3 346.515 3.553 20 0 EHADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000316655433 1121595826 /nfs/dbraw/zinc/59/58/26/1121595826.db2.gz RNXUEFPXFVWZLL-AWEZNQCLSA-N 1 3 346.302 3.627 20 0 EHADHO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCN1CCCCC1 ZINC000496968465 1122221825 /nfs/dbraw/zinc/22/18/25/1122221825.db2.gz MRVUYBIPROJLCM-KRWDZBQOSA-N 1 3 345.487 3.512 20 0 EHADHO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCN1CCCCC1 ZINC000496968465 1122221829 /nfs/dbraw/zinc/22/18/29/1122221829.db2.gz MRVUYBIPROJLCM-KRWDZBQOSA-N 1 3 345.487 3.512 20 0 EHADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000556886389 1123166788 /nfs/dbraw/zinc/16/67/88/1123166788.db2.gz LYZZOCBJGSEHSF-MSEOUXRUSA-N 1 3 342.527 3.834 20 0 EHADHO CN(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000499154395 1123253657 /nfs/dbraw/zinc/25/36/57/1123253657.db2.gz DCLZDZXHDPETGG-UADZTWIMSA-N 1 3 349.522 3.908 20 0 EHADHO CN(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499154395 1123253659 /nfs/dbraw/zinc/25/36/59/1123253659.db2.gz DCLZDZXHDPETGG-UADZTWIMSA-N 1 3 349.522 3.908 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cc(C)nc(C)n2)CC1)CC(C)C ZINC000660171170 1124001147 /nfs/dbraw/zinc/00/11/47/1124001147.db2.gz JAOURJPIOHTPRD-UHFFFAOYSA-N 1 3 332.536 3.673 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cc(C)nc(C)n2)CC1)CC(C)C ZINC000660171170 1124001153 /nfs/dbraw/zinc/00/11/53/1124001153.db2.gz JAOURJPIOHTPRD-UHFFFAOYSA-N 1 3 332.536 3.673 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115691 1124025825 /nfs/dbraw/zinc/02/58/25/1124025825.db2.gz QDSXJNHCMCRCHI-DYVFJYSZSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115691 1124025829 /nfs/dbraw/zinc/02/58/29/1124025829.db2.gz QDSXJNHCMCRCHI-DYVFJYSZSA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246115691 1124025835 /nfs/dbraw/zinc/02/58/35/1124025835.db2.gz QDSXJNHCMCRCHI-DYVFJYSZSA-N 1 3 337.305 3.832 20 0 EHADHO CCC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccsc1 ZINC000249140614 1124741880 /nfs/dbraw/zinc/74/18/80/1124741880.db2.gz XRTKAXZFSMVNRX-WOJBJXKFSA-N 1 3 344.524 3.946 20 0 EHADHO CCC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccsc1 ZINC000249140614 1124741884 /nfs/dbraw/zinc/74/18/84/1124741884.db2.gz XRTKAXZFSMVNRX-WOJBJXKFSA-N 1 3 344.524 3.946 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000249587621 1124767143 /nfs/dbraw/zinc/76/71/43/1124767143.db2.gz OPQBUUHONUGWHP-ZYSHUDEJSA-N 1 3 348.556 3.827 20 0 EHADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285534 1124973636 /nfs/dbraw/zinc/97/36/36/1124973636.db2.gz FAQZQKZJWONWNG-UTKZUKDTSA-N 1 3 347.522 3.673 20 0 EHADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000091338595 1124977056 /nfs/dbraw/zinc/97/70/56/1124977056.db2.gz WGTRBKRTDUQQJO-QGZVFWFLSA-N 1 3 328.504 3.880 20 0 EHADHO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182683078 1125353581 /nfs/dbraw/zinc/35/35/81/1125353581.db2.gz FSSVQPNLJMBUBC-KRWDZBQOSA-N 1 3 348.531 3.883 20 0 EHADHO [NH3+]CC1CCN(Cc2ccc3ccccc3c2Br)CC1 ZINC001205047238 1129423339 /nfs/dbraw/zinc/42/33/39/1129423339.db2.gz RYJRCHYLYAMULV-UHFFFAOYSA-N 1 3 333.273 3.773 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NCc1ccc(C[NH+](C)C)cc1)CC2 ZINC000358925432 1129428225 /nfs/dbraw/zinc/42/82/25/1129428225.db2.gz FBYUISNMYSEUNF-IBGZPJMESA-N 1 3 340.467 3.543 20 0 EHADHO FC(F)(F)[C@H]1CC[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000922675516 1129624187 /nfs/dbraw/zinc/62/41/87/1129624187.db2.gz DJVZLMBDFJNZPZ-IAGOWNOFSA-N 1 3 348.453 3.873 20 0 EHADHO CC1CC[NH+](CCC[C@H](NC/C=C\CO)c2ccc(F)cc2)CC1 ZINC000658138482 1130192153 /nfs/dbraw/zinc/19/21/53/1130192153.db2.gz MHZQFVAIOXKIJX-YNZYUUBUSA-N 1 3 334.479 3.517 20 0 EHADHO c1ccc(CN2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000674880057 1130214728 /nfs/dbraw/zinc/21/47/28/1130214728.db2.gz FQXUASXPPKFIDS-OAQYLSRUSA-N 1 3 341.543 3.648 20 0 EHADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658168758 1130227071 /nfs/dbraw/zinc/22/70/71/1130227071.db2.gz YLQYHFWWHSUNEN-LJQANCHMSA-N 1 3 342.462 3.569 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000675751953 1130465417 /nfs/dbraw/zinc/46/54/17/1130465417.db2.gz IQYRXUXTEZZRBY-ARFHVFGLSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000675751953 1130465420 /nfs/dbraw/zinc/46/54/20/1130465420.db2.gz IQYRXUXTEZZRBY-ARFHVFGLSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1cc(NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)nc(N)n1 ZINC000732049727 1130884059 /nfs/dbraw/zinc/88/40/59/1130884059.db2.gz BGZMZNYYXKWXOX-NVXWUHKLSA-N 1 3 327.476 3.545 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2nc(SC)ncc2Cl)CC1 ZINC001173108153 1131969324 /nfs/dbraw/zinc/96/93/24/1131969324.db2.gz YYKLPDCMLMSJSJ-UHFFFAOYSA-N 1 3 342.940 3.595 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001169094958 1132653567 /nfs/dbraw/zinc/65/35/67/1132653567.db2.gz NZNUPRIXUZRWLP-WKCHPHFGSA-N 1 3 334.463 3.632 20 0 EHADHO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1ccc([C@H](C)N)n1 ZINC001169234856 1132702946 /nfs/dbraw/zinc/70/29/46/1132702946.db2.gz LSUHZKLSZYTYSZ-LBPRGKRZSA-N 1 3 340.393 3.753 20 0 EHADHO CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897847 1133294335 /nfs/dbraw/zinc/29/43/35/1133294335.db2.gz ABAJMTDSEOMSFX-FUHWJXTLSA-N 1 3 348.531 3.786 20 0 EHADHO CC[N@H+]1CC[C@@H](N(C)CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001179897847 1133294338 /nfs/dbraw/zinc/29/43/38/1133294338.db2.gz ABAJMTDSEOMSFX-FUHWJXTLSA-N 1 3 348.531 3.786 20 0 EHADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(F)cc1 ZINC001180302555 1133353742 /nfs/dbraw/zinc/35/37/42/1133353742.db2.gz ZDXRUNLIDUAKQA-GPJFCIFZSA-N 1 3 334.479 3.900 20 0 EHADHO CC(C)(C)[C@@]1(C[NH2+]CCC2(CO)CC2)CCN(Cc2ccccc2)C1 ZINC001181796472 1133528656 /nfs/dbraw/zinc/52/86/56/1133528656.db2.gz MSCZVAKDXQJJDB-JOCHJYFZSA-N 1 3 344.543 3.677 20 0 EHADHO C[C@@H]1COCC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183931000 1133874312 /nfs/dbraw/zinc/87/43/12/1133874312.db2.gz YUWLRVIGDGOXKF-UGKGYDQZSA-N 1 3 344.543 3.893 20 0 EHADHO C[C@@H]1COCC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183931000 1133874319 /nfs/dbraw/zinc/87/43/19/1133874319.db2.gz YUWLRVIGDGOXKF-UGKGYDQZSA-N 1 3 344.543 3.893 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881067 1134098464 /nfs/dbraw/zinc/09/84/64/1134098464.db2.gz OSSDZCRPJVSWMV-NHCUHLMSSA-N 1 3 326.484 3.667 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881067 1134098471 /nfs/dbraw/zinc/09/84/71/1134098471.db2.gz OSSDZCRPJVSWMV-NHCUHLMSSA-N 1 3 326.484 3.667 20 0 EHADHO Cc1c(C[N@H+]2CCCC23CCN(C)CC3)sc2nc(C)nc(C)c12 ZINC000789558716 1134300676 /nfs/dbraw/zinc/30/06/76/1134300676.db2.gz APXZRUNNROOKAU-UHFFFAOYSA-N 1 3 344.528 3.677 20 0 EHADHO Cc1c(C[N@@H+]2CCCC23CCN(C)CC3)sc2nc(C)nc(C)c12 ZINC000789558716 1134300681 /nfs/dbraw/zinc/30/06/81/1134300681.db2.gz APXZRUNNROOKAU-UHFFFAOYSA-N 1 3 344.528 3.677 20 0 EHADHO Cc1c(CN2CCCC23CC[NH+](C)CC3)sc2nc(C)nc(C)c12 ZINC000789558716 1134300687 /nfs/dbraw/zinc/30/06/87/1134300687.db2.gz APXZRUNNROOKAU-UHFFFAOYSA-N 1 3 344.528 3.677 20 0 EHADHO Cc1ccc(Br)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205636840 1135151060 /nfs/dbraw/zinc/15/10/60/1135151060.db2.gz FNAGBLWOSDSQBL-AAEUAGOBSA-N 1 3 343.284 3.703 20 0 EHADHO CC1CC[NH+](CCCCNCc2ccnc(Cl)c2Cl)CC1 ZINC000811474954 1136096274 /nfs/dbraw/zinc/09/62/74/1136096274.db2.gz UNOPNQWVODRIMA-UHFFFAOYSA-N 1 3 330.303 3.990 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc2ccccc21 ZINC000854221188 1136599080 /nfs/dbraw/zinc/59/90/80/1136599080.db2.gz IKBHGTIURDFXSR-CIAFKFPVSA-N 1 3 338.495 3.774 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C2CC2)cc1CN1CCCCC1 ZINC000815651361 1136626047 /nfs/dbraw/zinc/62/60/47/1136626047.db2.gz QQFMOTLWOWPATD-IIBYNOLFSA-N 1 3 346.515 3.757 20 0 EHADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000173307183 1136726470 /nfs/dbraw/zinc/72/64/70/1136726470.db2.gz UHSQVJAJOWWMMM-OAHLLOKOSA-N 1 3 328.456 3.616 20 0 EHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000173329808 1136766524 /nfs/dbraw/zinc/76/65/24/1136766524.db2.gz ABYLRVJBYBCTDQ-CQSZACIVSA-N 1 3 334.410 3.756 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000856561203 1136795363 /nfs/dbraw/zinc/79/53/63/1136795363.db2.gz UGXXACQYUPMGMS-NRFANRHFSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCCCC3)C2)ccn1 ZINC000856561203 1136795365 /nfs/dbraw/zinc/79/53/65/1136795365.db2.gz UGXXACQYUPMGMS-NRFANRHFSA-N 1 3 345.531 3.955 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561474 1136795652 /nfs/dbraw/zinc/79/56/52/1136795652.db2.gz VRFQUTCSORFYJW-GHTZIAJQSA-N 1 3 343.515 3.731 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)ccn1 ZINC000856561474 1136795657 /nfs/dbraw/zinc/79/56/57/1136795657.db2.gz VRFQUTCSORFYJW-GHTZIAJQSA-N 1 3 343.515 3.731 20 0 EHADHO Cc1ccc(N2CCC[C@H](N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)cc1 ZINC000817897697 1136844022 /nfs/dbraw/zinc/84/40/22/1136844022.db2.gz VTKIHDXFPOQYLP-VCOUNFBDSA-N 1 3 337.511 3.512 20 0 EHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc(Br)cs1 ZINC000817947894 1136850000 /nfs/dbraw/zinc/85/00/00/1136850000.db2.gz DXTXXABVQRWZLW-LLVKDONJSA-N 1 3 339.302 3.863 20 0 EHADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000817949928 1136850618 /nfs/dbraw/zinc/85/06/18/1136850618.db2.gz UKXPSSXUOXPBLY-GOSISDBHSA-N 1 3 330.859 3.845 20 0 EHADHO CC[C@@H](C)c1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000818339902 1136871941 /nfs/dbraw/zinc/87/19/41/1136871941.db2.gz FXCABCIWUWMLPF-IAGOWNOFSA-N 1 3 343.515 3.603 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCN2CC(C)C)c1 ZINC001136174251 1136900958 /nfs/dbraw/zinc/90/09/58/1136900958.db2.gz GZDXIEYBCUCRJF-IBGZPJMESA-N 1 3 331.504 3.587 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000819283032 1136931280 /nfs/dbraw/zinc/93/12/80/1136931280.db2.gz FRDWUOXPCSBILS-YADHBBJMSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccc([C@H](O)CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819283032 1136931282 /nfs/dbraw/zinc/93/12/82/1136931282.db2.gz FRDWUOXPCSBILS-YADHBBJMSA-N 1 3 338.495 3.530 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccnc(CO)c2)cc1 ZINC000858350374 1136960656 /nfs/dbraw/zinc/96/06/56/1136960656.db2.gz UCLJTRXNXIZXSC-INIZCTEOSA-N 1 3 325.456 3.560 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccnc(CO)c2)cc1 ZINC000858350374 1136960657 /nfs/dbraw/zinc/96/06/57/1136960657.db2.gz UCLJTRXNXIZXSC-INIZCTEOSA-N 1 3 325.456 3.560 20 0 EHADHO Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]CCCN1CCCC1)C2 ZINC001171060360 1137144504 /nfs/dbraw/zinc/14/45/04/1137144504.db2.gz RLLBPBZNGIRFHV-HNNXBMFYSA-N 1 3 327.299 3.926 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3ccc(OC(F)(F)F)cc3F)C2)CC1 ZINC001143791634 1137200351 /nfs/dbraw/zinc/20/03/51/1137200351.db2.gz XPZYNOSPMTZVRC-UHFFFAOYSA-N 1 3 346.368 3.642 20 0 EHADHO FC(F)(F)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716626743 1137487907 /nfs/dbraw/zinc/48/79/07/1137487907.db2.gz QJMQNEKXBUJDHA-BBWFWOEESA-N 1 3 326.406 3.972 20 0 EHADHO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716635326 1137488116 /nfs/dbraw/zinc/48/81/16/1137488116.db2.gz FHQMEITZNRZDQH-MFKWGIFDSA-N 1 3 330.541 3.913 20 0 EHADHO COCCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716690725 1137488438 /nfs/dbraw/zinc/48/84/38/1137488438.db2.gz GMMCUINPYRUBBE-UFYCRDLUSA-N 1 3 330.516 3.692 20 0 EHADHO Cc1ncsc1CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693139 1137488444 /nfs/dbraw/zinc/48/84/44/1137488444.db2.gz NXKANFRIOIYAJF-FHWLQOOXSA-N 1 3 341.524 3.637 20 0 EHADHO Cc1cccc2c1CC[C@@H](N1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001171571117 1137498733 /nfs/dbraw/zinc/49/87/33/1137498733.db2.gz RPBMBWPGGRMZIX-HXUWFJFHSA-N 1 3 330.491 3.751 20 0 EHADHO CCOC(=O)C1(CC)CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171641337 1137504581 /nfs/dbraw/zinc/50/45/81/1137504581.db2.gz PCUOJZUSPCEAFM-UHFFFAOYSA-N 1 3 338.536 3.693 20 0 EHADHO CCOC(=O)C1(CC)CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641337 1137504582 /nfs/dbraw/zinc/50/45/82/1137504582.db2.gz PCUOJZUSPCEAFM-UHFFFAOYSA-N 1 3 338.536 3.693 20 0 EHADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001171790386 1137512626 /nfs/dbraw/zinc/51/26/26/1137512626.db2.gz KBTAQFKETGZSKJ-APWZRJJASA-N 1 3 328.475 3.703 20 0 EHADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001171790386 1137512627 /nfs/dbraw/zinc/51/26/27/1137512627.db2.gz KBTAQFKETGZSKJ-APWZRJJASA-N 1 3 328.475 3.703 20 0 EHADHO CC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171965837 1137520267 /nfs/dbraw/zinc/52/02/67/1137520267.db2.gz RTTNMVYLOKNZLA-OAQYLSRUSA-N 1 3 343.559 3.751 20 0 EHADHO CCC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969170 1137523460 /nfs/dbraw/zinc/52/34/60/1137523460.db2.gz ZORNABNZDZEWMD-DJIMGWMZSA-N 1 3 340.433 3.910 20 0 EHADHO CCCN1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969170 1137523462 /nfs/dbraw/zinc/52/34/62/1137523462.db2.gz ZORNABNZDZEWMD-DJIMGWMZSA-N 1 3 340.433 3.910 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC001172101659 1137532255 /nfs/dbraw/zinc/53/22/55/1137532255.db2.gz HFHOXIYRDVUTER-BJWYYQGGSA-N 1 3 327.497 3.915 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC001172107176 1137537383 /nfs/dbraw/zinc/53/73/83/1137537383.db2.gz UCLQJQSZPBBQLT-CNDDSTCGSA-N 1 3 329.307 3.616 20 0 EHADHO Clc1ccc(CN2CCC(C[NH2+]C3C[C@@H]4C=C[C@H](C3)O4)CC2)cc1 ZINC001172235473 1137543935 /nfs/dbraw/zinc/54/39/35/1137543935.db2.gz UJEWWLMKNQSRHT-IHWFROFDSA-N 1 3 346.902 3.628 20 0 EHADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172283760 1137547933 /nfs/dbraw/zinc/54/79/33/1137547933.db2.gz LDNJXFWTTGZDEF-SJLPKXTDSA-N 1 3 332.488 3.524 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)CCCCCC[NH3+] ZINC000873231319 1137594521 /nfs/dbraw/zinc/59/45/21/1137594521.db2.gz FUCKTLBXROFLCO-UHFFFAOYSA-N 1 3 332.467 3.579 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2ncccc12 ZINC000873282111 1137596293 /nfs/dbraw/zinc/59/62/93/1137596293.db2.gz BWQGRSOIVCLNRM-RBBKRZOGSA-N 1 3 345.446 3.580 20 0 EHADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000333211100 1137958296 /nfs/dbraw/zinc/95/82/96/1137958296.db2.gz ZROBXATVDVKKQK-SJLPKXTDSA-N 1 3 348.874 3.805 20 0 EHADHO Cc1cccc2nc(CNC3CCC(C)([NH+]4CCCC4)CC3)cn21 ZINC000886525893 1138089951 /nfs/dbraw/zinc/08/99/51/1138089951.db2.gz AQYNJQNABIYMEO-UHFFFAOYSA-N 1 3 326.488 3.529 20 0 EHADHO CC(C)C[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534134 1138091588 /nfs/dbraw/zinc/09/15/88/1138091588.db2.gz BJFDGBGYJFBYAY-MBDNFAEBSA-N 1 3 344.543 3.674 20 0 EHADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886623728 1138103353 /nfs/dbraw/zinc/10/33/53/1138103353.db2.gz MLBMBFIABNKSPL-HGJUEJDCSA-N 1 3 328.500 3.585 20 0 EHADHO CC1(C)C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886623290 1138103418 /nfs/dbraw/zinc/10/34/18/1138103418.db2.gz AEQRRNXPBMUYKK-TUFLPTIASA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H](O)[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1F ZINC000886631954 1138104193 /nfs/dbraw/zinc/10/41/93/1138104193.db2.gz ZSIHMXRRGXYORF-WUPNUQLISA-N 1 3 334.479 3.634 20 0 EHADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2ccccc2n1C ZINC000091286496 1138218236 /nfs/dbraw/zinc/21/82/36/1138218236.db2.gz SVTSTCZOIRSWSE-IRXDYDNUSA-N 1 3 328.504 3.736 20 0 EHADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccccc2n1C ZINC000091286496 1138218239 /nfs/dbraw/zinc/21/82/39/1138218239.db2.gz SVTSTCZOIRSWSE-IRXDYDNUSA-N 1 3 328.504 3.736 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OC(F)(F)F ZINC000152388501 1139087995 /nfs/dbraw/zinc/08/79/95/1139087995.db2.gz DUDLHODVNHBMSK-QWHCGFSZSA-N 1 3 328.378 3.720 20 0 EHADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000177280974 1139609507 /nfs/dbraw/zinc/60/95/07/1139609507.db2.gz XCPQDWORFRLHAC-QGZVFWFLSA-N 1 3 326.484 3.991 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnc2ccsc2c1 ZINC000178039445 1139664919 /nfs/dbraw/zinc/66/49/19/1139664919.db2.gz WEETWLUBVGOWBE-OAGGEKHMSA-N 1 3 347.528 3.836 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116464 1139671896 /nfs/dbraw/zinc/67/18/96/1139671896.db2.gz VIRVZZMITLEQJK-YADHBBJMSA-N 1 3 335.495 3.611 20 0 EHADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CCc4cccnc4)CC[C@@H]32)cc1 ZINC000178116464 1139671900 /nfs/dbraw/zinc/67/19/00/1139671900.db2.gz VIRVZZMITLEQJK-YADHBBJMSA-N 1 3 335.495 3.611 20 0 EHADHO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000178620184 1139708207 /nfs/dbraw/zinc/70/82/07/1139708207.db2.gz GFMVWYRJQYZISW-DNVCBOLYSA-N 1 3 343.540 3.975 20 0 EHADHO CCC[C@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000180075093 1139807790 /nfs/dbraw/zinc/80/77/90/1139807790.db2.gz LGFLCZGWZVDQPD-FGZHOGPDSA-N 1 3 343.559 3.672 20 0 EHADHO CCC[C@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000180075093 1139807795 /nfs/dbraw/zinc/80/77/95/1139807795.db2.gz LGFLCZGWZVDQPD-FGZHOGPDSA-N 1 3 343.559 3.672 20 0 EHADHO CCC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000187810219 1140272420 /nfs/dbraw/zinc/27/24/20/1140272420.db2.gz BNYVKORFUNQJSU-QGZVFWFLSA-N 1 3 333.501 3.715 20 0 EHADHO C[C@H]1COCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000192542238 1140537207 /nfs/dbraw/zinc/53/72/07/1140537207.db2.gz IQPARIZLDUUCCA-HNAYVOBHSA-N 1 3 336.907 3.567 20 0 EHADHO Cc1ccccc1C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192736415 1140548516 /nfs/dbraw/zinc/54/85/16/1140548516.db2.gz ORRXZWAXMFDSNG-UHFFFAOYSA-N 1 3 343.559 3.591 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000268764225 1140985968 /nfs/dbraw/zinc/98/59/68/1140985968.db2.gz IPCJRXOVHAJXFR-WOJBJXKFSA-N 1 3 347.934 3.521 20 0 EHADHO Clc1ccccc1CN1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000268764225 1140985972 /nfs/dbraw/zinc/98/59/72/1140985972.db2.gz IPCJRXOVHAJXFR-WOJBJXKFSA-N 1 3 347.934 3.521 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000268866561 1141012613 /nfs/dbraw/zinc/01/26/13/1141012613.db2.gz NVKLJADDDKOWMR-AVRDEDQJSA-N 1 3 341.543 3.504 20 0 EHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309514 1141204986 /nfs/dbraw/zinc/20/49/86/1141204986.db2.gz GUPXLKMNXCSFRO-KRWDZBQOSA-N 1 3 345.314 3.831 20 0 EHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000270309514 1141204992 /nfs/dbraw/zinc/20/49/92/1141204992.db2.gz GUPXLKMNXCSFRO-KRWDZBQOSA-N 1 3 345.314 3.831 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271544292 1141393482 /nfs/dbraw/zinc/39/34/82/1141393482.db2.gz TYCLUPQGFIEIIH-TTYHFUOFSA-N 1 3 328.500 3.511 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000339341654 1014237065 /nfs/dbraw/zinc/23/70/65/1014237065.db2.gz DOMMEUIPISNVKT-HXUWFJFHSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000339341654 1014237074 /nfs/dbraw/zinc/23/70/74/1014237074.db2.gz DOMMEUIPISNVKT-HXUWFJFHSA-N 1 3 344.886 3.505 20 0 EHADHO CN1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434904 1014433553 /nfs/dbraw/zinc/43/35/53/1014433553.db2.gz QDYIHFJILDHORK-LJQANCHMSA-N 1 3 329.875 3.806 20 0 EHADHO CN1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000339434904 1014433556 /nfs/dbraw/zinc/43/35/56/1014433556.db2.gz QDYIHFJILDHORK-LJQANCHMSA-N 1 3 329.875 3.806 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093168 1014989314 /nfs/dbraw/zinc/98/93/14/1014989314.db2.gz QEFCOJPUWURGBF-VNHYZAJKSA-N 1 3 330.394 3.761 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000154093168 1014989330 /nfs/dbraw/zinc/98/93/30/1014989330.db2.gz QEFCOJPUWURGBF-VNHYZAJKSA-N 1 3 330.394 3.761 20 0 EHADHO CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2NCc3ccccc32)c1 ZINC000659291568 1016466775 /nfs/dbraw/zinc/46/67/75/1016466775.db2.gz HQMCPYQNDIKMRQ-HXUWFJFHSA-N 1 3 337.467 3.702 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000121090274 1016792316 /nfs/dbraw/zinc/79/23/16/1016792316.db2.gz OILSFDXTXTXHRW-FQEVSTJZSA-N 1 3 346.421 3.682 20 0 EHADHO Cc1ccc([C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000538115840 1032154670 /nfs/dbraw/zinc/15/46/70/1032154670.db2.gz CJVGVTCRODHSJF-WFXMLNOXSA-N 1 3 330.516 3.925 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccnc3c(Br)cccc23)CC[N@@H+]1C ZINC000449175138 1032269177 /nfs/dbraw/zinc/26/91/77/1032269177.db2.gz QJMVUOXFDOJVMF-OCCSQVGLSA-N 1 3 348.288 3.570 20 0 EHADHO C[C@@H]1C[C@@H](NCc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175138 1032269187 /nfs/dbraw/zinc/26/91/87/1032269187.db2.gz QJMVUOXFDOJVMF-OCCSQVGLSA-N 1 3 348.288 3.570 20 0 EHADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536862882 1032362906 /nfs/dbraw/zinc/36/29/06/1032362906.db2.gz KZZUXDCFDRLVCJ-DICRZQGBSA-N 1 3 334.479 3.538 20 0 EHADHO Fc1cccc(CNCC2CC[NH+](C3CC3)CC2)c1Br ZINC000449284945 1032404742 /nfs/dbraw/zinc/40/47/42/1032404742.db2.gz CJTITUMBMMJRPY-UHFFFAOYSA-N 1 3 341.268 3.552 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC000375749264 1032546573 /nfs/dbraw/zinc/54/65/73/1032546573.db2.gz CNIGUVCJRHAGDB-DFNIBXOVSA-N 1 3 344.499 3.699 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1)C2 ZINC000375749264 1032546576 /nfs/dbraw/zinc/54/65/76/1032546576.db2.gz CNIGUVCJRHAGDB-DFNIBXOVSA-N 1 3 344.499 3.699 20 0 EHADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000602023477 1032596389 /nfs/dbraw/zinc/59/63/89/1032596389.db2.gz XSSNWLCYVANPGF-LZQZEXGQSA-N 1 3 344.499 3.536 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449486073 1032641915 /nfs/dbraw/zinc/64/19/15/1032641915.db2.gz SMJKMYOSEZVMKL-WIYYLYMNSA-N 1 3 329.532 3.955 20 0 EHADHO Cc1cccnc1CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449486335 1032642904 /nfs/dbraw/zinc/64/29/04/1032642904.db2.gz UCHDWZDPOMKTTG-QZNHQXDQSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000415076860 1017509485 /nfs/dbraw/zinc/50/94/85/1017509485.db2.gz BNXUJFPRTBAKEV-TZMCWYRMSA-N 1 3 343.334 3.661 20 0 EHADHO c1cn(Cc2ccc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)cn1 ZINC000415080417 1017521164 /nfs/dbraw/zinc/52/11/64/1017521164.db2.gz JFZSVNCPMNUNCX-VXKWHMMOSA-N 1 3 346.478 3.514 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655789189 1017610079 /nfs/dbraw/zinc/61/00/79/1017610079.db2.gz XFRVRDOOWJSLSS-SEVLPDGMSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655789190 1017610101 /nfs/dbraw/zinc/61/01/01/1017610101.db2.gz XFRVRDOOWJSLSS-UMSONDCASA-N 1 3 334.548 3.967 20 0 EHADHO C[N@H+]1CC[C@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279426587 1018035980 /nfs/dbraw/zinc/03/59/80/1018035980.db2.gz ABNIUYWZCPOVTP-OKILXGFUSA-N 1 3 330.369 3.618 20 0 EHADHO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279426587 1018035984 /nfs/dbraw/zinc/03/59/84/1018035984.db2.gz ABNIUYWZCPOVTP-OKILXGFUSA-N 1 3 330.369 3.618 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCc4cc(O)ccc4C3)CC2)C1 ZINC000683722517 1018170700 /nfs/dbraw/zinc/17/07/00/1018170700.db2.gz GIQYSYKHTJGLNO-HBGVWJBISA-N 1 3 342.527 3.882 20 0 EHADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCc4cc(O)ccc4C3)CC2)C1 ZINC000683722522 1018171216 /nfs/dbraw/zinc/17/12/16/1018171216.db2.gz GIQYSYKHTJGLNO-MAODMQOUSA-N 1 3 342.527 3.882 20 0 EHADHO CCC[N@H+](CC[C@@H]1CCCN1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167331851 1018202067 /nfs/dbraw/zinc/20/20/67/1018202067.db2.gz BIAIOASEZLTZPV-VXKWHMMOSA-N 1 3 343.559 3.847 20 0 EHADHO CCC[N@@H+](CC[C@@H]1CCCN1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167331851 1018202077 /nfs/dbraw/zinc/20/20/77/1018202077.db2.gz BIAIOASEZLTZPV-VXKWHMMOSA-N 1 3 343.559 3.847 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867263 1018821210 /nfs/dbraw/zinc/82/12/10/1018821210.db2.gz VVDRQAORBWECAE-NWDGAFQWSA-N 1 3 349.828 3.616 20 0 EHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167933179 1019164157 /nfs/dbraw/zinc/16/41/57/1019164157.db2.gz BOBWWEIZNNBGMY-VSZNYVQBSA-N 1 3 346.540 3.602 20 0 EHADHO C[NH2+]C[C@H]1CCCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000580774089 1020003055 /nfs/dbraw/zinc/00/30/55/1020003055.db2.gz OBJUVNFERWKGFK-MRXNPFEDSA-N 1 3 328.422 3.960 20 0 EHADHO Fc1ccc2oc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2c1 ZINC000093734925 1032897304 /nfs/dbraw/zinc/89/73/04/1032897304.db2.gz CPRQBPKHZBQAGF-UHFFFAOYSA-N 1 3 346.446 3.649 20 0 EHADHO CC(C)[C@](C)(C[NH3+])NCCOC(c1ccccc1)c1ccccc1 ZINC000430600454 1020891333 /nfs/dbraw/zinc/89/13/33/1020891333.db2.gz XZRXIKNSISASIU-NRFANRHFSA-N 1 3 326.484 3.756 20 0 EHADHO C[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)N1CCCCCC1 ZINC000276222903 1020951946 /nfs/dbraw/zinc/95/19/46/1020951946.db2.gz QTPNAJVTXVNMJK-HNNXBMFYSA-N 1 3 328.460 3.735 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000507402476 1021253244 /nfs/dbraw/zinc/25/32/44/1021253244.db2.gz MLYIWAMAPRMHOP-VNQPRFMTSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000507402476 1021253261 /nfs/dbraw/zinc/25/32/61/1021253261.db2.gz MLYIWAMAPRMHOP-VNQPRFMTSA-N 1 3 326.406 3.853 20 0 EHADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000426354089 1021360045 /nfs/dbraw/zinc/36/00/45/1021360045.db2.gz YCUGTEYUSANASB-XUVXKRRUSA-N 1 3 330.516 3.549 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1O ZINC000426403107 1021504643 /nfs/dbraw/zinc/50/46/43/1021504643.db2.gz VNNCFTIFKFDEMS-DLBZAZTESA-N 1 3 334.504 3.576 20 0 EHADHO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000437096315 1021547730 /nfs/dbraw/zinc/54/77/30/1021547730.db2.gz SSXCXDZWSWJMIO-SLFFLAALSA-N 1 3 330.516 3.692 20 0 EHADHO C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000564911779 1021640843 /nfs/dbraw/zinc/64/08/43/1021640843.db2.gz LIQZAYZGCQALCG-RBUKOAKNSA-N 1 3 329.532 3.756 20 0 EHADHO N[C@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)c2ccccc21 ZINC000226358358 1033010186 /nfs/dbraw/zinc/01/01/86/1033010186.db2.gz BUDSXHJXZUBIHP-KBPBESRZSA-N 1 3 337.286 3.788 20 0 EHADHO CC[C@H](c1ccccc1)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441068004 1021966267 /nfs/dbraw/zinc/96/62/67/1021966267.db2.gz UVUIIUYTBYBTSA-OAQYLSRUSA-N 1 3 329.532 3.628 20 0 EHADHO CCCc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2ccccc2n1 ZINC000664655467 1022105970 /nfs/dbraw/zinc/10/59/70/1022105970.db2.gz ALXVMZMSLVJZIG-GOSISDBHSA-N 1 3 341.499 3.734 20 0 EHADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000441382788 1022184808 /nfs/dbraw/zinc/18/48/08/1022184808.db2.gz LGIBSZAVMXWUFD-TYPHKJRUSA-N 1 3 343.559 3.574 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425919688 1022201949 /nfs/dbraw/zinc/20/19/49/1022201949.db2.gz GNYQCMKYBCZZBU-PXNSSMCTSA-N 1 3 343.902 3.950 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976892 1022410489 /nfs/dbraw/zinc/41/04/89/1022410489.db2.gz VTIXIPOHOZOBBN-HZPDHXFCSA-N 1 3 345.512 3.923 20 0 EHADHO COc1ccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1OC ZINC001279133983 1022445470 /nfs/dbraw/zinc/44/54/70/1022445470.db2.gz DOVNHJCBCBHJBZ-UHFFFAOYSA-N 1 3 344.499 3.544 20 0 EHADHO Oc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)C2 ZINC000894562725 1022554449 /nfs/dbraw/zinc/55/44/49/1022554449.db2.gz YDKITRUJSZKQSU-KCLUMXDGSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@H](N[C@@H]1C[C@H]3C[C@@H](C1)[N@H+](Cc1ccccc1)C3)C2 ZINC000894562725 1022554460 /nfs/dbraw/zinc/55/44/60/1022554460.db2.gz YDKITRUJSZKQSU-KCLUMXDGSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@H](N[C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562725 1022554472 /nfs/dbraw/zinc/55/44/72/1022554472.db2.gz YDKITRUJSZKQSU-KCLUMXDGSA-N 1 3 348.490 3.502 20 0 EHADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414928996 1022634692 /nfs/dbraw/zinc/63/46/92/1022634692.db2.gz QXHIKSPDOYOYAY-RTBURBONSA-N 1 3 340.467 3.634 20 0 EHADHO C[C@@H]1C[C@@H](N(C)CCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430833604 1022749704 /nfs/dbraw/zinc/74/97/04/1022749704.db2.gz RBDRXMJNZRYMGW-MJGOQNOKSA-N 1 3 346.515 3.703 20 0 EHADHO C[C@@H]1C[C@@H](N(C)CCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000430833604 1022749714 /nfs/dbraw/zinc/74/97/14/1022749714.db2.gz RBDRXMJNZRYMGW-MJGOQNOKSA-N 1 3 346.515 3.703 20 0 EHADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000550213655 1022759945 /nfs/dbraw/zinc/75/99/45/1022759945.db2.gz VNYXJFOGVKJMHB-MSOLQXFVSA-N 1 3 338.536 3.600 20 0 EHADHO CN1CCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@@H]1c1cccs1 ZINC000608059964 1022837145 /nfs/dbraw/zinc/83/71/45/1022837145.db2.gz SAOXPEWUOFWEAX-DNVCBOLYSA-N 1 3 340.496 3.797 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158194138 1022918200 /nfs/dbraw/zinc/91/82/00/1022918200.db2.gz FSZOBCRZAFADJN-HIFRSBDPSA-N 1 3 330.501 3.506 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158194138 1022918213 /nfs/dbraw/zinc/91/82/13/1022918213.db2.gz FSZOBCRZAFADJN-HIFRSBDPSA-N 1 3 330.501 3.506 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430951975 1022942803 /nfs/dbraw/zinc/94/28/03/1022942803.db2.gz OFHIKYCRTDISCB-UHFFFAOYSA-N 1 3 329.271 3.578 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C[C@@H](C)O1 ZINC000341679048 1022967949 /nfs/dbraw/zinc/96/79/49/1022967949.db2.gz AAVDLMGTRYVKLH-JXXFODFXSA-N 1 3 334.479 3.682 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000092165417 1023359593 /nfs/dbraw/zinc/35/95/93/1023359593.db2.gz SKIVFBPPQUZTNW-UHFFFAOYSA-N 1 3 326.431 3.637 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000092165417 1023359597 /nfs/dbraw/zinc/35/95/97/1023359597.db2.gz SKIVFBPPQUZTNW-UHFFFAOYSA-N 1 3 326.431 3.637 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)[C@@H](C)C2 ZINC000180960760 1023667013 /nfs/dbraw/zinc/66/70/13/1023667013.db2.gz ZLXLRYQNLXQWAC-HAFPXEGZSA-N 1 3 342.527 3.586 20 0 EHADHO C[C@H]1CC(NCCc2cncs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018330 1023957318 /nfs/dbraw/zinc/95/73/18/1023957318.db2.gz CXNSDXXBXNIHOO-HOTGVXAUSA-N 1 3 329.513 3.717 20 0 EHADHO Cc1cccc2oc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc21 ZINC000520564915 1024119933 /nfs/dbraw/zinc/11/99/33/1024119933.db2.gz KJSXIMQESYCACE-BRWVUGGUSA-N 1 3 327.472 3.579 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000443656915 1024360539 /nfs/dbraw/zinc/36/05/39/1024360539.db2.gz LXPSVIJMIGUHOM-WBVHZDCISA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000443656915 1024360555 /nfs/dbraw/zinc/36/05/55/1024360555.db2.gz LXPSVIJMIGUHOM-WBVHZDCISA-N 1 3 326.406 3.930 20 0 EHADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)o1 ZINC000430120578 1024369616 /nfs/dbraw/zinc/36/96/16/1024369616.db2.gz FNHOHCSIISKMDQ-HXUWFJFHSA-N 1 3 328.431 3.922 20 0 EHADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)o1 ZINC000430120578 1024369632 /nfs/dbraw/zinc/36/96/32/1024369632.db2.gz FNHOHCSIISKMDQ-HXUWFJFHSA-N 1 3 328.431 3.922 20 0 EHADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1Oc1cccnc1 ZINC000430138362 1024667034 /nfs/dbraw/zinc/66/70/34/1024667034.db2.gz YKKZXFKOLJPAFZ-OAQYLSRUSA-N 1 3 337.467 3.710 20 0 EHADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1Oc1cccnc1 ZINC000430138362 1024667042 /nfs/dbraw/zinc/66/70/42/1024667042.db2.gz YKKZXFKOLJPAFZ-OAQYLSRUSA-N 1 3 337.467 3.710 20 0 EHADHO C[C@H]1CC(NCCC(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011794 1025022578 /nfs/dbraw/zinc/02/25/78/1025022578.db2.gz SLPGMRDVFIGIIG-IRXDYDNUSA-N 1 3 346.515 3.749 20 0 EHADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCC(F)(F)F)cc1F ZINC000665260008 1025055153 /nfs/dbraw/zinc/05/51/53/1025055153.db2.gz WMNFSJZXQDANFB-WHOFXGATSA-N 1 3 348.384 3.600 20 0 EHADHO C[C@H](CN1CCCC1)[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168012408 1025108691 /nfs/dbraw/zinc/10/86/91/1025108691.db2.gz ZPSFODKVDPDAHH-GUDVDZBRSA-N 1 3 329.532 3.502 20 0 EHADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Oc1cccnc1 ZINC000346854823 1025243880 /nfs/dbraw/zinc/24/38/80/1025243880.db2.gz UOBFYLXDGDHCNO-IHPCNDPISA-N 1 3 337.467 3.742 20 0 EHADHO CC(C)[C@H]([NH3+])CCN[C@@H](c1ccc(Br)s1)C1CC1 ZINC000665281724 1025284452 /nfs/dbraw/zinc/28/44/52/1025284452.db2.gz JWQLUSKLTHOFPI-BXUZGUMPSA-N 1 3 331.323 3.925 20 0 EHADHO Fc1cc(-c2ccncc2)ccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347007919 1025404477 /nfs/dbraw/zinc/40/44/77/1025404477.db2.gz DRJVUNLURYGTFV-NRFANRHFSA-N 1 3 339.458 3.852 20 0 EHADHO C[N@H+](CCCN[C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442648787 1025409882 /nfs/dbraw/zinc/40/98/82/1025409882.db2.gz LXUUWZKNSUBMRZ-INIZCTEOSA-N 1 3 325.500 3.879 20 0 EHADHO C[N@@H+](CCCN[C@@H]1Cc2[nH]c3ccccc3c2C1)C1CCCCC1 ZINC000442648787 1025409889 /nfs/dbraw/zinc/40/98/89/1025409889.db2.gz LXUUWZKNSUBMRZ-INIZCTEOSA-N 1 3 325.500 3.879 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530213699 1025506959 /nfs/dbraw/zinc/50/69/59/1025506959.db2.gz VGSCIPUFILEOIF-XCLGDFDDSA-N 1 3 326.871 3.526 20 0 EHADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425501431 1025509864 /nfs/dbraw/zinc/50/98/64/1025509864.db2.gz FUZPCGVMERIYNA-MRXNPFEDSA-N 1 3 333.545 3.686 20 0 EHADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1OC ZINC000474822624 1025515706 /nfs/dbraw/zinc/51/57/06/1025515706.db2.gz PSKXQUMORVSDBG-FZCLSBEQSA-N 1 3 334.504 3.658 20 0 EHADHO CCc1ccc([C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C(C)C)cc1 ZINC000442870657 1025543603 /nfs/dbraw/zinc/54/36/03/1025543603.db2.gz GQZAMTDSVOVLHJ-FQEVSTJZSA-N 1 3 331.548 3.562 20 0 EHADHO Cc1cc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c(C)c(C)[nH+]1 ZINC000521703478 1025610961 /nfs/dbraw/zinc/61/09/61/1025610961.db2.gz UYHYLNLXOIUZGL-HXUWFJFHSA-N 1 3 340.467 3.677 20 0 EHADHO CSC1(CNCc2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000582330355 1025875172 /nfs/dbraw/zinc/87/51/72/1025875172.db2.gz NCHVOOOVWULGBH-UHFFFAOYSA-N 1 3 333.328 3.910 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000479071210 1026446421 /nfs/dbraw/zinc/44/64/21/1026446421.db2.gz RCGLJYCXEJBUHS-LPHOPBHVSA-N 1 3 334.504 3.647 20 0 EHADHO Cc1ncsc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000657483371 1026695597 /nfs/dbraw/zinc/69/55/97/1026695597.db2.gz QANAPXMOMVPIOI-AYHJJNSGSA-N 1 3 327.497 3.833 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000420323889 1027460665 /nfs/dbraw/zinc/46/06/65/1027460665.db2.gz UOKKJRUFOZJUNI-KRWDZBQOSA-N 1 3 328.431 3.541 20 0 EHADHO Clc1ccc(-c2cc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000420344994 1027476607 /nfs/dbraw/zinc/47/66/07/1027476607.db2.gz VMCJEKBTLXOWNT-SFHVURJKSA-N 1 3 345.874 3.959 20 0 EHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326688 1027477981 /nfs/dbraw/zinc/47/79/81/1027477981.db2.gz KHXFIBKOCBDUFM-NJAFHUGGSA-N 1 3 325.456 3.724 20 0 EHADHO CC1(C)CNCC[C@@H]1[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000420364471 1027492402 /nfs/dbraw/zinc/49/24/02/1027492402.db2.gz PAMVZXCUXANCFC-INIZCTEOSA-N 1 3 344.421 3.842 20 0 EHADHO c1cc2cccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c2[nH]1 ZINC000657611664 1027629089 /nfs/dbraw/zinc/62/90/89/1027629089.db2.gz BRIHUYFXPMCSCZ-UHFFFAOYSA-N 1 3 334.467 3.565 20 0 EHADHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(C2CC2)c1 ZINC000657613918 1027654648 /nfs/dbraw/zinc/65/46/48/1027654648.db2.gz WSQAHNQAAXXJJM-UHFFFAOYSA-N 1 3 335.495 3.961 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000501968224 1027671775 /nfs/dbraw/zinc/67/17/75/1027671775.db2.gz UWRLDAVIMUVJKX-YADHBBJMSA-N 1 3 343.559 3.719 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414667343 1027777254 /nfs/dbraw/zinc/77/72/54/1027777254.db2.gz YIXYMMIEZTYJDX-HGGRVWGASA-N 1 3 336.479 3.948 20 0 EHADHO CC(C)(CN[C@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422705961 1027863912 /nfs/dbraw/zinc/86/39/12/1027863912.db2.gz SKGMVKACMZIUDQ-RTWAWAEBSA-N 1 3 335.495 3.558 20 0 EHADHO CC(C)(C)c1csc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422737154 1027881777 /nfs/dbraw/zinc/88/17/77/1027881777.db2.gz HQKGBEUROVGAIY-BZUAXINKSA-N 1 3 335.561 3.884 20 0 EHADHO c1csc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727926 1027898580 /nfs/dbraw/zinc/89/85/80/1027898580.db2.gz DUJGASHXUDCBLC-HCXYKTFWSA-N 1 3 347.572 3.785 20 0 EHADHO C[C@H](NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422744952 1027911088 /nfs/dbraw/zinc/91/10/88/1027911088.db2.gz WVTPSVTXHHEODF-LAUBAEHRSA-N 1 3 338.499 3.618 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000422807366 1027957566 /nfs/dbraw/zinc/95/75/66/1027957566.db2.gz MMQAETACTMFNJO-MGPUTAFESA-N 1 3 329.463 3.906 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000422807902 1027958034 /nfs/dbraw/zinc/95/80/34/1027958034.db2.gz KFXRMCHZXHGIRC-HNNXBMFYSA-N 1 3 335.451 3.732 20 0 EHADHO COc1ccc(-c2csc(CN[C@H]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC000422826898 1027972719 /nfs/dbraw/zinc/97/27/19/1027972719.db2.gz RLFDNIKQQGBYIC-KUHUBIRLSA-N 1 3 330.497 3.901 20 0 EHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)s2)cc1 ZINC000422817902 1027983168 /nfs/dbraw/zinc/98/31/68/1027983168.db2.gz FEMAAFFMPUMRDP-RDTXWAMCSA-N 1 3 330.497 3.901 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000422854490 1027991466 /nfs/dbraw/zinc/99/14/66/1027991466.db2.gz CWXAKNPFVZTTOR-PGRDOPGGSA-N 1 3 338.495 3.881 20 0 EHADHO C[C@H](CCCC[NH3+])N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422880058 1028014448 /nfs/dbraw/zinc/01/44/48/1028014448.db2.gz NCVMTIGLUDLADO-OXQOHEQNSA-N 1 3 336.483 3.770 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000422900560 1028038051 /nfs/dbraw/zinc/03/80/51/1028038051.db2.gz JOUDQKBGRSWKOR-XERREHJYSA-N 1 3 339.483 3.667 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C12CCCCC2 ZINC000422924065 1028055896 /nfs/dbraw/zinc/05/58/96/1028055896.db2.gz XMOJXQPKHVOWJQ-AYOQOUSVSA-N 1 3 331.504 3.627 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000422930216 1028059300 /nfs/dbraw/zinc/05/93/00/1028059300.db2.gz SKCCMBNVXAPGBZ-HNNXBMFYSA-N 1 3 341.499 3.876 20 0 EHADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC1CCCC1 ZINC000422933764 1028060952 /nfs/dbraw/zinc/06/09/52/1028060952.db2.gz DSAMCYVFLJIBSA-SJLPKXTDSA-N 1 3 332.488 3.624 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000422945877 1028083413 /nfs/dbraw/zinc/08/34/13/1028083413.db2.gz VNQOGGLNOQKOPV-PXNSSMCTSA-N 1 3 348.494 3.562 20 0 EHADHO Cn1cc(-c2cccc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)cn1 ZINC000422968595 1028084115 /nfs/dbraw/zinc/08/41/15/1028084115.db2.gz XGJPEGUWOUYZIC-FGZHOGPDSA-N 1 3 346.478 3.670 20 0 EHADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422951356 1028089309 /nfs/dbraw/zinc/08/93/09/1028089309.db2.gz YGQGAKVNOWWZFX-ZACQAIPSSA-N 1 3 342.405 3.595 20 0 EHADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423004395 1028118125 /nfs/dbraw/zinc/11/81/25/1028118125.db2.gz OWLOFJUNKRSGSL-HOTGVXAUSA-N 1 3 330.394 3.515 20 0 EHADHO c1ccc(COc2cccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000423021674 1028130791 /nfs/dbraw/zinc/13/07/91/1028130791.db2.gz FVZCHCDIVDKQMA-WCRBZPEASA-N 1 3 336.479 3.681 20 0 EHADHO CC[C@H](CC(F)(F)F)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423039752 1028146081 /nfs/dbraw/zinc/14/60/81/1028146081.db2.gz RLBILDGVQBJBHN-XNRPHZJLSA-N 1 3 328.378 3.563 20 0 EHADHO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423056858 1028153021 /nfs/dbraw/zinc/15/30/21/1028153021.db2.gz YVICDAHDVOJARI-PBHICJAKSA-N 1 3 339.483 3.628 20 0 EHADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423053941 1028166504 /nfs/dbraw/zinc/16/65/04/1028166504.db2.gz TXILUAPWZYUYOU-GOEBONIOSA-N 1 3 336.277 3.680 20 0 EHADHO C[C@H](N[C@H]1c2cc(Br)ccc2CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000423125115 1028193189 /nfs/dbraw/zinc/19/31/89/1028193189.db2.gz HRDAWSRWCXIJPK-RBOXIYTFSA-N 1 3 337.305 3.660 20 0 EHADHO COC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423159903 1028233298 /nfs/dbraw/zinc/23/32/98/1028233298.db2.gz YSRDVAWHSRCWSH-CJNGLKHVSA-N 1 3 347.890 3.583 20 0 EHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(CO)c1 ZINC000121064520 1028243964 /nfs/dbraw/zinc/24/39/64/1028243964.db2.gz COUBHGHISRDIBO-KRWDZBQOSA-N 1 3 326.484 3.872 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000503942538 1028244785 /nfs/dbraw/zinc/24/47/85/1028244785.db2.gz ROTGEKXVNFOIJU-MXASKKJJSA-N 1 3 330.463 3.779 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000503942537 1028244818 /nfs/dbraw/zinc/24/48/18/1028244818.db2.gz ROTGEKXVNFOIJU-MWQQHZPXSA-N 1 3 330.463 3.779 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(Br)c1C ZINC000582917069 1028252331 /nfs/dbraw/zinc/25/23/31/1028252331.db2.gz WYVFCGUVDJCFJY-LBPRGKRZSA-N 1 3 348.288 3.770 20 0 EHADHO C[C@@H](N[C@H]1C[C@@H](C)c2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC000423214921 1028282137 /nfs/dbraw/zinc/28/21/37/1028282137.db2.gz MAAJPIOUYBOIMC-JXFSHQFZSA-N 1 3 337.305 3.975 20 0 EHADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000423292130 1028330134 /nfs/dbraw/zinc/33/01/34/1028330134.db2.gz LNGGFXTULDEAME-HOTGVXAUSA-N 1 3 337.467 3.684 20 0 EHADHO COc1ccc(C[C@@H]([NH2+]C[C@H](N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000423270673 1028334830 /nfs/dbraw/zinc/33/48/30/1028334830.db2.gz IJMLUTJTZQWUJS-LEWJYISDSA-N 1 3 342.483 3.561 20 0 EHADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423319097 1028349995 /nfs/dbraw/zinc/34/99/95/1028349995.db2.gz LOHBRNLKOIBLIA-VLIAUNLRSA-N 1 3 328.431 3.793 20 0 EHADHO COc1cc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000423294947 1028353847 /nfs/dbraw/zinc/35/38/47/1028353847.db2.gz VTTOUCUTOXMZDB-KBPBESRZSA-N 1 3 344.455 3.583 20 0 EHADHO COc1ccc([C@@H](NCCCC[NH3+])c2ccccc2Cl)cc1OC ZINC000423331333 1028368129 /nfs/dbraw/zinc/36/81/29/1028368129.db2.gz PXPJSHCJAYOGMU-LJQANCHMSA-N 1 3 348.874 3.775 20 0 EHADHO Cc1nc(COc2ccc(C[NH2+]CC(C)(C)CN(C)C)cc2)cs1 ZINC000061555135 1028433103 /nfs/dbraw/zinc/43/31/03/1028433103.db2.gz KXFYGVNZGLBRGH-UHFFFAOYSA-N 1 3 347.528 3.708 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCNCC2(F)F)CC1 ZINC000423489247 1028476597 /nfs/dbraw/zinc/47/65/97/1028476597.db2.gz XCFNRWXRESNRQI-OAHLLOKOSA-N 1 3 345.522 3.500 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000162297347 1028559104 /nfs/dbraw/zinc/55/91/04/1028559104.db2.gz GWMVTRDAZDESDK-INIZCTEOSA-N 1 3 329.488 3.562 20 0 EHADHO Fc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000414771625 1028765855 /nfs/dbraw/zinc/76/58/55/1028765855.db2.gz ABOWKGVHJMQKFN-HZPDHXFCSA-N 1 3 345.487 3.771 20 0 EHADHO C[NH+](C)C1CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000421866496 1028863319 /nfs/dbraw/zinc/86/33/19/1028863319.db2.gz AMIHEZYZGKCCPE-AFMYVXGZSA-N 1 3 327.447 3.773 20 0 EHADHO CCc1nc(C)c([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000162491844 1028869888 /nfs/dbraw/zinc/86/98/88/1028869888.db2.gz HESCPXPPJASRLK-CQSZACIVSA-N 1 3 347.528 3.805 20 0 EHADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424325670 1028974420 /nfs/dbraw/zinc/97/44/20/1028974420.db2.gz XZSVIVKPZXUDAE-KSZLIROESA-N 1 3 329.513 3.889 20 0 EHADHO Cc1nc(COc2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)cs1 ZINC000414790468 1029085638 /nfs/dbraw/zinc/08/56/38/1029085638.db2.gz AFDDGUDTSAUSRO-VQIMIIECSA-N 1 3 345.512 3.638 20 0 EHADHO C[C@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797961 1029148706 /nfs/dbraw/zinc/14/87/06/1029148706.db2.gz XADIMPHKCSGZCK-RHSMWYFYSA-N 1 3 326.406 3.884 20 0 EHADHO CSCc1cccc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000614992683 1029200919 /nfs/dbraw/zinc/20/09/19/1029200919.db2.gz VVOSNHPXHSSMLP-UHFFFAOYSA-N 1 3 344.524 3.780 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(CO)c2)c1 ZINC000271954563 1029244078 /nfs/dbraw/zinc/24/40/78/1029244078.db2.gz KRUFLYTULYUHKC-KRWDZBQOSA-N 1 3 326.484 3.870 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(CO)c2)c1 ZINC000271954563 1029244086 /nfs/dbraw/zinc/24/40/86/1029244086.db2.gz KRUFLYTULYUHKC-KRWDZBQOSA-N 1 3 326.484 3.870 20 0 EHADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000052209903 1029374654 /nfs/dbraw/zinc/37/46/54/1029374654.db2.gz BEIQRPISTZZBQB-IBGZPJMESA-N 1 3 338.923 3.817 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000052209903 1029374670 /nfs/dbraw/zinc/37/46/70/1029374670.db2.gz BEIQRPISTZZBQB-IBGZPJMESA-N 1 3 338.923 3.817 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663499 1029556182 /nfs/dbraw/zinc/55/61/82/1029556182.db2.gz ILTXTJAVTSJBOU-SPEDKVCISA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272663499 1029556190 /nfs/dbraw/zinc/55/61/90/1029556190.db2.gz ILTXTJAVTSJBOU-SPEDKVCISA-N 1 3 338.495 3.883 20 0 EHADHO CC(C)C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccn1 ZINC000162844997 1029580902 /nfs/dbraw/zinc/58/09/02/1029580902.db2.gz USDWSIVQOSFDDK-GGPKGHCWSA-N 1 3 333.520 3.648 20 0 EHADHO CCSc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000533786067 1029828787 /nfs/dbraw/zinc/82/87/87/1029828787.db2.gz CVCWMDCVPPTUKE-IRXDYDNUSA-N 1 3 348.556 3.950 20 0 EHADHO CC(C)[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635008290 1029961837 /nfs/dbraw/zinc/96/18/37/1029961837.db2.gz CZKOSFXMKNMTDR-WMLDXEAASA-N 1 3 331.460 3.598 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447600871 1030355800 /nfs/dbraw/zinc/35/58/00/1030355800.db2.gz NIPIYKUKJKROGL-BVYCBKJFSA-N 1 3 341.543 3.504 20 0 EHADHO Cc1cnccc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000583674237 1030437992 /nfs/dbraw/zinc/43/79/92/1030437992.db2.gz ZHZXBVDOCJAHOL-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO Cc1cnccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583674237 1030437997 /nfs/dbraw/zinc/43/79/97/1030437997.db2.gz ZHZXBVDOCJAHOL-UHFFFAOYSA-N 1 3 335.495 3.878 20 0 EHADHO CC[C@@H](OCC[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000650742364 1030478780 /nfs/dbraw/zinc/47/87/80/1030478780.db2.gz WNZZJZNPCDMRMO-MGPUTAFESA-N 1 3 327.472 3.667 20 0 EHADHO COCCc1nc(C)c([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)s1 ZINC000092720668 1030503591 /nfs/dbraw/zinc/50/35/91/1030503591.db2.gz FWGNGZOGXZPTLL-CQSZACIVSA-N 1 3 347.528 3.553 20 0 EHADHO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000093318103 1030588736 /nfs/dbraw/zinc/58/87/36/1030588736.db2.gz MYSSUFBOULBCAE-MJGOQNOKSA-N 1 3 339.483 3.581 20 0 EHADHO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000093318103 1030588750 /nfs/dbraw/zinc/58/87/50/1030588750.db2.gz MYSSUFBOULBCAE-MJGOQNOKSA-N 1 3 339.483 3.581 20 0 EHADHO Cc1c(CN2CCSCC2)cccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892353812 1030599735 /nfs/dbraw/zinc/59/97/35/1030599735.db2.gz DNQQIPNIVAURCH-YQQQUEKLSA-N 1 3 345.556 3.581 20 0 EHADHO Cc1c(CN2CCSCC2)cccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892353812 1030599742 /nfs/dbraw/zinc/59/97/42/1030599742.db2.gz DNQQIPNIVAURCH-YQQQUEKLSA-N 1 3 345.556 3.581 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172201 1030845117 /nfs/dbraw/zinc/84/51/17/1030845117.db2.gz HQHCUGDTPGGZJO-KBXCAEBGSA-N 1 3 329.513 3.891 20 0 EHADHO Cc1ncsc1-c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172201 1030845137 /nfs/dbraw/zinc/84/51/37/1030845137.db2.gz HQHCUGDTPGGZJO-KBXCAEBGSA-N 1 3 329.513 3.891 20 0 EHADHO c1cc(-c2nc3ccccc3s2)oc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953586 1030862897 /nfs/dbraw/zinc/86/28/97/1030862897.db2.gz BNMQDOHCABMLSC-QGZVFWFLSA-N 1 3 339.464 3.788 20 0 EHADHO CN1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)CC1 ZINC000527664513 1031088501 /nfs/dbraw/zinc/08/85/01/1031088501.db2.gz JOEDZWSORGXVJF-UHFFFAOYSA-N 1 3 344.886 3.553 20 0 EHADHO C[C@H]1C[C@H](NC[C@H](O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000278549337 1031337319 /nfs/dbraw/zinc/33/73/19/1031337319.db2.gz VQBAGFMWIMTFEO-DQLDELGASA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H]1C[C@H](NC[C@H](O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000278549337 1031337337 /nfs/dbraw/zinc/33/73/37/1031337337.db2.gz VQBAGFMWIMTFEO-DQLDELGASA-N 1 3 342.458 3.502 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000178037948 1031610858 /nfs/dbraw/zinc/61/08/58/1031610858.db2.gz JBLSHYQCOXXNEA-KFWWJZLASA-N 1 3 326.431 3.505 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CCCO2 ZINC000178037734 1031611019 /nfs/dbraw/zinc/61/10/19/1031611019.db2.gz OJNGEZRJLLLKMJ-QWFCFKBJSA-N 1 3 346.515 3.688 20 0 EHADHO Cc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000552013820 1031973968 /nfs/dbraw/zinc/97/39/68/1031973968.db2.gz ZEQYJHRZXRKCLY-NEPJUHHUSA-N 1 3 331.323 3.811 20 0 EHADHO Cc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000552013820 1031973980 /nfs/dbraw/zinc/97/39/80/1031973980.db2.gz ZEQYJHRZXRKCLY-NEPJUHHUSA-N 1 3 331.323 3.811 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2cc1OC ZINC000657890302 1033339001 /nfs/dbraw/zinc/33/90/01/1033339001.db2.gz PIJPAUBYTKEVMI-DOXZYTNZSA-N 1 3 342.483 3.990 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2cc1OC ZINC000657890302 1033339012 /nfs/dbraw/zinc/33/90/12/1033339012.db2.gz PIJPAUBYTKEVMI-DOXZYTNZSA-N 1 3 342.483 3.990 20 0 EHADHO CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685470082 1033367494 /nfs/dbraw/zinc/36/74/94/1033367494.db2.gz QTFQYWXTRCWTIN-FQEVSTJZSA-N 1 3 327.472 3.605 20 0 EHADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000044533366 1033508803 /nfs/dbraw/zinc/50/88/03/1033508803.db2.gz FBZPOXOCHAAWDI-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000044533366 1033508806 /nfs/dbraw/zinc/50/88/06/1033508806.db2.gz FBZPOXOCHAAWDI-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO Cc1ncsc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472350339 1033767550 /nfs/dbraw/zinc/76/75/50/1033767550.db2.gz TUXLYIBQSPVUDG-ROUUACIJSA-N 1 3 329.513 3.624 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000669692204 1033843859 /nfs/dbraw/zinc/84/38/59/1033843859.db2.gz GDLCIBJDYAMKGP-SSSWZJSRSA-N 1 3 341.543 3.580 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000669692204 1033843876 /nfs/dbraw/zinc/84/38/76/1033843876.db2.gz GDLCIBJDYAMKGP-SSSWZJSRSA-N 1 3 341.543 3.580 20 0 EHADHO CCc1ccc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000666922623 1033982869 /nfs/dbraw/zinc/98/28/69/1033982869.db2.gz FYKLHFBKYUKGDH-HNAYVOBHSA-N 1 3 332.488 3.933 20 0 EHADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145216 1033991965 /nfs/dbraw/zinc/99/19/65/1033991965.db2.gz QGFWEJCNVPHLAW-MGPUTAFESA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145216 1033991969 /nfs/dbraw/zinc/99/19/69/1033991969.db2.gz QGFWEJCNVPHLAW-MGPUTAFESA-N 1 3 344.886 3.757 20 0 EHADHO CC(C)c1nc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c2ccccn21 ZINC000529670027 1034397130 /nfs/dbraw/zinc/39/71/30/1034397130.db2.gz PRSPJQQTVQOEEJ-KRWDZBQOSA-N 1 3 326.488 3.564 20 0 EHADHO COCc1ccccc1/C=C(/C)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000511416563 1035379047 /nfs/dbraw/zinc/37/90/47/1035379047.db2.gz TWESKFYNMVEGRG-BDHBZSCSSA-N 1 3 328.500 3.841 20 0 EHADHO COCc1ccccc1/C=C(/C)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000511416563 1035379051 /nfs/dbraw/zinc/37/90/51/1035379051.db2.gz TWESKFYNMVEGRG-BDHBZSCSSA-N 1 3 328.500 3.841 20 0 EHADHO CN(C)Cc1cccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000185750854 1035526956 /nfs/dbraw/zinc/52/69/56/1035526956.db2.gz GEONIYAYGSSGDP-UHFFFAOYSA-N 1 3 345.531 3.523 20 0 EHADHO Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492518069 1035911189 /nfs/dbraw/zinc/91/11/89/1035911189.db2.gz ZWPFJBOTFRZYEU-PZJWPPBQSA-N 1 3 338.495 3.874 20 0 EHADHO Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492518067 1035911811 /nfs/dbraw/zinc/91/18/11/1035911811.db2.gz ZWPFJBOTFRZYEU-FPOVZHCZSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000414177092 1035912109 /nfs/dbraw/zinc/91/21/09/1035912109.db2.gz JNKUYDBYHVCYHB-UONOGXRCSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000414177092 1035912125 /nfs/dbraw/zinc/91/21/25/1035912125.db2.gz JNKUYDBYHVCYHB-UONOGXRCSA-N 1 3 325.294 3.832 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1[nH]nc2ccccc21 ZINC000669832406 1036920815 /nfs/dbraw/zinc/92/08/15/1036920815.db2.gz CYRSJWQCWNXCEQ-OAQYLSRUSA-N 1 3 348.494 3.953 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1[nH]nc2ccccc21 ZINC000669832406 1036920826 /nfs/dbraw/zinc/92/08/26/1036920826.db2.gz CYRSJWQCWNXCEQ-OAQYLSRUSA-N 1 3 348.494 3.953 20 0 EHADHO c1ccc(C[N@H+]2CC[C@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000310916106 1036986002 /nfs/dbraw/zinc/98/60/02/1036986002.db2.gz QIJACAKARYSEDM-HXUWFJFHSA-N 1 3 331.463 3.847 20 0 EHADHO c1ccc(C[N@@H+]2CC[C@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000310916106 1036986018 /nfs/dbraw/zinc/98/60/18/1036986018.db2.gz QIJACAKARYSEDM-HXUWFJFHSA-N 1 3 331.463 3.847 20 0 EHADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000542150680 1037116415 /nfs/dbraw/zinc/11/64/15/1037116415.db2.gz DSCWGLKNSOWUPO-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000542150680 1037116420 /nfs/dbraw/zinc/11/64/20/1037116420.db2.gz DSCWGLKNSOWUPO-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO COc1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312259676 1037152777 /nfs/dbraw/zinc/15/27/77/1037152777.db2.gz UEGGBWVFOUTEDP-APWZRJJASA-N 1 3 342.458 3.835 20 0 EHADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423393160 1037337098 /nfs/dbraw/zinc/33/70/98/1037337098.db2.gz QOLLGDQJMFBYMA-IAOVAPTHSA-N 1 3 329.513 3.963 20 0 EHADHO COC[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)cc1 ZINC000493942432 1037735010 /nfs/dbraw/zinc/73/50/10/1037735010.db2.gz ANCYQIKHGMHRPM-SJORKVTESA-N 1 3 326.912 3.984 20 0 EHADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463074060 1037738205 /nfs/dbraw/zinc/73/82/05/1037738205.db2.gz OIOARVYCOIAIJT-DYQZNNLLSA-N 1 3 343.559 3.750 20 0 EHADHO Cc1nc2ccc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000494015591 1037777679 /nfs/dbraw/zinc/77/76/79/1037777679.db2.gz GGKCYHKUFJOEKB-GASCZTMLSA-N 1 3 347.528 3.584 20 0 EHADHO CC(C)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000463136875 1037800621 /nfs/dbraw/zinc/80/06/21/1037800621.db2.gz HTAQXIUKMMIWCO-CEWLAPEOSA-N 1 3 331.548 3.605 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCCCC2)CCN1Cc1ccccc1 ZINC000463140167 1037803825 /nfs/dbraw/zinc/80/38/25/1037803825.db2.gz VFBWHSBTMAHHDZ-CTNGQTDRSA-N 1 3 329.532 3.505 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001168258600 1038315112 /nfs/dbraw/zinc/31/51/12/1038315112.db2.gz AVJSTFWUANZEHM-UWJYYQICSA-N 1 3 340.511 3.573 20 0 EHADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001168258600 1038315124 /nfs/dbraw/zinc/31/51/24/1038315124.db2.gz AVJSTFWUANZEHM-UWJYYQICSA-N 1 3 340.511 3.573 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1F ZINC000539075008 1038671399 /nfs/dbraw/zinc/67/13/99/1038671399.db2.gz NYJFYZCYFOVDPF-YLJYHZDGSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ccccc1F ZINC000539075008 1038671401 /nfs/dbraw/zinc/67/14/01/1038671401.db2.gz NYJFYZCYFOVDPF-YLJYHZDGSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1F ZINC000539075007 1038671492 /nfs/dbraw/zinc/67/14/92/1038671492.db2.gz NYJFYZCYFOVDPF-XLIONFOSSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ccccc1F ZINC000539075007 1038671495 /nfs/dbraw/zinc/67/14/95/1038671495.db2.gz NYJFYZCYFOVDPF-XLIONFOSSA-N 1 3 342.458 3.705 20 0 EHADHO c1ccc(NCCCC[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000162832467 1038929812 /nfs/dbraw/zinc/92/98/12/1038929812.db2.gz HMIFQRMZMJFXIX-UHFFFAOYSA-N 1 3 330.520 3.660 20 0 EHADHO C[NH+]1CCC2(CCCN2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512433489 1039121976 /nfs/dbraw/zinc/12/19/76/1039121976.db2.gz MADGTHITQDGWSX-UHFFFAOYSA-N 1 3 328.378 3.645 20 0 EHADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512433489 1039121983 /nfs/dbraw/zinc/12/19/83/1039121983.db2.gz MADGTHITQDGWSX-UHFFFAOYSA-N 1 3 328.378 3.645 20 0 EHADHO CN1CCC2(CCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512433489 1039121990 /nfs/dbraw/zinc/12/19/90/1039121990.db2.gz MADGTHITQDGWSX-UHFFFAOYSA-N 1 3 328.378 3.645 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489555821 1040071701 /nfs/dbraw/zinc/07/17/01/1040071701.db2.gz IYEJNMJKTMWKFY-VXGBXAGGSA-N 1 3 329.257 3.581 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000489562782 1040088597 /nfs/dbraw/zinc/08/85/97/1040088597.db2.gz VZRRYJPDUZFHER-OXQOHEQNSA-N 1 3 328.500 3.711 20 0 EHADHO COc1ccc([C@H]2CCCN2Cc2ccnn2-c2ccncc2)cc1 ZINC000667462458 1040103639 /nfs/dbraw/zinc/10/36/39/1040103639.db2.gz JIPWDVLOCFPJIQ-HXUWFJFHSA-N 1 3 334.423 3.613 20 0 EHADHO COc1ccc([C@H]2CCCN2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667462458 1040103646 /nfs/dbraw/zinc/10/36/46/1040103646.db2.gz JIPWDVLOCFPJIQ-HXUWFJFHSA-N 1 3 334.423 3.613 20 0 EHADHO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667462458 1040103655 /nfs/dbraw/zinc/10/36/55/1040103655.db2.gz JIPWDVLOCFPJIQ-HXUWFJFHSA-N 1 3 334.423 3.613 20 0 EHADHO COc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667462458 1040103663 /nfs/dbraw/zinc/10/36/63/1040103663.db2.gz JIPWDVLOCFPJIQ-HXUWFJFHSA-N 1 3 334.423 3.613 20 0 EHADHO c1cc(CN2CCCCC[C@@H]2c2ccncc2)n(-c2cc[nH+]cc2)n1 ZINC000667470806 1040153469 /nfs/dbraw/zinc/15/34/69/1040153469.db2.gz LSADBAWCTXTQKX-HXUWFJFHSA-N 1 3 333.439 3.780 20 0 EHADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465774 1040265323 /nfs/dbraw/zinc/26/53/23/1040265323.db2.gz PUAGHQDSKBMMAO-IEBWSBKVSA-N 1 3 336.479 3.890 20 0 EHADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465774 1040265342 /nfs/dbraw/zinc/26/53/42/1040265342.db2.gz PUAGHQDSKBMMAO-IEBWSBKVSA-N 1 3 336.479 3.890 20 0 EHADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512627098 1040326028 /nfs/dbraw/zinc/32/60/28/1040326028.db2.gz ZYVMMTRDFADDPE-CDJZJNNCSA-N 1 3 342.527 3.692 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000500069978 1040430882 /nfs/dbraw/zinc/43/08/82/1040430882.db2.gz MDURAFRFWJHELX-UHFFFAOYSA-N 1 3 346.515 3.948 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000500069978 1040430891 /nfs/dbraw/zinc/43/08/91/1040430891.db2.gz MDURAFRFWJHELX-UHFFFAOYSA-N 1 3 346.515 3.948 20 0 EHADHO C(=C/c1ccncc1)\CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988612 1040624876 /nfs/dbraw/zinc/62/48/76/1040624876.db2.gz QECGLOAECNSUKM-HVTRQVLWSA-N 1 3 327.497 3.658 20 0 EHADHO C(=C/c1ccncc1)\CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988612 1040624880 /nfs/dbraw/zinc/62/48/80/1040624880.db2.gz QECGLOAECNSUKM-HVTRQVLWSA-N 1 3 327.497 3.658 20 0 EHADHO COc1cccc(C2(F)CC[NH+](CC[C@@H]3CCCCN3C)CC2)c1 ZINC000500172313 1040663169 /nfs/dbraw/zinc/66/31/69/1040663169.db2.gz QAMAOJMWPWIYLU-SFHVURJKSA-N 1 3 334.479 3.830 20 0 EHADHO CN(Cc1ccccc1N1CCCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662260589 1042640229 /nfs/dbraw/zinc/64/02/29/1042640229.db2.gz NATGNLZWWUZNPB-UHFFFAOYSA-N 1 3 335.495 3.565 20 0 EHADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc(Cl)c1F ZINC000161569562 1042672487 /nfs/dbraw/zinc/67/24/87/1042672487.db2.gz GMCVJDBBDJPKLK-YOEHRIQHSA-N 1 3 341.902 3.546 20 0 EHADHO C[C@@H]1CCCN(Cc2ccc(Br)s2)[C@@H]1CCC[NH3+] ZINC000662313577 1042682140 /nfs/dbraw/zinc/68/21/40/1042682140.db2.gz IUQQOVJBDJRASI-DGCLKSJQSA-N 1 3 331.323 3.850 20 0 EHADHO CC(C)Oc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432425520 1043175210 /nfs/dbraw/zinc/17/52/10/1043175210.db2.gz NAOMOVPFDYKZCJ-MSOLQXFVSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)Oc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432425520 1043175217 /nfs/dbraw/zinc/17/52/17/1043175217.db2.gz NAOMOVPFDYKZCJ-MSOLQXFVSA-N 1 3 334.504 3.625 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000344134189 1043306810 /nfs/dbraw/zinc/30/68/10/1043306810.db2.gz RKYPOLQYDQSJHI-OAQYLSRUSA-N 1 3 329.532 3.535 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCCO4)[C@@H]3C2)cc1 ZINC000512297689 1044562530 /nfs/dbraw/zinc/56/25/30/1044562530.db2.gz ZXOPCKLLCMJFES-CBPXPLCBSA-N 1 3 342.527 3.836 20 0 EHADHO CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000171130140 1126752247 /nfs/dbraw/zinc/75/22/47/1126752247.db2.gz WOCVECPEVSKIED-IBGZPJMESA-N 1 3 340.467 3.760 20 0 EHADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623369827 1126932472 /nfs/dbraw/zinc/93/24/72/1126932472.db2.gz SNEFUDKWWPRMLC-MAUKXSAKSA-N 1 3 331.504 3.634 20 0 EHADHO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000623470167 1126962285 /nfs/dbraw/zinc/96/22/85/1126962285.db2.gz BPKVPASTRMNZSM-AZUAARDMSA-N 1 3 340.515 3.704 20 0 EHADHO CN1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476237 1126963696 /nfs/dbraw/zinc/96/36/96/1126963696.db2.gz UHUPUELOWPFPCW-OKZBNKHCSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476237 1126963698 /nfs/dbraw/zinc/96/36/98/1126963698.db2.gz UHUPUELOWPFPCW-OKZBNKHCSA-N 1 3 335.923 3.548 20 0 EHADHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623476237 1126963700 /nfs/dbraw/zinc/96/37/00/1126963700.db2.gz UHUPUELOWPFPCW-OKZBNKHCSA-N 1 3 335.923 3.548 20 0 EHADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178037076 1127005021 /nfs/dbraw/zinc/00/50/21/1127005021.db2.gz SFBSUULTTTZEGR-OKZBNKHCSA-N 1 3 336.495 3.626 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123693 1127256497 /nfs/dbraw/zinc/25/64/97/1127256497.db2.gz QQLRMGTZYGFSTJ-SQGPQFPESA-N 1 3 334.479 3.615 20 0 EHADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCCS2 ZINC000624123638 1127256701 /nfs/dbraw/zinc/25/67/01/1127256701.db2.gz PRMHGPZOBGYMBR-MAUKXSAKSA-N 1 3 334.529 3.944 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000624124159 1127257683 /nfs/dbraw/zinc/25/76/83/1127257683.db2.gz YQAOPGACAHMZIR-ZACQAIPSSA-N 1 3 334.504 3.517 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765356821 1127601324 /nfs/dbraw/zinc/60/13/24/1127601324.db2.gz UUXBFDONORYBFJ-OAHLLOKOSA-N 1 3 345.487 3.557 20 0 EHADHO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000386610189 1127705286 /nfs/dbraw/zinc/70/52/86/1127705286.db2.gz MMHRRIPVEQKYTO-APWZRJJASA-N 1 3 342.458 3.835 20 0 EHADHO CCCN(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764419 1128252417 /nfs/dbraw/zinc/25/24/17/1128252417.db2.gz DMYVVSZRXAFOKG-HSALFYBXSA-N 1 3 349.950 3.939 20 0 EHADHO CCCN(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764419 1128252422 /nfs/dbraw/zinc/25/24/22/1128252422.db2.gz DMYVVSZRXAFOKG-HSALFYBXSA-N 1 3 349.950 3.939 20 0 EHADHO COc1ccc2c(c1Cl)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000903066402 1128455087 /nfs/dbraw/zinc/45/50/87/1128455087.db2.gz MDYXEZMDZIPCES-CZUORRHYSA-N 1 3 334.891 3.800 20 0 EHADHO CC[NH+]1CCC(CNCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000068722455 1120023687 /nfs/dbraw/zinc/02/36/87/1120023687.db2.gz WZOATHOOVIAJBP-UHFFFAOYSA-N 1 3 333.476 3.771 20 0 EHADHO COc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1OCC(C)C ZINC001648835461 1120051559 /nfs/dbraw/zinc/05/15/59/1120051559.db2.gz OXZLBIDVRDBWRP-UHFFFAOYSA-N 1 3 346.515 3.694 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000191455105 1120674970 /nfs/dbraw/zinc/67/49/70/1120674970.db2.gz OTCGTLRGNHOEGB-QGZVFWFLSA-N 1 3 337.939 3.749 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000191455105 1120674971 /nfs/dbraw/zinc/67/49/71/1120674971.db2.gz OTCGTLRGNHOEGB-QGZVFWFLSA-N 1 3 337.939 3.749 20 0 EHADHO Cc1ccc([C@@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000192745747 1120746593 /nfs/dbraw/zinc/74/65/93/1120746593.db2.gz FZTKLEGQHWWHIT-QFIPXVFZSA-N 1 3 343.559 3.938 20 0 EHADHO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000192745747 1120746599 /nfs/dbraw/zinc/74/65/99/1120746599.db2.gz FZTKLEGQHWWHIT-QFIPXVFZSA-N 1 3 343.559 3.938 20 0 EHADHO Cc1ccccc1[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC000494980721 1120921899 /nfs/dbraw/zinc/92/18/99/1120921899.db2.gz ZZFWIERHWAIVME-OAQYLSRUSA-N 1 3 343.559 3.842 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494975472 1120925217 /nfs/dbraw/zinc/92/52/17/1120925217.db2.gz DOKKFCRLZOGQFB-VMPITWQZSA-N 1 3 335.495 3.939 20 0 EHADHO C[N@H+](Cc1ccccc1)CC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494975472 1120925220 /nfs/dbraw/zinc/92/52/20/1120925220.db2.gz DOKKFCRLZOGQFB-VMPITWQZSA-N 1 3 335.495 3.939 20 0 EHADHO Cc1cc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C)nn1 ZINC000929840076 1120930923 /nfs/dbraw/zinc/93/09/23/1120930923.db2.gz BEMUQKQCKKNHQO-QGZVFWFLSA-N 1 3 330.520 3.570 20 0 EHADHO Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)nn1 ZINC000929840076 1120930928 /nfs/dbraw/zinc/93/09/28/1120930928.db2.gz BEMUQKQCKKNHQO-QGZVFWFLSA-N 1 3 330.520 3.570 20 0 EHADHO CCc1nc2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000338778914 1128963411 /nfs/dbraw/zinc/96/34/11/1128963411.db2.gz FSHMBKAJEJBNCZ-HOCLYGCPSA-N 1 3 326.488 3.506 20 0 EHADHO CCc1nc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000338778914 1128963413 /nfs/dbraw/zinc/96/34/13/1128963413.db2.gz FSHMBKAJEJBNCZ-HOCLYGCPSA-N 1 3 326.488 3.506 20 0 EHADHO C[C@H](O)C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000305129152 1121257876 /nfs/dbraw/zinc/25/78/76/1121257876.db2.gz JHHBLVFHHVICQP-ICSRJNTNSA-N 1 3 344.543 3.928 20 0 EHADHO C[C@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237505030 1121486141 /nfs/dbraw/zinc/48/61/41/1121486141.db2.gz NTOWTCHACHGWCO-IBGZPJMESA-N 1 3 349.522 3.897 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(N2CCOC2=O)c1 ZINC000496267194 1122034523 /nfs/dbraw/zinc/03/45/23/1122034523.db2.gz XLPFCQIKDQDPTN-LSDHHAIUSA-N 1 3 339.439 3.514 20 0 EHADHO CC(C)(C)CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556936021 1123225390 /nfs/dbraw/zinc/22/53/90/1123225390.db2.gz JVNGCQXESRMDMH-FQEVSTJZSA-N 1 3 344.543 3.941 20 0 EHADHO CN(C)Cc1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1F ZINC000136064213 1123661953 /nfs/dbraw/zinc/66/19/53/1123661953.db2.gz RRLPNYTZBSQYOG-UHFFFAOYSA-N 1 3 342.458 3.891 20 0 EHADHO Cc1nccn1C[C@@H](C)C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000080208537 1123746528 /nfs/dbraw/zinc/74/65/28/1123746528.db2.gz VRPZCIRDAUJLBT-SFHVURJKSA-N 1 3 342.531 3.575 20 0 EHADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000246847363 1124556630 /nfs/dbraw/zinc/55/66/30/1124556630.db2.gz CKFMTBGBPVIMCC-LSTHTHJFSA-N 1 3 349.950 3.797 20 0 EHADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000246847363 1124556644 /nfs/dbraw/zinc/55/66/44/1124556644.db2.gz CKFMTBGBPVIMCC-LSTHTHJFSA-N 1 3 349.950 3.797 20 0 EHADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)[C@H](C)C1 ZINC000246847363 1124556658 /nfs/dbraw/zinc/55/66/58/1124556658.db2.gz CKFMTBGBPVIMCC-LSTHTHJFSA-N 1 3 349.950 3.797 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247199078 1124594213 /nfs/dbraw/zinc/59/42/13/1124594213.db2.gz WEFXZJZOWPCFBW-MCIONIFRSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@H](COc1ccccc1C(F)(F)F)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247199078 1124594218 /nfs/dbraw/zinc/59/42/18/1124594218.db2.gz WEFXZJZOWPCFBW-MCIONIFRSA-N 1 3 330.394 3.545 20 0 EHADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248405629 1124657741 /nfs/dbraw/zinc/65/77/41/1124657741.db2.gz RNJJQIUVUBLRAQ-OYNPSCLESA-N 1 3 344.543 3.674 20 0 EHADHO CCc1ccc([C@H]([NH2+]CCCN2CCN(CC)CC2)C(C)C)cc1 ZINC000091285055 1124973574 /nfs/dbraw/zinc/97/35/74/1124973574.db2.gz WCLITBFTCPGKAB-OAQYLSRUSA-N 1 3 331.548 3.563 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000093688369 1125289667 /nfs/dbraw/zinc/28/96/67/1125289667.db2.gz PFNZAPPBSNEDMF-UHFFFAOYSA-N 1 3 344.421 3.981 20 0 EHADHO c1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000262210708 1125412991 /nfs/dbraw/zinc/41/29/91/1125412991.db2.gz LPKGEQXZBFUBBW-MBDNFAEBSA-N 1 3 341.543 3.724 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)CCO)cc1CN1CCCCC1 ZINC000183054486 1125429200 /nfs/dbraw/zinc/42/92/00/1125429200.db2.gz NZENHRGSRNIZSD-KRWDZBQOSA-N 1 3 348.531 3.740 20 0 EHADHO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000922675518 1129624060 /nfs/dbraw/zinc/62/40/60/1129624060.db2.gz DJVZLMBDFJNZPZ-SJORKVTESA-N 1 3 348.453 3.873 20 0 EHADHO C[C@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)CCN1Cc1ccccc1 ZINC000674335833 1130067294 /nfs/dbraw/zinc/06/72/94/1130067294.db2.gz RRWTWPNDRUSLGJ-FUHWJXTLSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@H]1C[C@H](NCc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000674335833 1130067298 /nfs/dbraw/zinc/06/72/98/1130067298.db2.gz RRWTWPNDRUSLGJ-FUHWJXTLSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@H]1C[C@H](NCc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335833 1130067304 /nfs/dbraw/zinc/06/73/04/1130067304.db2.gz RRWTWPNDRUSLGJ-FUHWJXTLSA-N 1 3 334.467 3.706 20 0 EHADHO CC1(O)CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000703010026 1130267871 /nfs/dbraw/zinc/26/78/71/1130267871.db2.gz PDZFSGFZPBEUKD-MWXLCCTBSA-N 1 3 330.516 3.572 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745803 1130469098 /nfs/dbraw/zinc/46/90/98/1130469098.db2.gz GOVIUBNWKNFBQY-ZWOKBUDYSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2cccnc2)cc1 ZINC000675745803 1130469101 /nfs/dbraw/zinc/46/91/01/1130469101.db2.gz GOVIUBNWKNFBQY-ZWOKBUDYSA-N 1 3 339.483 3.794 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@@H](C)C1 ZINC000675743805 1130469161 /nfs/dbraw/zinc/46/91/61/1130469161.db2.gz VMGAQOJMPFYFSZ-QFBILLFUSA-N 1 3 325.456 3.694 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3C)[C@@H](C)C1 ZINC000675885286 1130501787 /nfs/dbraw/zinc/50/17/87/1130501787.db2.gz ONMYZAAVFMXRKJ-DZFGPLHGSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3C)[C@@H](C)C1 ZINC000675885286 1130501793 /nfs/dbraw/zinc/50/17/93/1130501793.db2.gz ONMYZAAVFMXRKJ-DZFGPLHGSA-N 1 3 330.516 3.709 20 0 EHADHO CC(C)COCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172467541 1131754305 /nfs/dbraw/zinc/75/43/05/1131754305.db2.gz LBEFBXXSPNIRDD-KRWDZBQOSA-N 1 3 336.495 3.613 20 0 EHADHO CCc1ccc(C[C@H](C)[NH2+]C2CCN(CC3CCOCC3)CC2)cc1 ZINC001173241996 1132029467 /nfs/dbraw/zinc/02/94/67/1132029467.db2.gz RRVZMIVUMDSULB-SFHVURJKSA-N 1 3 344.543 3.661 20 0 EHADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702317 1132129251 /nfs/dbraw/zinc/12/92/51/1132129251.db2.gz KYFDHTWSBYHLGD-LAUBAEHRSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702317 1132129255 /nfs/dbraw/zinc/12/92/55/1132129255.db2.gz KYFDHTWSBYHLGD-LAUBAEHRSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702317 1132129256 /nfs/dbraw/zinc/12/92/56/1132129256.db2.gz KYFDHTWSBYHLGD-LAUBAEHRSA-N 1 3 338.495 3.650 20 0 EHADHO COc1ccc2c(c1)nccc2N1CCC(CCC[NH+](C)C)CC1 ZINC000766442088 1132544472 /nfs/dbraw/zinc/54/44/72/1132544472.db2.gz GEWZAWNYNWIBKL-UHFFFAOYSA-N 1 3 327.472 3.802 20 0 EHADHO C[C@@H]([NH2+]C[C@@H](CN(C)Cc1ccccc1)c1ccccc1)c1cn[nH]c1 ZINC001169064943 1132649334 /nfs/dbraw/zinc/64/93/34/1132649334.db2.gz CQABOKGHXZJDFV-GCJKJVERSA-N 1 3 348.494 3.976 20 0 EHADHO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001177267683 1133050521 /nfs/dbraw/zinc/05/05/21/1133050521.db2.gz LISGNCZJQBAMMI-SIKLNZKXSA-N 1 3 343.559 3.883 20 0 EHADHO CN(C)c1cccc(Cl)c1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC001179715739 1133275575 /nfs/dbraw/zinc/27/55/75/1133275575.db2.gz BOXVNYYOOUKRSH-UHFFFAOYSA-N 1 3 335.923 3.903 20 0 EHADHO CN(CCCO)C1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000769425918 1133282231 /nfs/dbraw/zinc/28/22/31/1133282231.db2.gz ZVCKDGKIASQZIB-UHFFFAOYSA-N 1 3 338.495 3.632 20 0 EHADHO C[C@]1(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697164 1133518941 /nfs/dbraw/zinc/51/89/41/1133518941.db2.gz GLWDHDKERKIBHB-NHCUHLMSSA-N 1 3 328.500 3.544 20 0 EHADHO C[C@]1(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCO1 ZINC001181697164 1133518943 /nfs/dbraw/zinc/51/89/43/1133518943.db2.gz GLWDHDKERKIBHB-NHCUHLMSSA-N 1 3 328.500 3.544 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC001184388041 1133933753 /nfs/dbraw/zinc/93/37/53/1133933753.db2.gz PATMVWGUBBCDRL-ODVANORSSA-N 1 3 326.406 3.739 20 0 EHADHO CC(C)[N@H+](C)CCCN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788244591 1134099691 /nfs/dbraw/zinc/09/96/91/1134099691.db2.gz NTKYXVSBJSOVJC-DLBZAZTESA-N 1 3 341.540 3.532 20 0 EHADHO CC(C)[N@@H+](C)CCCN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788244591 1134099698 /nfs/dbraw/zinc/09/96/98/1134099698.db2.gz NTKYXVSBJSOVJC-DLBZAZTESA-N 1 3 341.540 3.532 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCCN1CCCC[C@@H]1C ZINC001170407967 1134771035 /nfs/dbraw/zinc/77/10/35/1134771035.db2.gz PVXAVPNLIIIRKU-WMZOPIPTSA-N 1 3 332.488 3.591 20 0 EHADHO Cn1cc(-c2ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)s2)cn1 ZINC000509459396 1134878095 /nfs/dbraw/zinc/87/80/95/1134878095.db2.gz LJUHDBPMEGWDMP-KRWDZBQOSA-N 1 3 334.533 3.605 20 0 EHADHO CCCc1ccc(CN2CCC(CC)([NH+]3CCOCC3)CC2)cc1 ZINC001196645965 1135588555 /nfs/dbraw/zinc/58/85/55/1135588555.db2.gz DJGGYDMEAKGHHD-UHFFFAOYSA-N 1 3 330.516 3.716 20 0 EHADHO CN(Cc1c[nH]nc1-c1cccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738734 1135883149 /nfs/dbraw/zinc/88/31/49/1135883149.db2.gz GZPYQFCMICMKKQ-UHFFFAOYSA-N 1 3 340.496 3.832 20 0 EHADHO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001199328632 1135897974 /nfs/dbraw/zinc/89/79/74/1135897974.db2.gz CCJIUHBAPUNLHR-SIKLNZKXSA-N 1 3 343.559 3.883 20 0 EHADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126853 1135924075 /nfs/dbraw/zinc/92/40/75/1135924075.db2.gz NROQFJSMFMLMST-IEBWSBKVSA-N 1 3 343.515 3.729 20 0 EHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC001202348413 1136127282 /nfs/dbraw/zinc/12/72/82/1136127282.db2.gz NSRLWCNTMOTXLQ-HYVNUMGLSA-N 1 3 341.421 3.566 20 0 EHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC001202348413 1136127283 /nfs/dbraw/zinc/12/72/83/1136127283.db2.gz NSRLWCNTMOTXLQ-HYVNUMGLSA-N 1 3 341.421 3.566 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850414066 1136253350 /nfs/dbraw/zinc/25/33/50/1136253350.db2.gz UKCZAXGVRGJVMY-AKHDSKFASA-N 1 3 336.907 3.614 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850414066 1136253354 /nfs/dbraw/zinc/25/33/54/1136253354.db2.gz UKCZAXGVRGJVMY-AKHDSKFASA-N 1 3 336.907 3.614 20 0 EHADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCCOCC2)CC1 ZINC001170797446 1136628728 /nfs/dbraw/zinc/62/87/28/1136628728.db2.gz VCMHHQCJSDTUNB-SFHVURJKSA-N 1 3 336.907 3.711 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NCCCCC(=O)OCc2ccccc2)c2ccccc21 ZINC000817922341 1136846461 /nfs/dbraw/zinc/84/64/61/1136846461.db2.gz UUBZVYJRWDJXIV-WOJBJXKFSA-N 1 3 338.451 3.635 20 0 EHADHO Cc1ccc(OC(F)F)c([C@H](C)NCc2ccc(CC[NH3+])cc2)c1 ZINC000817947130 1136850669 /nfs/dbraw/zinc/85/06/69/1136850669.db2.gz KXWVAKQKJQVRQF-AWEZNQCLSA-N 1 3 334.410 3.948 20 0 EHADHO CC1CC[NH+]([C@@H](CNc2ccnc(CO)c2)c2cccs2)CC1 ZINC000858315961 1136957675 /nfs/dbraw/zinc/95/76/75/1136957675.db2.gz DUEQNBLJXVXSGS-KRWDZBQOSA-N 1 3 331.485 3.521 20 0 EHADHO Fc1cccc2c1C[C@H]([NH+]1CCC(N3CCC(F)CC3)CC1)CC2 ZINC001170999800 1137082866 /nfs/dbraw/zinc/08/28/66/1137082866.db2.gz DGQNQXXIXUPTJF-GOSISDBHSA-N 1 3 334.454 3.581 20 0 EHADHO Cc1c[nH+]ccc1N1CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171132258 1137233557 /nfs/dbraw/zinc/23/35/57/1137233557.db2.gz DYWIUHITLVGUQK-LJQANCHMSA-N 1 3 341.886 3.723 20 0 EHADHO CC(C)[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccn1 ZINC000866388181 1137351212 /nfs/dbraw/zinc/35/12/12/1137351212.db2.gz CWBXYEXBHSBINF-NRFANRHFSA-N 1 3 338.499 3.676 20 0 EHADHO Cc1nccnc1[C@H](C)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866468444 1137357338 /nfs/dbraw/zinc/35/73/38/1137357338.db2.gz AJILACIOKDPWJH-KRWDZBQOSA-N 1 3 338.499 3.738 20 0 EHADHO Fc1cc2c(cc1F)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001171463220 1137490889 /nfs/dbraw/zinc/49/08/89/1137490889.db2.gz OQKVHEGCINLEEK-QGZVFWFLSA-N 1 3 334.454 3.819 20 0 EHADHO COc1cccnc1C(C)(C)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171630084 1137499691 /nfs/dbraw/zinc/49/96/91/1137499691.db2.gz HYPXNWAZGFNPKL-UHFFFAOYSA-N 1 3 333.520 3.609 20 0 EHADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCc2ccc(C)cc2)CC1 ZINC001171678865 1137503609 /nfs/dbraw/zinc/50/36/09/1137503609.db2.gz HYWMDGSJHCODDC-UGKGYDQZSA-N 1 3 344.543 3.891 20 0 EHADHO CCCCCCN1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171764767 1137509249 /nfs/dbraw/zinc/50/92/49/1137509249.db2.gz UVMSUYYNCPQDJA-UNMCSNQZSA-N 1 3 343.559 3.847 20 0 EHADHO CCCCCCN1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764767 1137509250 /nfs/dbraw/zinc/50/92/50/1137509250.db2.gz UVMSUYYNCPQDJA-UNMCSNQZSA-N 1 3 343.559 3.847 20 0 EHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807989 1137513793 /nfs/dbraw/zinc/51/37/93/1137513793.db2.gz WWGAKUYACKNBPZ-AZUAARDMSA-N 1 3 338.470 3.747 20 0 EHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807989 1137513795 /nfs/dbraw/zinc/51/37/95/1137513795.db2.gz WWGAKUYACKNBPZ-AZUAARDMSA-N 1 3 338.470 3.747 20 0 EHADHO COCc1cc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)ccc1OC ZINC000123387273 1137514781 /nfs/dbraw/zinc/51/47/81/1137514781.db2.gz OHWQPRMITLIGRI-QGZVFWFLSA-N 1 3 334.504 3.614 20 0 EHADHO CN(CCc1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980698 1137526921 /nfs/dbraw/zinc/52/69/21/1137526921.db2.gz GAMSWIOCTQTCGL-NRFANRHFSA-N 1 3 337.511 3.999 20 0 EHADHO CN(CCc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980698 1137526923 /nfs/dbraw/zinc/52/69/23/1137526923.db2.gz GAMSWIOCTQTCGL-NRFANRHFSA-N 1 3 337.511 3.999 20 0 EHADHO CCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074745 1137530141 /nfs/dbraw/zinc/53/01/41/1137530141.db2.gz LZSYDXBIDOJKSK-KOUNCHBCSA-N 1 3 341.543 3.600 20 0 EHADHO CCCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074745 1137530142 /nfs/dbraw/zinc/53/01/42/1137530142.db2.gz LZSYDXBIDOJKSK-KOUNCHBCSA-N 1 3 341.543 3.600 20 0 EHADHO CN1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1(C)C ZINC001172082078 1137531328 /nfs/dbraw/zinc/53/13/28/1137531328.db2.gz JGMDIBZVFIIJLB-WKCHPHFGSA-N 1 3 341.543 3.598 20 0 EHADHO CN1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1(C)C ZINC001172082078 1137531330 /nfs/dbraw/zinc/53/13/30/1137531330.db2.gz JGMDIBZVFIIJLB-WKCHPHFGSA-N 1 3 341.543 3.598 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109723 1137537231 /nfs/dbraw/zinc/53/72/31/1137537231.db2.gz KJGPGQIDBXSSKU-JFILPPLUSA-N 1 3 343.298 3.632 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109723 1137537232 /nfs/dbraw/zinc/53/72/32/1137537232.db2.gz KJGPGQIDBXSSKU-JFILPPLUSA-N 1 3 343.298 3.632 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C2 ZINC001172109723 1137537234 /nfs/dbraw/zinc/53/72/34/1137537234.db2.gz KJGPGQIDBXSSKU-JFILPPLUSA-N 1 3 343.298 3.632 20 0 EHADHO CCCc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873246752 1137595214 /nfs/dbraw/zinc/59/52/14/1137595214.db2.gz ALTHBLCOEGGEKM-INIZCTEOSA-N 1 3 349.482 3.529 20 0 EHADHO Cc1cc2c(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)c[nH]c2cc1F ZINC000873246855 1137595322 /nfs/dbraw/zinc/59/53/22/1137595322.db2.gz CFKDHRAYMRADNF-ZDUSSCGKSA-N 1 3 340.446 3.671 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc3c(F)cccc3c2)CC1 ZINC000876624777 1137657412 /nfs/dbraw/zinc/65/74/12/1137657412.db2.gz JSQUIYNZSGKTPG-UHFFFAOYSA-N 1 3 329.463 3.926 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc3c(F)cccc3c2)CC1 ZINC000876624777 1137657413 /nfs/dbraw/zinc/65/74/13/1137657413.db2.gz JSQUIYNZSGKTPG-UHFFFAOYSA-N 1 3 329.463 3.926 20 0 EHADHO CN1CC[NH+](C2CCN(Cc3cccc(C4CCCC4)c3)CC2)CC1 ZINC000877747151 1137687996 /nfs/dbraw/zinc/68/79/96/1137687996.db2.gz WHOWPYRGFNUSBN-UHFFFAOYSA-N 1 3 341.543 3.556 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc4ccccc4c(Cl)n3)C2)CC1 ZINC000878866554 1137730440 /nfs/dbraw/zinc/73/04/40/1137730440.db2.gz LVBQOUFLGOZEKO-UHFFFAOYSA-N 1 3 329.875 3.806 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc1CN1CCCCC1 ZINC000883271149 1137851799 /nfs/dbraw/zinc/85/17/99/1137851799.db2.gz GRZAEDZLFZHFEW-ZWOKBUDYSA-N 1 3 346.515 3.757 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264617 1137886834 /nfs/dbraw/zinc/88/68/34/1137886834.db2.gz NWABJZKVVRBWJK-ZBFHGGJFSA-N 1 3 331.435 3.631 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264617 1137886835 /nfs/dbraw/zinc/88/68/35/1137886835.db2.gz NWABJZKVVRBWJK-ZBFHGGJFSA-N 1 3 331.435 3.631 20 0 EHADHO CC(C)[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517454 1138088662 /nfs/dbraw/zinc/08/86/62/1138088662.db2.gz DTWSDADWMUDUAU-CTNGQTDRSA-N 1 3 340.515 3.619 20 0 EHADHO CC(C)[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000886517454 1138088664 /nfs/dbraw/zinc/08/86/64/1138088664.db2.gz DTWSDADWMUDUAU-CTNGQTDRSA-N 1 3 340.515 3.619 20 0 EHADHO CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886628129 1138103799 /nfs/dbraw/zinc/10/37/99/1138103799.db2.gz GUCHTMVWNXAGNN-JRSUCEMESA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1N(C)C ZINC000093942630 1138243386 /nfs/dbraw/zinc/24/33/86/1138243386.db2.gz IXEUNOCZVFFNSS-KRWDZBQOSA-N 1 3 341.499 3.544 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000123947930 1138276499 /nfs/dbraw/zinc/27/64/99/1138276499.db2.gz FKCWBLPQJSKVCN-MRXNPFEDSA-N 1 3 340.467 3.760 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000123947930 1138276500 /nfs/dbraw/zinc/27/65/00/1138276500.db2.gz FKCWBLPQJSKVCN-MRXNPFEDSA-N 1 3 340.467 3.760 20 0 EHADHO C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000124675042 1138292279 /nfs/dbraw/zinc/29/22/79/1138292279.db2.gz FXZUJDUGWKYVAV-IBGZPJMESA-N 1 3 334.467 3.517 20 0 EHADHO C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000124675042 1138292281 /nfs/dbraw/zinc/29/22/81/1138292281.db2.gz FXZUJDUGWKYVAV-IBGZPJMESA-N 1 3 334.467 3.517 20 0 EHADHO CC(C)Sc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151371348 1139028373 /nfs/dbraw/zinc/02/83/73/1139028373.db2.gz MNOWWCZICRCXPG-INIZCTEOSA-N 1 3 336.545 3.685 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000177050888 1139594628 /nfs/dbraw/zinc/59/46/28/1139594628.db2.gz SUDFDUQSEPEETQ-UHFFFAOYSA-N 1 3 342.430 3.603 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000177050888 1139594631 /nfs/dbraw/zinc/59/46/31/1139594631.db2.gz SUDFDUQSEPEETQ-UHFFFAOYSA-N 1 3 342.430 3.603 20 0 EHADHO COC(=O)c1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000181032912 1139880639 /nfs/dbraw/zinc/88/06/39/1139880639.db2.gz IZXRQBVGBKGZTA-UHFFFAOYSA-N 1 3 340.467 3.603 20 0 EHADHO COC(=O)c1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000181032912 1139880644 /nfs/dbraw/zinc/88/06/44/1139880644.db2.gz IZXRQBVGBKGZTA-UHFFFAOYSA-N 1 3 340.467 3.603 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000182232492 1139959339 /nfs/dbraw/zinc/95/93/39/1139959339.db2.gz XPYFMKODGGIAFY-HRAATJIYSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000182232492 1139959343 /nfs/dbraw/zinc/95/93/43/1139959343.db2.gz XPYFMKODGGIAFY-HRAATJIYSA-N 1 3 342.458 3.633 20 0 EHADHO CC(C)[NH+]1CCN(CCCN[C@H](C)c2c(F)cccc2Cl)CC1 ZINC000191609046 1140474786 /nfs/dbraw/zinc/47/47/86/1140474786.db2.gz XLHPBJNUFDFEOB-OAHLLOKOSA-N 1 3 341.902 3.546 20 0 EHADHO C[C@@H]1COCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000192542226 1140537635 /nfs/dbraw/zinc/53/76/35/1140537635.db2.gz IQPARIZLDUUCCA-DNVCBOLYSA-N 1 3 336.907 3.567 20 0 EHADHO Cc1nccn1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268891079 1141018982 /nfs/dbraw/zinc/01/89/82/1141018982.db2.gz MRYQDOZDTHSGRT-RXVVDRJESA-N 1 3 340.515 3.614 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268923243 1141026388 /nfs/dbraw/zinc/02/63/88/1141026388.db2.gz PHOFZEFKFGXOOA-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268923243 1141026395 /nfs/dbraw/zinc/02/63/95/1141026395.db2.gz PHOFZEFKFGXOOA-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](C)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269063693 1141059404 /nfs/dbraw/zinc/05/94/04/1141059404.db2.gz KTRWOOMYEIEEGX-SFHVURJKSA-N 1 3 338.495 3.803 20 0 EHADHO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000269063693 1141059411 /nfs/dbraw/zinc/05/94/11/1141059411.db2.gz KTRWOOMYEIEEGX-SFHVURJKSA-N 1 3 338.495 3.803 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000271504025 1141382269 /nfs/dbraw/zinc/38/22/69/1141382269.db2.gz MNVYQZUFJKXKNF-KFKAGJAMSA-N 1 3 342.483 3.851 20 0 EHADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc2ccccc21 ZINC000271539022 1141392158 /nfs/dbraw/zinc/39/21/58/1141392158.db2.gz SFMSGKOYPZOULK-WQTXXOFMSA-N 1 3 338.495 3.868 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271544289 1141393291 /nfs/dbraw/zinc/39/32/91/1141393291.db2.gz TYCLUPQGFIEIIH-NMLACTOBSA-N 1 3 328.500 3.511 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000271548227 1141394403 /nfs/dbraw/zinc/39/44/03/1141394403.db2.gz UNLXGVVVAYMCPS-IGNZVWTISA-N 1 3 340.870 3.508 20 0 EHADHO Cc1sccc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000339250860 1141540177 /nfs/dbraw/zinc/54/01/77/1141540177.db2.gz NIPNHOPHKCKNPM-UHFFFAOYSA-N 1 3 330.497 3.821 20 0 EHADHO Cc1cccnc1[C@H](NCc1cc2c(s1)CC[NH2+]C2)C(C)(C)C ZINC000904469455 1032067848 /nfs/dbraw/zinc/06/78/48/1032067848.db2.gz MTWGKZQROMOXJD-SFHVURJKSA-N 1 3 329.513 3.974 20 0 EHADHO c1ccc2c(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccnc2c1 ZINC000904475689 1032070529 /nfs/dbraw/zinc/07/05/29/1032070529.db2.gz POZMSUFDGSMAOI-IFMALSPDSA-N 1 3 345.446 3.580 20 0 EHADHO Cc1cc(F)ccc1CN(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683109171 1014336247 /nfs/dbraw/zinc/33/62/47/1014336247.db2.gz PKNIBKXUWCVQQF-UHFFFAOYSA-N 1 3 330.447 3.707 20 0 EHADHO Cc1ccc(CN(CCC[NH3+])Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000339409453 1014372920 /nfs/dbraw/zinc/37/29/20/1014372920.db2.gz YVYNYKPMVAFQGQ-UHFFFAOYSA-N 1 3 348.494 3.747 20 0 EHADHO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437326 1014451725 /nfs/dbraw/zinc/45/17/25/1014451725.db2.gz NPXJKQCDFIGDEA-LJQANCHMSA-N 1 3 329.875 3.806 20 0 EHADHO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437326 1014451730 /nfs/dbraw/zinc/45/17/30/1014451730.db2.gz NPXJKQCDFIGDEA-LJQANCHMSA-N 1 3 329.875 3.806 20 0 EHADHO C[C@@H](NCc1ccc2cnn(C)c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579779397 1014462340 /nfs/dbraw/zinc/46/23/40/1014462340.db2.gz XASHQXHTCQNRFP-DYESRHJHSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H](NCc1ccc2cnn(C)c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579779397 1014462351 /nfs/dbraw/zinc/46/23/51/1014462351.db2.gz XASHQXHTCQNRFP-DYESRHJHSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579779397 1014462361 /nfs/dbraw/zinc/46/23/61/1014462361.db2.gz XASHQXHTCQNRFP-DYESRHJHSA-N 1 3 348.494 3.574 20 0 EHADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000339490969 1014579196 /nfs/dbraw/zinc/57/91/96/1014579196.db2.gz SWQCCUSWVZTSOW-AZUAARDMSA-N 1 3 330.516 3.551 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000129296541 1015999129 /nfs/dbraw/zinc/99/91/29/1015999129.db2.gz GLLLBPLBGKBRDW-UHFFFAOYSA-N 1 3 344.421 3.730 20 0 EHADHO CC(C)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000538098481 1032139648 /nfs/dbraw/zinc/13/96/48/1032139648.db2.gz HERWJIGPOHYXSX-PBHICJAKSA-N 1 3 345.314 3.737 20 0 EHADHO Cn1cccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000119139781 1016462270 /nfs/dbraw/zinc/46/22/70/1016462270.db2.gz CJKFZTMSUZXHFJ-UHFFFAOYSA-N 1 3 331.891 3.680 20 0 EHADHO CC(C)N(C)C[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001167259314 1016837438 /nfs/dbraw/zinc/83/74/38/1016837438.db2.gz PRCQAYUUKNCOTI-QGZVFWFLSA-N 1 3 346.437 3.617 20 0 EHADHO CC(C)N(C)C[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001167259314 1016837441 /nfs/dbraw/zinc/83/74/41/1016837441.db2.gz PRCQAYUUKNCOTI-QGZVFWFLSA-N 1 3 346.437 3.617 20 0 EHADHO Cc1nc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cs1 ZINC000449074107 1032161931 /nfs/dbraw/zinc/16/19/31/1032161931.db2.gz OUJSYZAJZDNNOC-MRXNPFEDSA-N 1 3 343.540 3.679 20 0 EHADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)c(Br)c1 ZINC000037197206 1122173428 /nfs/dbraw/zinc/17/34/28/1122173428.db2.gz WOCKDSLETMSFPC-LLVKDONJSA-N 1 3 331.273 3.827 20 0 EHADHO C[C@H](NCc1ccccc1N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000536860124 1032359381 /nfs/dbraw/zinc/35/93/81/1032359381.db2.gz YSYXLRNGKMCZIM-KRWDZBQOSA-N 1 3 341.499 3.544 20 0 EHADHO COc1cc(C)ccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536865207 1032364842 /nfs/dbraw/zinc/36/48/42/1032364842.db2.gz WITCKSCCEVHTJH-KURKYZTESA-N 1 3 334.504 3.544 20 0 EHADHO COc1cc(C)ccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536865187 1032365498 /nfs/dbraw/zinc/36/54/98/1032365498.db2.gz WITCKSCCEVHTJH-BZSNNMDCSA-N 1 3 334.504 3.544 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)[C@H](C)C1 ZINC000536882750 1032387925 /nfs/dbraw/zinc/38/79/25/1032387925.db2.gz MSGOTHOTVNWFRY-VQIMIIECSA-N 1 3 346.515 3.837 20 0 EHADHO C[C@@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1cc[nH]c(=O)c1 ZINC000449342126 1032456847 /nfs/dbraw/zinc/45/68/47/1032456847.db2.gz ZEOHGTNERLDNEG-DLBZAZTESA-N 1 3 339.483 3.533 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccnc1 ZINC000091319397 1032685150 /nfs/dbraw/zinc/68/51/50/1032685150.db2.gz IEOWEWMSPHJOIE-IFMALSPDSA-N 1 3 337.511 3.933 20 0 EHADHO Cc1ccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000091399170 1032692479 /nfs/dbraw/zinc/69/24/79/1032692479.db2.gz QPIVTJCCCQYQPN-FKBYEOEOSA-N 1 3 342.527 3.804 20 0 EHADHO C[C@@H](CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000377186974 1017395705 /nfs/dbraw/zinc/39/57/05/1017395705.db2.gz CSDXRNOFFWNUNG-FQEVSTJZSA-N 1 3 343.559 3.530 20 0 EHADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123278041 1018234573 /nfs/dbraw/zinc/23/45/73/1018234573.db2.gz ODYWZVDTICEATR-CJNGLKHVSA-N 1 3 333.863 3.910 20 0 EHADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccc(Cl)cc3)no2)CCN1C ZINC000123278041 1018234585 /nfs/dbraw/zinc/23/45/85/1018234585.db2.gz ODYWZVDTICEATR-CJNGLKHVSA-N 1 3 333.863 3.910 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000155766010 1019524272 /nfs/dbraw/zinc/52/42/72/1019524272.db2.gz DVQUAELUQDNBSE-LAUBAEHRSA-N 1 3 340.515 3.893 20 0 EHADHO CC[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000155766010 1019524283 /nfs/dbraw/zinc/52/42/83/1019524283.db2.gz DVQUAELUQDNBSE-LAUBAEHRSA-N 1 3 340.515 3.893 20 0 EHADHO Cc1cc(F)ncc1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000894225119 1019633139 /nfs/dbraw/zinc/63/31/39/1019633139.db2.gz ABBSTIHYXGDZAV-FQEVSTJZSA-N 1 3 327.447 3.531 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179216 1021046535 /nfs/dbraw/zinc/04/65/35/1021046535.db2.gz FXAXDJAJEGIAQZ-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179216 1021046538 /nfs/dbraw/zinc/04/65/38/1021046538.db2.gz FXAXDJAJEGIAQZ-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000341179216 1021046543 /nfs/dbraw/zinc/04/65/43/1021046543.db2.gz FXAXDJAJEGIAQZ-DYVFJYSZSA-N 1 3 337.305 3.758 20 0 EHADHO C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000564911777 1021641242 /nfs/dbraw/zinc/64/12/42/1021641242.db2.gz LIQZAYZGCQALCG-OALUTQOASA-N 1 3 329.532 3.756 20 0 EHADHO Cc1ccc2ccccc2c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441195533 1022046939 /nfs/dbraw/zinc/04/69/39/1022046939.db2.gz KZZODBMSEHDMQB-BVYCBKJFSA-N 1 3 338.495 3.832 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166562 1022085480 /nfs/dbraw/zinc/08/54/80/1022085480.db2.gz JDWLUBGHTIPIMQ-HUUCEWRRSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000517166562 1022085497 /nfs/dbraw/zinc/08/54/97/1022085497.db2.gz JDWLUBGHTIPIMQ-HUUCEWRRSA-N 1 3 344.421 3.857 20 0 EHADHO CCCOc1c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1OCC ZINC000579230280 1022104364 /nfs/dbraw/zinc/10/43/64/1022104364.db2.gz GSICVNSTTSYISQ-GOSISDBHSA-N 1 3 346.515 3.696 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCc1ccc2ccccc2c1 ZINC000441261166 1022107640 /nfs/dbraw/zinc/10/76/40/1022107640.db2.gz HINQOONIZSZRDY-BHIFYINESA-N 1 3 338.495 3.566 20 0 EHADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000518076915 1022971912 /nfs/dbraw/zinc/97/19/12/1022971912.db2.gz PNZVDACAVPKGHJ-IEBWSBKVSA-N 1 3 344.547 3.833 20 0 EHADHO COc1ccc(C)cc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000518350093 1023238000 /nfs/dbraw/zinc/23/80/00/1023238000.db2.gz HLATZFSVBOTBTI-UHFFFAOYSA-N 1 3 330.516 3.933 20 0 EHADHO C[C@@H]1C[C@@H](NCCc2cncs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018328 1023957364 /nfs/dbraw/zinc/95/73/64/1023957364.db2.gz CXNSDXXBXNIHOO-ALXJQNPVSA-N 1 3 329.513 3.717 20 0 EHADHO C[C@@H]1C[C@@H](NCCc2cncs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018328 1023957372 /nfs/dbraw/zinc/95/73/72/1023957372.db2.gz CXNSDXXBXNIHOO-ALXJQNPVSA-N 1 3 329.513 3.717 20 0 EHADHO CC(C)(C)OC(=O)C[C@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003208 1024105072 /nfs/dbraw/zinc/10/50/72/1024105072.db2.gz KAFQHXLGHBRZTI-KAKFPZCNSA-N 1 3 348.531 3.588 20 0 EHADHO CC(C)(C)OC(=O)C[C@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003208 1024105082 /nfs/dbraw/zinc/10/50/82/1024105082.db2.gz KAFQHXLGHBRZTI-KAKFPZCNSA-N 1 3 348.531 3.588 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000414848988 1024211217 /nfs/dbraw/zinc/21/12/17/1024211217.db2.gz WWSUURFEBWMHTB-INIZCTEOSA-N 1 3 331.504 3.778 20 0 EHADHO CO[C@H]1C[C@H](C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC000895540095 1024600251 /nfs/dbraw/zinc/60/02/51/1024600251.db2.gz RUPFDVPFMGAWTA-ONTIZHBOSA-N 1 3 344.543 3.939 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C)C[C@H](C)N1Cc1ccccc1 ZINC001168008504 1024605355 /nfs/dbraw/zinc/60/53/55/1024605355.db2.gz FFIATPLGQUXSSS-KOUHRCEDSA-N 1 3 329.532 3.502 20 0 EHADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CC4(C3)COC(C)(C)C4)CC2)C1 ZINC000897973306 1033247774 /nfs/dbraw/zinc/24/77/74/1033247774.db2.gz QQYWFAHHIYMHNJ-WHMCQKABSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1C[C@@H](NCCC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011795 1025022333 /nfs/dbraw/zinc/02/23/33/1025022333.db2.gz SLPGMRDVFIGIIG-IZZQQSIFSA-N 1 3 346.515 3.749 20 0 EHADHO C[C@@H]1C[C@@H](NCCC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011795 1025022345 /nfs/dbraw/zinc/02/23/45/1025022345.db2.gz SLPGMRDVFIGIIG-IZZQQSIFSA-N 1 3 346.515 3.749 20 0 EHADHO C[C@@H]1CC([NH+]2CCC3(CCOC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039983 1025268297 /nfs/dbraw/zinc/26/82/97/1025268297.db2.gz JJIJJIVPYVVTMT-RTBURBONSA-N 1 3 342.527 3.931 20 0 EHADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000366950328 1025336841 /nfs/dbraw/zinc/33/68/41/1025336841.db2.gz FSWHCFKYBFLXJY-XMSQKQJNSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000366950328 1025336853 /nfs/dbraw/zinc/33/68/53/1025336853.db2.gz FSWHCFKYBFLXJY-XMSQKQJNSA-N 1 3 338.495 3.742 20 0 EHADHO COc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OCC(C)C ZINC000582122659 1025354324 /nfs/dbraw/zinc/35/43/24/1025354324.db2.gz VGHZHCROTCEWBZ-IBGZPJMESA-N 1 3 346.515 3.552 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436231557 1025480178 /nfs/dbraw/zinc/48/01/78/1025480178.db2.gz GDDUHNBXBKHYHP-UHFFFAOYSA-N 1 3 340.496 3.880 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436231557 1025480187 /nfs/dbraw/zinc/48/01/87/1025480187.db2.gz GDDUHNBXBKHYHP-UHFFFAOYSA-N 1 3 340.496 3.880 20 0 EHADHO Cc1csc(C[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC000451206953 1025676769 /nfs/dbraw/zinc/67/67/69/1025676769.db2.gz IBKGALRXIZYTJB-UHFFFAOYSA-N 1 3 349.931 3.752 20 0 EHADHO CCC1(CNCc2nc(C)c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000657417125 1026137753 /nfs/dbraw/zinc/13/77/53/1026137753.db2.gz UKKAUAFRQKJCKK-UHFFFAOYSA-N 1 3 326.488 3.500 20 0 EHADHO FC(F)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000475208930 1026389037 /nfs/dbraw/zinc/38/90/37/1026389037.db2.gz BMQGRYSUIWPKTA-FGTMMUONSA-N 1 3 334.454 3.922 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cc(C)ccc1C ZINC000626020393 1026617314 /nfs/dbraw/zinc/61/73/14/1026617314.db2.gz JPCZCTMZGXUXOQ-OAQYLSRUSA-N 1 3 331.548 3.760 20 0 EHADHO CC(C)N1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000531684897 1027209752 /nfs/dbraw/zinc/20/97/52/1027209752.db2.gz GTZPYSGEDSGUAT-UHFFFAOYSA-N 1 3 342.483 3.959 20 0 EHADHO Cc1ncsc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453093309 1027352891 /nfs/dbraw/zinc/35/28/91/1027352891.db2.gz FSJCFIUXDVOAEH-GUDVDZBRSA-N 1 3 341.524 3.984 20 0 EHADHO C[C@H]1CC[C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2sccc21 ZINC000453175890 1027455923 /nfs/dbraw/zinc/45/59/23/1027455923.db2.gz MIJSPAVVXNOPOX-YOEHRIQHSA-N 1 3 345.512 3.812 20 0 EHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326686 1027479114 /nfs/dbraw/zinc/47/91/14/1027479114.db2.gz KHXFIBKOCBDUFM-BPQIPLTHSA-N 1 3 325.456 3.724 20 0 EHADHO Fc1cc([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)ccc1Br ZINC000420374067 1027513824 /nfs/dbraw/zinc/51/38/24/1027513824.db2.gz NBTVWXDCQLSPLT-MLGOLLRUSA-N 1 3 341.268 3.725 20 0 EHADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422758273 1027899760 /nfs/dbraw/zinc/89/97/60/1027899760.db2.gz JGGMWRLAOQCHBB-ZGXWSNOMSA-N 1 3 345.506 3.613 20 0 EHADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422758268 1027900491 /nfs/dbraw/zinc/90/04/91/1027900491.db2.gz JGGMWRLAOQCHBB-MTQWCTHYSA-N 1 3 345.506 3.613 20 0 EHADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777982 1027932369 /nfs/dbraw/zinc/93/23/69/1027932369.db2.gz DFOGFKFDOXBBJJ-RTBURBONSA-N 1 3 335.923 3.554 20 0 EHADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422777982 1027932385 /nfs/dbraw/zinc/93/23/85/1027932385.db2.gz DFOGFKFDOXBBJJ-RTBURBONSA-N 1 3 335.923 3.554 20 0 EHADHO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775641 1027933217 /nfs/dbraw/zinc/93/32/17/1027933217.db2.gz AYDKFEFXGHUCHB-GJZGRUSLSA-N 1 3 327.472 3.702 20 0 EHADHO Cc1cc(C)c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422786894 1027938612 /nfs/dbraw/zinc/93/86/12/1027938612.db2.gz TVJCDJCIMQYHTG-RBBKRZOGSA-N 1 3 336.479 3.957 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCSc1ccc(F)cc1 ZINC000422763553 1027946770 /nfs/dbraw/zinc/94/67/70/1027946770.db2.gz OVLNVNJKIJVLOG-HNAYVOBHSA-N 1 3 332.488 3.856 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)c1ccsc1 ZINC000422869328 1027986252 /nfs/dbraw/zinc/98/62/52/1027986252.db2.gz XIDIMGLVVNZINU-PWIZWCRZSA-N 1 3 345.556 3.679 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422851557 1027989117 /nfs/dbraw/zinc/98/91/17/1027989117.db2.gz XEPGMMKRCKRGOT-AWEZNQCLSA-N 1 3 327.447 3.760 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422861481 1027996262 /nfs/dbraw/zinc/99/62/62/1027996262.db2.gz MTAUBPVNBUBRHH-AVRDEDQJSA-N 1 3 338.495 3.881 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cnccc1N ZINC000422883310 1028017621 /nfs/dbraw/zinc/01/76/21/1028017621.db2.gz QLEANGNFFTVSGR-DLBZAZTESA-N 1 3 338.499 3.577 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cnccc1N ZINC000422883310 1028017631 /nfs/dbraw/zinc/01/76/31/1028017631.db2.gz QLEANGNFFTVSGR-DLBZAZTESA-N 1 3 338.499 3.577 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422900713 1028036607 /nfs/dbraw/zinc/03/66/07/1028036607.db2.gz QXFMAFQIAFHSIE-MAUKXSAKSA-N 1 3 329.419 3.620 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422909685 1028042601 /nfs/dbraw/zinc/04/26/01/1028042601.db2.gz ORTKBBNHEIVUBU-AWEZNQCLSA-N 1 3 327.497 3.824 20 0 EHADHO COc1ccc(C[C@H](N[C@H](C)C[C@@H](C)[NH3+])c2ccccc2)cc1OC ZINC000422913127 1028046781 /nfs/dbraw/zinc/04/67/81/1028046781.db2.gz XVXHKARWXNWOTB-MDZRGWNJSA-N 1 3 342.483 3.703 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000422930217 1028057477 /nfs/dbraw/zinc/05/74/77/1028057477.db2.gz SKCCMBNVXAPGBZ-OAHLLOKOSA-N 1 3 341.499 3.876 20 0 EHADHO C[C@@H]([NH3+])C[C@H](C)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000422994721 1028103338 /nfs/dbraw/zinc/10/33/38/1028103338.db2.gz IOTIPRKVNYNGAZ-CABCVRRESA-N 1 3 332.438 3.834 20 0 EHADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC000246311850 1028201962 /nfs/dbraw/zinc/20/19/62/1028201962.db2.gz DUNDYKFPCXKHPF-YPAWHYETSA-N 1 3 342.527 3.812 20 0 EHADHO C[C@H](N[C@H]1CCCc2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423215877 1028281082 /nfs/dbraw/zinc/28/10/82/1028281082.db2.gz NSZAJWIZXZWONL-QEORTHHSSA-N 1 3 337.305 3.804 20 0 EHADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000423219427 1028284942 /nfs/dbraw/zinc/28/49/42/1028284942.db2.gz WQAJDSHGWXRYKE-YNEHKIRRSA-N 1 3 331.287 3.738 20 0 EHADHO COCCc1nc(C)c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000423291233 1028329229 /nfs/dbraw/zinc/32/92/29/1028329229.db2.gz HKUPEHPADVMWMY-STQMWFEESA-N 1 3 333.501 3.511 20 0 EHADHO C[C@@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000414730537 1028333827 /nfs/dbraw/zinc/33/38/27/1028333827.db2.gz DSWPKNOHRMZEGL-XJKSGUPXSA-N 1 3 325.294 3.627 20 0 EHADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000423365980 1028391453 /nfs/dbraw/zinc/39/14/53/1028391453.db2.gz BITUASBVKCAHLE-MBNYWOFBSA-N 1 3 341.318 3.846 20 0 EHADHO Cc1cc([C@@H](NCCC[C@@H]2CCC[NH2+]2)c2cccnc2)ccc1F ZINC000423480017 1028462369 /nfs/dbraw/zinc/46/23/69/1028462369.db2.gz MQLTUETWWDXDCI-AZUAARDMSA-N 1 3 327.447 3.740 20 0 EHADHO NC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423520311 1028494841 /nfs/dbraw/zinc/49/48/41/1028494841.db2.gz FEEPJWKAWMXJJT-CCDXNHEYSA-N 1 3 330.438 3.851 20 0 EHADHO COc1ncc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423520176 1028495786 /nfs/dbraw/zinc/49/57/86/1028495786.db2.gz QZGXSQKSURJEHC-CXAGYDPISA-N 1 3 333.863 3.874 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516532 /nfs/dbraw/zinc/51/65/32/1028516532.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 1 3 326.406 3.664 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516547 /nfs/dbraw/zinc/51/65/47/1028516547.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 1 3 326.406 3.664 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516554 /nfs/dbraw/zinc/51/65/54/1028516554.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 1 3 326.406 3.664 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000628190954 1028516565 /nfs/dbraw/zinc/51/65/65/1028516565.db2.gz VQRLWNJTFFGWMH-NVXWUHKLSA-N 1 3 326.406 3.664 20 0 EHADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247074143 1028742695 /nfs/dbraw/zinc/74/26/95/1028742695.db2.gz OLEWJPUFDMYDJX-SJLPKXTDSA-N 1 3 326.488 3.563 20 0 EHADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000247074143 1028742703 /nfs/dbraw/zinc/74/27/03/1028742703.db2.gz OLEWJPUFDMYDJX-SJLPKXTDSA-N 1 3 326.488 3.563 20 0 EHADHO COc1ccc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C(C)C)c(F)c1 ZINC000421819197 1028835227 /nfs/dbraw/zinc/83/52/27/1028835227.db2.gz FQUMTCSAGLBWEJ-FQEVSTJZSA-N 1 3 334.479 3.995 20 0 EHADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1ncc(Br)cc1F ZINC000421868511 1028901292 /nfs/dbraw/zinc/90/12/92/1028901292.db2.gz CMEAHZOQMHFEAR-QFWMXSHPSA-N 1 3 344.272 3.507 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424325671 1028972846 /nfs/dbraw/zinc/97/28/46/1028972846.db2.gz XZSVIVKPZXUDAE-KURKYZTESA-N 1 3 329.513 3.889 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414791281 1029096723 /nfs/dbraw/zinc/09/67/23/1029096723.db2.gz BDQPAUOPRZMDHB-SOLBZPMBSA-N 1 3 331.504 3.634 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161764006 1029286282 /nfs/dbraw/zinc/28/62/82/1029286282.db2.gz UQRNRNGEEVIUKS-MRXNPFEDSA-N 1 3 343.515 3.689 20 0 EHADHO CCCN1CCC([NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000125036991 1029400920 /nfs/dbraw/zinc/40/09/20/1029400920.db2.gz WFCSTLKBSDTCTP-SFHVURJKSA-N 1 3 329.532 3.676 20 0 EHADHO CN(Cc1ccc2[nH]cnc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628420 1029940609 /nfs/dbraw/zinc/94/06/09/1029940609.db2.gz GWXPOIARVXRDCN-IBGZPJMESA-N 1 3 334.467 3.517 20 0 EHADHO CN(Cc1ccc2[nH]cnc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628420 1029940613 /nfs/dbraw/zinc/94/06/13/1029940613.db2.gz GWXPOIARVXRDCN-IBGZPJMESA-N 1 3 334.467 3.517 20 0 EHADHO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453297504 1030046426 /nfs/dbraw/zinc/04/64/26/1030046426.db2.gz ZIGNCWNLYFGRCQ-FVTFTPSCSA-N 1 3 344.543 3.818 20 0 EHADHO C[C@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)[C@@H]1CC[NH3+] ZINC000650711963 1030067598 /nfs/dbraw/zinc/06/75/98/1030067598.db2.gz LBZUCXFHDDPARM-LAUBAEHRSA-N 1 3 339.483 3.610 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447538850 1030272989 /nfs/dbraw/zinc/27/29/89/1030272989.db2.gz DPRQFVXDQYBKSX-NHCUHLMSSA-N 1 3 330.516 3.962 20 0 EHADHO C[C@H](NCCN1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420136 1030437612 /nfs/dbraw/zinc/43/76/12/1030437612.db2.gz VBXIRDQQXTYTDY-AZUAARDMSA-N 1 3 341.543 3.682 20 0 EHADHO C[C@H](NCCN1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420136 1030437618 /nfs/dbraw/zinc/43/76/18/1030437618.db2.gz VBXIRDQQXTYTDY-AZUAARDMSA-N 1 3 341.543 3.682 20 0 EHADHO Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482453480 1030438627 /nfs/dbraw/zinc/43/86/27/1030438627.db2.gz VUHHIBFELSMNFN-XMSQKQJNSA-N 1 3 338.470 3.967 20 0 EHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226269 1030492570 /nfs/dbraw/zinc/49/25/70/1030492570.db2.gz SFHIIMRPVIWQFZ-KBPBESRZSA-N 1 3 330.394 3.620 20 0 EHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000532226269 1030492580 /nfs/dbraw/zinc/49/25/80/1030492580.db2.gz SFHIIMRPVIWQFZ-KBPBESRZSA-N 1 3 330.394 3.620 20 0 EHADHO Cc1cc(C)c([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000482565165 1030542646 /nfs/dbraw/zinc/54/26/46/1030542646.db2.gz XEMXHOJHURZAIF-LJQANCHMSA-N 1 3 330.516 3.907 20 0 EHADHO C[C@H](CN1CCC(CC[NH3+])CC1)c1cccc(Br)c1 ZINC000565061634 1030597055 /nfs/dbraw/zinc/59/70/55/1030597055.db2.gz VQISRGHIGMTZLL-CYBMUJFWSA-N 1 3 325.294 3.613 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070576 1030940687 /nfs/dbraw/zinc/94/06/87/1030940687.db2.gz GLJVKHQDGFIVKB-WBMJQRKESA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(Br)c2)C[C@H]1C ZINC000483070576 1030940703 /nfs/dbraw/zinc/94/07/03/1030940703.db2.gz GLJVKHQDGFIVKB-WBMJQRKESA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000527648299 1031076881 /nfs/dbraw/zinc/07/68/81/1031076881.db2.gz WEJSZJZRWZIMBL-ZDUSSCGKSA-N 1 3 330.394 3.536 20 0 EHADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995096 1031449638 /nfs/dbraw/zinc/44/96/38/1031449638.db2.gz DGOSEIDZVONCKV-GOEBONIOSA-N 1 3 338.442 3.873 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000527929254 1031492041 /nfs/dbraw/zinc/49/20/41/1031492041.db2.gz PHGVHHXPNUALAM-MBDNFAEBSA-N 1 3 342.527 3.693 20 0 EHADHO COc1ccc(-c2csc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000484489463 1031612055 /nfs/dbraw/zinc/61/20/55/1031612055.db2.gz WQPMOPWWWSODFZ-AUUYWEPGSA-N 1 3 330.497 3.854 20 0 EHADHO COc1ccc(-c2csc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000484489463 1031612065 /nfs/dbraw/zinc/61/20/65/1031612065.db2.gz WQPMOPWWWSODFZ-AUUYWEPGSA-N 1 3 330.497 3.854 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@@H](N(C)C)C(F)(F)F)CC2)C1 ZINC000926959932 1031968212 /nfs/dbraw/zinc/96/82/12/1031968212.db2.gz DBHPBQNRZOCKDA-HYVNUMGLSA-N 1 3 349.485 3.502 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](CCC3CCCCCC3)CC2)CC1 ZINC000685419871 1033309840 /nfs/dbraw/zinc/30/98/40/1033309840.db2.gz GTTBJSZVGUNKIB-UHFFFAOYSA-N 1 3 335.580 3.837 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](CCCC3CCCCC3)CC2)CC1 ZINC000685419913 1033310122 /nfs/dbraw/zinc/31/01/22/1033310122.db2.gz LWYUAJVVHFAWOH-UHFFFAOYSA-N 1 3 335.580 3.837 20 0 EHADHO FC(F)C1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000658165385 1034030081 /nfs/dbraw/zinc/03/00/81/1034030081.db2.gz JEQOGHIYAWFINF-UHFFFAOYSA-N 1 3 337.458 3.707 20 0 EHADHO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658236629 1034105384 /nfs/dbraw/zinc/10/53/84/1034105384.db2.gz KCOPZFHPWHSBGE-NBCNXNJRSA-N 1 3 336.479 3.880 20 0 EHADHO C[C@H](O)[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000658361908 1034244240 /nfs/dbraw/zinc/24/42/40/1034244240.db2.gz PLXOPAMPPPZFEV-GPHNJDIKSA-N 1 3 338.495 3.609 20 0 EHADHO Cc1cccc(CCCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000375850688 1034719557 /nfs/dbraw/zinc/71/95/57/1034719557.db2.gz JRMFMAUJKZCNSC-UTKZUKDTSA-N 1 3 329.532 3.955 20 0 EHADHO C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492355709 1035692569 /nfs/dbraw/zinc/69/25/69/1035692569.db2.gz YPZYQMKXELOFEQ-TZIWHRDSSA-N 1 3 337.511 3.623 20 0 EHADHO C[C@H](c1ccc(Br)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152361623 1035759473 /nfs/dbraw/zinc/75/94/73/1035759473.db2.gz HUPQJOHQPJXQHS-ZIAGYGMSSA-N 1 3 325.294 3.784 20 0 EHADHO C[C@H](c1ccc(Br)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152361623 1035759487 /nfs/dbraw/zinc/75/94/87/1035759487.db2.gz HUPQJOHQPJXQHS-ZIAGYGMSSA-N 1 3 325.294 3.784 20 0 EHADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CO)cc1 ZINC000282472012 1035808455 /nfs/dbraw/zinc/80/84/55/1035808455.db2.gz KUGACSLPGOCOQK-OAQYLSRUSA-N 1 3 338.495 3.569 20 0 EHADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CO)cc1 ZINC000282472012 1035808476 /nfs/dbraw/zinc/80/84/76/1035808476.db2.gz KUGACSLPGOCOQK-OAQYLSRUSA-N 1 3 338.495 3.569 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Br ZINC000414171281 1035876301 /nfs/dbraw/zinc/87/63/01/1035876301.db2.gz DBXMHRUHRNVYLF-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Br ZINC000414171281 1035876321 /nfs/dbraw/zinc/87/63/21/1035876321.db2.gz DBXMHRUHRNVYLF-QWHCGFSZSA-N 1 3 343.284 3.971 20 0 EHADHO CC1CC[NH+](CCCCNCc2cnc(CC(F)(F)F)s2)CC1 ZINC000892588938 1036358587 /nfs/dbraw/zinc/35/85/87/1036358587.db2.gz LBRDJCNYFHFYST-UHFFFAOYSA-N 1 3 349.466 3.850 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000414303822 1036545658 /nfs/dbraw/zinc/54/56/58/1036545658.db2.gz DSCHBPDCTNGFQB-MMOPVJDHSA-N 1 3 348.506 3.534 20 0 EHADHO CC[C@H](C)Oc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000647542206 1037071374 /nfs/dbraw/zinc/07/13/74/1037071374.db2.gz YILFKUYUOOXPSF-LPHOPBHVSA-N 1 3 346.515 3.694 20 0 EHADHO Cn1cc(CNCc2cccc(C[NH+](C)C)c2)c(-c2cccs2)n1 ZINC000093947144 1037233531 /nfs/dbraw/zinc/23/35/31/1037233531.db2.gz YIXAMGRSCXUEMQ-UHFFFAOYSA-N 1 3 340.496 3.500 20 0 EHADHO C[N@H+](CCc1cccc(F)c1F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000542280619 1037242253 /nfs/dbraw/zinc/24/22/53/1037242253.db2.gz SAEIBLCCOFTWMZ-GOSISDBHSA-N 1 3 344.449 3.961 20 0 EHADHO C[N@@H+](CCc1cccc(F)c1F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000542280619 1037242268 /nfs/dbraw/zinc/24/22/68/1037242268.db2.gz SAEIBLCCOFTWMZ-GOSISDBHSA-N 1 3 344.449 3.961 20 0 EHADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183145668 1037933113 /nfs/dbraw/zinc/93/31/13/1037933113.db2.gz FUKQKQKHRNXPRP-PCCBWWKXSA-N 1 3 344.543 3.675 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CO1 ZINC000659980712 1038599632 /nfs/dbraw/zinc/59/96/32/1038599632.db2.gz YLUJEGJPVGZVJG-TZIWHRDSSA-N 1 3 328.500 3.542 20 0 EHADHO CC1(C)C[C@@H](N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CO1 ZINC000659980712 1038599637 /nfs/dbraw/zinc/59/96/37/1038599637.db2.gz YLUJEGJPVGZVJG-TZIWHRDSSA-N 1 3 328.500 3.542 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000539042432 1038650781 /nfs/dbraw/zinc/65/07/81/1038650781.db2.gz HMACHRFEVPBKAU-HRAATJIYSA-N 1 3 342.458 3.835 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000539042432 1038650789 /nfs/dbraw/zinc/65/07/89/1038650789.db2.gz HMACHRFEVPBKAU-HRAATJIYSA-N 1 3 342.458 3.835 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000539071457 1038670459 /nfs/dbraw/zinc/67/04/59/1038670459.db2.gz IIJOBEVJGLQCJY-KJNZLNQQSA-N 1 3 348.506 3.941 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CC4CCOCC4)[C@H]3C2)cc1 ZINC000552047777 1038914716 /nfs/dbraw/zinc/91/47/16/1038914716.db2.gz XVYXQDWDIBIFBW-FDFHNCONSA-N 1 3 342.527 3.693 20 0 EHADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000282538403 1039136805 /nfs/dbraw/zinc/13/68/05/1039136805.db2.gz WDZUWKHQNQMYTD-OAQYLSRUSA-N 1 3 343.559 3.751 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000549686832 1039680752 /nfs/dbraw/zinc/68/07/52/1039680752.db2.gz CIVHQEOPJTVPOK-FHWLQOOXSA-N 1 3 338.536 3.743 20 0 EHADHO CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565609 1039704867 /nfs/dbraw/zinc/70/48/67/1039704867.db2.gz WDXWCYOIWVSPNE-NJYVYQBISA-N 1 3 342.527 3.931 20 0 EHADHO CC1(C)CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)O1 ZINC000480565609 1039704877 /nfs/dbraw/zinc/70/48/77/1039704877.db2.gz WDXWCYOIWVSPNE-NJYVYQBISA-N 1 3 342.527 3.931 20 0 EHADHO C[NH+]1CCC2(CCCN2Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000893855218 1039753582 /nfs/dbraw/zinc/75/35/82/1039753582.db2.gz FSIATWXXOAQSHG-UHFFFAOYSA-N 1 3 337.467 3.934 20 0 EHADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512629639 1040333422 /nfs/dbraw/zinc/33/34/22/1040333422.db2.gz JRMVZWZMOFBJKF-MBMVPVEPSA-N 1 3 342.527 3.834 20 0 EHADHO Cc1cnccc1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563531746 1040343303 /nfs/dbraw/zinc/34/33/03/1040343303.db2.gz MCAVLMHHAVQUEL-DENIHFKCSA-N 1 3 337.511 3.917 20 0 EHADHO Cc1cnccc1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563531746 1040343313 /nfs/dbraw/zinc/34/33/13/1040343313.db2.gz MCAVLMHHAVQUEL-DENIHFKCSA-N 1 3 337.511 3.917 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)C(F)(F)F)CC1 ZINC000479608999 1040427389 /nfs/dbraw/zinc/42/73/89/1040427389.db2.gz YQKWXVFBKWKXBV-OAHLLOKOSA-N 1 3 343.437 3.507 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(C)C ZINC000512660145 1040443624 /nfs/dbraw/zinc/44/36/24/1040443624.db2.gz LJJPKECXXLVMBV-PLACYPQZSA-N 1 3 330.516 3.548 20 0 EHADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CO)CC3(CCC3)C2)CC1 ZINC000433087321 1040698805 /nfs/dbraw/zinc/69/88/05/1040698805.db2.gz IOMFKTBQZHKPFD-PKOBYXMFSA-N 1 3 334.548 3.562 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157171116 1040764160 /nfs/dbraw/zinc/76/41/60/1040764160.db2.gz PYZZUBHUZCNANB-WBVHZDCISA-N 1 3 342.405 3.544 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(CCc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000157171116 1040764172 /nfs/dbraw/zinc/76/41/72/1040764172.db2.gz PYZZUBHUZCNANB-WBVHZDCISA-N 1 3 342.405 3.544 20 0 EHADHO Cc1nc2c(s1)[C@@H](N(C)Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662263630 1042640800 /nfs/dbraw/zinc/64/08/00/1042640800.db2.gz OIVWTOYNRJQLLE-SFHVURJKSA-N 1 3 327.497 3.607 20 0 EHADHO CCn1c2ccc(F)cc2nc1CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317875 1042682968 /nfs/dbraw/zinc/68/29/68/1042682968.db2.gz UTXMMKIMQYTDOL-RHSMWYFYSA-N 1 3 332.467 3.535 20 0 EHADHO CCOc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000563135123 1042926693 /nfs/dbraw/zinc/92/66/93/1042926693.db2.gz GAJPHXBTGYXLOI-IRXDYDNUSA-N 1 3 342.483 3.880 20 0 EHADHO C[C@H]1CN(CCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432371259 1043017824 /nfs/dbraw/zinc/01/78/24/1043017824.db2.gz XUTYTXSTMIDLFA-ZDUSSCGKSA-N 1 3 331.287 3.584 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419327 1043153034 /nfs/dbraw/zinc/15/30/34/1043153034.db2.gz BCWKHILCWCIHAV-GJZGRUSLSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000432419327 1043153036 /nfs/dbraw/zinc/15/30/36/1043153036.db2.gz BCWKHILCWCIHAV-GJZGRUSLSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](Cc3cc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000512176571 1043645854 /nfs/dbraw/zinc/64/58/54/1043645854.db2.gz BBGWNNCJBZTJQC-CALCHBBNSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000512176571 1043645860 /nfs/dbraw/zinc/64/58/60/1043645860.db2.gz BBGWNNCJBZTJQC-CALCHBBNSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000512176571 1043645869 /nfs/dbraw/zinc/64/58/69/1043645869.db2.gz BBGWNNCJBZTJQC-CALCHBBNSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000062253180 1043845302 /nfs/dbraw/zinc/84/53/02/1043845302.db2.gz IRWCXVDSTCHLTP-ROUUACIJSA-N 1 3 326.484 3.819 20 0 EHADHO Cc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC001139730340 1043902054 /nfs/dbraw/zinc/90/20/54/1043902054.db2.gz SDDTVKKJDHTMLN-UHFFFAOYSA-N 1 3 337.305 3.675 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337346123 1044169674 /nfs/dbraw/zinc/16/96/74/1044169674.db2.gz VVKONEWJUOTBCM-RCLSDMTESA-N 1 3 345.531 3.587 20 0 EHADHO CC(C)[C@@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000279582061 1044251166 /nfs/dbraw/zinc/25/11/66/1044251166.db2.gz GWJLEJORHQBUGW-FCHUYYIVSA-N 1 3 343.559 3.528 20 0 EHADHO CC(C)[C@@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000279582061 1044251182 /nfs/dbraw/zinc/25/11/82/1044251182.db2.gz GWJLEJORHQBUGW-FCHUYYIVSA-N 1 3 343.559 3.528 20 0 EHADHO c1cc(CN(CCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432668587 1044658235 /nfs/dbraw/zinc/65/82/35/1044658235.db2.gz JSFFRUDXDKMDER-IBGZPJMESA-N 1 3 342.508 3.771 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CC1(C)C ZINC000623371157 1126932677 /nfs/dbraw/zinc/93/26/77/1126932677.db2.gz RQOWQZUUVVSHAZ-AWEZNQCLSA-N 1 3 329.257 3.551 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@H]3CC[N@@H+](C)C(C)(C)C3)co2)cc1 ZINC000623394594 1126943218 /nfs/dbraw/zinc/94/32/18/1126943218.db2.gz LCPQFMQCAGZDNC-KRWDZBQOSA-N 1 3 327.472 3.655 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@H]3CC[N@H+](C)C(C)(C)C3)co2)cc1 ZINC000623394594 1126943223 /nfs/dbraw/zinc/94/32/23/1126943223.db2.gz LCPQFMQCAGZDNC-KRWDZBQOSA-N 1 3 327.472 3.655 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528599 1126976371 /nfs/dbraw/zinc/97/63/71/1126976371.db2.gz VLRFSHYLXTZGJB-HKUYNNGSSA-N 1 3 328.500 3.543 20 0 EHADHO C[N@H+]1CC[C@H](N[C@H]2c3ccccc3CC23CCOCC3)CC1(C)C ZINC000623528599 1126976373 /nfs/dbraw/zinc/97/63/73/1126976373.db2.gz VLRFSHYLXTZGJB-HKUYNNGSSA-N 1 3 328.500 3.543 20 0 EHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccoc1 ZINC000178211696 1127012957 /nfs/dbraw/zinc/01/29/57/1127012957.db2.gz GEAIMPFSDDDAHF-LJQANCHMSA-N 1 3 341.499 3.528 20 0 EHADHO C[C@H]1C[C@H](NC2(c3cccc(Br)c3)CCC2)CC[N@@H+]1C ZINC000180430740 1127154950 /nfs/dbraw/zinc/15/49/50/1127154950.db2.gz LMKPLEKAOMDCJP-XJKSGUPXSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@H]1C[C@H](NC2(c3cccc(Br)c3)CCC2)CC[N@H+]1C ZINC000180430740 1127154951 /nfs/dbraw/zinc/15/49/51/1127154951.db2.gz LMKPLEKAOMDCJP-XJKSGUPXSA-N 1 3 337.305 3.901 20 0 EHADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123539 1127257159 /nfs/dbraw/zinc/25/71/59/1127257159.db2.gz NTPZFLAYBCJYQJ-LSDHHAIUSA-N 1 3 328.422 3.958 20 0 EHADHO CC[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000383321389 1127537371 /nfs/dbraw/zinc/53/73/71/1127537371.db2.gz BCMWAPAPKVUABM-IEBWSBKVSA-N 1 3 327.447 3.784 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347564792 1128094108 /nfs/dbraw/zinc/09/41/08/1128094108.db2.gz WNPZNUKKVIYZKC-INIZCTEOSA-N 1 3 349.478 3.917 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000347564792 1128094113 /nfs/dbraw/zinc/09/41/13/1128094113.db2.gz WNPZNUKKVIYZKC-INIZCTEOSA-N 1 3 349.478 3.917 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC001648785855 1120014617 /nfs/dbraw/zinc/01/46/17/1120014617.db2.gz IVNMCCOAHKLHFV-YADHBBJMSA-N 1 3 343.559 3.720 20 0 EHADHO CC(C)C1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC001648799800 1120040435 /nfs/dbraw/zinc/04/04/35/1120040435.db2.gz RLRSOEOFQHKCKC-UHFFFAOYSA-N 1 3 343.559 3.738 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495029776 1120935147 /nfs/dbraw/zinc/93/51/47/1120935147.db2.gz WXOQYRXZZLAOAZ-FFZOFVMBSA-N 1 3 334.479 3.757 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495029776 1120935149 /nfs/dbraw/zinc/93/51/49/1120935149.db2.gz WXOQYRXZZLAOAZ-FFZOFVMBSA-N 1 3 334.479 3.757 20 0 EHADHO CCc1nc2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C1CC1 ZINC000338778916 1128963849 /nfs/dbraw/zinc/96/38/49/1128963849.db2.gz FSHMBKAJEJBNCZ-ZBFHGGJFSA-N 1 3 326.488 3.506 20 0 EHADHO CCc1nc2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1C1CC1 ZINC000338778916 1128963851 /nfs/dbraw/zinc/96/38/51/1128963851.db2.gz FSHMBKAJEJBNCZ-ZBFHGGJFSA-N 1 3 326.488 3.506 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000037149909 1122144265 /nfs/dbraw/zinc/14/42/65/1122144265.db2.gz RXVVPTPHWFJBDJ-UHFFFAOYSA-N 1 3 325.294 3.803 20 0 EHADHO C[NH+](C)CCCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000123426025 1122175784 /nfs/dbraw/zinc/17/57/84/1122175784.db2.gz ARQLISJYNMPGBB-UHFFFAOYSA-N 1 3 327.472 3.895 20 0 EHADHO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCN1CCCCC1 ZINC000496968466 1122222092 /nfs/dbraw/zinc/22/20/92/1122222092.db2.gz MRVUYBIPROJLCM-QGZVFWFLSA-N 1 3 345.487 3.512 20 0 EHADHO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCN1CCCCC1 ZINC000496968466 1122222096 /nfs/dbraw/zinc/22/20/96/1122222096.db2.gz MRVUYBIPROJLCM-QGZVFWFLSA-N 1 3 345.487 3.512 20 0 EHADHO C[C@H](c1ccc(Cl)cc1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542594057 1122233581 /nfs/dbraw/zinc/23/35/81/1122233581.db2.gz DWQQPICQDTXQLO-QGZVFWFLSA-N 1 3 349.950 3.751 20 0 EHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125887366 1122353991 /nfs/dbraw/zinc/35/39/91/1122353991.db2.gz ADPRIIDCSQCJQU-KSSFIOAISA-N 1 3 345.531 3.933 20 0 EHADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1sccc1Br ZINC000130616120 1122973954 /nfs/dbraw/zinc/97/39/54/1122973954.db2.gz OJQIJIFJRRTWQH-LLVKDONJSA-N 1 3 331.323 3.893 20 0 EHADHO Cc1ncsc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499164562 1123258105 /nfs/dbraw/zinc/25/81/05/1123258105.db2.gz PBSSLLSDINNTIO-NNZMDNLPSA-N 1 3 327.497 3.737 20 0 EHADHO CC(C)(C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCCCC1 ZINC000152664544 1124017296 /nfs/dbraw/zinc/01/72/96/1124017296.db2.gz GSFARDIYZIHUKT-UHFFFAOYSA-N 1 3 343.559 3.548 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CCN1C ZINC000246866736 1124560306 /nfs/dbraw/zinc/56/03/06/1124560306.db2.gz DEMNFOAAMCPZOE-ATZDWAIDSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC[N@@H+]1C ZINC000246866736 1124560312 /nfs/dbraw/zinc/56/03/12/1124560312.db2.gz DEMNFOAAMCPZOE-ATZDWAIDSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC[N@H+]1C ZINC000246866736 1124560318 /nfs/dbraw/zinc/56/03/18/1124560318.db2.gz DEMNFOAAMCPZOE-ATZDWAIDSA-N 1 3 335.923 3.549 20 0 EHADHO Fc1ccc(SCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247049337 1124582367 /nfs/dbraw/zinc/58/23/67/1124582367.db2.gz ZFUIDVWPFSLXEC-HNAYVOBHSA-N 1 3 334.504 3.867 20 0 EHADHO Fc1ccc(SCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247049337 1124582377 /nfs/dbraw/zinc/58/23/77/1124582377.db2.gz ZFUIDVWPFSLXEC-HNAYVOBHSA-N 1 3 334.504 3.867 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)N1CCC(C)CC1 ZINC000520552087 1124653832 /nfs/dbraw/zinc/65/38/32/1124653832.db2.gz SHMLQMZNHKQJNI-HLAWJBBLSA-N 1 3 329.532 3.532 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc1CN1CCCCC1 ZINC000182527756 1125325999 /nfs/dbraw/zinc/32/59/99/1125325999.db2.gz QFYXOQAEKMAXNK-MSOLQXFVSA-N 1 3 346.515 3.758 20 0 EHADHO Clc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c2ncccc12 ZINC000261956864 1125392324 /nfs/dbraw/zinc/39/23/24/1125392324.db2.gz XGDFCBYNZXHHQH-GOSISDBHSA-N 1 3 329.875 3.852 20 0 EHADHO c1ccc(C2(NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000068980216 1129412419 /nfs/dbraw/zinc/41/24/19/1129412419.db2.gz GMVGODPMCXUXEX-UHFFFAOYSA-N 1 3 336.479 3.940 20 0 EHADHO CCn1nc(CNC2CCC(C)([NH+]3CCCC3)CC2)c2ccccc21 ZINC000922503250 1129556419 /nfs/dbraw/zinc/55/64/19/1129556419.db2.gz IRDOBKBSMINSRT-UHFFFAOYSA-N 1 3 340.515 3.943 20 0 EHADHO COc1ccc2nc(CNC3CCC(C)([NH+]4CCC4)CC3)sc2c1 ZINC000922845858 1129688989 /nfs/dbraw/zinc/68/89/89/1129688989.db2.gz UNEPKKMPHBAXJT-UHFFFAOYSA-N 1 3 345.512 3.802 20 0 EHADHO COc1ccc2[nH]cc(CC[NH2+]C3CCN(C(C)(C)C)CC3)c2c1 ZINC000675877840 1130499181 /nfs/dbraw/zinc/49/91/81/1130499181.db2.gz LRBKFEROEIITKJ-UHFFFAOYSA-N 1 3 329.488 3.572 20 0 EHADHO CCc1ccc(C[C@@H](C)[NH+]2CCC(N3CCC(OC)CC3)CC2)cc1 ZINC001173242533 1132030268 /nfs/dbraw/zinc/03/02/68/1132030268.db2.gz FKCJKDITHLKDHH-GOSISDBHSA-N 1 3 344.543 3.755 20 0 EHADHO COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001173445504 1132078825 /nfs/dbraw/zinc/07/88/25/1132078825.db2.gz POGLUHYLMIMMNC-QGZVFWFLSA-N 1 3 338.536 3.743 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119914 1132663531 /nfs/dbraw/zinc/66/35/31/1132663531.db2.gz YKRCXBANGJAMIU-WOZUAGRISA-N 1 3 328.500 3.759 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119914 1132663536 /nfs/dbraw/zinc/66/35/36/1132663536.db2.gz YKRCXBANGJAMIU-WOZUAGRISA-N 1 3 328.500 3.759 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141390 1132674299 /nfs/dbraw/zinc/67/42/99/1132674299.db2.gz QHPHUKNPZPXMNB-FUMNGEBKSA-N 1 3 348.918 3.946 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141390 1132674300 /nfs/dbraw/zinc/67/43/00/1132674300.db2.gz QHPHUKNPZPXMNB-FUMNGEBKSA-N 1 3 348.918 3.946 20 0 EHADHO C[C@@]1(C[NH2+]Cc2ccc3c(n2)CCC3)CCN(Cc2ccccc2)C1 ZINC001178606081 1133185658 /nfs/dbraw/zinc/18/56/58/1133185658.db2.gz VIBOFKMWLLVJEU-QFIPXVFZSA-N 1 3 335.495 3.572 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(SCC)CC2)CC1 ZINC001179222485 1133236219 /nfs/dbraw/zinc/23/62/19/1133236219.db2.gz IOMLJTDYKSDPBU-UHFFFAOYSA-N 1 3 347.572 3.594 20 0 EHADHO CC[NH+]1CCC(CNCc2cccc(Oc3ccc(F)cc3)n2)CC1 ZINC001182754789 1133724234 /nfs/dbraw/zinc/72/42/34/1133724234.db2.gz OWUROMCYXXOCLT-UHFFFAOYSA-N 1 3 343.446 3.835 20 0 EHADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001184135188 1133897637 /nfs/dbraw/zinc/89/76/37/1133897637.db2.gz MNWXHUNYLRZBQV-TZMCWYRMSA-N 1 3 343.298 3.692 20 0 EHADHO CN1CCC(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000788477240 1134129520 /nfs/dbraw/zinc/12/95/20/1134129520.db2.gz BVDSEUGBKXBDQS-UHFFFAOYSA-N 1 3 334.891 3.577 20 0 EHADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc[nH]c(=O)c1 ZINC000788594980 1134148804 /nfs/dbraw/zinc/14/88/04/1134148804.db2.gz PVHSVKKKZRLKEI-KRWDZBQOSA-N 1 3 339.483 3.870 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1CN1CCCCC1 ZINC000775384425 1134696724 /nfs/dbraw/zinc/69/67/24/1134696724.db2.gz SSCOUWAHNLPMHE-YLJYHZDGSA-N 1 3 346.515 3.901 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1CN1CCCCC1 ZINC000775384417 1134696991 /nfs/dbraw/zinc/69/69/91/1134696991.db2.gz SSCOUWAHNLPMHE-FXAWDEMLSA-N 1 3 346.515 3.901 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)ccc1OC ZINC000775390911 1134705432 /nfs/dbraw/zinc/70/54/32/1134705432.db2.gz RNLFGYLRRSMUDU-OXJNMPFZSA-N 1 3 334.504 3.614 20 0 EHADHO CCC(CC)N1CCC([NH2+][C@H](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001170424055 1134837034 /nfs/dbraw/zinc/83/70/34/1134837034.db2.gz JHCYKGJLJNXTLE-QGZVFWFLSA-N 1 3 346.515 3.979 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)CN(Cc2ccccc2)C1 ZINC000793608046 1134968435 /nfs/dbraw/zinc/96/84/35/1134968435.db2.gz HKXOETGRCSZZEO-UWJYYQICSA-N 1 3 348.494 3.606 20 0 EHADHO CC(C)Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000806182345 1135407647 /nfs/dbraw/zinc/40/76/47/1135407647.db2.gz TYNJIYHCVIZKKL-KBRMVUAJSA-N 1 3 343.559 3.703 20 0 EHADHO CC(C)Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000806182345 1135407652 /nfs/dbraw/zinc/40/76/52/1135407652.db2.gz TYNJIYHCVIZKKL-KBRMVUAJSA-N 1 3 343.559 3.703 20 0 EHADHO Cc1cnccc1C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961109 1135635084 /nfs/dbraw/zinc/63/50/84/1135635084.db2.gz IUQQKVJFTLBJHA-SZPZYZBQSA-N 1 3 335.495 3.734 20 0 EHADHO Cc1cnccc1C[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961109 1135635086 /nfs/dbraw/zinc/63/50/86/1135635086.db2.gz IUQQKVJFTLBJHA-SZPZYZBQSA-N 1 3 335.495 3.734 20 0 EHADHO CCc1nc(C)c(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001203246425 1135926931 /nfs/dbraw/zinc/92/69/31/1135926931.db2.gz GKXBCGCJBHKGMC-UHFFFAOYSA-N 1 3 340.515 3.625 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@@H](N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001170676767 1136201023 /nfs/dbraw/zinc/20/10/23/1136201023.db2.gz HVZJSMKJMUEAJP-MSOLQXFVSA-N 1 3 334.454 3.676 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@@H](N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001170676767 1136201025 /nfs/dbraw/zinc/20/10/25/1136201025.db2.gz HVZJSMKJMUEAJP-MSOLQXFVSA-N 1 3 334.454 3.676 20 0 EHADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCC3SCCS3)CC2)C1 ZINC000850571611 1136288972 /nfs/dbraw/zinc/28/89/72/1136288972.db2.gz YXQGIVHHRHOXRU-HOCLYGCPSA-N 1 3 328.591 3.815 20 0 EHADHO CCN(CC)CCC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170845682 1136758898 /nfs/dbraw/zinc/75/88/98/1136758898.db2.gz SRWQWPMITWEJAF-KRWDZBQOSA-N 1 3 339.321 3.628 20 0 EHADHO CCN(CC)CCC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170845683 1136758976 /nfs/dbraw/zinc/75/89/76/1136758976.db2.gz SRWQWPMITWEJAF-QGZVFWFLSA-N 1 3 339.321 3.628 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCCCF)C2)ccn1 ZINC000856603921 1136798378 /nfs/dbraw/zinc/79/83/78/1136798378.db2.gz HENLTMDNNUGERP-LJQANCHMSA-N 1 3 337.483 3.515 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCCF)C2)ccn1 ZINC000856603921 1136798382 /nfs/dbraw/zinc/79/83/82/1136798382.db2.gz HENLTMDNNUGERP-LJQANCHMSA-N 1 3 337.483 3.515 20 0 EHADHO c1cnc2c(c1)CC[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CC2 ZINC000817575472 1136821925 /nfs/dbraw/zinc/82/19/25/1136821925.db2.gz XKVLQEKWFLSXID-HXUWFJFHSA-N 1 3 341.543 3.963 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000817894694 1136844282 /nfs/dbraw/zinc/84/42/82/1136844282.db2.gz PZAFFOGGAVYDQV-HRAATJIYSA-N 1 3 339.483 3.667 20 0 EHADHO N[C@H]1C[C@H]([NH2+]CCc2ccc(Br)cc2F)c2ccccc21 ZINC000817901674 1136844723 /nfs/dbraw/zinc/84/47/23/1136844723.db2.gz DWBNKURUFJAZBO-IRXDYDNUSA-N 1 3 349.247 3.865 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCNC[C@H]3C)CC2)cc1 ZINC000817970929 1136853922 /nfs/dbraw/zinc/85/39/22/1136853922.db2.gz HTBKIMXTZDEKEG-GXVGGZGZSA-N 1 3 330.516 3.528 20 0 EHADHO c1n[nH]c2c1CCC[C@@H]2NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000857866579 1136914982 /nfs/dbraw/zinc/91/49/82/1136914982.db2.gz CBXGWYCOTMRYJL-QUCCMNQESA-N 1 3 338.499 3.679 20 0 EHADHO c1n[nH]c2c1CCC[C@@H]2NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000857866579 1136914984 /nfs/dbraw/zinc/91/49/84/1136914984.db2.gz CBXGWYCOTMRYJL-QUCCMNQESA-N 1 3 338.499 3.679 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664621 1137068927 /nfs/dbraw/zinc/06/89/27/1137068927.db2.gz UXZHLQJJFGUSCJ-QEORTHHSSA-N 1 3 345.314 3.831 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000822664621 1137068928 /nfs/dbraw/zinc/06/89/28/1137068928.db2.gz UXZHLQJJFGUSCJ-QEORTHHSSA-N 1 3 345.314 3.831 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2cc(F)ncc2F)C[N@@H+]1Cc1ccccc1 ZINC000824037374 1137122507 /nfs/dbraw/zinc/12/25/07/1137122507.db2.gz LNQOOPBEALPNKM-DOTOQJQBSA-N 1 3 345.437 3.750 20 0 EHADHO C[C@H]1C[C@@H](CCNCc2cc(F)ncc2F)C[N@H+]1Cc1ccccc1 ZINC000824037374 1137122509 /nfs/dbraw/zinc/12/25/09/1137122509.db2.gz LNQOOPBEALPNKM-DOTOQJQBSA-N 1 3 345.437 3.750 20 0 EHADHO C[N@@H+](Cc1ccc2cc[nH]c2n1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144186051 1137250808 /nfs/dbraw/zinc/25/08/08/1137250808.db2.gz OJKHPQQVQFSKHS-SFHVURJKSA-N 1 3 334.467 3.517 20 0 EHADHO C[N@H+](Cc1ccc2cc[nH]c2n1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001144186051 1137250809 /nfs/dbraw/zinc/25/08/09/1137250809.db2.gz OJKHPQQVQFSKHS-SFHVURJKSA-N 1 3 334.467 3.517 20 0 EHADHO CN1CC2(C1)CC[NH+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)CC2 ZINC001171172845 1137281787 /nfs/dbraw/zinc/28/17/87/1137281787.db2.gz TYFLMWMHUUTGFF-OAHLLOKOSA-N 1 3 339.310 3.878 20 0 EHADHO c1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc(CC2CCC2)c1 ZINC000865468581 1137286736 /nfs/dbraw/zinc/28/67/36/1137286736.db2.gz IWNKABJTFKIQOI-NRFANRHFSA-N 1 3 342.527 3.620 20 0 EHADHO Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282736714 1137443617 /nfs/dbraw/zinc/44/36/17/1137443617.db2.gz TUABQWRHCLDYRB-UHFFFAOYSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ncsc1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693140 1137488687 /nfs/dbraw/zinc/48/86/87/1137488687.db2.gz NXKANFRIOIYAJF-OTWHNJEPSA-N 1 3 341.524 3.637 20 0 EHADHO COc1ccc2c(c1)SC[C@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171628722 1137499389 /nfs/dbraw/zinc/49/93/89/1137499389.db2.gz HTDPMXFBOYJZMT-OAHLLOKOSA-N 1 3 348.556 3.953 20 0 EHADHO COc1cccc2c1SC[C@@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171630058 1137499794 /nfs/dbraw/zinc/49/97/94/1137499794.db2.gz GXCKBWVRUSUGNO-HNNXBMFYSA-N 1 3 348.556 3.953 20 0 EHADHO COc1cc2c(cc1OC)[C@H](C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171629895 1137499880 /nfs/dbraw/zinc/49/98/80/1137499880.db2.gz YXBDAWDZNWBTBQ-HNNXBMFYSA-N 1 3 346.515 3.585 20 0 EHADHO C[C@@H](CN)C[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171647635 1137501529 /nfs/dbraw/zinc/50/15/29/1137501529.db2.gz MGFIPOUNYLOZJZ-YGONEPDPSA-N 1 3 325.294 3.660 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CCCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC001171640591 1137504613 /nfs/dbraw/zinc/50/46/13/1137504613.db2.gz GTIVHTIHZQQSFR-UHFFFAOYSA-N 1 3 347.522 3.989 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC001171640591 1137504614 /nfs/dbraw/zinc/50/46/14/1137504614.db2.gz GTIVHTIHZQQSFR-UHFFFAOYSA-N 1 3 347.522 3.989 20 0 EHADHO CCN1CC[N@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991492 1137522736 /nfs/dbraw/zinc/52/27/36/1137522736.db2.gz YOVDTSZAQCZWCY-FQEVSTJZSA-N 1 3 343.559 3.846 20 0 EHADHO CCN1CC[N@@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C(C)(C)C1 ZINC001171991492 1137522738 /nfs/dbraw/zinc/52/27/38/1137522738.db2.gz YOVDTSZAQCZWCY-FQEVSTJZSA-N 1 3 343.559 3.846 20 0 EHADHO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2)CCN1Cc1ccccc1 ZINC001171979655 1137526140 /nfs/dbraw/zinc/52/61/40/1137526140.db2.gz MUQKPPMHWZAZNC-PMACEKPBSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)N1C ZINC001172073934 1137529779 /nfs/dbraw/zinc/52/97/79/1137529779.db2.gz FHNKZEMHPDKQTA-NSFFCOSOSA-N 1 3 341.543 3.597 20 0 EHADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)N1C ZINC001172073934 1137529780 /nfs/dbraw/zinc/52/97/80/1137529780.db2.gz FHNKZEMHPDKQTA-NSFFCOSOSA-N 1 3 341.543 3.597 20 0 EHADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)N1C ZINC001172073931 1137529920 /nfs/dbraw/zinc/52/99/20/1137529920.db2.gz FHNKZEMHPDKQTA-JRQBXCBPSA-N 1 3 341.543 3.597 20 0 EHADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)N1C ZINC001172073931 1137529921 /nfs/dbraw/zinc/52/99/21/1137529921.db2.gz FHNKZEMHPDKQTA-JRQBXCBPSA-N 1 3 341.543 3.597 20 0 EHADHO CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172066569 1137533391 /nfs/dbraw/zinc/53/33/91/1137533391.db2.gz ZUCVNYGFIIINJE-YUMYIRISSA-N 1 3 341.543 3.644 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125305 1137535012 /nfs/dbraw/zinc/53/50/12/1137535012.db2.gz PGKSAFZHRXWICH-FCGDIQPGSA-N 1 3 334.504 3.931 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001172125305 1137535013 /nfs/dbraw/zinc/53/50/13/1137535013.db2.gz PGKSAFZHRXWICH-FCGDIQPGSA-N 1 3 334.504 3.931 20 0 EHADHO COCCC[NH+]1CCC(N[C@@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001172249864 1137544630 /nfs/dbraw/zinc/54/46/30/1137544630.db2.gz TYVYSPWKCKKZOG-FQEVSTJZSA-N 1 3 334.479 3.757 20 0 EHADHO COCCC[NH+]1CCC(N2CCC(Sc3ccccc3)CC2)CC1 ZINC001172254536 1137544773 /nfs/dbraw/zinc/54/47/73/1137544773.db2.gz PQNHYCIXUZHJBT-UHFFFAOYSA-N 1 3 348.556 3.744 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CC1 ZINC000877684997 1137685781 /nfs/dbraw/zinc/68/57/81/1137685781.db2.gz HPINAUIAMBEBOM-UHFFFAOYSA-N 1 3 342.462 3.524 20 0 EHADHO C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743043 1137687715 /nfs/dbraw/zinc/68/77/15/1137687715.db2.gz SYRXOWGUXTUWSR-UNEWFSDZSA-N 1 3 326.406 3.835 20 0 EHADHO C[C@H](C[N@H+]1CC[C@H]2[C@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743043 1137687716 /nfs/dbraw/zinc/68/77/16/1137687716.db2.gz SYRXOWGUXTUWSR-UNEWFSDZSA-N 1 3 326.406 3.835 20 0 EHADHO C=C/C=C\CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018727 1137735417 /nfs/dbraw/zinc/73/54/17/1137735417.db2.gz IAGSTNXEBDSWSU-PXDRNWIDSA-N 1 3 329.488 3.507 20 0 EHADHO C=C/C=C\CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018727 1137735418 /nfs/dbraw/zinc/73/54/18/1137735418.db2.gz IAGSTNXEBDSWSU-PXDRNWIDSA-N 1 3 329.488 3.507 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000882880649 1137836611 /nfs/dbraw/zinc/83/66/11/1137836611.db2.gz CGGKLLHBGBYTAQ-UHFFFAOYSA-N 1 3 338.495 3.891 20 0 EHADHO Cc1nc(-c2ccccc2)oc1CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883439446 1137860669 /nfs/dbraw/zinc/86/06/69/1137860669.db2.gz RMHMZGPIEHTJJY-HXUWFJFHSA-N 1 3 327.472 3.847 20 0 EHADHO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886622365 1138103228 /nfs/dbraw/zinc/10/32/28/1138103228.db2.gz QRNBVBOSGBXUMU-ALGQRKQJSA-N 1 3 328.500 3.587 20 0 EHADHO COCc1ccccc1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122044856 1138253624 /nfs/dbraw/zinc/25/36/24/1138253624.db2.gz ZDFUEDYIGRIYTL-KRWDZBQOSA-N 1 3 342.483 3.624 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1NC(C)=O ZINC000125966700 1138320274 /nfs/dbraw/zinc/32/02/74/1138320274.db2.gz AIGGZWMNRBGLGQ-AUUYWEPGSA-N 1 3 349.519 3.671 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337346125 1138539949 /nfs/dbraw/zinc/53/99/49/1138539949.db2.gz VVKONEWJUOTBCM-YOUFYPILSA-N 1 3 345.531 3.587 20 0 EHADHO Cc1ccc2ncc(CNCc3cccc(C[N@@H+](C)C(C)C)c3)n2c1 ZINC000178884858 1139723761 /nfs/dbraw/zinc/72/37/61/1139723761.db2.gz UONDWKJBNNNINR-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO Cc1ccc2ncc(CNCc3cccc(C[N@H+](C)C(C)C)c3)n2c1 ZINC000178884858 1139723768 /nfs/dbraw/zinc/72/37/68/1139723768.db2.gz UONDWKJBNNNINR-UHFFFAOYSA-N 1 3 336.483 3.773 20 0 EHADHO CCC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000187810204 1140272502 /nfs/dbraw/zinc/27/25/02/1140272502.db2.gz BNYVKORFUNQJSU-KRWDZBQOSA-N 1 3 333.501 3.715 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000192747473 1140549258 /nfs/dbraw/zinc/54/92/58/1140549258.db2.gz IAVYMJOWGVLRRE-RXVVDRJESA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000192747473 1140549261 /nfs/dbraw/zinc/54/92/61/1140549261.db2.gz IAVYMJOWGVLRRE-RXVVDRJESA-N 1 3 347.522 3.625 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc2ccccc2c1 ZINC000271436636 1141367102 /nfs/dbraw/zinc/36/71/02/1141367102.db2.gz BTXLNYUMGQYHTG-USCONSEESA-N 1 3 338.495 3.868 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000283181851 1141568366 /nfs/dbraw/zinc/56/83/66/1141568366.db2.gz FFAKBVGONWYEKV-IBGZPJMESA-N 1 3 349.950 3.545 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000283181851 1141568370 /nfs/dbraw/zinc/56/83/70/1141568370.db2.gz FFAKBVGONWYEKV-IBGZPJMESA-N 1 3 349.950 3.545 20 0 EHADHO c1ccc(C2CC2)c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475730 1032070769 /nfs/dbraw/zinc/07/07/69/1032070769.db2.gz QHZWNWCMANAQQX-RBBKRZOGSA-N 1 3 334.463 3.910 20 0 EHADHO CN1CCC[C@@]2(CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000339434059 1014431958 /nfs/dbraw/zinc/43/19/58/1014431958.db2.gz OHOBODHSDZNKCQ-LJQANCHMSA-N 1 3 329.875 3.806 20 0 EHADHO CN1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000339434059 1014431961 /nfs/dbraw/zinc/43/19/61/1014431961.db2.gz OHOBODHSDZNKCQ-LJQANCHMSA-N 1 3 329.875 3.806 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000643545882 1014469343 /nfs/dbraw/zinc/46/93/43/1014469343.db2.gz DWFNVHYGICYRHW-IRXDYDNUSA-N 1 3 349.316 3.571 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115472 1016179567 /nfs/dbraw/zinc/17/95/67/1016179567.db2.gz HXSAFJMVVZJNAN-FCEWJHQRSA-N 1 3 327.472 3.511 20 0 EHADHO Cc1ccc(-c2nc(CCN[C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155115472 1016179572 /nfs/dbraw/zinc/17/95/72/1016179572.db2.gz HXSAFJMVVZJNAN-FCEWJHQRSA-N 1 3 327.472 3.511 20 0 EHADHO c1ccc(N2CC[C@@H](C[NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000152573321 1032203747 /nfs/dbraw/zinc/20/37/47/1032203747.db2.gz UWFJQTIYTVHDRT-SFHVURJKSA-N 1 3 327.516 3.510 20 0 EHADHO CCC[NH+]1CCC(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449131183 1032224300 /nfs/dbraw/zinc/22/43/00/1032224300.db2.gz KPAJBZWYLWIKEG-OAHLLOKOSA-N 1 3 326.406 3.803 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459722538 1032428755 /nfs/dbraw/zinc/42/87/55/1032428755.db2.gz BRUFHKLTPPOVOD-LBPRGKRZSA-N 1 3 331.287 3.824 20 0 EHADHO COc1c(Cl)cc(Cl)cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459722538 1032428763 /nfs/dbraw/zinc/42/87/63/1032428763.db2.gz BRUFHKLTPPOVOD-LBPRGKRZSA-N 1 3 331.287 3.824 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449484170 1032637996 /nfs/dbraw/zinc/63/79/96/1032637996.db2.gz LKBKZSSIADOREY-XLIONFOSSA-N 1 3 329.532 3.955 20 0 EHADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000415076854 1017509467 /nfs/dbraw/zinc/50/94/67/1017509467.db2.gz BNXUJFPRTBAKEV-GXTWGEPZSA-N 1 3 343.334 3.661 20 0 EHADHO COc1ccc([C@@H](Cc2ccc(F)cc2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000415076585 1017509851 /nfs/dbraw/zinc/50/98/51/1017509851.db2.gz CXMFGPABAUPVPX-TZIWHRDSSA-N 1 3 342.458 3.850 20 0 EHADHO c1cn(Cc2ccc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)cn1 ZINC000415080418 1017521427 /nfs/dbraw/zinc/52/14/27/1017521427.db2.gz JFZSVNCPMNUNCX-YADHBBJMSA-N 1 3 346.478 3.514 20 0 EHADHO CCCCOc1ccccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415109713 1017559090 /nfs/dbraw/zinc/55/90/90/1017559090.db2.gz OCAOSAGMAVKEAW-TZIWHRDSSA-N 1 3 346.515 3.584 20 0 EHADHO C[C@H](NCC1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000462821244 1018260124 /nfs/dbraw/zinc/26/01/24/1018260124.db2.gz YSFIBBPHXOVMHD-ZDUSSCGKSA-N 1 3 333.476 3.942 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000052208727 1018869934 /nfs/dbraw/zinc/86/99/34/1018869934.db2.gz DEIQOTMQQWXZRX-UHFFFAOYSA-N 1 3 340.515 3.882 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000052208727 1018869957 /nfs/dbraw/zinc/86/99/57/1018869957.db2.gz DEIQOTMQQWXZRX-UHFFFAOYSA-N 1 3 340.515 3.882 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000513099001 1019017314 /nfs/dbraw/zinc/01/73/14/1019017314.db2.gz ONSFNGAMJFZRKO-IFMALSPDSA-N 1 3 343.559 3.753 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc(Cl)cc1Cl)C2 ZINC000513155481 1019189810 /nfs/dbraw/zinc/18/98/10/1019189810.db2.gz WJSZUVSQZAABLT-YIONKMFJSA-N 1 3 343.298 3.929 20 0 EHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc(Cl)cc1Cl)C2 ZINC000513155481 1019189813 /nfs/dbraw/zinc/18/98/13/1019189813.db2.gz WJSZUVSQZAABLT-YIONKMFJSA-N 1 3 343.298 3.929 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557151 1019330060 /nfs/dbraw/zinc/33/00/60/1019330060.db2.gz OKVBXAZPYMDYPG-LZJOCLMNSA-N 1 3 348.494 3.844 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000125557151 1019330076 /nfs/dbraw/zinc/33/00/76/1019330076.db2.gz OKVBXAZPYMDYPG-LZJOCLMNSA-N 1 3 348.494 3.844 20 0 EHADHO Cc1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cnc1F ZINC000894227917 1019706130 /nfs/dbraw/zinc/70/61/30/1019706130.db2.gz XMXBYUNCKHTURR-HXUWFJFHSA-N 1 3 327.447 3.531 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000513678619 1019927203 /nfs/dbraw/zinc/92/72/03/1019927203.db2.gz PWGVSXIBMNIHTM-VNQPRFMTSA-N 1 3 342.405 3.547 20 0 EHADHO [NH3+][C@H]1CCC[C@@H](NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000581200041 1020512754 /nfs/dbraw/zinc/51/27/54/1020512754.db2.gz LMRWPYDYHGUSAI-WDEREUQCSA-N 1 3 337.678 3.885 20 0 EHADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000581564059 1021092279 /nfs/dbraw/zinc/09/22/79/1021092279.db2.gz FPQNVLAQQDIZPU-KNOXWWKRSA-N 1 3 342.527 3.570 20 0 EHADHO Fc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656786611 1021343404 /nfs/dbraw/zinc/34/34/04/1021343404.db2.gz OHKIQHMOQNXIMJ-HNNXBMFYSA-N 1 3 342.405 3.639 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000415076583 1022215326 /nfs/dbraw/zinc/21/53/26/1022215326.db2.gz CXMFGPABAUPVPX-FPOVZHCZSA-N 1 3 342.458 3.850 20 0 EHADHO c1nc2cc(CNCc3ccccc3C[NH+]3CCCCC3)ccc2[nH]1 ZINC000517540825 1022423290 /nfs/dbraw/zinc/42/32/90/1022423290.db2.gz KBZOTKBVXINACI-UHFFFAOYSA-N 1 3 334.467 3.839 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)[C@H](C)C2 ZINC000180960716 1023667112 /nfs/dbraw/zinc/66/71/12/1023667112.db2.gz ZLXLRYQNLXQWAC-ZINXYGQCSA-N 1 3 342.527 3.586 20 0 EHADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCc2ccccn2)c1 ZINC000515671699 1025459023 /nfs/dbraw/zinc/45/90/23/1025459023.db2.gz SYHFMNOBODNFRB-JQHSSLGASA-N 1 3 325.456 3.581 20 0 EHADHO C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CCCN(C2CCC2)C1 ZINC000192637843 1025481737 /nfs/dbraw/zinc/48/17/37/1025481737.db2.gz OZXPSLYPYZQSPD-XLIONFOSSA-N 1 3 342.527 3.797 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880978 1025561160 /nfs/dbraw/zinc/56/11/60/1025561160.db2.gz YNFAONVZWKLLGH-OALUTQOASA-N 1 3 349.950 3.592 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040116 1025909020 /nfs/dbraw/zinc/90/90/20/1025909020.db2.gz ZEKHWYYODXNVRU-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040116 1025909029 /nfs/dbraw/zinc/90/90/29/1025909029.db2.gz ZEKHWYYODXNVRU-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040116 1025909041 /nfs/dbraw/zinc/90/90/41/1025909041.db2.gz ZEKHWYYODXNVRU-SIKLNZKXSA-N 1 3 338.495 3.910 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000467347527 1025994762 /nfs/dbraw/zinc/99/47/62/1025994762.db2.gz TUCBEUFJLGQHAY-VYJAJWGXSA-N 1 3 334.548 3.824 20 0 EHADHO CCCCN1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168053302 1026036541 /nfs/dbraw/zinc/03/65/41/1026036541.db2.gz NEDYUHZVFUXYCB-VTYHHJSWSA-N 1 3 343.559 3.846 20 0 EHADHO CCCCN1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168053302 1026036563 /nfs/dbraw/zinc/03/65/63/1026036563.db2.gz NEDYUHZVFUXYCB-VTYHHJSWSA-N 1 3 343.559 3.846 20 0 EHADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582414610 1026195627 /nfs/dbraw/zinc/19/56/27/1026195627.db2.gz NKKQKYHYXWXJCX-VWPQPMDRSA-N 1 3 334.463 3.828 20 0 EHADHO COCc1csc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000657428871 1026251308 /nfs/dbraw/zinc/25/13/08/1026251308.db2.gz CGMURTXXVOTOBH-VQIMIIECSA-N 1 3 344.524 3.895 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000122251150 1026335116 /nfs/dbraw/zinc/33/51/16/1026335116.db2.gz JGJDXIIMWADLMG-YYWHXJBOSA-N 1 3 348.531 3.873 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000122251150 1026335122 /nfs/dbraw/zinc/33/51/22/1026335122.db2.gz JGJDXIIMWADLMG-YYWHXJBOSA-N 1 3 348.531 3.873 20 0 EHADHO C[C@@H]1CC(N2CC(N3CCCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063961 1026589707 /nfs/dbraw/zinc/58/97/07/1026589707.db2.gz ORXBFLHLKXZULR-RTBURBONSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140073 1026620724 /nfs/dbraw/zinc/62/07/24/1026620724.db2.gz HOPNEPUYLCIBPU-OCCSQVGLSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000531140073 1026620729 /nfs/dbraw/zinc/62/07/29/1026620729.db2.gz HOPNEPUYLCIBPU-OCCSQVGLSA-N 1 3 343.284 3.893 20 0 EHADHO Cc1ccc2nccc(NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)c2c1 ZINC000302221892 1027094283 /nfs/dbraw/zinc/09/42/83/1027094283.db2.gz MQSHEFWQTGUFAQ-RBUKOAKNSA-N 1 3 347.462 3.591 20 0 EHADHO Cc1ccc2nccc(NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)c2c1 ZINC000302221892 1027094297 /nfs/dbraw/zinc/09/42/97/1027094297.db2.gz MQSHEFWQTGUFAQ-RBUKOAKNSA-N 1 3 347.462 3.591 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632489 1027104522 /nfs/dbraw/zinc/10/45/22/1027104522.db2.gz VRTFRJTXIUVSCG-HOTGVXAUSA-N 1 3 333.545 3.686 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125632489 1027104528 /nfs/dbraw/zinc/10/45/28/1027104528.db2.gz VRTFRJTXIUVSCG-HOTGVXAUSA-N 1 3 333.545 3.686 20 0 EHADHO CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453096561 1027361283 /nfs/dbraw/zinc/36/12/83/1027361283.db2.gz UBDXIZZGGXZVQT-YPAWHYETSA-N 1 3 341.543 3.504 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420303759 1027450071 /nfs/dbraw/zinc/45/00/71/1027450071.db2.gz DIOGIAFFKVUQKC-PCCBWWKXSA-N 1 3 330.516 3.618 20 0 EHADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420303759 1027450089 /nfs/dbraw/zinc/45/00/89/1027450089.db2.gz DIOGIAFFKVUQKC-PCCBWWKXSA-N 1 3 330.516 3.618 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303843 1027452153 /nfs/dbraw/zinc/45/21/53/1027452153.db2.gz NQYPUNXCZHWGJA-FXAWDEMLSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303843 1027452159 /nfs/dbraw/zinc/45/21/59/1027452159.db2.gz NQYPUNXCZHWGJA-FXAWDEMLSA-N 1 3 340.467 3.583 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccccc2OC)cc1 ZINC000420303843 1027452170 /nfs/dbraw/zinc/45/21/70/1027452170.db2.gz NQYPUNXCZHWGJA-FXAWDEMLSA-N 1 3 340.467 3.583 20 0 EHADHO Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000420320431 1027467227 /nfs/dbraw/zinc/46/72/27/1027467227.db2.gz QFJOAPDRSLXZBX-XLIONFOSSA-N 1 3 338.499 3.912 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398487 1027514039 /nfs/dbraw/zinc/51/40/39/1027514039.db2.gz YVKADMTZPNGNHI-KFKAGJAMSA-N 1 3 338.442 3.634 20 0 EHADHO C[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000657612636 1027648902 /nfs/dbraw/zinc/64/89/02/1027648902.db2.gz BXYRFPNWEXNDMV-QGZVFWFLSA-N 1 3 341.474 3.826 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665808 1027773076 /nfs/dbraw/zinc/77/30/76/1027773076.db2.gz VYZDOIKJWXDPCD-QAPCUYQASA-N 1 3 328.431 3.574 20 0 EHADHO COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3CN)CCCCC2)cc1OC ZINC000422735473 1027880320 /nfs/dbraw/zinc/88/03/20/1027880320.db2.gz UWUQCZRRZKGGKI-FUHWJXTLSA-N 1 3 346.515 3.623 20 0 EHADHO COc1cccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422719193 1027887619 /nfs/dbraw/zinc/88/76/19/1027887619.db2.gz XVOSVLUSTALMMP-ZRCAFCQKSA-N 1 3 338.451 3.602 20 0 EHADHO c1csc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N2CCCC2)c1 ZINC000422727929 1027897648 /nfs/dbraw/zinc/89/76/48/1027897648.db2.gz DUJGASHXUDCBLC-OKYOBFRVSA-N 1 3 347.572 3.785 20 0 EHADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422777239 1027932310 /nfs/dbraw/zinc/93/23/10/1027932310.db2.gz BTXSTJPMYWUWJE-IPMKNSEASA-N 1 3 341.524 3.863 20 0 EHADHO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422775642 1027934161 /nfs/dbraw/zinc/93/41/61/1027934161.db2.gz AYDKFEFXGHUCHB-HUUCEWRRSA-N 1 3 327.472 3.702 20 0 EHADHO Cc1cc(Br)cc(C)c1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422808128 1027958084 /nfs/dbraw/zinc/95/80/84/1027958084.db2.gz AKGBLSVZBXKERN-BZNIZROVSA-N 1 3 325.294 3.544 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000422843132 1028002915 /nfs/dbraw/zinc/00/29/15/1028002915.db2.gz HCZFWHLXBRNLOK-CRAIPNDOSA-N 1 3 329.419 3.620 20 0 EHADHO C[C@@H](CCCC[NH3+])N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422880056 1028013819 /nfs/dbraw/zinc/01/38/19/1028013819.db2.gz NCVMTIGLUDLADO-OXJNMPFZSA-N 1 3 336.483 3.770 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(OCC(C)C)c1 ZINC000422904929 1028039548 /nfs/dbraw/zinc/03/95/48/1028039548.db2.gz YJTOUEVCMPOZNF-OAHLLOKOSA-N 1 3 327.472 3.734 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913320 1028046939 /nfs/dbraw/zinc/04/69/39/1028046939.db2.gz YFYGSAIYZOJIPK-JXFKEZNVSA-N 1 3 344.547 3.544 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913320 1028046955 /nfs/dbraw/zinc/04/69/55/1028046955.db2.gz YFYGSAIYZOJIPK-JXFKEZNVSA-N 1 3 344.547 3.544 20 0 EHADHO CO[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1cccc(Cl)c1 ZINC000422919032 1028073542 /nfs/dbraw/zinc/07/35/42/1028073542.db2.gz IWDKHKPTQOKSDN-KZULUSFZSA-N 1 3 333.863 3.540 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000502288106 1028086747 /nfs/dbraw/zinc/08/67/47/1028086747.db2.gz PFJCIVHSJUZVSD-ROUUACIJSA-N 1 3 348.531 3.653 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984375 1028109976 /nfs/dbraw/zinc/10/99/76/1028109976.db2.gz ANAIZRICKFHUJX-AWEZNQCLSA-N 1 3 327.447 3.661 20 0 EHADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423053932 1028166866 /nfs/dbraw/zinc/16/68/66/1028166866.db2.gz TXILUAPWZYUYOU-GDBMZVCRSA-N 1 3 336.277 3.680 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(C2CC2)cc1 ZINC000423077850 1028167256 /nfs/dbraw/zinc/16/72/56/1028167256.db2.gz MZTFDGDAFQPECZ-IFMALSPDSA-N 1 3 334.463 3.910 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2ncccc2c1 ZINC000423091438 1028177808 /nfs/dbraw/zinc/17/78/08/1028177808.db2.gz ZXUOBZSBOXUFHU-IFMALSPDSA-N 1 3 345.446 3.580 20 0 EHADHO COc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000423120542 1028188749 /nfs/dbraw/zinc/18/87/49/1028188749.db2.gz GZOININUIDNTHT-UONOGXRCSA-N 1 3 343.471 3.586 20 0 EHADHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423125404 1028191252 /nfs/dbraw/zinc/19/12/52/1028191252.db2.gz IAUZYUONHHANMI-ARFHVFGLSA-N 1 3 341.421 3.543 20 0 EHADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423285190 1028323719 /nfs/dbraw/zinc/32/37/19/1028323719.db2.gz XYIZVUOAJVKFGY-AXAPSJFSSA-N 1 3 343.284 3.626 20 0 EHADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423307819 1028343518 /nfs/dbraw/zinc/34/35/18/1028343518.db2.gz NUQMNWOBYYGWKG-RKDXNWHRSA-N 1 3 339.199 3.713 20 0 EHADHO COCCOc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423295924 1028356559 /nfs/dbraw/zinc/35/65/59/1028356559.db2.gz XUNWCIXNUNWKIH-CVEARBPZSA-N 1 3 328.456 3.582 20 0 EHADHO CC[N@@H+]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)[C@H](C)C1 ZINC000161956597 1028378987 /nfs/dbraw/zinc/37/89/87/1028378987.db2.gz VDXRGILABDWVEH-CRAIPNDOSA-N 1 3 329.513 3.673 20 0 EHADHO CC[N@H+]1CC[C@@H](NCCc2csc(-c3ccccc3)n2)[C@H](C)C1 ZINC000161956597 1028378998 /nfs/dbraw/zinc/37/89/98/1028378998.db2.gz VDXRGILABDWVEH-CRAIPNDOSA-N 1 3 329.513 3.673 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393881 1028405903 /nfs/dbraw/zinc/40/59/03/1028405903.db2.gz RBZSFLZXGWZTLN-GOSISDBHSA-N 1 3 343.268 3.829 20 0 EHADHO COCCc1nc(C)c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423496192 1028482964 /nfs/dbraw/zinc/48/29/64/1028482964.db2.gz DOUKVVHSROLIII-RHSMWYFYSA-N 1 3 347.528 3.771 20 0 EHADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CCC(F)(F)CC1 ZINC000423517778 1028492103 /nfs/dbraw/zinc/49/21/03/1028492103.db2.gz BXGKQOHZVYGCTI-SYSJQSPFSA-N 1 3 326.475 3.944 20 0 EHADHO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423516580 1028492894 /nfs/dbraw/zinc/49/28/94/1028492894.db2.gz YCVHXNRALBJCOE-KKSFZXQISA-N 1 3 334.467 3.785 20 0 EHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423526474 1028498815 /nfs/dbraw/zinc/49/88/15/1028498815.db2.gz LHKUTBSIKDZWBZ-XQPFHCFJSA-N 1 3 342.527 3.930 20 0 EHADHO N[C@H](CC1CCCCC1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423780542 1028609964 /nfs/dbraw/zinc/60/99/64/1028609964.db2.gz WJXPIWVFRFCHJS-HXUWFJFHSA-N 1 3 343.515 3.561 20 0 EHADHO Cc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)s1 ZINC000246594343 1028667361 /nfs/dbraw/zinc/66/73/61/1028667361.db2.gz ZQFUPPMOYVYNBU-ZOCIIQOWSA-N 1 3 336.545 3.783 20 0 EHADHO c1ccc(CCN2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000924938584 1028772003 /nfs/dbraw/zinc/77/20/03/1028772003.db2.gz LHZDEQCAGRRXPD-UMQXSMKFSA-N 1 3 330.541 3.567 20 0 EHADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000503051154 1028997403 /nfs/dbraw/zinc/99/74/03/1028997403.db2.gz HGCZQURCSZMQKF-OAHLLOKOSA-N 1 3 325.294 3.758 20 0 EHADHO c1nc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000414790342 1029085091 /nfs/dbraw/zinc/08/50/91/1029085091.db2.gz ZQAWSFFIPFGRDR-IAGOWNOFSA-N 1 3 327.497 3.632 20 0 EHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414812996 1029325148 /nfs/dbraw/zinc/32/51/48/1029325148.db2.gz XYWFCNXLTUTSEB-AXAPSJFSSA-N 1 3 343.284 3.626 20 0 EHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414812999 1029326223 /nfs/dbraw/zinc/32/62/23/1029326223.db2.gz XYWFCNXLTUTSEB-PVXIVEMSSA-N 1 3 343.284 3.626 20 0 EHADHO C[NH+]1CCC(Oc2ccc(CNc3ccnc4ccccc43)cc2)CC1 ZINC000343144343 1029444810 /nfs/dbraw/zinc/44/48/10/1029444810.db2.gz YYHFZAKDIKFHCF-UHFFFAOYSA-N 1 3 347.462 3.742 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1F ZINC000245949505 1029507372 /nfs/dbraw/zinc/50/73/72/1029507372.db2.gz WFZXLBNFSPIJPK-RBSFLKMASA-N 1 3 326.431 3.505 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000272628372 1029541323 /nfs/dbraw/zinc/54/13/23/1029541323.db2.gz AIVLSSOEWDKFPZ-BDTNDASRSA-N 1 3 335.495 3.514 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338216 1029814681 /nfs/dbraw/zinc/81/46/81/1029814681.db2.gz ORJMJZTUWIGRGI-PGRDOPGGSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338216 1029814688 /nfs/dbraw/zinc/81/46/88/1029814688.db2.gz ORJMJZTUWIGRGI-PGRDOPGGSA-N 1 3 338.495 3.976 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)ccn1 ZINC000453285644 1030028102 /nfs/dbraw/zinc/02/81/02/1030028102.db2.gz JXKPBELFCHCDKJ-VSKRKVRLSA-N 1 3 335.495 3.923 20 0 EHADHO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453297509 1030046805 /nfs/dbraw/zinc/04/68/05/1030046805.db2.gz ZIGNCWNLYFGRCQ-ZHHKINOHSA-N 1 3 344.543 3.818 20 0 EHADHO Cc1c([C@H](C)[NH2+][C@@H](C)CCN(C)C)cnn1-c1cc(C)ccc1C ZINC000481950458 1030129672 /nfs/dbraw/zinc/12/96/72/1030129672.db2.gz BJRDKMWCGNVGBH-IRXDYDNUSA-N 1 3 328.504 3.788 20 0 EHADHO C[NH+](C)CCOCCN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000447601801 1030355344 /nfs/dbraw/zinc/35/53/44/1030355344.db2.gz RCOJDEXSNBXPEO-LJQANCHMSA-N 1 3 332.875 3.597 20 0 EHADHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000447745182 1030464707 /nfs/dbraw/zinc/46/47/07/1030464707.db2.gz LWMRCZHFJGXUNZ-OAQYLSRUSA-N 1 3 338.495 3.958 20 0 EHADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000447745182 1030464716 /nfs/dbraw/zinc/46/47/16/1030464716.db2.gz LWMRCZHFJGXUNZ-OAQYLSRUSA-N 1 3 338.495 3.958 20 0 EHADHO CC[C@@H](OCC[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000650742363 1030478032 /nfs/dbraw/zinc/47/80/32/1030478032.db2.gz WNZZJZNPCDMRMO-FOIQADDNSA-N 1 3 327.472 3.667 20 0 EHADHO CC1(C)C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000482551246 1030522291 /nfs/dbraw/zinc/52/22/91/1030522291.db2.gz QVINCOXRWZQKRO-LJQANCHMSA-N 1 3 328.500 3.644 20 0 EHADHO CCc1noc(C)c1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000163433879 1030550427 /nfs/dbraw/zinc/55/04/27/1030550427.db2.gz CRYYOENAZFCPDS-UHFFFAOYSA-N 1 3 341.499 3.889 20 0 EHADHO CCc1noc(C)c1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000163433879 1030550445 /nfs/dbraw/zinc/55/04/45/1030550445.db2.gz CRYYOENAZFCPDS-UHFFFAOYSA-N 1 3 341.499 3.889 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2cc(Br)ccc21 ZINC000650758535 1030815446 /nfs/dbraw/zinc/81/54/46/1030815446.db2.gz RUAMYJICGRGYQR-GOSISDBHSA-N 1 3 345.284 3.946 20 0 EHADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483268801 1031076928 /nfs/dbraw/zinc/07/69/28/1031076928.db2.gz LODKKJOYQGQOBU-CEXWTWQISA-N 1 3 330.516 3.877 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178037709 1031611050 /nfs/dbraw/zinc/61/10/50/1031611050.db2.gz OJNGEZRJLLLKMJ-WSTZPKSXSA-N 1 3 346.515 3.688 20 0 EHADHO CC[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC ZINC000181416936 1032022235 /nfs/dbraw/zinc/02/22/35/1032022235.db2.gz MSDSFSNGUXRXRC-AABGKKOBSA-N 1 3 346.515 3.504 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000181414295 1032023321 /nfs/dbraw/zinc/02/33/21/1032023321.db2.gz OMPKOJLLZSOGOR-VSKRKVRLSA-N 1 3 342.527 3.730 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001168291354 1033551768 /nfs/dbraw/zinc/55/17/68/1033551768.db2.gz KEOFQKMKTVZWGQ-OAQYLSRUSA-N 1 3 342.527 3.891 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@@H+](C)C1CCN(C3CCCCC3)CC1)C2 ZINC001168291354 1033551781 /nfs/dbraw/zinc/55/17/81/1033551781.db2.gz KEOFQKMKTVZWGQ-OAQYLSRUSA-N 1 3 342.527 3.891 20 0 EHADHO COc1ccc2c(c1)C[C@H](N(C)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168291354 1033551787 /nfs/dbraw/zinc/55/17/87/1033551787.db2.gz KEOFQKMKTVZWGQ-OAQYLSRUSA-N 1 3 342.527 3.891 20 0 EHADHO COCC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000608376103 1033661966 /nfs/dbraw/zinc/66/19/66/1033661966.db2.gz AGFVWWOUPMGUMN-LBPRGKRZSA-N 1 3 331.287 3.755 20 0 EHADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(Oc3cccnc3)cc2)C1 ZINC000489798236 1033685236 /nfs/dbraw/zinc/68/52/36/1033685236.db2.gz DXLPWYSFZRFKPB-TWOQFEAHSA-N 1 3 325.456 3.865 20 0 EHADHO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(Oc3cccnc3)cc2)C1 ZINC000489798236 1033685241 /nfs/dbraw/zinc/68/52/41/1033685241.db2.gz DXLPWYSFZRFKPB-TWOQFEAHSA-N 1 3 325.456 3.865 20 0 EHADHO CCCCN1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000550628571 1033760110 /nfs/dbraw/zinc/76/01/10/1033760110.db2.gz JGKQRQUOXIQFFN-LEWJYISDSA-N 1 3 329.532 3.676 20 0 EHADHO Cc1cccc2c1CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164859 1034030109 /nfs/dbraw/zinc/03/01/09/1034030109.db2.gz FYHIFTUCVTYRAF-QFIPXVFZSA-N 1 3 335.495 3.879 20 0 EHADHO C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000658240876 1034110032 /nfs/dbraw/zinc/11/00/32/1034110032.db2.gz SMYORTQEJIQNNN-BTYIYWSLSA-N 1 3 340.467 3.671 20 0 EHADHO CCOCc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC ZINC000534347189 1034418738 /nfs/dbraw/zinc/41/87/38/1034418738.db2.gz UZWKWHHCDGUOHJ-UHFFFAOYSA-N 1 3 348.531 3.784 20 0 EHADHO CCOCc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC ZINC000534347189 1034418746 /nfs/dbraw/zinc/41/87/46/1034418746.db2.gz UZWKWHHCDGUOHJ-UHFFFAOYSA-N 1 3 348.531 3.784 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158093204 1035565319 /nfs/dbraw/zinc/56/53/19/1035565319.db2.gz QSKKIVOMNSYIQC-IAGOWNOFSA-N 1 3 346.519 3.553 20 0 EHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158093204 1035565331 /nfs/dbraw/zinc/56/53/31/1035565331.db2.gz QSKKIVOMNSYIQC-IAGOWNOFSA-N 1 3 346.519 3.553 20 0 EHADHO Cc1ccc(OCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000492330303 1035628888 /nfs/dbraw/zinc/62/88/88/1035628888.db2.gz OYCQWBTWQMULAV-CTNGQTDRSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492355707 1035692607 /nfs/dbraw/zinc/69/26/07/1035692607.db2.gz YPZYQMKXELOFEQ-PZJWPPBQSA-N 1 3 337.511 3.623 20 0 EHADHO C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492355697 1035692769 /nfs/dbraw/zinc/69/27/69/1035692769.db2.gz YPZYQMKXELOFEQ-CTNGQTDRSA-N 1 3 337.511 3.623 20 0 EHADHO C[C@@H]([NH2+]CCOc1ccccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492372019 1035719863 /nfs/dbraw/zinc/71/98/63/1035719863.db2.gz FKFZKJCHICWUBT-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492372019 1035719884 /nfs/dbraw/zinc/71/98/84/1035719884.db2.gz FKFZKJCHICWUBT-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H](NCCOc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492372019 1035719910 /nfs/dbraw/zinc/71/99/10/1035719910.db2.gz FKFZKJCHICWUBT-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492463645 1035823346 /nfs/dbraw/zinc/82/33/46/1035823346.db2.gz JDMGNKKIRXBONQ-MJGOQNOKSA-N 1 3 342.458 3.705 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000588755040 1036024391 /nfs/dbraw/zinc/02/43/91/1036024391.db2.gz LVEGGVKKIVUSCX-KGVIQGDOSA-N 1 3 342.527 3.885 20 0 EHADHO CCOc1cccc(CN2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000542176502 1037150275 /nfs/dbraw/zinc/15/02/75/1037150275.db2.gz WZCZPSLPBYYGRI-UHFFFAOYSA-N 1 3 333.520 3.814 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1sccc1Br ZINC000532520825 1037560531 /nfs/dbraw/zinc/56/05/31/1037560531.db2.gz SJKRVVZQKODLCC-RYUDHWBXSA-N 1 3 349.338 3.518 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532537844 1037566037 /nfs/dbraw/zinc/56/60/37/1037566037.db2.gz PIHXMDDIHTZUEM-UHFFFAOYSA-N 1 3 338.499 3.696 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532537844 1037566052 /nfs/dbraw/zinc/56/60/52/1037566052.db2.gz PIHXMDDIHTZUEM-UHFFFAOYSA-N 1 3 338.499 3.696 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000363922788 1038951718 /nfs/dbraw/zinc/95/17/18/1038951718.db2.gz FTVCUTWXLWKDCI-CADBVGFASA-N 1 3 344.547 3.689 20 0 EHADHO Cc1cccc([C@H](O)CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000905909392 1039167509 /nfs/dbraw/zinc/16/75/09/1039167509.db2.gz NCKMSROIWUGOTF-JOCHJYFZSA-N 1 3 338.495 3.591 20 0 EHADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000668513822 1039248909 /nfs/dbraw/zinc/24/89/09/1039248909.db2.gz XWNOTKOJTJTQKD-OALUTQOASA-N 1 3 347.572 3.803 20 0 EHADHO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCCC[C@H]1C ZINC000480609814 1039749233 /nfs/dbraw/zinc/74/92/33/1039749233.db2.gz KETWYJLHZXGBQB-JBPLPALLSA-N 1 3 343.559 3.750 20 0 EHADHO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000479519911 1040339030 /nfs/dbraw/zinc/33/90/30/1040339030.db2.gz XGUZZMYUDQEQAU-XRXFAXGQSA-N 1 3 344.543 3.674 20 0 EHADHO c1cc(CN[C@H]2CO[C@@H](C3CC3)C2)cc(C[NH+]2CCCCCC2)c1 ZINC000667821914 1040377398 /nfs/dbraw/zinc/37/73/98/1040377398.db2.gz QKGVMMGSVXYINF-NHCUHLMSSA-N 1 3 328.500 3.720 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(CO)CC4(CCC4)C3)CC2)C1 ZINC000433055754 1040558101 /nfs/dbraw/zinc/55/81/01/1040558101.db2.gz BTWMYDSLCMVDBM-MJGOQNOKSA-N 1 3 334.548 3.562 20 0 EHADHO Brc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000555613363 1040914636 /nfs/dbraw/zinc/91/46/36/1040914636.db2.gz ADUGLMTWDJTEQX-UHFFFAOYSA-N 1 3 325.294 3.805 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000429803115 1041322184 /nfs/dbraw/zinc/32/21/84/1041322184.db2.gz MBOYKXNHVWJZKH-XLIONFOSSA-N 1 3 334.504 3.516 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000429803115 1041322190 /nfs/dbraw/zinc/32/21/90/1041322190.db2.gz MBOYKXNHVWJZKH-XLIONFOSSA-N 1 3 334.504 3.516 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000419335183 1041407777 /nfs/dbraw/zinc/40/77/77/1041407777.db2.gz JOMSLYMJMYMFDW-GOSISDBHSA-N 1 3 329.532 3.631 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246327442 1042513079 /nfs/dbraw/zinc/51/30/79/1042513079.db2.gz FWWDVOHJDICCOT-ORYQWCPZSA-N 1 3 346.515 3.504 20 0 EHADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000249633312 1042539082 /nfs/dbraw/zinc/53/90/82/1042539082.db2.gz VVNOENXGKQLILK-QKLQHJQFSA-N 1 3 346.515 3.552 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc3c2CNC3)cc1 ZINC000662388415 1042698843 /nfs/dbraw/zinc/69/88/43/1042698843.db2.gz OHCZAHLTYRSLRO-INIZCTEOSA-N 1 3 349.478 3.917 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2CNC3)cc1 ZINC000662388415 1042698847 /nfs/dbraw/zinc/69/88/47/1042698847.db2.gz OHCZAHLTYRSLRO-INIZCTEOSA-N 1 3 349.478 3.917 20 0 EHADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663468905 1042894579 /nfs/dbraw/zinc/89/45/79/1042894579.db2.gz NGTQLMBJMBMTNH-XLIONFOSSA-N 1 3 330.516 3.728 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663499003 1042948052 /nfs/dbraw/zinc/94/80/52/1042948052.db2.gz UDSUVHMBOUGOAW-ARWYELJZSA-N 1 3 337.305 3.502 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000344066680 1043193155 /nfs/dbraw/zinc/19/31/55/1043193155.db2.gz QQBKNAUSIOSHDM-JXXFODFXSA-N 1 3 334.479 3.682 20 0 EHADHO CN(C)Cc1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000050030463 1043225453 /nfs/dbraw/zinc/22/54/53/1043225453.db2.gz SFLYEOUEFINARH-UHFFFAOYSA-N 1 3 337.467 3.596 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107213 1043257895 /nfs/dbraw/zinc/25/78/95/1043257895.db2.gz QGUMFBICEQTBSO-RYUDHWBXSA-N 1 3 331.323 3.811 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446630 1043274760 /nfs/dbraw/zinc/27/47/60/1043274760.db2.gz NBBPIGWCUOTJLD-ZWKOTPCHSA-N 1 3 326.484 3.991 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446630 1043274766 /nfs/dbraw/zinc/27/47/66/1043274766.db2.gz NBBPIGWCUOTJLD-ZWKOTPCHSA-N 1 3 326.484 3.991 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446628 1043275278 /nfs/dbraw/zinc/27/52/78/1043275278.db2.gz NBBPIGWCUOTJLD-QZTJIDSGSA-N 1 3 326.484 3.991 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000432446628 1043275281 /nfs/dbraw/zinc/27/52/81/1043275281.db2.gz NBBPIGWCUOTJLD-QZTJIDSGSA-N 1 3 326.484 3.991 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000344137866 1043312955 /nfs/dbraw/zinc/31/29/55/1043312955.db2.gz UAQANPIQAUEQGR-HXUWFJFHSA-N 1 3 349.538 3.920 20 0 EHADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C12CCCC2 ZINC000512335092 1044761185 /nfs/dbraw/zinc/76/11/85/1044761185.db2.gz CBCAJALKTSRVPA-LCLWPZTBSA-N 1 3 334.548 3.967 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCOCC2)ccc1OC ZINC000183348096 1125536798 /nfs/dbraw/zinc/53/67/98/1125536798.db2.gz NSNGFBVZKHKKBW-LPHOPBHVSA-N 1 3 334.504 3.757 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000154286823 1125709777 /nfs/dbraw/zinc/70/97/77/1125709777.db2.gz APGUAAVKSZWLEU-SFHVURJKSA-N 1 3 349.588 3.865 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC1(C)C ZINC000623387573 1126941597 /nfs/dbraw/zinc/94/15/97/1126941597.db2.gz JTEAQQVICDXUOB-KRWDZBQOSA-N 1 3 331.504 3.756 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623443670 1126957486 /nfs/dbraw/zinc/95/74/86/1126957486.db2.gz IUKUUUXXCCKQGS-QAPCUYQASA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623443670 1126957488 /nfs/dbraw/zinc/95/74/88/1126957488.db2.gz IUKUUUXXCCKQGS-QAPCUYQASA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623443670 1126957490 /nfs/dbraw/zinc/95/74/90/1126957490.db2.gz IUKUUUXXCCKQGS-QAPCUYQASA-N 1 3 326.488 3.704 20 0 EHADHO C[N@@H+](Cc1cccc2c1NCC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000346833921 1126981442 /nfs/dbraw/zinc/98/14/42/1126981442.db2.gz SHTDDDCRBKSVTG-LJQANCHMSA-N 1 3 335.495 3.609 20 0 EHADHO C[N@H+](Cc1cccc2c1NCC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000346833921 1126981446 /nfs/dbraw/zinc/98/14/46/1126981446.db2.gz SHTDDDCRBKSVTG-LJQANCHMSA-N 1 3 335.495 3.609 20 0 EHADHO CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000623896180 1127209080 /nfs/dbraw/zinc/20/90/80/1127209080.db2.gz LDRSCLXTBODUAP-WIYYLYMNSA-N 1 3 330.516 3.845 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000623890065 1127211163 /nfs/dbraw/zinc/21/11/63/1127211163.db2.gz BCSHWXHMKIKIFU-KGLIPLIRSA-N 1 3 325.294 3.750 20 0 EHADHO Cc1ccc(Br)cc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000623890065 1127211166 /nfs/dbraw/zinc/21/11/66/1127211166.db2.gz BCSHWXHMKIKIFU-KGLIPLIRSA-N 1 3 325.294 3.750 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120495 1127255908 /nfs/dbraw/zinc/25/59/08/1127255908.db2.gz AGXSHYXNNPKQBN-HOCLYGCPSA-N 1 3 344.528 3.896 20 0 EHADHO COC[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182961264 1127356196 /nfs/dbraw/zinc/35/61/96/1127356196.db2.gz AGHFXPBEMRTHOV-LJQANCHMSA-N 1 3 340.458 3.898 20 0 EHADHO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383441209 1127543414 /nfs/dbraw/zinc/54/34/14/1127543414.db2.gz DSIAVLYVYPLZQR-MAUKXSAKSA-N 1 3 330.422 3.965 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921546676 1127723072 /nfs/dbraw/zinc/72/30/72/1127723072.db2.gz XUGBJZKFRLBGRO-IRXDYDNUSA-N 1 3 339.483 3.555 20 0 EHADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000623655718 1128449671 /nfs/dbraw/zinc/44/96/71/1128449671.db2.gz CJRVWQJJDQELTK-CQSZACIVSA-N 1 3 332.879 3.552 20 0 EHADHO Cn1cc(-c2ccc(C[NH2+]C3CCN(C(C)(C)C)CC3)s2)cn1 ZINC000282297288 1128517068 /nfs/dbraw/zinc/51/70/68/1128517068.db2.gz RDRHVLRHYNBPAR-UHFFFAOYSA-N 1 3 332.517 3.501 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303678119 1128687235 /nfs/dbraw/zinc/68/72/35/1128687235.db2.gz IGTOTMAOJFCXAO-RTBURBONSA-N 1 3 338.536 3.696 20 0 EHADHO CCOC(=O)CCCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000303678119 1128687236 /nfs/dbraw/zinc/68/72/36/1128687236.db2.gz IGTOTMAOJFCXAO-RTBURBONSA-N 1 3 338.536 3.696 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2ccccc2c1 ZINC000282313476 1128770393 /nfs/dbraw/zinc/77/03/93/1128770393.db2.gz NERTXEIIZXBPKC-QGZVFWFLSA-N 1 3 325.500 3.516 20 0 EHADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2C)C1 ZINC001648959675 1120280866 /nfs/dbraw/zinc/28/08/66/1120280866.db2.gz CLHAKUPUYAIOGK-AWEZNQCLSA-N 1 3 325.294 3.579 20 0 EHADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000542482737 1120565380 /nfs/dbraw/zinc/56/53/80/1120565380.db2.gz AEMJDNHETCIULM-ISMARYCFSA-N 1 3 342.527 3.692 20 0 EHADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000191445862 1120674072 /nfs/dbraw/zinc/67/40/72/1120674072.db2.gz SEIXMDNITGFZKS-UHFFFAOYSA-N 1 3 337.939 3.578 20 0 EHADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000191445862 1120674076 /nfs/dbraw/zinc/67/40/76/1120674076.db2.gz SEIXMDNITGFZKS-UHFFFAOYSA-N 1 3 337.939 3.578 20 0 EHADHO CCSc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192787753 1120748876 /nfs/dbraw/zinc/74/88/76/1120748876.db2.gz DIJUMCWGLUPDLI-SFHVURJKSA-N 1 3 349.588 3.865 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cccc(Cl)c1 ZINC000192786160 1120749236 /nfs/dbraw/zinc/74/92/36/1120749236.db2.gz NZZPBTOBMHYKHK-LJQANCHMSA-N 1 3 337.939 3.797 20 0 EHADHO CCc1nc2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C1CC1 ZINC000338778908 1128966716 /nfs/dbraw/zinc/96/67/16/1128966716.db2.gz FSHMBKAJEJBNCZ-GDBMZVCRSA-N 1 3 326.488 3.506 20 0 EHADHO CCc1nc2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1C1CC1 ZINC000338778908 1128966721 /nfs/dbraw/zinc/96/67/21/1128966721.db2.gz FSHMBKAJEJBNCZ-GDBMZVCRSA-N 1 3 326.488 3.506 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000237443689 1121483970 /nfs/dbraw/zinc/48/39/70/1121483970.db2.gz FCQYODGNTCJACE-JKSUJKDBSA-N 1 3 340.458 3.931 20 0 EHADHO Cc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397634438 1121843706 /nfs/dbraw/zinc/84/37/06/1121843706.db2.gz OZLIZFVVFWBRJB-KRWDZBQOSA-N 1 3 344.524 3.734 20 0 EHADHO CN1CCC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000068722521 1122688453 /nfs/dbraw/zinc/68/84/53/1122688453.db2.gz GAFXHZLXEBFBKO-CQSZACIVSA-N 1 3 341.480 3.988 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556238605 1122891303 /nfs/dbraw/zinc/89/13/03/1122891303.db2.gz CEYFMDZTZQSUSO-GXRSIYKFSA-N 1 3 342.527 3.692 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000763433401 1122995578 /nfs/dbraw/zinc/99/55/78/1122995578.db2.gz REBXURMNZAZTGW-LAUBAEHRSA-N 1 3 348.506 3.836 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000763433401 1122995579 /nfs/dbraw/zinc/99/55/79/1122995579.db2.gz REBXURMNZAZTGW-LAUBAEHRSA-N 1 3 348.506 3.836 20 0 EHADHO FC(F)COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134198856 1123500143 /nfs/dbraw/zinc/50/01/43/1123500143.db2.gz SVTCIHZMYHGXGS-UHFFFAOYSA-N 1 3 338.442 3.638 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918990 1123564504 /nfs/dbraw/zinc/56/45/04/1123564504.db2.gz FESUDMINQADNPZ-UYAOXDASSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918990 1123564507 /nfs/dbraw/zinc/56/45/07/1123564507.db2.gz FESUDMINQADNPZ-UYAOXDASSA-N 1 3 328.500 3.713 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000245470887 1123843700 /nfs/dbraw/zinc/84/37/00/1123843700.db2.gz WWPYBXNYYDDKRI-CLCXKQKWSA-N 1 3 340.458 3.752 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC2(OC)CCC2)cc1CN1CCCCC1 ZINC000180193087 1123959275 /nfs/dbraw/zinc/95/92/75/1123959275.db2.gz MDSIORRAGZKNQN-KRWDZBQOSA-N 1 3 346.515 3.901 20 0 EHADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)[C@@H](C)C2 ZINC000246065199 1124010722 /nfs/dbraw/zinc/01/07/22/1124010722.db2.gz ZLXLRYQNLXQWAC-JJCGOBCMSA-N 1 3 342.527 3.586 20 0 EHADHO C[C@H]1CC(CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)C1 ZINC000246211969 1124055260 /nfs/dbraw/zinc/05/52/60/1124055260.db2.gz KIELOYZWROOSLF-SFHLNBCPSA-N 1 3 335.580 3.551 20 0 EHADHO C[C@H]1CC(CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)C1 ZINC000246211969 1124055263 /nfs/dbraw/zinc/05/52/63/1124055263.db2.gz KIELOYZWROOSLF-SFHLNBCPSA-N 1 3 335.580 3.551 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000246837866 1124556246 /nfs/dbraw/zinc/55/62/46/1124556246.db2.gz BKQFGSMJKOIFHO-IJEWVQPXSA-N 1 3 344.421 3.754 20 0 EHADHO CCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000247064985 1124585194 /nfs/dbraw/zinc/58/51/94/1124585194.db2.gz OAGMEQOHOWTERL-SOLBZPMBSA-N 1 3 334.504 3.692 20 0 EHADHO C[C@H](CCc1ccccc1F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247112825 1124588932 /nfs/dbraw/zinc/58/89/32/1124588932.db2.gz TZJXYVHMBHHLNK-SQNIBIBYSA-N 1 3 336.495 3.626 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1CN1CCCCC1 ZINC000182958686 1125407864 /nfs/dbraw/zinc/40/78/64/1125407864.db2.gz DIXIQQCLJUSLDR-UWJYYQICSA-N 1 3 348.531 3.739 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC000543523522 1129937324 /nfs/dbraw/zinc/93/73/24/1129937324.db2.gz DZAURTNOGKFAAP-UHFFFAOYSA-N 1 3 335.580 3.552 20 0 EHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000674067342 1129996573 /nfs/dbraw/zinc/99/65/73/1129996573.db2.gz IJAUTCMTIPLAFV-LPHOPBHVSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1[nH]nc2ccccc21 ZINC000674067342 1129996576 /nfs/dbraw/zinc/99/65/76/1129996576.db2.gz IJAUTCMTIPLAFV-LPHOPBHVSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1[nH]nc2ccccc21 ZINC000674067342 1129996579 /nfs/dbraw/zinc/99/65/79/1129996579.db2.gz IJAUTCMTIPLAFV-LPHOPBHVSA-N 1 3 334.467 3.563 20 0 EHADHO COc1ccccc1OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000675814264 1130484891 /nfs/dbraw/zinc/48/48/91/1130484891.db2.gz RREJGMHOPYEKQE-UHFFFAOYSA-N 1 3 346.515 3.851 20 0 EHADHO COc1ccccc1OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675814264 1130484896 /nfs/dbraw/zinc/48/48/96/1130484896.db2.gz RREJGMHOPYEKQE-UHFFFAOYSA-N 1 3 346.515 3.851 20 0 EHADHO Cc1cc(NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)nc(N)n1 ZINC000732049728 1130883940 /nfs/dbraw/zinc/88/39/40/1130883940.db2.gz BGZMZNYYXKWXOX-RDJZCZTQSA-N 1 3 327.476 3.545 20 0 EHADHO Cc1cc(NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)nc(N)n1 ZINC000732049729 1130884078 /nfs/dbraw/zinc/88/40/78/1130884078.db2.gz BGZMZNYYXKWXOX-WBVHZDCISA-N 1 3 327.476 3.545 20 0 EHADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553314 1131089961 /nfs/dbraw/zinc/08/99/61/1131089961.db2.gz CUQPILGWQCQUIM-SFHVURJKSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553314 1131089965 /nfs/dbraw/zinc/08/99/65/1131089965.db2.gz CUQPILGWQCQUIM-SFHVURJKSA-N 1 3 340.515 3.606 20 0 EHADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(-c2cnn(C)c2)c1 ZINC000282553314 1131089970 /nfs/dbraw/zinc/08/99/70/1131089970.db2.gz CUQPILGWQCQUIM-SFHVURJKSA-N 1 3 340.515 3.606 20 0 EHADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001172786154 1131845918 /nfs/dbraw/zinc/84/59/18/1131845918.db2.gz QTNVLNSUBFLWBI-GUDVDZBRSA-N 1 3 348.531 3.519 20 0 EHADHO CCCN(C)C[C@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389693 1131909235 /nfs/dbraw/zinc/90/92/35/1131909235.db2.gz GYJRVIHFFGFYRU-MRXNPFEDSA-N 1 3 329.513 3.992 20 0 EHADHO CCCN(C)C[C@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000743389693 1131909238 /nfs/dbraw/zinc/90/92/38/1131909238.db2.gz GYJRVIHFFGFYRU-MRXNPFEDSA-N 1 3 329.513 3.992 20 0 EHADHO CO[C@H]1CCC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001172947207 1131916735 /nfs/dbraw/zinc/91/67/35/1131916735.db2.gz WZVGDLODDDNPGF-PMACEKPBSA-N 1 3 328.500 3.542 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001173085865 1131963728 /nfs/dbraw/zinc/96/37/28/1131963728.db2.gz GVDKQUGILKJOCY-CQSZACIVSA-N 1 3 342.405 3.544 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2c(F)ccc(OC)c2F)CC1 ZINC001173103981 1131967697 /nfs/dbraw/zinc/96/76/97/1131967697.db2.gz YJZCBFSLORVKBQ-UHFFFAOYSA-N 1 3 326.431 3.716 20 0 EHADHO COC(=O)CCCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001173445503 1132078406 /nfs/dbraw/zinc/07/84/06/1132078406.db2.gz POGLUHYLMIMMNC-KRWDZBQOSA-N 1 3 338.536 3.743 20 0 EHADHO CO[C@H](CN1CCC2(CC1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC001175210800 1132595206 /nfs/dbraw/zinc/59/52/06/1132595206.db2.gz FYRLBFWYHRQLPE-GOSISDBHSA-N 1 3 336.907 3.835 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101239 1132655714 /nfs/dbraw/zinc/65/57/14/1132655714.db2.gz PSIXHDWWSGSBNW-HAGHYFMRSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101239 1132655717 /nfs/dbraw/zinc/65/57/17/1132655717.db2.gz PSIXHDWWSGSBNW-HAGHYFMRSA-N 1 3 332.463 3.508 20 0 EHADHO FC1(F)CCC[C@@H]1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898845 1132891306 /nfs/dbraw/zinc/89/13/06/1132891306.db2.gz CQPAIOFCBRVHOV-CEXWTWQISA-N 1 3 334.454 3.876 20 0 EHADHO FC1(F)CCC[C@@H]1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001169898845 1132891314 /nfs/dbraw/zinc/89/13/14/1132891314.db2.gz CQPAIOFCBRVHOV-CEXWTWQISA-N 1 3 334.454 3.876 20 0 EHADHO CCC[N@H+](CC[C@@H]1CCCN1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892881 1133008618 /nfs/dbraw/zinc/00/86/18/1133008618.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 1 3 343.559 3.847 20 0 EHADHO CCC[N@@H+](CC[C@@H]1CCCN1C)C1CCN(Cc2ccccc2)CC1 ZINC001176892881 1133008621 /nfs/dbraw/zinc/00/86/21/1133008621.db2.gz YQGNZUUJZFEORI-NRFANRHFSA-N 1 3 343.559 3.847 20 0 EHADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccccc1N(C)C ZINC001177277297 1133051724 /nfs/dbraw/zinc/05/17/24/1133051724.db2.gz KFIOUUYWMPKVNJ-UHFFFAOYSA-N 1 3 325.500 3.883 20 0 EHADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccccc1N(C)C ZINC001177277297 1133051731 /nfs/dbraw/zinc/05/17/31/1133051731.db2.gz KFIOUUYWMPKVNJ-UHFFFAOYSA-N 1 3 325.500 3.883 20 0 EHADHO COc1cc(C)c(CNCc2ccccc2C[N@H+](C)C(C)C)c(C)n1 ZINC001177276787 1133052065 /nfs/dbraw/zinc/05/20/65/1133052065.db2.gz HBQCBHLDQHNUPC-UHFFFAOYSA-N 1 3 341.499 3.837 20 0 EHADHO COc1cc(C)c(CNCc2ccccc2C[N@@H+](C)C(C)C)c(C)n1 ZINC001177276787 1133052069 /nfs/dbraw/zinc/05/20/69/1133052069.db2.gz HBQCBHLDQHNUPC-UHFFFAOYSA-N 1 3 341.499 3.837 20 0 EHADHO C[C@H]1COCC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183930998 1133874146 /nfs/dbraw/zinc/87/41/46/1133874146.db2.gz YUWLRVIGDGOXKF-KNQAVFIVSA-N 1 3 344.543 3.893 20 0 EHADHO C[C@H]1COCC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001183930998 1133874149 /nfs/dbraw/zinc/87/41/49/1133874149.db2.gz YUWLRVIGDGOXKF-KNQAVFIVSA-N 1 3 344.543 3.893 20 0 EHADHO C[C@]1([NH3+])CCCN(Cc2ccc3ncc(Br)cc3c2)CC1 ZINC001205288899 1133886822 /nfs/dbraw/zinc/88/68/22/1133886822.db2.gz PXTRUXQJXROBDK-KRWDZBQOSA-N 1 3 348.288 3.701 20 0 EHADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@@H]2C1 ZINC001184387514 1133933481 /nfs/dbraw/zinc/93/34/81/1133933481.db2.gz LSZOGURFPGHQLJ-LEUPTONXSA-N 1 3 349.316 3.625 20 0 EHADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccn(C)c2)ccc1OC ZINC000775392774 1134710881 /nfs/dbraw/zinc/71/08/81/1134710881.db2.gz BBAZQPVPQHLXKT-INIZCTEOSA-N 1 3 329.488 3.726 20 0 EHADHO CCOC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716692372 1134989922 /nfs/dbraw/zinc/98/99/22/1134989922.db2.gz LKCBSFFIUUGHLG-WOZUAGRISA-N 1 3 330.516 3.690 20 0 EHADHO CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCCC1 ZINC000716732688 1135180421 /nfs/dbraw/zinc/18/04/21/1135180421.db2.gz QIGBKCMCOPLEAZ-WSWWRLHASA-N 1 3 342.527 3.834 20 0 EHADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2[nH]1 ZINC000775626680 1135351889 /nfs/dbraw/zinc/35/18/89/1135351889.db2.gz DFZKDXAMSBZXIQ-ONGXBYRLSA-N 1 3 341.499 3.586 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CC3)C2)ccn1 ZINC001196393801 1135554414 /nfs/dbraw/zinc/55/44/14/1135554414.db2.gz RZOBFFBMVFTLBZ-FQEVSTJZSA-N 1 3 331.504 3.565 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCC3CC3)C2)ccn1 ZINC001196393801 1135554417 /nfs/dbraw/zinc/55/44/17/1135554417.db2.gz RZOBFFBMVFTLBZ-FQEVSTJZSA-N 1 3 331.504 3.565 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128888 1135924466 /nfs/dbraw/zinc/92/44/66/1135924466.db2.gz AZCXXHFRDVRUKR-GOSISDBHSA-N 1 3 343.515 3.730 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001170670192 1136187267 /nfs/dbraw/zinc/18/72/67/1136187267.db2.gz QVYCNKAJMZWYTI-KRWDZBQOSA-N 1 3 334.454 3.819 20 0 EHADHO c1ccc2c(c1)cncc2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850362924 1136241549 /nfs/dbraw/zinc/24/15/49/1136241549.db2.gz VKIGCILCTCGUOD-UHFFFAOYSA-N 1 3 346.478 3.632 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000813631051 1136354336 /nfs/dbraw/zinc/35/43/36/1136354336.db2.gz USBOHAZASRAGOC-OAHLLOKOSA-N 1 3 325.456 3.554 20 0 EHADHO COc1ccc2c(c1)nccc2N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000813631051 1136354340 /nfs/dbraw/zinc/35/43/40/1136354340.db2.gz USBOHAZASRAGOC-OAHLLOKOSA-N 1 3 325.456 3.554 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000815561119 1136610894 /nfs/dbraw/zinc/61/08/94/1136610894.db2.gz YXUGVADILUZIFX-INIZCTEOSA-N 1 3 330.447 3.925 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000815615350 1136619044 /nfs/dbraw/zinc/61/90/44/1136619044.db2.gz NYSXJRPDZOIURF-UZLBHIALSA-N 1 3 342.458 3.552 20 0 EHADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000815615350 1136619046 /nfs/dbraw/zinc/61/90/46/1136619046.db2.gz NYSXJRPDZOIURF-UZLBHIALSA-N 1 3 342.458 3.552 20 0 EHADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)(C)O ZINC000815652066 1136626882 /nfs/dbraw/zinc/62/68/82/1136626882.db2.gz NTBOQGIOIDNCMJ-OXJNMPFZSA-N 1 3 348.531 3.881 20 0 EHADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000817947277 1136850252 /nfs/dbraw/zinc/85/02/52/1136850252.db2.gz BCSOLWDUQMSZBX-CYBMUJFWSA-N 1 3 338.373 3.937 20 0 EHADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000817949892 1136850437 /nfs/dbraw/zinc/85/04/37/1136850437.db2.gz SXPFHXOCPJTQNB-SFHVURJKSA-N 1 3 330.859 3.845 20 0 EHADHO Cc1c([C@H](C)NCc2ccc(CC[NH3+])cc2)cnn1-c1ccccc1 ZINC000817949993 1136851148 /nfs/dbraw/zinc/85/11/48/1136851148.db2.gz VZBTUYQPVZROFE-INIZCTEOSA-N 1 3 334.467 3.533 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+]C[C@]3(C)CCCNC3)CC2)cc1 ZINC000817966900 1136853016 /nfs/dbraw/zinc/85/30/16/1136853016.db2.gz YFFDSLGJPNRTOB-ATKRNPRHSA-N 1 3 344.543 3.920 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@]3(C)CCCNC3)CC2)cc1 ZINC000817966901 1136853405 /nfs/dbraw/zinc/85/34/05/1136853405.db2.gz YFFDSLGJPNRTOB-ORFBVSJDSA-N 1 3 344.543 3.920 20 0 EHADHO Cc1ccccc1[C@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000818982895 1136896266 /nfs/dbraw/zinc/89/62/66/1136896266.db2.gz VBSORODYPHUOEE-RBBKRZOGSA-N 1 3 338.495 3.530 20 0 EHADHO Cc1ccccc1[C@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982895 1136896270 /nfs/dbraw/zinc/89/62/70/1136896270.db2.gz VBSORODYPHUOEE-RBBKRZOGSA-N 1 3 338.495 3.530 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@@H]2CCCc3c[nH]nc32)C[N@@H+]1Cc1ccccc1 ZINC000857858500 1136914051 /nfs/dbraw/zinc/91/40/51/1136914051.db2.gz NRONLRXBEVRMPT-YVWKXTFCSA-N 1 3 338.499 3.677 20 0 EHADHO C[C@@H]1C[C@@H](CCN[C@@H]2CCCc3c[nH]nc32)C[N@H+]1Cc1ccccc1 ZINC000857858500 1136914054 /nfs/dbraw/zinc/91/40/54/1136914054.db2.gz NRONLRXBEVRMPT-YVWKXTFCSA-N 1 3 338.499 3.677 20 0 EHADHO Fc1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)ccn1 ZINC000858131177 1136942370 /nfs/dbraw/zinc/94/23/70/1136942370.db2.gz MOVYPLXDAVEGNM-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO Fc1cccc2[nH]cc(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c21 ZINC001136984439 1137164222 /nfs/dbraw/zinc/16/42/22/1137164222.db2.gz LEQFGUQRKGRFJW-OALUTQOASA-N 1 3 349.453 3.871 20 0 EHADHO CC[C@H](NCCC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000866468792 1137357212 /nfs/dbraw/zinc/35/72/12/1137357212.db2.gz COOLLNFULOLYNQ-FQEVSTJZSA-N 1 3 340.515 3.763 20 0 EHADHO CCC[NH+]1CCC(N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000866609858 1137368812 /nfs/dbraw/zinc/36/88/12/1137368812.db2.gz VZCBWTFBMOPSCG-FGTMMUONSA-N 1 3 349.316 3.551 20 0 EHADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000867987539 1137392509 /nfs/dbraw/zinc/39/25/09/1137392509.db2.gz NCXRZCCRJVLJOU-OXJNMPFZSA-N 1 3 349.478 3.504 20 0 EHADHO CCC[NH+]1CCC(N(C)Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282767575 1137447125 /nfs/dbraw/zinc/44/71/25/1137447125.db2.gz JEEJZQAILGUULL-UHFFFAOYSA-N 1 3 340.515 3.702 20 0 EHADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716635328 1137488063 /nfs/dbraw/zinc/48/80/63/1137488063.db2.gz FHQMEITZNRZDQH-UHZRXMQZSA-N 1 3 330.541 3.913 20 0 EHADHO CC(C)OCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716688806 1137488462 /nfs/dbraw/zinc/48/84/62/1137488462.db2.gz BCAVXFAZMFXLFQ-ACRUOGEOSA-N 1 3 330.516 3.834 20 0 EHADHO Cc1cccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000716708578 1137488577 /nfs/dbraw/zinc/48/85/77/1137488577.db2.gz RCHROVLMKOJLDY-NNWRFLSQSA-N 1 3 335.495 3.575 20 0 EHADHO COC(=O)CC1(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)CCCCC1 ZINC001171623999 1137501367 /nfs/dbraw/zinc/50/13/67/1137501367.db2.gz KQMTZVPMPXMYTK-UHFFFAOYSA-N 1 3 338.536 3.741 20 0 EHADHO Cc1ccnc(O[C@H]2CCCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)c1 ZINC001171641687 1137504524 /nfs/dbraw/zinc/50/45/24/1137504524.db2.gz SZZBOQYUOBCRNF-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1ccnc(O[C@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641687 1137504526 /nfs/dbraw/zinc/50/45/26/1137504526.db2.gz SZZBOQYUOBCRNF-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1ccnc(O[C@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641687 1137504528 /nfs/dbraw/zinc/50/45/28/1137504528.db2.gz SZZBOQYUOBCRNF-SFHVURJKSA-N 1 3 345.531 3.885 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC1(C)C ZINC001171644700 1137505042 /nfs/dbraw/zinc/50/50/42/1137505042.db2.gz KNQLFSFBXRWYIB-ROUUACIJSA-N 1 3 339.543 3.536 20 0 EHADHO CCC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969173 1137523358 /nfs/dbraw/zinc/52/33/58/1137523358.db2.gz ZORNABNZDZEWMD-USXIJHARSA-N 1 3 340.433 3.910 20 0 EHADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969173 1137523359 /nfs/dbraw/zinc/52/33/59/1137523359.db2.gz ZORNABNZDZEWMD-USXIJHARSA-N 1 3 340.433 3.910 20 0 EHADHO CC1(C)C[C@H]([NH+]2CCC3(CCOC3)CC2)CCN1Cc1ccccc1 ZINC001171977782 1137525877 /nfs/dbraw/zinc/52/58/77/1137525877.db2.gz ULCVNQYDWUMGJM-HXUWFJFHSA-N 1 3 342.527 3.932 20 0 EHADHO CN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062696 1137532892 /nfs/dbraw/zinc/53/28/92/1137532892.db2.gz QSNOQJLDWVWZGN-KJJMTIBFSA-N 1 3 341.543 3.646 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001172127146 1137535207 /nfs/dbraw/zinc/53/52/07/1137535207.db2.gz HCYNETFUYLOEMY-PMOLBWCYSA-N 1 3 340.511 3.683 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3(CC(OCc4ccccc4)C3)C1)C2 ZINC001172127146 1137535208 /nfs/dbraw/zinc/53/52/08/1137535208.db2.gz HCYNETFUYLOEMY-PMOLBWCYSA-N 1 3 340.511 3.683 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(N3CCCCC3)c1)C2 ZINC001172102409 1137536376 /nfs/dbraw/zinc/53/63/76/1137536376.db2.gz MOYMWVLUOXSUEO-ACDBMABISA-N 1 3 327.516 3.782 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(N3CCCCC3)c1)C2 ZINC001172102409 1137536378 /nfs/dbraw/zinc/53/63/78/1137536378.db2.gz MOYMWVLUOXSUEO-ACDBMABISA-N 1 3 327.516 3.782 20 0 EHADHO COc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1C(F)(F)F ZINC001172106144 1137536563 /nfs/dbraw/zinc/53/65/63/1137536563.db2.gz MVSYTZBIQZZHMT-QDMKHBRRSA-N 1 3 342.405 3.819 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(-c3nccs3)cc1)C2 ZINC001172110276 1137536990 /nfs/dbraw/zinc/53/69/90/1137536990.db2.gz MEMQHZKOFUQZOI-NNZMDNLPSA-N 1 3 327.497 3.915 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(-c3nccs3)cc1)C2 ZINC001172110276 1137536992 /nfs/dbraw/zinc/53/69/92/1137536992.db2.gz MEMQHZKOFUQZOI-NNZMDNLPSA-N 1 3 327.497 3.915 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3nccs3)cc1)C2 ZINC001172110276 1137536994 /nfs/dbraw/zinc/53/69/94/1137536994.db2.gz MEMQHZKOFUQZOI-NNZMDNLPSA-N 1 3 327.497 3.915 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112963 1137537475 /nfs/dbraw/zinc/53/74/75/1137537475.db2.gz HEHLHXKRDUXSJP-FCIYXJNOSA-N 1 3 335.495 3.908 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001172112963 1137537477 /nfs/dbraw/zinc/53/74/77/1137537477.db2.gz HEHLHXKRDUXSJP-FCIYXJNOSA-N 1 3 335.495 3.908 20 0 EHADHO CC(C)OC[C@@H](Cc1ccc(F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000872029781 1137566164 /nfs/dbraw/zinc/56/61/64/1137566164.db2.gz SFRCHYCRWAUXSG-HXUWFJFHSA-N 1 3 348.506 3.768 20 0 EHADHO Fc1cccc2c1SCC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000873236809 1137594814 /nfs/dbraw/zinc/59/48/14/1137594814.db2.gz FIBTVVJZRXFROO-GOSISDBHSA-N 1 3 328.456 3.798 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2ncccc12 ZINC000873282109 1137596298 /nfs/dbraw/zinc/59/62/98/1137596298.db2.gz BWQGRSOIVCLNRM-IFMALSPDSA-N 1 3 345.446 3.580 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000876989768 1137667091 /nfs/dbraw/zinc/66/70/91/1137667091.db2.gz FGSPUFYHLCOGNI-HJPURHCSSA-N 1 3 344.480 3.954 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2ccc(Cl)nn2)C[N@@H+]1Cc1ccccc1 ZINC000877119865 1137670704 /nfs/dbraw/zinc/67/07/04/1137670704.db2.gz BSPYYARBUWVNIU-WBVHZDCISA-N 1 3 344.890 3.520 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000877119865 1137670705 /nfs/dbraw/zinc/67/07/05/1137670705.db2.gz BSPYYARBUWVNIU-WBVHZDCISA-N 1 3 344.890 3.520 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)O2)cc1 ZINC000878286895 1137709974 /nfs/dbraw/zinc/70/99/74/1137709974.db2.gz UXKYDZRDDJGJAY-NMIHRBCNSA-N 1 3 340.511 3.855 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)O2)cc1 ZINC000878286895 1137709975 /nfs/dbraw/zinc/70/99/75/1137709975.db2.gz UXKYDZRDDJGJAY-NMIHRBCNSA-N 1 3 340.511 3.855 20 0 EHADHO C[NH+]1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3)CC2)CC1 ZINC000879248676 1137742441 /nfs/dbraw/zinc/74/24/41/1137742441.db2.gz XBHOCANTDXKZQU-UHFFFAOYSA-N 1 3 328.287 3.696 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1 ZINC000348255151 1137883778 /nfs/dbraw/zinc/88/37/78/1137883778.db2.gz RKBVEOJAEAQWEL-QGZVFWFLSA-N 1 3 340.515 3.953 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000348255151 1137883779 /nfs/dbraw/zinc/88/37/79/1137883779.db2.gz RKBVEOJAEAQWEL-QGZVFWFLSA-N 1 3 340.515 3.953 20 0 EHADHO CC[NH+](CC)Cc1cccc(CN[C@H](c2cnn(C)c2)C(C)C)c1 ZINC000886506283 1138085780 /nfs/dbraw/zinc/08/57/80/1138085780.db2.gz KOZPMGXVKCXRIJ-FQEVSTJZSA-N 1 3 328.504 3.749 20 0 EHADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886623729 1138103241 /nfs/dbraw/zinc/10/32/41/1138103241.db2.gz MLBMBFIABNKSPL-UQVNRYHBSA-N 1 3 328.500 3.585 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2noc3ccc(F)cc32)CC1 ZINC000886646438 1138105923 /nfs/dbraw/zinc/10/59/23/1138105923.db2.gz JFNLSWSSWIJJMW-UHFFFAOYSA-N 1 3 331.435 3.854 20 0 EHADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000089512963 1138200792 /nfs/dbraw/zinc/20/07/92/1138200792.db2.gz DJJBQCDMBVALSG-INIZCTEOSA-N 1 3 334.504 3.625 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c(C)s1 ZINC000090936881 1138214226 /nfs/dbraw/zinc/21/42/26/1138214226.db2.gz GLXXYHYIOLQETA-CQSZACIVSA-N 1 3 333.501 3.551 20 0 EHADHO COCCc1nc(C)c([C@@H](C)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000092737806 1138231356 /nfs/dbraw/zinc/23/13/56/1138231356.db2.gz RYECOZPBRBKBBT-CQSZACIVSA-N 1 3 347.528 3.553 20 0 EHADHO COc1cc(CNCC[NH+]2CCCC2)c(-c2ccccc2)cc1OC ZINC000337313604 1138529152 /nfs/dbraw/zinc/52/91/52/1138529152.db2.gz WEIOKLBISWONOS-UHFFFAOYSA-N 1 3 340.467 3.556 20 0 EHADHO CCc1ccc([C@H](CC)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132942788 1138612249 /nfs/dbraw/zinc/61/22/49/1138612249.db2.gz XZCWGONQRLXLRA-NQIIRXRSSA-N 1 3 330.516 3.791 20 0 EHADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133050358 1138617559 /nfs/dbraw/zinc/61/75/59/1138617559.db2.gz RKCIKFWRHCWXIA-QZTJIDSGSA-N 1 3 346.515 3.625 20 0 EHADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000337881487 1138689594 /nfs/dbraw/zinc/68/95/94/1138689594.db2.gz YMPQTQMQTNKBTK-LJQANCHMSA-N 1 3 328.431 3.673 20 0 EHADHO COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1SC ZINC000134882158 1138710081 /nfs/dbraw/zinc/71/00/81/1138710081.db2.gz HKUABMWXJMNKKO-AEFFLSMTSA-N 1 3 346.540 3.866 20 0 EHADHO COc1cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1SC ZINC000134882158 1138710082 /nfs/dbraw/zinc/71/00/82/1138710082.db2.gz HKUABMWXJMNKKO-AEFFLSMTSA-N 1 3 346.540 3.866 20 0 EHADHO COc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1C ZINC000177985601 1139660694 /nfs/dbraw/zinc/66/06/94/1139660694.db2.gz UXOWQOKXIPAYFK-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000182232513 1139960423 /nfs/dbraw/zinc/96/04/23/1139960423.db2.gz XPYFMKODGGIAFY-IIBYNOLFSA-N 1 3 342.458 3.633 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000182232513 1139960427 /nfs/dbraw/zinc/96/04/27/1139960427.db2.gz XPYFMKODGGIAFY-IIBYNOLFSA-N 1 3 342.458 3.633 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155513 1140017060 /nfs/dbraw/zinc/01/70/60/1140017060.db2.gz XGWPKTBSLCFYLG-JSXRDJHFSA-N 1 3 342.527 3.834 20 0 EHADHO CCCN1CCC([NH2+]C[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000186379463 1140200876 /nfs/dbraw/zinc/20/08/76/1140200876.db2.gz BBQCBEMBPKVYCG-FQEVSTJZSA-N 1 3 334.504 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000192747457 1140549723 /nfs/dbraw/zinc/54/97/23/1140549723.db2.gz IAVYMJOWGVLRRE-NQIIRXRSSA-N 1 3 347.522 3.625 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000192747457 1140549729 /nfs/dbraw/zinc/54/97/29/1140549729.db2.gz IAVYMJOWGVLRRE-NQIIRXRSSA-N 1 3 347.522 3.625 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000268866567 1141012239 /nfs/dbraw/zinc/01/22/39/1141012239.db2.gz NVKLJADDDKOWMR-XMSQKQJNSA-N 1 3 341.543 3.504 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000269053159 1141055514 /nfs/dbraw/zinc/05/55/14/1141055514.db2.gz IPQSCMHDAMRKLA-IPELMVKDSA-N 1 3 346.519 3.740 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402510 1141218111 /nfs/dbraw/zinc/21/81/11/1141218111.db2.gz AHLZOWSTHJQZED-KGVIQGDOSA-N 1 3 338.495 3.883 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(CO)c1 ZINC000270402510 1141218117 /nfs/dbraw/zinc/21/81/17/1141218117.db2.gz AHLZOWSTHJQZED-KGVIQGDOSA-N 1 3 338.495 3.883 20 0 EHADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000298269808 522563329 /nfs/dbraw/zinc/56/33/29/522563329.db2.gz GHFWRACLYVYNBX-FQEVSTJZSA-N 1 3 325.456 3.800 20 0 EHADHO Fc1ccc(/C=C\CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000904475392 1032070222 /nfs/dbraw/zinc/07/02/22/1032070222.db2.gz OLTPINOJFYMQMO-ZGYKYGCBSA-N 1 3 338.426 3.684 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000339341652 1014237146 /nfs/dbraw/zinc/23/71/46/1014237146.db2.gz DOMMEUIPISNVKT-FQEVSTJZSA-N 1 3 344.886 3.505 20 0 EHADHO Cc1cc(Cl)cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000339341652 1014237154 /nfs/dbraw/zinc/23/71/54/1014237154.db2.gz DOMMEUIPISNVKT-FQEVSTJZSA-N 1 3 344.886 3.505 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000154234003 1015267381 /nfs/dbraw/zinc/26/73/81/1015267381.db2.gz HBKMRXISSYSGQS-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO CC(C)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000538098483 1032139803 /nfs/dbraw/zinc/13/98/03/1032139803.db2.gz HERWJIGPOHYXSX-WMLDXEAASA-N 1 3 345.314 3.737 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649536 1016141609 /nfs/dbraw/zinc/14/16/09/1016141609.db2.gz ZOWGVTGMGJNYMU-CXAGYDPISA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649536 1016141616 /nfs/dbraw/zinc/14/16/16/1016141616.db2.gz ZOWGVTGMGJNYMU-CXAGYDPISA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649534 1016141672 /nfs/dbraw/zinc/14/16/72/1016141672.db2.gz ZOWGVTGMGJNYMU-SUMWQHHRSA-N 1 3 337.305 3.974 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037649534 1016141679 /nfs/dbraw/zinc/14/16/79/1016141679.db2.gz ZOWGVTGMGJNYMU-SUMWQHHRSA-N 1 3 337.305 3.974 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)c(Br)c1 ZINC000624119492 1016480060 /nfs/dbraw/zinc/48/00/60/1016480060.db2.gz CUYHJTZMGFYAPV-OLZOCXBDSA-N 1 3 343.284 3.971 20 0 EHADHO Cc1ccc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C2CC2)cc1 ZINC000538115835 1032155088 /nfs/dbraw/zinc/15/50/88/1032155088.db2.gz CJVGVTCRODHSJF-OPYAIIAOSA-N 1 3 330.516 3.925 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637587 1032193543 /nfs/dbraw/zinc/19/35/43/1032193543.db2.gz SNPGOZXXELOJMX-XMSQKQJNSA-N 1 3 338.495 3.976 20 0 EHADHO COCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379637587 1032193547 /nfs/dbraw/zinc/19/35/47/1032193547.db2.gz SNPGOZXXELOJMX-XMSQKQJNSA-N 1 3 338.495 3.976 20 0 EHADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000449159891 1032272442 /nfs/dbraw/zinc/27/24/42/1032272442.db2.gz JLUDPHSFUIFKDS-KRWDZBQOSA-N 1 3 332.536 3.536 20 0 EHADHO C[C@@H]([NH2+]Cc1cc2cccnc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449223149 1032340685 /nfs/dbraw/zinc/34/06/85/1032340685.db2.gz FBYPICILOPIDBZ-APWZRJJASA-N 1 3 335.451 3.828 20 0 EHADHO Cc1cccc([C@H](O)CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000905123460 1032353070 /nfs/dbraw/zinc/35/30/70/1032353070.db2.gz YPMVJSLUGVSOQL-PGRDOPGGSA-N 1 3 338.495 3.844 20 0 EHADHO Cc1cccc2c1ncc(C)c2N1CCC(OCCC[NH+](C)C)CC1 ZINC000185340154 1032381194 /nfs/dbraw/zinc/38/11/94/1032381194.db2.gz PFMUPKXGWWAUII-UHFFFAOYSA-N 1 3 341.499 3.789 20 0 EHADHO COc1cccc2c1C[C@H](NC1CC[NH+]([C@H]3CCCC[C@@H]3C)CC1)C2 ZINC000459715309 1032443371 /nfs/dbraw/zinc/44/33/71/1032443371.db2.gz YQUZANFOOJDROI-SCWSEQNSSA-N 1 3 342.527 3.795 20 0 EHADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)c3ccccn3)CC2)C1 ZINC000449394571 1032502190 /nfs/dbraw/zinc/50/21/90/1032502190.db2.gz GQFJUKYQMMFLPZ-IEBWSBKVSA-N 1 3 329.532 3.992 20 0 EHADHO Cc1cccnc1CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449486069 1032642627 /nfs/dbraw/zinc/64/26/27/1032642627.db2.gz SMJKMYOSEZVMKL-NQIIRXRSSA-N 1 3 329.532 3.955 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000606432087 1032677555 /nfs/dbraw/zinc/67/75/55/1032677555.db2.gz NQFLTAMARMZYOZ-XQBPLPMBSA-N 1 3 341.543 3.554 20 0 EHADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000606432087 1032677559 /nfs/dbraw/zinc/67/75/59/1032677559.db2.gz NQFLTAMARMZYOZ-XQBPLPMBSA-N 1 3 341.543 3.554 20 0 EHADHO Cc1cccnc1CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449503616 1032684014 /nfs/dbraw/zinc/68/40/14/1032684014.db2.gz XUYCYEAGQFROEQ-IBGZPJMESA-N 1 3 337.511 3.618 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cccc2c1OC(F)(F)O2)c1ccccc1 ZINC000415056236 1017480680 /nfs/dbraw/zinc/48/06/80/1017480680.db2.gz PPPDJWUVQYYXIS-OAHLLOKOSA-N 1 3 334.366 3.578 20 0 EHADHO c1cnn(Cc2cccc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1 ZINC000415077755 1017512450 /nfs/dbraw/zinc/51/24/50/1017512450.db2.gz FFXBXFQRRGSKMS-FCHUYYIVSA-N 1 3 346.478 3.514 20 0 EHADHO [NH3+][C@@H]1C[C@H](NCCc2cccc(Br)c2)c2ccccc21 ZINC000313735094 1017526265 /nfs/dbraw/zinc/52/62/65/1017526265.db2.gz GPNGUCICJKXTDC-SJORKVTESA-N 1 3 331.257 3.726 20 0 EHADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000415087340 1017532857 /nfs/dbraw/zinc/53/28/57/1017532857.db2.gz STVBFNSORPDYBB-KZNAEPCWSA-N 1 3 335.561 3.641 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415114571 1017568197 /nfs/dbraw/zinc/56/81/97/1017568197.db2.gz VRUUSPXGUACBPE-MOPGFXCFSA-N 1 3 336.907 3.621 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415114572 1017568216 /nfs/dbraw/zinc/56/82/16/1017568216.db2.gz VRUUSPXGUACBPE-OALUTQOASA-N 1 3 336.907 3.621 20 0 EHADHO C[NH2+]CCC1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000070188925 1017866334 /nfs/dbraw/zinc/86/63/34/1017866334.db2.gz SHDRHWOONIASLA-CYBMUJFWSA-N 1 3 325.294 3.832 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000564824545 1019266063 /nfs/dbraw/zinc/26/60/63/1019266063.db2.gz ITUQLQLSTNXZMK-VNTMZGSJSA-N 1 3 349.950 3.843 20 0 EHADHO CC[N@@H+](Cc1ccc(COC)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818720 1032908921 /nfs/dbraw/zinc/90/89/21/1032908921.db2.gz HOOUCGHTLIALDY-IBGZPJMESA-N 1 3 342.483 3.770 20 0 EHADHO CC[N@H+](Cc1ccc(COC)o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818720 1032908925 /nfs/dbraw/zinc/90/89/25/1032908925.db2.gz HOOUCGHTLIALDY-IBGZPJMESA-N 1 3 342.483 3.770 20 0 EHADHO CCN(Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818762 1032910467 /nfs/dbraw/zinc/91/04/67/1032910467.db2.gz UJUHXZKMECBSBG-IBGZPJMESA-N 1 3 348.494 3.907 20 0 EHADHO CCN(Cc1cccc2c[nH]nc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818762 1032910477 /nfs/dbraw/zinc/91/04/77/1032910477.db2.gz UJUHXZKMECBSBG-IBGZPJMESA-N 1 3 348.494 3.907 20 0 EHADHO CC(C)[C@@](C)(C[NH3+])NCCOC(c1ccccc1)c1ccccc1 ZINC000430600456 1020892217 /nfs/dbraw/zinc/89/22/17/1020892217.db2.gz XZRXIKNSISASIU-OAQYLSRUSA-N 1 3 326.484 3.756 20 0 EHADHO COCC[N@H+](C)CC[C@@H](Nc1ccnc2ccccc21)c1ccccc1 ZINC000518927635 1021693542 /nfs/dbraw/zinc/69/35/42/1021693542.db2.gz WQFNAZFOORIFQD-HXUWFJFHSA-N 1 3 349.478 3.778 20 0 EHADHO COCC[N@@H+](C)CC[C@@H](Nc1ccnc2ccccc21)c1ccccc1 ZINC000518927635 1021693546 /nfs/dbraw/zinc/69/35/46/1021693546.db2.gz WQFNAZFOORIFQD-HXUWFJFHSA-N 1 3 349.478 3.778 20 0 EHADHO CCCN1CCC([N@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000510470040 1021960731 /nfs/dbraw/zinc/96/07/31/1021960731.db2.gz SENYXEFDHQXZMF-UHFFFAOYSA-N 1 3 343.284 3.894 20 0 EHADHO CCCN1CCC([N@@H+](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000510470040 1021960742 /nfs/dbraw/zinc/96/07/42/1021960742.db2.gz SENYXEFDHQXZMF-UHFFFAOYSA-N 1 3 343.284 3.894 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCc1ccc2ccccc2c1 ZINC000441261169 1022107960 /nfs/dbraw/zinc/10/79/60/1022107960.db2.gz HINQOONIZSZRDY-YPAWHYETSA-N 1 3 338.495 3.566 20 0 EHADHO CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000517236297 1022156627 /nfs/dbraw/zinc/15/66/27/1022156627.db2.gz QIMRIGSXLXGZBH-OAQYLSRUSA-N 1 3 340.515 3.721 20 0 EHADHO CN1CCN(CC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000441341943 1022179969 /nfs/dbraw/zinc/17/99/69/1022179969.db2.gz QBULWKSAAPKBDC-NHCUHLMSSA-N 1 3 343.559 3.719 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC000441382785 1022185394 /nfs/dbraw/zinc/18/53/94/1022185394.db2.gz LGIBSZAVMXWUFD-SESVDKBCSA-N 1 3 343.559 3.574 20 0 EHADHO c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000668512146 1022405923 /nfs/dbraw/zinc/40/59/23/1022405923.db2.gz KAVRIRJDUXVPNK-YADHBBJMSA-N 1 3 335.495 3.687 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891746173 1022529162 /nfs/dbraw/zinc/52/91/62/1022529162.db2.gz QURKGSWWRIAYJJ-UHFFFAOYSA-N 1 3 332.536 3.630 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891746173 1022529172 /nfs/dbraw/zinc/52/91/72/1022529172.db2.gz QURKGSWWRIAYJJ-UHFFFAOYSA-N 1 3 332.536 3.630 20 0 EHADHO Cc1ccccc1[C@@H](C)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993857 1022610488 /nfs/dbraw/zinc/61/04/88/1022610488.db2.gz MXCNAICPCCSKEB-KNQAVFIVSA-N 1 3 338.495 3.625 20 0 EHADHO Cc1ccccc1[C@@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993857 1022610491 /nfs/dbraw/zinc/61/04/91/1022610491.db2.gz MXCNAICPCCSKEB-KNQAVFIVSA-N 1 3 338.495 3.625 20 0 EHADHO CN1CC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000517766744 1022646829 /nfs/dbraw/zinc/64/68/29/1022646829.db2.gz YOKPKXPFQFPFQY-VHDGCEQUSA-N 1 3 343.298 3.835 20 0 EHADHO CCCN1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000091467514 1022945219 /nfs/dbraw/zinc/94/52/19/1022945219.db2.gz UHAGBMXUZDJQNS-UHFFFAOYSA-N 1 3 325.294 3.722 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414948181 1022974029 /nfs/dbraw/zinc/97/40/29/1022974029.db2.gz LSNPRYOWRPBPBX-XYPHTWIQSA-N 1 3 339.321 3.890 20 0 EHADHO c1[nH]nc2cc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc12 ZINC000520467143 1023008313 /nfs/dbraw/zinc/00/83/13/1023008313.db2.gz DBZUJYQUTHFWRL-RTWAWAEBSA-N 1 3 346.478 3.517 20 0 EHADHO c1[nH]nc2cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc12 ZINC000520467143 1023008323 /nfs/dbraw/zinc/00/83/23/1023008323.db2.gz DBZUJYQUTHFWRL-RTWAWAEBSA-N 1 3 346.478 3.517 20 0 EHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565125 1023451187 /nfs/dbraw/zinc/45/11/87/1023451187.db2.gz VKMYSSCBDJMYRE-AOCRQIFASA-N 1 3 338.536 3.597 20 0 EHADHO COc1cc2ccc([C@H](C)NC[C@H]3CCC[N@H+](C)C3)cc2cc1OC ZINC000657875939 1033155473 /nfs/dbraw/zinc/15/54/73/1033155473.db2.gz JTSBVGYTCISFNQ-JKSUJKDBSA-N 1 3 342.483 3.849 20 0 EHADHO COc1cc2ccc([C@H](C)NC[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000657875939 1033155484 /nfs/dbraw/zinc/15/54/84/1033155484.db2.gz JTSBVGYTCISFNQ-JKSUJKDBSA-N 1 3 342.483 3.849 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168006327 1024411102 /nfs/dbraw/zinc/41/11/02/1024411102.db2.gz NEPMMPIUPWRTPZ-CEQLMSFQSA-N 1 3 329.532 3.504 20 0 EHADHO Cc1ccc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)o1 ZINC000648419053 1024438567 /nfs/dbraw/zinc/43/85/67/1024438567.db2.gz HAAHDTXJSNHRNF-KRWDZBQOSA-N 1 3 326.484 3.816 20 0 EHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1OC ZINC000474482695 1025039058 /nfs/dbraw/zinc/03/90/58/1025039058.db2.gz OEFYUKHTKUMLLB-ROUUACIJSA-N 1 3 348.531 3.907 20 0 EHADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428221393 1025055292 /nfs/dbraw/zinc/05/52/92/1025055292.db2.gz KHWGCGVRMJHHBV-QHGDMDKLSA-N 1 3 344.543 3.674 20 0 EHADHO CC1CC[NH+](CCCCNCc2cnc(C(F)(F)F)s2)CC1 ZINC000443984380 1025155286 /nfs/dbraw/zinc/15/52/86/1025155286.db2.gz IXIJLKWGEFPOHB-UHFFFAOYSA-N 1 3 335.439 3.764 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1OC ZINC000474601871 1025189216 /nfs/dbraw/zinc/18/92/16/1025189216.db2.gz MHPRSEIHWWQYEY-KZNAEPCWSA-N 1 3 348.531 3.907 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000623861044 1025288206 /nfs/dbraw/zinc/28/82/06/1025288206.db2.gz NBQVAYXOIYFWAZ-NWDGAFQWSA-N 1 3 330.369 3.979 20 0 EHADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2ccccc2o1 ZINC000442870009 1025543462 /nfs/dbraw/zinc/54/34/62/1025543462.db2.gz CLAQGSWOJJWCDM-HXUWFJFHSA-N 1 3 343.515 3.746 20 0 EHADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cc(Br)cs1 ZINC000582242322 1025656110 /nfs/dbraw/zinc/65/61/10/1025656110.db2.gz YTVJWUQULHPWIB-SNVBAGLBSA-N 1 3 325.275 3.820 20 0 EHADHO C[C@@H]1CC(N2CC[C@@H]3CCO[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044108 1025816976 /nfs/dbraw/zinc/81/69/76/1025816976.db2.gz FIDIUTVCIBJWEL-ZJSJBZJDSA-N 1 3 328.500 3.539 20 0 EHADHO Cc1nc(C)c(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000119790925 1025972847 /nfs/dbraw/zinc/97/28/47/1025972847.db2.gz YYWFHSMJPPQLTB-ZDUSSCGKSA-N 1 3 333.501 3.551 20 0 EHADHO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(-n2ccnc2)cc1 ZINC000342820812 1027422871 /nfs/dbraw/zinc/42/28/71/1027422871.db2.gz ACTBWUDFRHURLH-HNNXBMFYSA-N 1 3 331.423 3.642 20 0 EHADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000459302686 1027430873 /nfs/dbraw/zinc/43/08/73/1027430873.db2.gz NMXSLKUECGFZQM-UHFFFAOYSA-N 1 3 334.504 3.735 20 0 EHADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000459302686 1027430882 /nfs/dbraw/zinc/43/08/82/1027430882.db2.gz NMXSLKUECGFZQM-UHFFFAOYSA-N 1 3 334.504 3.735 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453133803 1027438161 /nfs/dbraw/zinc/43/81/61/1027438161.db2.gz RJGKICYVXOMKBX-BBWFWOEESA-N 1 3 326.406 3.972 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453133803 1027438172 /nfs/dbraw/zinc/43/81/72/1027438172.db2.gz RJGKICYVXOMKBX-BBWFWOEESA-N 1 3 326.406 3.972 20 0 EHADHO Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000420320430 1027466767 /nfs/dbraw/zinc/46/67/67/1027466767.db2.gz QFJOAPDRSLXZBX-PXNSSMCTSA-N 1 3 338.499 3.912 20 0 EHADHO C[C@H](c1cccc(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321911 1027469429 /nfs/dbraw/zinc/46/94/29/1027469429.db2.gz VZXFQXCRGPBZHO-CZUORRHYSA-N 1 3 337.305 3.832 20 0 EHADHO Fc1cc([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420374061 1027512977 /nfs/dbraw/zinc/51/29/77/1027512977.db2.gz NBTVWXDCQLSPLT-BLLLJJGKSA-N 1 3 341.268 3.725 20 0 EHADHO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613916 1027653581 /nfs/dbraw/zinc/65/35/81/1027653581.db2.gz WRTFDSRPSGSJDP-UTKZUKDTSA-N 1 3 327.516 3.876 20 0 EHADHO N[C@H]1C[C@@H]([NH2+]CCc2cc(Br)ccc2F)c2ccccc21 ZINC000422706421 1027864643 /nfs/dbraw/zinc/86/46/43/1027864643.db2.gz UIYDBDRSWGWLRS-DLBZAZTESA-N 1 3 349.247 3.865 20 0 EHADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000422750759 1027918790 /nfs/dbraw/zinc/91/87/90/1027918790.db2.gz BLDDGMYXLSHIDC-NOLJZWGESA-N 1 3 325.294 3.878 20 0 EHADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCO[C@@H](C)c1ccccc1 ZINC000422779705 1027937247 /nfs/dbraw/zinc/93/72/47/1027937247.db2.gz GJHCKKFIEPJUFB-LQWHRVPQSA-N 1 3 326.484 3.702 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000422807108 1027957029 /nfs/dbraw/zinc/95/70/29/1027957029.db2.gz OGOXPTWKWSJYEU-VXGBXAGGSA-N 1 3 335.398 3.862 20 0 EHADHO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)s2)cc1 ZINC000422817899 1027984663 /nfs/dbraw/zinc/98/46/63/1027984663.db2.gz FEMAAFFMPUMRDP-KBXCAEBGSA-N 1 3 330.497 3.901 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cnccc1N ZINC000422852755 1027990181 /nfs/dbraw/zinc/99/01/81/1027990181.db2.gz BGAZLVDGNKPRDQ-DLBZAZTESA-N 1 3 338.499 3.577 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cnccc1N ZINC000422852755 1027990198 /nfs/dbraw/zinc/99/01/98/1027990198.db2.gz BGAZLVDGNKPRDQ-DLBZAZTESA-N 1 3 338.499 3.577 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000422904214 1028035835 /nfs/dbraw/zinc/03/58/35/1028035835.db2.gz PXEFZAOMJFRFHN-YJBOKZPZSA-N 1 3 329.419 3.620 20 0 EHADHO CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422943299 1028070202 /nfs/dbraw/zinc/07/02/02/1028070202.db2.gz QUZGWTHLWIYMGW-KBPBESRZSA-N 1 3 343.471 3.668 20 0 EHADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422955392 1028094759 /nfs/dbraw/zinc/09/47/59/1028094759.db2.gz JDWRVOCRDVSZBR-PYYHNFOQSA-N 1 3 334.463 3.765 20 0 EHADHO Cc1ccn(-c2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422987889 1028098510 /nfs/dbraw/zinc/09/85/10/1028098510.db2.gz HQOIOIHWXMSFDH-XUVXKRRUSA-N 1 3 338.499 3.581 20 0 EHADHO COc1ccc([C@@H](N[C@H](C)CCCC[NH3+])c2ccccc2OC)cc1 ZINC000423006316 1028118945 /nfs/dbraw/zinc/11/89/45/1028118945.db2.gz VCYBSZVZYKUPSB-IIBYNOLFSA-N 1 3 342.483 3.900 20 0 EHADHO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000423011566 1028125184 /nfs/dbraw/zinc/12/51/84/1028125184.db2.gz AYFVJHLCOSFAQH-XCXWGBRNSA-N 1 3 326.440 3.506 20 0 EHADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423040928 1028146572 /nfs/dbraw/zinc/14/65/72/1028146572.db2.gz VLBXINJTSMDNAK-LDTOTXGLSA-N 1 3 326.415 3.780 20 0 EHADHO Cc1ccc(Br)cc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423061734 1028155873 /nfs/dbraw/zinc/15/58/73/1028155873.db2.gz RMQMTAPDSNMHLK-GFCCVEGCSA-N 1 3 348.288 3.770 20 0 EHADHO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423087204 1028175237 /nfs/dbraw/zinc/17/52/37/1028175237.db2.gz PAOWOWMWWLROHP-QFBILLFUSA-N 1 3 341.499 3.537 20 0 EHADHO CC[C@@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(OC)c(OC)c1 ZINC000423097743 1028182530 /nfs/dbraw/zinc/18/25/30/1028182530.db2.gz BHEIJPBTQIIJEB-KBXCAEBGSA-N 1 3 343.471 3.668 20 0 EHADHO FC(F)(F)Oc1cccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000423103527 1028185695 /nfs/dbraw/zinc/18/56/95/1028185695.db2.gz LBKUCPBZKYMTBX-GDBMZVCRSA-N 1 3 328.378 3.768 20 0 EHADHO CCCN(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423107456 1028199332 /nfs/dbraw/zinc/19/93/32/1028199332.db2.gz PYBXNSITJZQUKR-SWDXFRIISA-N 1 3 335.923 3.596 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423108350 1028201330 /nfs/dbraw/zinc/20/13/30/1028201330.db2.gz RAXPKSRFBVTAOB-CCKFTAQKSA-N 1 3 336.907 3.785 20 0 EHADHO NC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCCC1 ZINC000423209017 1028253861 /nfs/dbraw/zinc/25/38/61/1028253861.db2.gz ZLYNJUKSQOLUJC-LPHOPBHVSA-N 1 3 334.479 3.935 20 0 EHADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000423193131 1028264633 /nfs/dbraw/zinc/26/46/33/1028264633.db2.gz WPYDUPMUXLPXHR-CQSZACIVSA-N 1 3 348.288 3.675 20 0 EHADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423219425 1028284777 /nfs/dbraw/zinc/28/47/77/1028284777.db2.gz WQAJDSHGWXRYKE-RWMBFGLXSA-N 1 3 331.287 3.738 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000423259747 1028319239 /nfs/dbraw/zinc/31/92/39/1028319239.db2.gz FSRLDYXQJJJWPE-QRWLVFNGSA-N 1 3 326.488 3.739 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423259747 1028319243 /nfs/dbraw/zinc/31/92/43/1028319243.db2.gz FSRLDYXQJJJWPE-QRWLVFNGSA-N 1 3 326.488 3.739 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000423292129 1028329774 /nfs/dbraw/zinc/32/97/74/1028329774.db2.gz LNGGFXTULDEAME-CVEARBPZSA-N 1 3 337.467 3.684 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](N)C(C)C)CCC3)cc1 ZINC000423275704 1028336522 /nfs/dbraw/zinc/33/65/22/1028336522.db2.gz NMHLSHRILBLTRX-JKSUJKDBSA-N 1 3 345.512 3.769 20 0 EHADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423444844 1028432701 /nfs/dbraw/zinc/43/27/01/1028432701.db2.gz RHADONNHJCRVKE-YLQAJVPDSA-N 1 3 345.487 3.988 20 0 EHADHO COc1ccc(CC[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423531556 1028485079 /nfs/dbraw/zinc/48/50/79/1028485079.db2.gz SUCDAYJKSPDVNW-JPDGSBHXSA-N 1 3 342.527 3.760 20 0 EHADHO Cc1cc([C@H](NCCC2=CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000423542021 1028508089 /nfs/dbraw/zinc/50/80/89/1028508089.db2.gz SPZLJMSBNWVBRC-FQEVSTJZSA-N 1 3 325.431 3.518 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccs1 ZINC000583038118 1028624672 /nfs/dbraw/zinc/62/46/72/1028624672.db2.gz DRIRLQXWCDLDSE-CEXWTWQISA-N 1 3 343.540 3.776 20 0 EHADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccs1 ZINC000583038118 1028624676 /nfs/dbraw/zinc/62/46/76/1028624676.db2.gz DRIRLQXWCDLDSE-CEXWTWQISA-N 1 3 343.540 3.776 20 0 EHADHO CC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246890888 1028709895 /nfs/dbraw/zinc/70/98/95/1028709895.db2.gz DSPWVEUVVKAJLC-LPHOPBHVSA-N 1 3 327.472 3.512 20 0 EHADHO CC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246890888 1028709911 /nfs/dbraw/zinc/70/99/11/1028709911.db2.gz DSPWVEUVVKAJLC-LPHOPBHVSA-N 1 3 327.472 3.512 20 0 EHADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)CCCO2 ZINC000247044285 1028735296 /nfs/dbraw/zinc/73/52/96/1028735296.db2.gz OJNGEZRJLLLKMJ-CMKODMSKSA-N 1 3 346.515 3.688 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000247072657 1028739795 /nfs/dbraw/zinc/73/97/95/1028739795.db2.gz QHDQBBPSPXRANX-ZWOKBUDYSA-N 1 3 334.504 3.625 20 0 EHADHO FC(F)(F)Cc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000631127510 1028792076 /nfs/dbraw/zinc/79/20/76/1028792076.db2.gz YRQNUMVHQCXQJQ-UHFFFAOYSA-N 1 3 326.406 3.898 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC000162511315 1028907848 /nfs/dbraw/zinc/90/78/48/1028907848.db2.gz YTNUMSZSSOZAAH-AWEZNQCLSA-N 1 3 334.410 3.756 20 0 EHADHO Oc1ccccc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249045406 1028979335 /nfs/dbraw/zinc/97/93/35/1028979335.db2.gz VYHMMXKQRRVCGK-MZADTFQBSA-N 1 3 336.479 3.720 20 0 EHADHO Oc1ccccc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249045406 1028979350 /nfs/dbraw/zinc/97/93/50/1028979350.db2.gz VYHMMXKQRRVCGK-MZADTFQBSA-N 1 3 336.479 3.720 20 0 EHADHO C[NH+](C)Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000123697955 1029001414 /nfs/dbraw/zinc/00/14/14/1029001414.db2.gz IKDZTHUFVDHKSH-HXUWFJFHSA-N 1 3 326.509 3.868 20 0 EHADHO c1sc(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787249 1029050423 /nfs/dbraw/zinc/05/04/23/1029050423.db2.gz VPUCFHJQSOHAOP-DLBZAZTESA-N 1 3 327.497 3.632 20 0 EHADHO CC(C)[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000271717443 1029135966 /nfs/dbraw/zinc/13/59/66/1029135966.db2.gz NNAGZQDQIXBKOB-INIZCTEOSA-N 1 3 345.314 3.737 20 0 EHADHO Cn1cnc2cc(C[N@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000271737578 1029146577 /nfs/dbraw/zinc/14/65/77/1029146577.db2.gz PLTSGMNJVHRGOI-FQEVSTJZSA-N 1 3 348.494 3.527 20 0 EHADHO Cn1cnc2cc(C[N@@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000271737578 1029146586 /nfs/dbraw/zinc/14/65/86/1029146586.db2.gz PLTSGMNJVHRGOI-FQEVSTJZSA-N 1 3 348.494 3.527 20 0 EHADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414806399 1029239711 /nfs/dbraw/zinc/23/97/11/1029239711.db2.gz QDHHIHVECSHYCN-UNEWFSDZSA-N 1 3 326.431 3.716 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000414808106 1029270556 /nfs/dbraw/zinc/27/05/56/1029270556.db2.gz KCFPBFKLENUWBZ-LLVKDONJSA-N 1 3 337.236 3.898 20 0 EHADHO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453276729 1030012923 /nfs/dbraw/zinc/01/29/23/1030012923.db2.gz MXXLEQLLEQGZGJ-PSWRPDDJSA-N 1 3 344.543 3.675 20 0 EHADHO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)ccn1 ZINC000453285642 1030028457 /nfs/dbraw/zinc/02/84/57/1030028457.db2.gz JXKPBELFCHCDKJ-BHDDXSALSA-N 1 3 335.495 3.923 20 0 EHADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(Br)cc1 ZINC000531995238 1030248423 /nfs/dbraw/zinc/24/84/23/1030248423.db2.gz JCBPPEWSUJUFJA-RCBQFDQVSA-N 1 3 325.294 3.973 20 0 EHADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161793304 1030275484 /nfs/dbraw/zinc/27/54/84/1030275484.db2.gz RVBICYYZKMFNNN-GOSISDBHSA-N 1 3 343.515 3.586 20 0 EHADHO CCc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N(CC)CC)cc1 ZINC000550847941 1030529257 /nfs/dbraw/zinc/52/92/57/1030529257.db2.gz QVBWLIINHLDRMU-QMMLZNLJSA-N 1 3 331.548 3.562 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892356575 1030670238 /nfs/dbraw/zinc/67/02/38/1030670238.db2.gz UPKHDOJCFGPVEV-YQQQUEKLSA-N 1 3 345.556 3.581 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892356575 1030670245 /nfs/dbraw/zinc/67/02/45/1030670245.db2.gz UPKHDOJCFGPVEV-YQQQUEKLSA-N 1 3 345.556 3.581 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(Br)cc21 ZINC000650755840 1030754696 /nfs/dbraw/zinc/75/46/96/1030754696.db2.gz OCJSXACMNPEVQH-GOSISDBHSA-N 1 3 345.284 3.946 20 0 EHADHO CCc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000537660381 1030914036 /nfs/dbraw/zinc/91/40/36/1030914036.db2.gz BWBSOTPMGMVFCI-IAGOWNOFSA-N 1 3 334.504 3.553 20 0 EHADHO CCc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000537660381 1030914047 /nfs/dbraw/zinc/91/40/47/1030914047.db2.gz BWBSOTPMGMVFCI-IAGOWNOFSA-N 1 3 334.504 3.553 20 0 EHADHO C[C@H](NCCC1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000650762313 1030922720 /nfs/dbraw/zinc/92/27/20/1030922720.db2.gz ZUNZPLSJECKPBU-ZDUSSCGKSA-N 1 3 333.476 3.990 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527639556 1031068143 /nfs/dbraw/zinc/06/81/43/1031068143.db2.gz GRXYYMJOGDRGDH-FGZHOGPDSA-N 1 3 343.559 3.720 20 0 EHADHO c1ccc(CN2CC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657806716 1031115637 /nfs/dbraw/zinc/11/56/37/1031115637.db2.gz KMSXOGMNGAKFLO-JOCHJYFZSA-N 1 3 341.543 3.648 20 0 EHADHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903180277 1031269580 /nfs/dbraw/zinc/26/95/80/1031269580.db2.gz ZAUWQFZWZWWVLH-SHFXZJCHSA-N 1 3 348.918 3.817 20 0 EHADHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000903180277 1031269599 /nfs/dbraw/zinc/26/95/99/1031269599.db2.gz ZAUWQFZWZWWVLH-SHFXZJCHSA-N 1 3 348.918 3.817 20 0 EHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527860287 1031340925 /nfs/dbraw/zinc/34/09/25/1031340925.db2.gz WSXYZHVUGAWHNP-SNVBAGLBSA-N 1 3 347.247 3.720 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccnn2-c2ccncc2)CCc2ccc(F)cc21 ZINC000668291577 1031404340 /nfs/dbraw/zinc/40/43/40/1031404340.db2.gz PNWLEPXGIBBUKU-OAHLLOKOSA-N 1 3 336.414 3.568 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccncc2)CCc2ccc(F)cc21 ZINC000668291577 1031404350 /nfs/dbraw/zinc/40/43/50/1031404350.db2.gz PNWLEPXGIBBUKU-OAHLLOKOSA-N 1 3 336.414 3.568 20 0 EHADHO CCCCCc1ccc([C@@H](CC)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484177435 1031480459 /nfs/dbraw/zinc/48/04/59/1031480459.db2.gz VXENNKVTXHVDPS-HXUWFJFHSA-N 1 3 332.532 3.917 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000527929251 1031491918 /nfs/dbraw/zinc/49/19/18/1031491918.db2.gz PHGVHHXPNUALAM-KJJMTIBFSA-N 1 3 342.527 3.693 20 0 EHADHO CCOCc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1OC ZINC000180123497 1031803646 /nfs/dbraw/zinc/80/36/46/1031803646.db2.gz NCCFBNDOZCCADB-UHFFFAOYSA-N 1 3 346.515 3.540 20 0 EHADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904376655 1032007355 /nfs/dbraw/zinc/00/73/55/1032007355.db2.gz WNUXHRUUUFODDM-COXVUDFISA-N 1 3 342.405 3.624 20 0 EHADHO CC[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC ZINC000181416899 1032023120 /nfs/dbraw/zinc/02/31/20/1032023120.db2.gz MSDSFSNGUXRXRC-AQNXPRMDSA-N 1 3 346.515 3.504 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000685470819 1033372300 /nfs/dbraw/zinc/37/23/00/1033372300.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470819 1033372314 /nfs/dbraw/zinc/37/23/14/1033372314.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000685470819 1033372325 /nfs/dbraw/zinc/37/23/25/1033372325.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000685470819 1033372336 /nfs/dbraw/zinc/37/23/36/1033372336.db2.gz UMMDUOKUQRHVOT-DOTOQJQBSA-N 1 3 326.406 3.930 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168414059 1033564437 /nfs/dbraw/zinc/56/44/37/1033564437.db2.gz BYMISBOARUQTLT-IERDGZPVSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168414059 1033564445 /nfs/dbraw/zinc/56/44/45/1033564445.db2.gz BYMISBOARUQTLT-IERDGZPVSA-N 1 3 326.459 3.780 20 0 EHADHO FC(F)(F)[C@@H]1CC[C@@H](CN2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC001168316314 1033992018 /nfs/dbraw/zinc/99/20/18/1033992018.db2.gz AJJSWEKDSFQHQT-IRXDYDNUSA-N 1 3 348.453 3.684 20 0 EHADHO c1nn2ccccc2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000376121869 1035300178 /nfs/dbraw/zinc/30/01/78/1035300178.db2.gz BPINTQOUHBOVEN-MZADTFQBSA-N 1 3 346.478 3.620 20 0 EHADHO CCC[NH+]1CCC(N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000122379891 1035688134 /nfs/dbraw/zinc/68/81/34/1035688134.db2.gz MPPNSCXDDOZTJU-HXUWFJFHSA-N 1 3 332.488 3.619 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136939 1035717612 /nfs/dbraw/zinc/71/76/12/1035717612.db2.gz JHBXMBMTYNIHNZ-QCFAMHMHSA-N 1 3 342.527 3.549 20 0 EHADHO C[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492463643 1035823442 /nfs/dbraw/zinc/82/34/42/1035823442.db2.gz JDMGNKKIRXBONQ-IEBWSBKVSA-N 1 3 342.458 3.705 20 0 EHADHO Clc1cnccc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397654787 1036043254 /nfs/dbraw/zinc/04/32/54/1036043254.db2.gz XZBYQVUOCIQNTJ-UHFFFAOYSA-N 1 3 329.875 3.737 20 0 EHADHO c1c2ccccc2oc1[C@@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000572234558 1036049049 /nfs/dbraw/zinc/04/90/49/1036049049.db2.gz IAAVKECKXCGCBT-UYZIEWPDSA-N 1 3 347.462 3.895 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415634 1036083244 /nfs/dbraw/zinc/08/32/44/1036083244.db2.gz AEXXWTULAQJHFG-PXNSSMCTSA-N 1 3 343.902 3.950 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](O)CCc2ccccc2)CC1 ZINC000542464289 1036292550 /nfs/dbraw/zinc/29/25/50/1036292550.db2.gz PLLRHWDEVAUTQZ-QIJUGHKUSA-N 1 3 344.543 3.613 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H](O)CCc2ccccc2)CC1 ZINC000542464288 1036293866 /nfs/dbraw/zinc/29/38/66/1036293866.db2.gz PLLRHWDEVAUTQZ-COPCDDAFSA-N 1 3 344.543 3.613 20 0 EHADHO COc1cccc(C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C2CC2)c1 ZINC000541557098 1036450075 /nfs/dbraw/zinc/45/00/75/1036450075.db2.gz HQHPRQBLJQYYQF-UWJYYQICSA-N 1 3 330.516 3.870 20 0 EHADHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1C(F)(F)F ZINC000414292030 1036503121 /nfs/dbraw/zinc/50/31/21/1036503121.db2.gz OMYBITYUBSBDNF-UHFFFAOYSA-N 1 3 326.406 3.978 20 0 EHADHO COC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000310994650 1036938159 /nfs/dbraw/zinc/93/81/59/1036938159.db2.gz TXTJEYPFISFATE-NYVOZVTQSA-N 1 3 338.495 3.874 20 0 EHADHO Brc1ccsc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543792 1037095067 /nfs/dbraw/zinc/09/50/67/1037095067.db2.gz SACYNUABAFXHAC-STQMWFEESA-N 1 3 343.334 3.722 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2cc(F)cc(OC)c2)cc1 ZINC000312251977 1037150500 /nfs/dbraw/zinc/15/05/00/1037150500.db2.gz IHFXUXLHWOSHMF-UHFFFAOYSA-N 1 3 330.447 3.966 20 0 EHADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(Cl)s1 ZINC000532505374 1037532596 /nfs/dbraw/zinc/53/25/96/1037532596.db2.gz HAEDRWSLPJXDFU-KGLIPLIRSA-N 1 3 330.925 3.535 20 0 EHADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000540171484 1037638806 /nfs/dbraw/zinc/63/88/06/1037638806.db2.gz YNIOXFLCFMICMX-SFHLNBCPSA-N 1 3 332.532 3.795 20 0 EHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCCC[C@H]1C ZINC000463148374 1037815438 /nfs/dbraw/zinc/81/54/38/1037815438.db2.gz SDHGOWJTLXTHNQ-UXHICEINSA-N 1 3 343.559 3.546 20 0 EHADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000545460410 1038704597 /nfs/dbraw/zinc/70/45/97/1038704597.db2.gz RDVZFTDUIIHWCZ-KUHUBIRLSA-N 1 3 336.907 3.880 20 0 EHADHO Cc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000195437747 1038960277 /nfs/dbraw/zinc/96/02/77/1038960277.db2.gz NLWIKDGSAIVRKX-UHFFFAOYSA-N 1 3 332.875 3.879 20 0 EHADHO COc1cccc(C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C2CC2)c1 ZINC000477945668 1039065715 /nfs/dbraw/zinc/06/57/15/1039065715.db2.gz PEVBDACPICNGDH-FQEVSTJZSA-N 1 3 330.516 3.728 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c(C)c1OC ZINC000552281802 1039155677 /nfs/dbraw/zinc/15/56/77/1039155677.db2.gz KFEXCNLBDKVGMY-SJORKVTESA-N 1 3 348.531 3.797 20 0 EHADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3ccco3)CC2)c1 ZINC000480226434 1039326263 /nfs/dbraw/zinc/32/62/63/1039326263.db2.gz LSJHGVPPIRAODS-IBGZPJMESA-N 1 3 341.499 3.841 20 0 EHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCc1ccc(C(C)(C)C)cc1 ZINC000555092579 1040134772 /nfs/dbraw/zinc/13/47/72/1040134772.db2.gz JPJNPNCSSWEMPC-NJDAHSKKSA-N 1 3 344.543 3.710 20 0 EHADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465775 1040265936 /nfs/dbraw/zinc/26/59/36/1040265936.db2.gz PUAGHQDSKBMMAO-MJGOQNOKSA-N 1 3 336.479 3.890 20 0 EHADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000479465775 1040265955 /nfs/dbraw/zinc/26/59/55/1040265955.db2.gz PUAGHQDSKBMMAO-MJGOQNOKSA-N 1 3 336.479 3.890 20 0 EHADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512627101 1040326700 /nfs/dbraw/zinc/32/67/00/1040326700.db2.gz ZYVMMTRDFADDPE-ZGJYDULXSA-N 1 3 342.527 3.692 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCS4)[C@@H]3C2)cc1 ZINC000512632394 1040338609 /nfs/dbraw/zinc/33/86/09/1040338609.db2.gz ZZDKXCGERIURMG-NMLBUPMWSA-N 1 3 330.541 3.772 20 0 EHADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512661735 1040448707 /nfs/dbraw/zinc/44/87/07/1040448707.db2.gz TYCYPLALVGYTEI-RJGXRXQPSA-N 1 3 349.522 3.823 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C[C@@H](C)O1 ZINC000553886481 1040571305 /nfs/dbraw/zinc/57/13/05/1040571305.db2.gz NTHSELAFUQSQKR-DBXWQHBBSA-N 1 3 342.527 3.538 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(SC)CCC2)CC1 ZINC000433207545 1041063076 /nfs/dbraw/zinc/06/30/76/1041063076.db2.gz KZDWMTXINBIMHG-UHFFFAOYSA-N 1 3 347.572 3.594 20 0 EHADHO Cc1cc(F)ncc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000893411543 1041901420 /nfs/dbraw/zinc/90/14/20/1041901420.db2.gz HDUFFTXRGZQEHF-AEFFLSMTSA-N 1 3 327.447 3.529 20 0 EHADHO [NH3+]CCC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000652359582 1042416755 /nfs/dbraw/zinc/41/67/55/1042416755.db2.gz HEUNXJFPMRVCGJ-UHFFFAOYSA-N 1 3 348.288 3.558 20 0 EHADHO Fc1cccc(-c2cnc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662293069 1042663524 /nfs/dbraw/zinc/66/35/24/1042663524.db2.gz JMDBYSUPIVESEN-QGZVFWFLSA-N 1 3 343.446 3.692 20 0 EHADHO Fc1ccc(-c2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662293935 1042663552 /nfs/dbraw/zinc/66/35/52/1042663552.db2.gz VHTPNHBITWZJDY-QGZVFWFLSA-N 1 3 343.446 3.692 20 0 EHADHO c1ccc(-c2nc3c(s2)CN(CCCC2CC[NH2+]CC2)CC3)cc1 ZINC000662304095 1042671406 /nfs/dbraw/zinc/67/14/06/1042671406.db2.gz FJLAKXDOCDSIIS-UHFFFAOYSA-N 1 3 341.524 3.948 20 0 EHADHO CC(C)c1cccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000663317526 1042674798 /nfs/dbraw/zinc/67/47/98/1042674798.db2.gz DLHXERKQYCHZGY-NHCUHLMSSA-N 1 3 330.516 3.668 20 0 EHADHO C[C@@H]1CCCN(Cc2csc(Br)c2)[C@@H]1CCC[NH3+] ZINC000662314545 1042680637 /nfs/dbraw/zinc/68/06/37/1042680637.db2.gz NGULZXQVWLVYRI-DGCLKSJQSA-N 1 3 331.323 3.850 20 0 EHADHO C/C(=C/c1ccc(Cl)cc1)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432368278 1043010270 /nfs/dbraw/zinc/01/02/70/1043010270.db2.gz PHPGGPSAKCNPAW-VZVUQDNOSA-N 1 3 336.907 3.834 20 0 EHADHO C/C(=C/c1ccc(Cl)cc1)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432368278 1043010273 /nfs/dbraw/zinc/01/02/73/1043010273.db2.gz PHPGGPSAKCNPAW-VZVUQDNOSA-N 1 3 336.907 3.834 20 0 EHADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446629 1043274192 /nfs/dbraw/zinc/27/41/92/1043274192.db2.gz NBBPIGWCUOTJLD-ROUUACIJSA-N 1 3 326.484 3.991 20 0 EHADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000432446629 1043274199 /nfs/dbraw/zinc/27/41/99/1043274199.db2.gz NBBPIGWCUOTJLD-ROUUACIJSA-N 1 3 326.484 3.991 20 0 EHADHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275858 1044516562 /nfs/dbraw/zinc/51/65/62/1044516562.db2.gz GQABWPUIZJTNOI-QFIPXVFZSA-N 1 3 336.479 3.663 20 0 EHADHO c1ccc(CN2CC[C@]3(CC[N@H+](CCOc4ccccc4)C3)C2)cc1 ZINC000512275858 1044516583 /nfs/dbraw/zinc/51/65/83/1044516583.db2.gz GQABWPUIZJTNOI-QFIPXVFZSA-N 1 3 336.479 3.663 20 0 EHADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(COC)cc2)cc1 ZINC000266247095 1125705182 /nfs/dbraw/zinc/70/51/82/1125705182.db2.gz YZMQLCJHEUNAPI-UHFFFAOYSA-N 1 3 326.484 3.965 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000163229876 1125708830 /nfs/dbraw/zinc/70/88/30/1125708830.db2.gz RAANLKOENWHDJA-MEDUHNTESA-N 1 3 341.268 3.507 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773318 1126860041 /nfs/dbraw/zinc/86/00/41/1126860041.db2.gz UFMVMDVFBBBLAV-YPMHNXCESA-N 1 3 331.323 3.673 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)s2)[C@H](C)C1 ZINC000174773318 1126860044 /nfs/dbraw/zinc/86/00/44/1126860044.db2.gz UFMVMDVFBBBLAV-YPMHNXCESA-N 1 3 331.323 3.673 20 0 EHADHO CN1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000623358001 1126929311 /nfs/dbraw/zinc/92/93/11/1126929311.db2.gz LJJPPIVGHUDZJP-AWEZNQCLSA-N 1 3 330.394 3.590 20 0 EHADHO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623369828 1126932137 /nfs/dbraw/zinc/93/21/37/1126932137.db2.gz SNEFUDKWWPRMLC-QAPCUYQASA-N 1 3 331.504 3.634 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398703 1126944259 /nfs/dbraw/zinc/94/42/59/1126944259.db2.gz MUABHXXHDHIGSJ-WOJBJXKFSA-N 1 3 329.532 3.676 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398703 1126944261 /nfs/dbraw/zinc/94/42/61/1126944261.db2.gz MUABHXXHDHIGSJ-WOJBJXKFSA-N 1 3 329.532 3.676 20 0 EHADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000181263846 1127272247 /nfs/dbraw/zinc/27/22/47/1127272247.db2.gz ZOMUXOFRVRDJMG-QLFBSQMISA-N 1 3 344.421 3.935 20 0 EHADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C(F)(F)F ZINC000181263846 1127272249 /nfs/dbraw/zinc/27/22/49/1127272249.db2.gz ZOMUXOFRVRDJMG-QLFBSQMISA-N 1 3 344.421 3.935 20 0 EHADHO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185673727 1127429738 /nfs/dbraw/zinc/42/97/38/1127429738.db2.gz UYKGCXPGBRRMTR-DLBZAZTESA-N 1 3 338.536 3.741 20 0 EHADHO CCOc1cccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000765406034 1127608553 /nfs/dbraw/zinc/60/85/53/1127608553.db2.gz LIYOCNXFSOCUMD-BZSNNMDCSA-N 1 3 334.504 3.625 20 0 EHADHO COc1ccc([C@@H]2C[C@H]([NH+]3C(C)(C)CC(N)CC3(C)C)CCO2)cc1 ZINC001168591180 1128177909 /nfs/dbraw/zinc/17/79/09/1128177909.db2.gz UCYYRZDTMPFSEW-MJGOQNOKSA-N 1 3 346.515 3.896 20 0 EHADHO COc1ccc([C@@H]2C[C@@H]([N@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591223 1128179218 /nfs/dbraw/zinc/17/92/18/1128179218.db2.gz UMCFXFOOPVJUGV-FPOVZHCZSA-N 1 3 346.515 3.899 20 0 EHADHO COc1ccc([C@@H]2C[C@@H]([N@@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591223 1128179221 /nfs/dbraw/zinc/17/92/21/1128179221.db2.gz UMCFXFOOPVJUGV-FPOVZHCZSA-N 1 3 346.515 3.899 20 0 EHADHO C[NH+](C)CC[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)C(C)(C)C ZINC000186384199 1128416091 /nfs/dbraw/zinc/41/60/91/1128416091.db2.gz TWQKHWBUIODHTI-GOSISDBHSA-N 1 3 334.504 3.788 20 0 EHADHO CN1CCCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494499582 1120573405 /nfs/dbraw/zinc/57/34/05/1120573405.db2.gz ZUKBMMDCGCNGKO-FHLIZLRMSA-N 1 3 340.870 3.773 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000190999324 1120658297 /nfs/dbraw/zinc/65/82/97/1120658297.db2.gz QPUOUZFNMJZUAC-MISYRCLQSA-N 1 3 332.532 3.817 20 0 EHADHO C([C@H]1CCC2(CCCCC2)O1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000190999324 1120658298 /nfs/dbraw/zinc/65/82/98/1120658298.db2.gz QPUOUZFNMJZUAC-MISYRCLQSA-N 1 3 332.532 3.817 20 0 EHADHO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H]1CCCN(C2CCC2)C1 ZINC000494736370 1120752738 /nfs/dbraw/zinc/75/27/38/1120752738.db2.gz CMIFCOXGOIQYED-WDSOQIARSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@H]1CCc2ccccc2OC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000494736370 1120752745 /nfs/dbraw/zinc/75/27/45/1120752745.db2.gz CMIFCOXGOIQYED-WDSOQIARSA-N 1 3 328.500 3.623 20 0 EHADHO C[C@H](N[C@H]1CCc2ccccc2OC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000494736370 1120752748 /nfs/dbraw/zinc/75/27/48/1120752748.db2.gz CMIFCOXGOIQYED-WDSOQIARSA-N 1 3 328.500 3.623 20 0 EHADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc2c(c1)CCCO2 ZINC000153513227 1121254822 /nfs/dbraw/zinc/25/48/22/1121254822.db2.gz ZXCMTUFQLVQLTG-FQEVSTJZSA-N 1 3 346.515 3.553 20 0 EHADHO C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000282111067 1121348520 /nfs/dbraw/zinc/34/85/20/1121348520.db2.gz AFICCHYAHIJWMK-ULQDDVLXSA-N 1 3 337.511 3.878 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)o1 ZINC000397503467 1121760582 /nfs/dbraw/zinc/76/05/82/1121760582.db2.gz CAEFYXLCBVBBIY-QGZVFWFLSA-N 1 3 342.483 3.574 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000496267192 1122034575 /nfs/dbraw/zinc/03/45/75/1122034575.db2.gz XLPFCQIKDQDPTN-HUUCEWRRSA-N 1 3 339.439 3.514 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623376 1129028299 /nfs/dbraw/zinc/02/82/99/1129028299.db2.gz SLDVHHHKULVNSS-VSKRKVRLSA-N 1 3 343.559 3.704 20 0 EHADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000672623376 1129028301 /nfs/dbraw/zinc/02/83/01/1129028301.db2.gz SLDVHHHKULVNSS-VSKRKVRLSA-N 1 3 343.559 3.704 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1Br ZINC000037197141 1122173730 /nfs/dbraw/zinc/17/37/30/1122173730.db2.gz LZTHPJSHMUAPHG-LBPRGKRZSA-N 1 3 343.309 3.696 20 0 EHADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1OC ZINC000916833565 1122362332 /nfs/dbraw/zinc/36/23/32/1122362332.db2.gz TZHKEHSDUNDAIJ-HXUWFJFHSA-N 1 3 342.483 3.877 20 0 EHADHO O[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000918197908 1122771470 /nfs/dbraw/zinc/77/14/70/1122771470.db2.gz OYWHRDHDZQIPLF-FQEVSTJZSA-N 1 3 344.886 3.628 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000556232883 1122885777 /nfs/dbraw/zinc/88/57/77/1122885777.db2.gz LMJHSCISTKLELV-JYRKZWEQSA-N 1 3 342.527 3.549 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113356 1123046178 /nfs/dbraw/zinc/04/61/78/1123046178.db2.gz JDHJCMUNKCTLQC-NEPJUHHUSA-N 1 3 341.268 3.723 20 0 EHADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)c1OC ZINC000556862868 1123152780 /nfs/dbraw/zinc/15/27/80/1123152780.db2.gz FJGXQHWEGDSGAD-IAGOWNOFSA-N 1 3 348.531 3.655 20 0 EHADHO COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245768019 1123948476 /nfs/dbraw/zinc/94/84/76/1123948476.db2.gz WTYOAVXHDAAJTG-WKCHPHFGSA-N 1 3 336.479 3.980 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000246824831 1124552926 /nfs/dbraw/zinc/55/29/26/1124552926.db2.gz BJJJZFPWKIZZPA-WBMJQRKESA-N 1 3 328.378 3.504 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246937951 1124570104 /nfs/dbraw/zinc/57/01/04/1124570104.db2.gz HMRDLFNNRVMRDV-FCGDIQPGSA-N 1 3 348.531 3.666 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000247126337 1124590590 /nfs/dbraw/zinc/59/05/90/1124590590.db2.gz PYRYRGZCYUPVSM-QKYXUNIQSA-N 1 3 326.488 3.704 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000247126364 1124590642 /nfs/dbraw/zinc/59/06/42/1124590642.db2.gz PYRYRGZCYUPVSM-ZAAXVRCTSA-N 1 3 326.488 3.704 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248049376 1124637243 /nfs/dbraw/zinc/63/72/43/1124637243.db2.gz WATHOJFQXOGLTN-PKOBYXMFSA-N 1 3 336.545 3.505 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248049376 1124637246 /nfs/dbraw/zinc/63/72/46/1124637246.db2.gz WATHOJFQXOGLTN-PKOBYXMFSA-N 1 3 336.545 3.505 20 0 EHADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248405626 1124658016 /nfs/dbraw/zinc/65/80/16/1124658016.db2.gz RNJJQIUVUBLRAQ-MJUUVYJYSA-N 1 3 344.543 3.674 20 0 EHADHO C[C@@H](CCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000248754023 1124696411 /nfs/dbraw/zinc/69/64/11/1124696411.db2.gz CMFQMOSQCAUHPE-PCCBWWKXSA-N 1 3 343.559 3.671 20 0 EHADHO C[C@@H](CCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000248754023 1124696414 /nfs/dbraw/zinc/69/64/14/1124696414.db2.gz CMFQMOSQCAUHPE-PCCBWWKXSA-N 1 3 343.559 3.671 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091285044 1124973264 /nfs/dbraw/zinc/97/32/64/1124973264.db2.gz SPUGEQYJYQNNQJ-NRFANRHFSA-N 1 3 347.522 3.674 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1OC ZINC000183011890 1125418926 /nfs/dbraw/zinc/41/89/26/1125418926.db2.gz NZTYTIXCXSGKEH-HQRMLTQVSA-N 1 3 348.531 3.739 20 0 EHADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CC2 ZINC000358956004 1129430630 /nfs/dbraw/zinc/43/06/30/1129430630.db2.gz RDDNNASLAXQLFR-KRWDZBQOSA-N 1 3 332.488 3.544 20 0 EHADHO CC1([NH+]2CCC2)CCC(NCc2cccc(OC3CC3)c2F)CC1 ZINC000922846836 1129689634 /nfs/dbraw/zinc/68/96/34/1129689634.db2.gz QELOGKOKCLTDIP-UHFFFAOYSA-N 1 3 332.463 3.864 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN(C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 ZINC000171304845 1130044522 /nfs/dbraw/zinc/04/45/22/1130044522.db2.gz QFNAYPVGAPUETC-DCQHUWKXSA-N 1 3 328.500 3.521 20 0 EHADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658061947 1130103226 /nfs/dbraw/zinc/10/32/26/1130103226.db2.gz PWYAJMWWNTXODW-NQIIRXRSSA-N 1 3 343.559 3.544 20 0 EHADHO C[C@H](Cc1cccs1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164798 1130222261 /nfs/dbraw/zinc/22/22/61/1130222261.db2.gz FNJCZTZZTQVVEW-MRXNPFEDSA-N 1 3 329.513 3.576 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[C@@H](C)O2)CC1 ZINC000658216861 1130275954 /nfs/dbraw/zinc/27/59/54/1130275954.db2.gz VHISZDBUWXSMDY-UEXGIBASSA-N 1 3 330.516 3.629 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000675751911 1130465394 /nfs/dbraw/zinc/46/53/94/1130465394.db2.gz GICVILLEJITLCM-AHRSYUTCSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000675751911 1130465400 /nfs/dbraw/zinc/46/54/00/1130465400.db2.gz GICVILLEJITLCM-AHRSYUTCSA-N 1 3 343.515 3.744 20 0 EHADHO CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172458431 1131751450 /nfs/dbraw/zinc/75/14/50/1131751450.db2.gz YUURBXXWKZUDKP-JKLQHZFJSA-N 1 3 344.543 3.938 20 0 EHADHO c1ccc([C@@H]2CC[C@H]([NH2+]C3CCN(CC4CCOCC4)CC3)C2)cc1 ZINC001172555033 1131767981 /nfs/dbraw/zinc/76/79/81/1131767981.db2.gz CQDDZGSWRBYNGN-IRLDBZIGSA-N 1 3 342.527 3.803 20 0 EHADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172565428 1131773897 /nfs/dbraw/zinc/77/38/97/1131773897.db2.gz YEGYTIHYYFTHFJ-HJNYFJLDSA-N 1 3 342.527 3.898 20 0 EHADHO CCCOC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001173093302 1131952038 /nfs/dbraw/zinc/95/20/38/1131952038.db2.gz CHMQXHKOUHITMZ-UHFFFAOYSA-N 1 3 345.531 3.621 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(N(C)C)CC1 ZINC001173080633 1131960614 /nfs/dbraw/zinc/96/06/14/1131960614.db2.gz ZUTNDFXPHADKRS-CYBMUJFWSA-N 1 3 330.394 3.542 20 0 EHADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001173085864 1131964134 /nfs/dbraw/zinc/96/41/34/1131964134.db2.gz GVDKQUGILKJOCY-AWEZNQCLSA-N 1 3 342.405 3.544 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000181492746 1132088645 /nfs/dbraw/zinc/08/86/45/1132088645.db2.gz YYIJRFCKKUUFCW-HXUWFJFHSA-N 1 3 331.548 3.781 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000182255314 1132222628 /nfs/dbraw/zinc/22/26/28/1132222628.db2.gz FLBYQEHFBKDVBN-WTGUMLROSA-N 1 3 328.500 3.587 20 0 EHADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1OCc1ccccc1 ZINC000182255314 1132222633 /nfs/dbraw/zinc/22/26/33/1132222633.db2.gz FLBYQEHFBKDVBN-WTGUMLROSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@@H]1CN(Cc2cccc(Cl)c2Br)CCC[C@H]1C[NH3+] ZINC001205995560 1132599510 /nfs/dbraw/zinc/59/95/10/1132599510.db2.gz PCLMSVBUFDQDIE-NEPJUHHUSA-N 1 3 345.712 3.909 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101242 1132655592 /nfs/dbraw/zinc/65/55/92/1132655592.db2.gz PSIXHDWWSGSBNW-YSTOQKLRSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CCOCC1)C2 ZINC001169101242 1132655594 /nfs/dbraw/zinc/65/55/94/1132655594.db2.gz PSIXHDWWSGSBNW-YSTOQKLRSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)OCc1ccc(Cl)cc13)C2 ZINC001169155368 1132680926 /nfs/dbraw/zinc/68/09/26/1132680926.db2.gz NXNFGUHYQFQSQO-BCDXTJNWSA-N 1 3 346.902 3.787 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)OCc1ccc(Cl)cc13)C2 ZINC001169155368 1132680931 /nfs/dbraw/zinc/68/09/31/1132680931.db2.gz NXNFGUHYQFQSQO-BCDXTJNWSA-N 1 3 346.902 3.787 20 0 EHADHO CCc1[nH]nc(Cl)c1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC001177453730 1133063847 /nfs/dbraw/zinc/06/38/47/1133063847.db2.gz FCYWUANOCUQXNK-UHFFFAOYSA-N 1 3 346.906 3.627 20 0 EHADHO CCOc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000768164585 1133103686 /nfs/dbraw/zinc/10/36/86/1133103686.db2.gz ZWVIZDFZAQVXBD-UHFFFAOYSA-N 1 3 342.483 3.788 20 0 EHADHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817221 1133287089 /nfs/dbraw/zinc/28/70/89/1133287089.db2.gz OYVPWMDTZXHODB-JCGIZDLHSA-N 1 3 330.472 3.984 20 0 EHADHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817221 1133287095 /nfs/dbraw/zinc/28/70/95/1133287095.db2.gz OYVPWMDTZXHODB-JCGIZDLHSA-N 1 3 330.472 3.984 20 0 EHADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@H]2C1 ZINC001179817221 1133287098 /nfs/dbraw/zinc/28/70/98/1133287098.db2.gz OYVPWMDTZXHODB-JCGIZDLHSA-N 1 3 330.472 3.984 20 0 EHADHO CCCCN(CC)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001182235067 1133595929 /nfs/dbraw/zinc/59/59/29/1133595929.db2.gz MPNXPFZKEWDTMD-IBGZPJMESA-N 1 3 347.547 3.554 20 0 EHADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881069 1134098072 /nfs/dbraw/zinc/09/80/72/1134098072.db2.gz OSSDZCRPJVSWMV-RTWAWAEBSA-N 1 3 326.484 3.667 20 0 EHADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(C[C@H]4CCC=CO4)C3)C2)cc1 ZINC000774881069 1134098079 /nfs/dbraw/zinc/09/80/79/1134098079.db2.gz OSSDZCRPJVSWMV-RTWAWAEBSA-N 1 3 326.484 3.667 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1CN1CCCCC1 ZINC000775391558 1134708636 /nfs/dbraw/zinc/70/86/36/1134708636.db2.gz DDIMCQYYZLFBAO-JENIJYKNSA-N 1 3 346.515 3.757 20 0 EHADHO COc1c(C)cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000793203683 1134883238 /nfs/dbraw/zinc/88/32/38/1134883238.db2.gz XMTXAIBSLNXHFM-FQEVSTJZSA-N 1 3 338.495 3.924 20 0 EHADHO COc1c(C)cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000793203683 1134883244 /nfs/dbraw/zinc/88/32/44/1134883244.db2.gz XMTXAIBSLNXHFM-FQEVSTJZSA-N 1 3 338.495 3.924 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001192918893 1135073300 /nfs/dbraw/zinc/07/33/00/1135073300.db2.gz PRVJLYDVKQEFAN-IAGOWNOFSA-N 1 3 344.421 3.680 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766093 1135888432 /nfs/dbraw/zinc/88/84/32/1135888432.db2.gz URCWMHPUGJPNLJ-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766093 1135888433 /nfs/dbraw/zinc/88/84/33/1135888433.db2.gz URCWMHPUGJPNLJ-CJNGLKHVSA-N 1 3 325.294 3.530 20 0 EHADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(Br)nc1 ZINC000810219861 1135939445 /nfs/dbraw/zinc/93/94/45/1135939445.db2.gz WUHZWQQMDQHZGR-OCCSQVGLSA-N 1 3 342.325 3.861 20 0 EHADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850516372 1136275853 /nfs/dbraw/zinc/27/58/53/1136275853.db2.gz CZORZPZOOYVPTG-JOCHJYFZSA-N 1 3 335.495 3.879 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)ccc1OC ZINC000850525451 1136278059 /nfs/dbraw/zinc/27/80/59/1136278059.db2.gz NMVAFOHTOKEAII-QFBILLFUSA-N 1 3 346.515 3.899 20 0 EHADHO COCc1cc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1OC ZINC000817963321 1136852104 /nfs/dbraw/zinc/85/21/04/1136852104.db2.gz QVUOXPUCNAJXJF-LSDHHAIUSA-N 1 3 328.456 3.712 20 0 EHADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Br)nc1 ZINC000817984041 1136855553 /nfs/dbraw/zinc/85/55/53/1136855553.db2.gz VGLJPHSKMBBMDU-XJKSGUPXSA-N 1 3 348.288 3.975 20 0 EHADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000818954543 1136895092 /nfs/dbraw/zinc/89/50/92/1136895092.db2.gz WZFFSAXPSWDRFF-HXUWFJFHSA-N 1 3 344.886 3.759 20 0 EHADHO C[NH+](C)CCCCCCCNCc1ncc(Br)cc1F ZINC000858109111 1136940689 /nfs/dbraw/zinc/94/06/89/1136940689.db2.gz QIGWIUDBIHCLOT-UHFFFAOYSA-N 1 3 346.288 3.585 20 0 EHADHO OCc1cc(NCc2ccccc2C[NH+]2CCCCCC2)ccn1 ZINC000858408832 1136965458 /nfs/dbraw/zinc/96/54/58/1136965458.db2.gz XJUINFSRONMBAP-UHFFFAOYSA-N 1 3 325.456 3.562 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000858490203 1136972560 /nfs/dbraw/zinc/97/25/60/1136972560.db2.gz CVKXEJSTEWWDNW-RYUDHWBXSA-N 1 3 330.303 3.958 20 0 EHADHO C[N@@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000858537029 1136977108 /nfs/dbraw/zinc/97/71/08/1136977108.db2.gz ARCVHAWTFDBALM-ULQDDVLXSA-N 1 3 333.426 3.999 20 0 EHADHO C[N@H+]1CC[C@H](NCc2cn(C(F)F)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000858537029 1136977110 /nfs/dbraw/zinc/97/71/10/1136977110.db2.gz ARCVHAWTFDBALM-ULQDDVLXSA-N 1 3 333.426 3.999 20 0 EHADHO CC[NH+]1CCC(CC2CCN(Cc3cnc(OC)c(C)c3)CC2)CC1 ZINC001137007772 1137170099 /nfs/dbraw/zinc/17/00/99/1137170099.db2.gz JXYPTICHCPUKEZ-UHFFFAOYSA-N 1 3 345.531 3.733 20 0 EHADHO Cc1c(Cl)cccc1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000865496554 1137288880 /nfs/dbraw/zinc/28/88/80/1137288880.db2.gz WFZDOGCABJXVLY-RTBURBONSA-N 1 3 336.907 3.506 20 0 EHADHO CC(C)[NH+]1CCC(CCN[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000866468130 1137357350 /nfs/dbraw/zinc/35/73/50/1137357350.db2.gz BFMAHFFUDQKADQ-GOSISDBHSA-N 1 3 333.524 3.526 20 0 EHADHO Cc1cc2cc(NCc3ccccc3N3CC[NH2+]CC3)ccc2cn1 ZINC001171289186 1137395913 /nfs/dbraw/zinc/39/59/13/1137395913.db2.gz VLECAKAFNZKAEC-UHFFFAOYSA-N 1 3 332.451 3.565 20 0 EHADHO COC1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716637274 1137487920 /nfs/dbraw/zinc/48/79/20/1137487920.db2.gz LZJMEGVDFFYMON-ZMBMEPKQSA-N 1 3 328.500 3.587 20 0 EHADHO CC[C@@H](CNC(=O)OC(C)(C)C)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624810 1137501236 /nfs/dbraw/zinc/50/12/36/1137501236.db2.gz YLVVHXPXSJDRQS-AWEZNQCLSA-N 1 3 341.540 3.531 20 0 EHADHO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171624810 1137501237 /nfs/dbraw/zinc/50/12/37/1137501237.db2.gz YLVVHXPXSJDRQS-AWEZNQCLSA-N 1 3 341.540 3.531 20 0 EHADHO CCCCCCN1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001171764765 1137509294 /nfs/dbraw/zinc/50/92/94/1137509294.db2.gz UVMSUYYNCPQDJA-IRLDBZIGSA-N 1 3 343.559 3.847 20 0 EHADHO CCCCCCN1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171764765 1137509296 /nfs/dbraw/zinc/50/92/96/1137509296.db2.gz UVMSUYYNCPQDJA-IRLDBZIGSA-N 1 3 343.559 3.847 20 0 EHADHO COCc1cc([C@H](C)[NH2+]CCCN2CCC(C)CC2)ccc1OC ZINC000123387087 1137514717 /nfs/dbraw/zinc/51/47/17/1137514717.db2.gz OHWQPRMITLIGRI-KRWDZBQOSA-N 1 3 334.504 3.614 20 0 EHADHO COc1ccc(Oc2cccc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)c2)cc1 ZINC001206156981 1137537103 /nfs/dbraw/zinc/53/71/03/1137537103.db2.gz VCTIJWAWQVMPAL-PMACEKPBSA-N 1 3 344.430 3.749 20 0 EHADHO COc1ccc(Oc2cccc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)c2)cc1 ZINC001206156981 1137537104 /nfs/dbraw/zinc/53/71/04/1137537104.db2.gz VCTIJWAWQVMPAL-PMACEKPBSA-N 1 3 344.430 3.749 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000872020336 1137565080 /nfs/dbraw/zinc/56/50/80/1137565080.db2.gz GFCWMRRYMLNKFL-BEFAXECRSA-N 1 3 344.499 3.545 20 0 EHADHO COc1cc2c(cc1OC)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000872020336 1137565081 /nfs/dbraw/zinc/56/50/81/1137565081.db2.gz GFCWMRRYMLNKFL-BEFAXECRSA-N 1 3 344.499 3.545 20 0 EHADHO C[C@H](NCc1cc(C(F)(F)F)cc(Cl)n1)C1CC[NH+](C)CC1 ZINC000872116571 1137572309 /nfs/dbraw/zinc/57/23/09/1137572309.db2.gz MSRJMBBCDGGXSF-JTQLQIEISA-N 1 3 335.801 3.574 20 0 EHADHO COCCC1([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CCNCC1 ZINC000873224405 1137594326 /nfs/dbraw/zinc/59/43/26/1137594326.db2.gz AJIWAISBTHMRDB-AWEZNQCLSA-N 1 3 344.421 3.557 20 0 EHADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(-c2ccccc2)o1 ZINC000873291329 1137596631 /nfs/dbraw/zinc/59/66/31/1137596631.db2.gz JTWDZLJMUIPJOZ-SJLPKXTDSA-N 1 3 340.467 3.756 20 0 EHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000876935673 1137665795 /nfs/dbraw/zinc/66/57/95/1137665795.db2.gz FRJFYOUVFQATSL-SVQXRNPESA-N 1 3 332.469 3.667 20 0 EHADHO CC(C)(O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000879628401 1137752852 /nfs/dbraw/zinc/75/28/52/1137752852.db2.gz RECKMBHMYIKAQG-UHFFFAOYSA-N 1 3 330.516 3.655 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000886363046 1138071115 /nfs/dbraw/zinc/07/11/15/1138071115.db2.gz YNAKEKIWBDLOKV-FQEVSTJZSA-N 1 3 328.431 3.543 20 0 EHADHO CCC(O)(CC)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886598569 1138100687 /nfs/dbraw/zinc/10/06/87/1138100687.db2.gz FFRYSYFESXGLON-ZCNNSNEGSA-N 1 3 330.516 3.570 20 0 EHADHO Cc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000132726265 1138599125 /nfs/dbraw/zinc/59/91/25/1138599125.db2.gz AXGNYGNWNLFYBZ-UHFFFAOYSA-N 1 3 337.511 3.815 20 0 EHADHO COc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1C ZINC000177985591 1139660660 /nfs/dbraw/zinc/66/06/60/1139660660.db2.gz UXOWQOKXIPAYFK-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180643791 1139853205 /nfs/dbraw/zinc/85/32/05/1139853205.db2.gz KRHRYEMUEDAYBY-QRWLVFNGSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180643791 1139853214 /nfs/dbraw/zinc/85/32/14/1139853214.db2.gz KRHRYEMUEDAYBY-QRWLVFNGSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000182230486 1139959459 /nfs/dbraw/zinc/95/94/59/1139959459.db2.gz UQPSQHKFVVKNMW-HNAYVOBHSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000182230486 1139959463 /nfs/dbraw/zinc/95/94/63/1139959463.db2.gz UQPSQHKFVVKNMW-HNAYVOBHSA-N 1 3 330.497 3.556 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000187766067 1140270429 /nfs/dbraw/zinc/27/04/29/1140270429.db2.gz UHYOVPKWEWGRKY-MRXNPFEDSA-N 1 3 331.529 3.580 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268774526 1140989242 /nfs/dbraw/zinc/98/92/42/1140989242.db2.gz GISHMDZYDCBAHI-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268774526 1140989247 /nfs/dbraw/zinc/98/92/47/1140989247.db2.gz GISHMDZYDCBAHI-STZQEDGTSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520776 1141386701 /nfs/dbraw/zinc/38/67/01/1141386701.db2.gz PMKGWWNPXBKELU-YUXAGFNASA-N 1 3 338.495 3.671 20 0 EHADHO Cc1cccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000271520776 1141386706 /nfs/dbraw/zinc/38/67/06/1141386706.db2.gz PMKGWWNPXBKELU-YUXAGFNASA-N 1 3 338.495 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000283170258 1141566435 /nfs/dbraw/zinc/56/64/35/1141566435.db2.gz DMPKDKPDJIUMHE-NRFANRHFSA-N 1 3 347.522 3.769 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000283170258 1141566437 /nfs/dbraw/zinc/56/64/37/1141566437.db2.gz DMPKDKPDJIUMHE-NRFANRHFSA-N 1 3 347.522 3.769 20 0 EHADHO CCOC(=O)[C@H]1CC[C@@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000283401735 1141617831 /nfs/dbraw/zinc/61/78/31/1141617831.db2.gz QJZSLURBYPDSKF-VQTJNVASSA-N 1 3 344.499 3.631 20 0 EHADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Br)cc1 ZINC000049856228 214033917 /nfs/dbraw/zinc/03/39/17/214033917.db2.gz GWGSOGFGHKLCLT-BBRMVZONSA-N 1 3 325.294 3.974 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(Br)c1 ZINC000037644536 213160821 /nfs/dbraw/zinc/16/08/21/213160821.db2.gz CALFKPXLIVFULZ-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644536 213160827 /nfs/dbraw/zinc/16/08/27/213160827.db2.gz CALFKPXLIVFULZ-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(Br)c1 ZINC000037644536 213160830 /nfs/dbraw/zinc/16/08/30/213160830.db2.gz CALFKPXLIVFULZ-XJKSGUPXSA-N 1 3 325.294 3.832 20 0 EHADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn2ccccc2n1 ZINC000550886576 370700442 /nfs/dbraw/zinc/70/04/42/370700442.db2.gz IBZRVLSGJJRDBS-FGTMMUONSA-N 1 3 328.504 3.743 20 0 EHADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2ccccc2n1 ZINC000550886576 370700445 /nfs/dbraw/zinc/70/04/45/370700445.db2.gz IBZRVLSGJJRDBS-FGTMMUONSA-N 1 3 328.504 3.743 20 0 EHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)N(C)C[C@H]2C)nc1 ZINC001164637883 719250944 /nfs/dbraw/zinc/25/09/44/719250944.db2.gz XCJBIJNAMXEZMU-YQVWRLOYSA-N 1 3 330.520 3.547 20 0 EHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C)N(C)C[C@H]2C)nc1 ZINC001164637883 719250948 /nfs/dbraw/zinc/25/09/48/719250948.db2.gz XCJBIJNAMXEZMU-YQVWRLOYSA-N 1 3 330.520 3.547 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386439 1125478921 /nfs/dbraw/zinc/47/89/21/1125478921.db2.gz NZUGPZGTKVBAJK-YKCBXCCJSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386439 1125478922 /nfs/dbraw/zinc/47/89/22/1125478922.db2.gz NZUGPZGTKVBAJK-YKCBXCCJSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000153386439 1125478924 /nfs/dbraw/zinc/47/89/24/1125478924.db2.gz NZUGPZGTKVBAJK-YKCBXCCJSA-N 1 3 349.950 3.795 20 0 EHADHO Cc1cc(C)c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000904476579 1032072906 /nfs/dbraw/zinc/07/29/06/1032072906.db2.gz UHRBEBYPBHCONF-UNMCSNQZSA-N 1 3 336.479 3.957 20 0 EHADHO C[C@H](c1ccccc1Br)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414757937 1028583987 /nfs/dbraw/zinc/58/39/87/1028583987.db2.gz MCJRCUOGQRICGR-MGPQQGTHSA-N 1 3 325.294 3.830 20 0 EHADHO Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000643545880 1014469234 /nfs/dbraw/zinc/46/92/34/1014469234.db2.gz DWFNVHYGICYRHW-DLBZAZTESA-N 1 3 349.316 3.571 20 0 EHADHO C[C@@H]1CSCCN1Cc1cccc(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000343732943 1032101223 /nfs/dbraw/zinc/10/12/23/1032101223.db2.gz CPLAPLLOGUPYBN-HZPDHXFCSA-N 1 3 336.570 3.561 20 0 EHADHO C[C@@H]1CSCCN1Cc1cccc(C[N@H+]2CCSC[C@H]2C)c1 ZINC000343732943 1032101231 /nfs/dbraw/zinc/10/12/31/1032101231.db2.gz CPLAPLLOGUPYBN-HZPDHXFCSA-N 1 3 336.570 3.561 20 0 EHADHO C[N@@H+]1CCC[C@H](CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606396 1015058903 /nfs/dbraw/zinc/05/89/03/1015058903.db2.gz FTEAZDBRHZLFCD-HKUYNNGSSA-N 1 3 336.907 3.663 20 0 EHADHO C[N@H+]1CCC[C@H](CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001208606396 1015058916 /nfs/dbraw/zinc/05/89/16/1015058916.db2.gz FTEAZDBRHZLFCD-HKUYNNGSSA-N 1 3 336.907 3.663 20 0 EHADHO CCc1nc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000274882433 1015566932 /nfs/dbraw/zinc/56/69/32/1015566932.db2.gz HVEYJGBEAVPTNF-AEFFLSMTSA-N 1 3 343.540 3.748 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449072685 1032160292 /nfs/dbraw/zinc/16/02/92/1032160292.db2.gz GFZQRYKLZCAQCZ-STQMWFEESA-N 1 3 343.298 3.835 20 0 EHADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449072685 1032160299 /nfs/dbraw/zinc/16/02/99/1032160299.db2.gz GFZQRYKLZCAQCZ-STQMWFEESA-N 1 3 343.298 3.835 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCSCC(F)(F)F)CC1 ZINC000536854897 1032352753 /nfs/dbraw/zinc/35/27/53/1032352753.db2.gz XCWSPTYXLPHORK-HIFRSBDPSA-N 1 3 338.483 3.915 20 0 EHADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000536883427 1032388460 /nfs/dbraw/zinc/38/84/60/1032388460.db2.gz WKKBJWTXIOUFQR-TXPKVOOTSA-N 1 3 346.515 3.835 20 0 EHADHO COc1ccc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C(C)C)cc1 ZINC000537016734 1032472392 /nfs/dbraw/zinc/47/23/92/1032472392.db2.gz UIZGDKWJDYHRGS-DBXWQHBBSA-N 1 3 348.531 3.871 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024585 1032488935 /nfs/dbraw/zinc/48/89/35/1032488935.db2.gz QUJVQKOMLFZVEN-FXAWDEMLSA-N 1 3 339.483 3.796 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc2cc1OC ZINC000657859582 1032511039 /nfs/dbraw/zinc/51/10/39/1032511039.db2.gz WGLDTKOXKSOMLE-CABCVRRESA-N 1 3 330.472 3.848 20 0 EHADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000606432085 1032678216 /nfs/dbraw/zinc/67/82/16/1032678216.db2.gz NQFLTAMARMZYOZ-KNKQGSTJSA-N 1 3 341.543 3.554 20 0 EHADHO [NH3+]CCC[C@@H](NCc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000415044094 1017452025 /nfs/dbraw/zinc/45/20/25/1017452025.db2.gz AFPCCEFREVSANY-GOSISDBHSA-N 1 3 338.480 3.775 20 0 EHADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cn3ccccc3n2)CC1 ZINC000655721546 1017459015 /nfs/dbraw/zinc/45/90/15/1017459015.db2.gz PDAJDTYSVKZRJH-QGZVFWFLSA-N 1 3 328.504 3.743 20 0 EHADHO COc1ccc([C@H](Cc2ccc(F)cc2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000415076582 1017509207 /nfs/dbraw/zinc/50/92/07/1017509207.db2.gz CXMFGPABAUPVPX-CTNGQTDRSA-N 1 3 342.458 3.850 20 0 EHADHO C[C@H](Cc1ccccc1Br)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415126723 1017592343 /nfs/dbraw/zinc/59/23/43/1017592343.db2.gz UZNXBJPRDXROCH-VNHYZAJKSA-N 1 3 325.294 3.500 20 0 EHADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892939213 1017791883 /nfs/dbraw/zinc/79/18/83/1017791883.db2.gz WPAFPCYFGMAOSE-UHFFFAOYSA-N 1 3 340.467 3.523 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892939213 1017791894 /nfs/dbraw/zinc/79/18/94/1017791894.db2.gz WPAFPCYFGMAOSE-UHFFFAOYSA-N 1 3 340.467 3.523 20 0 EHADHO c1cc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543300 1032734408 /nfs/dbraw/zinc/73/44/08/1032734408.db2.gz SJSIWVLEZDVUOS-TZIWHRDSSA-N 1 3 343.515 3.688 20 0 EHADHO c1cc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543300 1032734432 /nfs/dbraw/zinc/73/44/32/1032734432.db2.gz SJSIWVLEZDVUOS-TZIWHRDSSA-N 1 3 343.515 3.688 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(F)F)c(F)c2)C[C@H](C)O1 ZINC000893037233 1018245163 /nfs/dbraw/zinc/24/51/63/1018245163.db2.gz FMSGMHBFCPDVRB-OKILXGFUSA-N 1 3 344.421 3.742 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(F)F)c(F)c2)C[C@@H](C)O1 ZINC000893037234 1018245688 /nfs/dbraw/zinc/24/56/88/1018245688.db2.gz FMSGMHBFCPDVRB-ZIAGYGMSSA-N 1 3 344.421 3.742 20 0 EHADHO C[C@@H](NCC1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000462821243 1018261545 /nfs/dbraw/zinc/26/15/45/1018261545.db2.gz YSFIBBPHXOVMHD-CYBMUJFWSA-N 1 3 333.476 3.942 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000683769927 1018457942 /nfs/dbraw/zinc/45/79/42/1018457942.db2.gz RFXGOFMLSPOWED-UHFFFAOYSA-N 1 3 349.478 3.855 20 0 EHADHO COC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCCC1 ZINC000319507259 1019447505 /nfs/dbraw/zinc/44/75/05/1019447505.db2.gz WZNLOIZQHDRQKT-FQEVSTJZSA-N 1 3 330.516 3.838 20 0 EHADHO CN(Cc1cnc2ccccn12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203155125 1019536922 /nfs/dbraw/zinc/53/69/22/1019536922.db2.gz MUGRFEUMJZFZCA-UHFFFAOYSA-N 1 3 348.494 3.678 20 0 EHADHO CCN(CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345188303 1020042297 /nfs/dbraw/zinc/04/22/97/1020042297.db2.gz JXYHIKOUIJTFNW-OAHLLOKOSA-N 1 3 330.394 3.548 20 0 EHADHO C[C@H]([NH3+])[C@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000430593115 1020844282 /nfs/dbraw/zinc/84/42/82/1020844282.db2.gz DEYPBJZGGMAEFD-RXVVDRJESA-N 1 3 338.495 3.852 20 0 EHADHO Cc1ccccc1C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000518686338 1021423159 /nfs/dbraw/zinc/42/31/59/1021423159.db2.gz WDDYLWCQRWUIQS-KNKQGSTJSA-N 1 3 344.543 3.795 20 0 EHADHO CC(CCN(C)Cc1ccns1)CC[N@H+](C)Cc1ccns1 ZINC000639806791 1021654253 /nfs/dbraw/zinc/65/42/53/1021654253.db2.gz GSHVDWUDICGISY-UHFFFAOYSA-N 1 3 338.546 3.580 20 0 EHADHO CC(CCN(C)Cc1ccns1)CC[N@@H+](C)Cc1ccns1 ZINC000639806791 1021654260 /nfs/dbraw/zinc/65/42/60/1021654260.db2.gz GSHVDWUDICGISY-UHFFFAOYSA-N 1 3 338.546 3.580 20 0 EHADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000441041799 1021939534 /nfs/dbraw/zinc/93/95/34/1021939534.db2.gz OHZHXADOHWNUPD-VQTJNVASSA-N 1 3 335.580 3.693 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441406693 1022235573 /nfs/dbraw/zinc/23/55/73/1022235573.db2.gz YVVWTMONFVIFAD-QUCCMNQESA-N 1 3 328.500 3.631 20 0 EHADHO Cc1cccc(C)c1OCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441406693 1022235581 /nfs/dbraw/zinc/23/55/81/1022235581.db2.gz YVVWTMONFVIFAD-QUCCMNQESA-N 1 3 328.500 3.631 20 0 EHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](C)CN(C)C)s2)cc1 ZINC000425936111 1022276530 /nfs/dbraw/zinc/27/65/30/1022276530.db2.gz HEFXSXKVABBOQH-KGLIPLIRSA-N 1 3 347.528 3.975 20 0 EHADHO Cc1ccc(C(=O)C2CC[NH+](CC3CCN(C)CC3)CC2)c(C)c1 ZINC000891702838 1022397918 /nfs/dbraw/zinc/39/79/18/1022397918.db2.gz WSXNIHBHSYYABI-UHFFFAOYSA-N 1 3 328.500 3.540 20 0 EHADHO Fc1cccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974326 1022509668 /nfs/dbraw/zinc/50/96/68/1022509668.db2.gz WDOPECUWAQURBG-YQQQUEKLSA-N 1 3 332.463 3.590 20 0 EHADHO Fc1cccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974326 1022509678 /nfs/dbraw/zinc/50/96/78/1022509678.db2.gz WDOPECUWAQURBG-YQQQUEKLSA-N 1 3 332.463 3.590 20 0 EHADHO Oc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)C2 ZINC000894562728 1022553118 /nfs/dbraw/zinc/55/31/18/1022553118.db2.gz YDKITRUJSZKQSU-WJMWBRGCSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@H](N[C@H]1C[C@H]3C[C@@H](C1)[N@H+](Cc1ccccc1)C3)C2 ZINC000894562728 1022553126 /nfs/dbraw/zinc/55/31/26/1022553126.db2.gz YDKITRUJSZKQSU-WJMWBRGCSA-N 1 3 348.490 3.502 20 0 EHADHO Oc1cccc2c1C[C@H](N[C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)C2 ZINC000894562728 1022553130 /nfs/dbraw/zinc/55/31/30/1022553130.db2.gz YDKITRUJSZKQSU-WJMWBRGCSA-N 1 3 348.490 3.502 20 0 EHADHO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000517714126 1022604201 /nfs/dbraw/zinc/60/42/01/1022604201.db2.gz TXYLURIBIJEBTN-DKSSEZFCSA-N 1 3 332.488 3.801 20 0 EHADHO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OCc1cccs1 ZINC000517742136 1022614589 /nfs/dbraw/zinc/61/45/89/1022614589.db2.gz NKJVMPZAUJRFCB-ZIAGYGMSSA-N 1 3 334.485 3.551 20 0 EHADHO CCc1noc(C)c1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471863124 1022691520 /nfs/dbraw/zinc/69/15/20/1022691520.db2.gz UUDGOJPRCVXOHA-WIYYLYMNSA-N 1 3 341.499 3.718 20 0 EHADHO C[C@@H]1CNCC[C@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000414941234 1022914954 /nfs/dbraw/zinc/91/49/54/1022914954.db2.gz LEHLVTMJPCHINJ-QVKFZJNVSA-N 1 3 344.449 3.706 20 0 EHADHO C[C@@H]1C[NH2+]CC[C@H]1NC(Cc1ccccc1F)Cc1ccccc1F ZINC000414941234 1022914961 /nfs/dbraw/zinc/91/49/61/1022914961.db2.gz LEHLVTMJPCHINJ-QVKFZJNVSA-N 1 3 344.449 3.706 20 0 EHADHO c1[nH]nc2cc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467144 1023007740 /nfs/dbraw/zinc/00/77/40/1023007740.db2.gz DBZUJYQUTHFWRL-SFTDATJTSA-N 1 3 346.478 3.517 20 0 EHADHO c1[nH]nc2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc12 ZINC000520467144 1023007751 /nfs/dbraw/zinc/00/77/51/1023007751.db2.gz DBZUJYQUTHFWRL-SFTDATJTSA-N 1 3 346.478 3.517 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2NCCc3ccccc32)CCN1Cc1ccccc1 ZINC000414959177 1023065379 /nfs/dbraw/zinc/06/53/79/1023065379.db2.gz RXRVWJAEACQFAG-JMUQELJHSA-N 1 3 349.522 3.516 20 0 EHADHO C[C@@H](c1ccccc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198154 1033106311 /nfs/dbraw/zinc/10/63/11/1033106311.db2.gz CSARPUJJHQZBEB-SUMWQHHRSA-N 1 3 337.305 3.974 20 0 EHADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000518265773 1023175197 /nfs/dbraw/zinc/17/51/97/1023175197.db2.gz BQKUHXWVFSTHJY-FLIBITNWSA-N 1 3 349.522 3.627 20 0 EHADHO CCC(CC)(CNCC1(OC)CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000277012251 1023699530 /nfs/dbraw/zinc/69/95/30/1023699530.db2.gz LJZYDEWJEQXTTH-SFHVURJKSA-N 1 3 348.531 3.681 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168019215 1023987172 /nfs/dbraw/zinc/98/71/72/1023987172.db2.gz HMWXINQTQIGDOA-RMFSNUHRSA-N 1 3 341.543 3.644 20 0 EHADHO Oc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001168004678 1024229295 /nfs/dbraw/zinc/22/92/95/1024229295.db2.gz XJBKSPIOFONBPL-WCRBZPEASA-N 1 3 340.511 3.977 20 0 EHADHO Oc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168004678 1024229301 /nfs/dbraw/zinc/22/93/01/1024229301.db2.gz XJBKSPIOFONBPL-WCRBZPEASA-N 1 3 340.511 3.977 20 0 EHADHO Oc1cccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001168004678 1024229308 /nfs/dbraw/zinc/22/93/08/1024229308.db2.gz XJBKSPIOFONBPL-WCRBZPEASA-N 1 3 340.511 3.977 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)CC3 ZINC000514693502 1024676231 /nfs/dbraw/zinc/67/62/31/1024676231.db2.gz OQNKFPKGRLMKHV-SJORKVTESA-N 1 3 325.500 3.654 20 0 EHADHO COc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427165 1024915564 /nfs/dbraw/zinc/91/55/64/1024915564.db2.gz LROBOSGTNFXZTR-LJQANCHMSA-N 1 3 342.508 3.901 20 0 EHADHO COc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435427164 1024916751 /nfs/dbraw/zinc/91/67/51/1024916751.db2.gz LROBOSGTNFXZTR-IBGZPJMESA-N 1 3 342.508 3.901 20 0 EHADHO Brc1ccc(CC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000665265033 1025090187 /nfs/dbraw/zinc/09/01/87/1025090187.db2.gz OBWRXPLQCSIOME-SJPCQFCGSA-N 1 3 349.316 3.644 20 0 EHADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428242449 1025153478 /nfs/dbraw/zinc/15/34/78/1025153478.db2.gz SRWDSCYLZSUPLP-GXRSIYKFSA-N 1 3 344.543 3.674 20 0 EHADHO CCCN(Cc1ccc(OCc2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000347011418 1025408908 /nfs/dbraw/zinc/40/89/08/1025408908.db2.gz GHXIWDJAPOSYAY-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CCNCC1 ZINC000347011418 1025408914 /nfs/dbraw/zinc/40/89/14/1025408914.db2.gz GHXIWDJAPOSYAY-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CCC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CCNCC1 ZINC000347011418 1025408921 /nfs/dbraw/zinc/40/89/21/1025408921.db2.gz GHXIWDJAPOSYAY-UHFFFAOYSA-N 1 3 339.483 3.625 20 0 EHADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442871044 1025543416 /nfs/dbraw/zinc/54/34/16/1025543416.db2.gz AVYQOXDMVGHHIN-SFHVURJKSA-N 1 3 337.939 3.653 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC1(C)C ZINC000442875709 1025548647 /nfs/dbraw/zinc/54/86/47/1025548647.db2.gz WOSFTWUHJDLDFA-HKUYNNGSSA-N 1 3 349.950 3.592 20 0 EHADHO CCCN1CCC([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000125037215 1026118242 /nfs/dbraw/zinc/11/82/42/1026118242.db2.gz WFCSTLKBSDTCTP-GOSISDBHSA-N 1 3 329.532 3.676 20 0 EHADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CNC3)cc1)C(C)C ZINC000582545685 1026541173 /nfs/dbraw/zinc/54/11/73/1026541173.db2.gz BNCKCOLYMHXROB-UHFFFAOYSA-N 1 3 337.467 3.772 20 0 EHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CNC3)cc1)C(C)C ZINC000582545685 1026541181 /nfs/dbraw/zinc/54/11/81/1026541181.db2.gz BNCKCOLYMHXROB-UHFFFAOYSA-N 1 3 337.467 3.772 20 0 EHADHO C[C@@H]1C[C@@H](N2CC(N3CCCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063959 1026589995 /nfs/dbraw/zinc/58/99/95/1026589995.db2.gz ORXBFLHLKXZULR-CEQLMSFQSA-N 1 3 341.543 3.598 20 0 EHADHO C[C@@H]1C[C@@H](N2CC(N3CCCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063959 1026590005 /nfs/dbraw/zinc/59/00/05/1026590005.db2.gz ORXBFLHLKXZULR-CEQLMSFQSA-N 1 3 341.543 3.598 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378466 1026865870 /nfs/dbraw/zinc/86/58/70/1026865870.db2.gz NKYIKAYLFVPNFW-GOEBONIOSA-N 1 3 344.421 3.932 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378466 1026865876 /nfs/dbraw/zinc/86/58/76/1026865876.db2.gz NKYIKAYLFVPNFW-GOEBONIOSA-N 1 3 344.421 3.932 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000582725533 1027073495 /nfs/dbraw/zinc/07/34/95/1027073495.db2.gz OMGUBGMPDXJKCH-LSDHHAIUSA-N 1 3 340.496 3.816 20 0 EHADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000125803364 1027128688 /nfs/dbraw/zinc/12/86/88/1027128688.db2.gz RKGFPDOHODCZTE-FUHWJXTLSA-N 1 3 332.488 3.619 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453133806 1027438262 /nfs/dbraw/zinc/43/82/62/1027438262.db2.gz RJGKICYVXOMKBX-ZACQAIPSSA-N 1 3 326.406 3.972 20 0 EHADHO FC(F)(F)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453133806 1027438282 /nfs/dbraw/zinc/43/82/82/1027438282.db2.gz RJGKICYVXOMKBX-ZACQAIPSSA-N 1 3 326.406 3.972 20 0 EHADHO CCN(C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000420299129 1027449778 /nfs/dbraw/zinc/44/97/78/1027449778.db2.gz GJDHLMTXQYPPIV-MAUKXSAKSA-N 1 3 328.456 3.526 20 0 EHADHO Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420300151 1027450532 /nfs/dbraw/zinc/45/05/32/1027450532.db2.gz HJCGBHVWEPCEGN-IBGZPJMESA-N 1 3 340.515 3.619 20 0 EHADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420316051 1027462802 /nfs/dbraw/zinc/46/28/02/1027462802.db2.gz SNDDVAUWJSTLPI-YADHBBJMSA-N 1 3 337.511 3.686 20 0 EHADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420316051 1027462815 /nfs/dbraw/zinc/46/28/15/1027462815.db2.gz SNDDVAUWJSTLPI-YADHBBJMSA-N 1 3 337.511 3.686 20 0 EHADHO Clc1ccc(-c2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)on2)cc1 ZINC000420344993 1027477081 /nfs/dbraw/zinc/47/70/81/1027477081.db2.gz VMCJEKBTLXOWNT-GOSISDBHSA-N 1 3 345.874 3.959 20 0 EHADHO Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657595795 1027573037 /nfs/dbraw/zinc/57/30/37/1027573037.db2.gz KBWLGHWKVCMQFI-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO Cc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657595795 1027573050 /nfs/dbraw/zinc/57/30/50/1027573050.db2.gz KBWLGHWKVCMQFI-IBGZPJMESA-N 1 3 344.886 3.505 20 0 EHADHO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657612999 1027630978 /nfs/dbraw/zinc/63/09/78/1027630978.db2.gz TVYKYWCWBHEWEI-OXQOHEQNSA-N 1 3 339.483 3.800 20 0 EHADHO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000475567977 1027645342 /nfs/dbraw/zinc/64/53/42/1027645342.db2.gz FEZPVIZHKFWSKM-NSKBAKJYSA-N 1 3 342.527 3.977 20 0 EHADHO [NH3+][C@@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCCC2)c2ccccc21 ZINC000422731417 1027877933 /nfs/dbraw/zinc/87/79/33/1027877933.db2.gz LPKMDUSXOLEOEU-KURKYZTESA-N 1 3 327.497 3.619 20 0 EHADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422717940 1027886849 /nfs/dbraw/zinc/88/68/49/1027886849.db2.gz KXBWLOXXOMIXRM-BRWVUGGUSA-N 1 3 343.437 3.558 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422722222 1027889590 /nfs/dbraw/zinc/88/95/90/1027889590.db2.gz XFISZTHTNZNKQU-UYAOXDASSA-N 1 3 343.515 3.813 20 0 EHADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422744297 1027910508 /nfs/dbraw/zinc/91/05/08/1027910508.db2.gz JVQPIQQKUSEHJG-HOTGVXAUSA-N 1 3 337.305 3.730 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(Br)cc1 ZINC000422751986 1027918492 /nfs/dbraw/zinc/91/84/92/1027918492.db2.gz CCGLJVDQLYLJRC-LBPRGKRZSA-N 1 3 348.288 3.505 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000422768845 1027924818 /nfs/dbraw/zinc/92/48/18/1027924818.db2.gz SHYLMBCJHGKQSD-RTBURBONSA-N 1 3 332.875 3.773 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818155 1027983549 /nfs/dbraw/zinc/98/35/49/1027983549.db2.gz JKDSSRDJBBKCTG-GHJWDPDVSA-N 1 3 329.410 3.868 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421031378 1027993084 /nfs/dbraw/zinc/99/30/84/1027993084.db2.gz ZXFCHODGQDNQIA-OAQYLSRUSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421031378 1027993094 /nfs/dbraw/zinc/99/30/94/1027993094.db2.gz ZXFCHODGQDNQIA-OAQYLSRUSA-N 1 3 343.559 3.671 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422842839 1028002613 /nfs/dbraw/zinc/00/26/13/1028002613.db2.gz GPVXTLZDPMJVGO-WDSOQIARSA-N 1 3 335.923 3.584 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000422914999 1028050933 /nfs/dbraw/zinc/05/09/33/1028050933.db2.gz AEUWSRLOZWYUGI-STQMWFEESA-N 1 3 333.863 3.620 20 0 EHADHO Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422938996 1028068599 /nfs/dbraw/zinc/06/85/99/1028068599.db2.gz QMOZLNVESBHCIT-QKNQBKEWSA-N 1 3 338.426 3.659 20 0 EHADHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422941681 1028071657 /nfs/dbraw/zinc/07/16/57/1028071657.db2.gz VJTILRUNSBYGLR-MOPGFXCFSA-N 1 3 332.875 3.773 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422964025 1028080834 /nfs/dbraw/zinc/08/08/34/1028080834.db2.gz KFYTVPCUIZKMBV-FCHUYYIVSA-N 1 3 346.478 3.848 20 0 EHADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(Br)c2)CCCC1 ZINC000422994655 1028100033 /nfs/dbraw/zinc/10/00/33/1028100033.db2.gz IGBKYFYTKPOWAX-HOTGVXAUSA-N 1 3 337.305 3.730 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(c2ccc(F)cc2F)CC1 ZINC000423012986 1028124236 /nfs/dbraw/zinc/12/42/36/1028124236.db2.gz LTBNRAMYIVSORT-AUUYWEPGSA-N 1 3 330.422 3.545 20 0 EHADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423026547 1028137346 /nfs/dbraw/zinc/13/73/46/1028137346.db2.gz QGJQUIPIKDQVEL-CLAROIROSA-N 1 3 342.527 3.934 20 0 EHADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000423037784 1028144460 /nfs/dbraw/zinc/14/44/60/1028144460.db2.gz BXJYDNREYBYUMY-DPMMWBKBSA-N 1 3 345.849 3.792 20 0 EHADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000657689278 1028147762 /nfs/dbraw/zinc/14/77/62/1028147762.db2.gz LKTDJSGJCJIWQW-WIYYLYMNSA-N 1 3 344.547 3.518 20 0 EHADHO Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423045937 1028151856 /nfs/dbraw/zinc/15/18/56/1028151856.db2.gz CXSKXAGKEYROPC-HUUCEWRRSA-N 1 3 329.513 3.989 20 0 EHADHO c1cc2c(s1)CCC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423051410 1028164255 /nfs/dbraw/zinc/16/42/55/1028164255.db2.gz ODCVBDJPBDJOCN-SQGPQFPESA-N 1 3 340.492 3.971 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccnc(Oc2ccccc2F)c1 ZINC000423089312 1028177725 /nfs/dbraw/zinc/17/77/25/1028177725.db2.gz SAMWHLLZRYABKQ-RDJZCZTQSA-N 1 3 329.419 3.620 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(Br)s2)CCC1 ZINC000423098976 1028183544 /nfs/dbraw/zinc/18/35/44/1028183544.db2.gz DPGNJIPVAIEBDJ-WDEREUQCSA-N 1 3 331.323 3.648 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423130293 1028196521 /nfs/dbraw/zinc/19/65/21/1028196521.db2.gz GOIDDBGSKVCTIA-QWRGUYRKSA-N 1 3 345.712 3.850 20 0 EHADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423136465 1028220514 /nfs/dbraw/zinc/22/05/14/1028220514.db2.gz VBZNGZRRYKJISW-CJNGLKHVSA-N 1 3 337.305 3.588 20 0 EHADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000423184045 1028232658 /nfs/dbraw/zinc/23/26/58/1028232658.db2.gz HMOFBZKKIGFTBS-AWEZNQCLSA-N 1 3 348.288 3.675 20 0 EHADHO C[C@H](N[C@@H]1CCCc2c(Br)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000423211325 1028254701 /nfs/dbraw/zinc/25/47/01/1028254701.db2.gz GVSKWXPIPIKMSI-OGHNNQOOSA-N 1 3 337.305 3.804 20 0 EHADHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000161745365 1028281520 /nfs/dbraw/zinc/28/15/20/1028281520.db2.gz ZQQIWFJPWSGJHU-QGZVFWFLSA-N 1 3 341.902 3.546 20 0 EHADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H]1SC ZINC000459371828 1028321463 /nfs/dbraw/zinc/32/14/63/1028321463.db2.gz HGGSYRUFCQEQLJ-XUVXKRRUSA-N 1 3 348.556 3.671 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423286044 1028326099 /nfs/dbraw/zinc/32/60/99/1028326099.db2.gz ZHUHMPOMYGYION-DUVNUKRYSA-N 1 3 330.501 3.682 20 0 EHADHO COCCOc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423295927 1028356785 /nfs/dbraw/zinc/35/67/85/1028356785.db2.gz XUNWCIXNUNWKIH-JKSUJKDBSA-N 1 3 328.456 3.582 20 0 EHADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000909613031 1028423120 /nfs/dbraw/zinc/42/31/20/1028423120.db2.gz FWUVHLYTYPPYJC-IBGZPJMESA-N 1 3 331.504 3.506 20 0 EHADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423465783 1028452248 /nfs/dbraw/zinc/45/22/48/1028452248.db2.gz NDFLVGFWCNSUBO-AMJWSMQMSA-N 1 3 336.277 3.633 20 0 EHADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423564696 1028517170 /nfs/dbraw/zinc/51/71/70/1028517170.db2.gz SAPUZNGPLWBEHV-LLVKDONJSA-N 1 3 327.241 3.549 20 0 EHADHO CC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246890927 1028708195 /nfs/dbraw/zinc/70/81/95/1028708195.db2.gz DSPWVEUVVKAJLC-QFBILLFUSA-N 1 3 327.472 3.512 20 0 EHADHO CC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000246890927 1028708210 /nfs/dbraw/zinc/70/82/10/1028708210.db2.gz DSPWVEUVVKAJLC-QFBILLFUSA-N 1 3 327.472 3.512 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000248439691 1028904588 /nfs/dbraw/zinc/90/45/88/1028904588.db2.gz IVHJOJQASVCDLJ-DNVCBOLYSA-N 1 3 344.524 3.782 20 0 EHADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000248439691 1028904603 /nfs/dbraw/zinc/90/46/03/1028904603.db2.gz IVHJOJQASVCDLJ-DNVCBOLYSA-N 1 3 344.524 3.782 20 0 EHADHO C[C@@H]1CC2(CN1Cc1coc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424290547 1028931535 /nfs/dbraw/zinc/93/15/35/1028931535.db2.gz MUSGIHKVCAZTIZ-CQSZACIVSA-N 1 3 345.874 3.959 20 0 EHADHO C[C@H]1CC2(CN1Cc1ncc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000424368574 1029031075 /nfs/dbraw/zinc/03/10/75/1029031075.db2.gz AOTKXOSVJASNFP-HNNXBMFYSA-N 1 3 327.497 3.774 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000414815598 1029345306 /nfs/dbraw/zinc/34/53/06/1029345306.db2.gz XSNVHCYXGWZBFM-CYBMUJFWSA-N 1 3 346.858 3.811 20 0 EHADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000093115759 1029812348 /nfs/dbraw/zinc/81/23/48/1029812348.db2.gz FEVURROIVCUUKI-NRFANRHFSA-N 1 3 342.458 3.933 20 0 EHADHO CC[C@@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C)cc1 ZINC000090525101 1030136588 /nfs/dbraw/zinc/13/65/88/1030136588.db2.gz PRYLYEYBOLQWRK-NJYVYQBISA-N 1 3 330.516 3.804 20 0 EHADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531969139 1030175042 /nfs/dbraw/zinc/17/50/42/1030175042.db2.gz IFMBVULSKVDTLL-KSSFIOAISA-N 1 3 331.504 3.588 20 0 EHADHO C[NH2+]CC1CCN(Cc2ccc(OC)c(OCCC(C)C)c2)CC1 ZINC000470003566 1030182933 /nfs/dbraw/zinc/18/29/33/1030182933.db2.gz RXMJCHUZWKIHAG-UHFFFAOYSA-N 1 3 334.504 3.552 20 0 EHADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2c(Cl)oc3ccccc32)C1 ZINC000650722971 1030198484 /nfs/dbraw/zinc/19/84/84/1030198484.db2.gz FMWNHUXSTBEKMH-QBIMZIAESA-N 1 3 348.874 3.947 20 0 EHADHO c1cc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cc2c1OCC2 ZINC000482220825 1030265365 /nfs/dbraw/zinc/26/53/65/1030265365.db2.gz NRWKPOOOCCXYGA-UHFFFAOYSA-N 1 3 342.527 3.941 20 0 EHADHO C[N@H+](CCCCNCc1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000453595811 1030356095 /nfs/dbraw/zinc/35/60/95/1030356095.db2.gz KWEPXNGUESIADO-UHFFFAOYSA-N 1 3 334.357 3.688 20 0 EHADHO C[N@@H+](CCCCNCc1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000453595811 1030356111 /nfs/dbraw/zinc/35/61/11/1030356111.db2.gz KWEPXNGUESIADO-UHFFFAOYSA-N 1 3 334.357 3.688 20 0 EHADHO CC(C)n1cc([C@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000532229346 1030492645 /nfs/dbraw/zinc/49/26/45/1030492645.db2.gz VXELFGFOKORYQX-SJORKVTESA-N 1 3 344.503 3.816 20 0 EHADHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N(CC)CC)cc1 ZINC000550847942 1030529067 /nfs/dbraw/zinc/52/90/67/1030529067.db2.gz QVBWLIINHLDRMU-UIFIKXQLSA-N 1 3 331.548 3.562 20 0 EHADHO C[C@H]1C[C@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644446 1030646798 /nfs/dbraw/zinc/64/67/98/1030646798.db2.gz KTPZOOCBPAEUFU-FXAWDEMLSA-N 1 3 348.494 3.940 20 0 EHADHO C[C@H]1C[C@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644446 1030646804 /nfs/dbraw/zinc/64/68/04/1030646804.db2.gz KTPZOOCBPAEUFU-FXAWDEMLSA-N 1 3 348.494 3.940 20 0 EHADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688385 1030662037 /nfs/dbraw/zinc/66/20/37/1030662037.db2.gz HCOGCNWVPSLHES-UHFFFAOYSA-N 1 3 340.515 3.735 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037381 1030921747 /nfs/dbraw/zinc/92/17/47/1030921747.db2.gz BDUZXIWLAWJRTP-YXJHDRRASA-N 1 3 332.488 3.544 20 0 EHADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCCC2 ZINC000872037381 1030921762 /nfs/dbraw/zinc/92/17/62/1030921762.db2.gz BDUZXIWLAWJRTP-YXJHDRRASA-N 1 3 332.488 3.544 20 0 EHADHO CC(C)c1cccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000527877725 1031406470 /nfs/dbraw/zinc/40/64/70/1031406470.db2.gz SZQZRBXLOAHXEL-QGZVFWFLSA-N 1 3 341.499 3.996 20 0 EHADHO C[N@@H+]1CCC[C@H](CNCc2cccc3c[nH]nc32)[C@H]1c1ccccc1 ZINC000551803630 1031662837 /nfs/dbraw/zinc/66/28/37/1031662837.db2.gz HYRPAZLEIBICIV-TZIWHRDSSA-N 1 3 334.467 3.736 20 0 EHADHO C[N@H+]1CCC[C@H](CNCc2cccc3c[nH]nc32)[C@H]1c1ccccc1 ZINC000551803630 1031662845 /nfs/dbraw/zinc/66/28/45/1031662845.db2.gz HYRPAZLEIBICIV-TZIWHRDSSA-N 1 3 334.467 3.736 20 0 EHADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000584199749 1031924107 /nfs/dbraw/zinc/92/41/07/1031924107.db2.gz VXNCRFHUZDLINH-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000584199749 1031924113 /nfs/dbraw/zinc/92/41/13/1031924113.db2.gz VXNCRFHUZDLINH-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1nc(-c2ccc(CCNC[C@@]3(C)CCC[NH2+]C3)s2)cs1 ZINC000904360137 1031976229 /nfs/dbraw/zinc/97/62/29/1031976229.db2.gz HXTBDDNMUCDFFS-KRWDZBQOSA-N 1 3 335.542 3.702 20 0 EHADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000595035624 1033655468 /nfs/dbraw/zinc/65/54/68/1033655468.db2.gz YIJCUKZHJBLRNG-YESZJQIVSA-N 1 3 338.536 3.597 20 0 EHADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000595035621 1033655624 /nfs/dbraw/zinc/65/56/24/1033655624.db2.gz YIJCUKZHJBLRNG-BBWFWOEESA-N 1 3 338.536 3.597 20 0 EHADHO Fc1ccc2c(c1)nccc2N1CCN(Cc2ccsc2)CC1 ZINC000603493104 1033705370 /nfs/dbraw/zinc/70/53/70/1033705370.db2.gz VUGUILYXAVGVHX-UHFFFAOYSA-N 1 3 327.428 3.758 20 0 EHADHO Fc1ccc2c(c1)nccc2N1CC[NH+](Cc2ccsc2)CC1 ZINC000603493104 1033705387 /nfs/dbraw/zinc/70/53/87/1033705387.db2.gz VUGUILYXAVGVHX-UHFFFAOYSA-N 1 3 327.428 3.758 20 0 EHADHO Fc1ccc2c(c1)[nH+]ccc2N1CCN(Cc2ccsc2)CC1 ZINC000603493104 1033705412 /nfs/dbraw/zinc/70/54/12/1033705412.db2.gz VUGUILYXAVGVHX-UHFFFAOYSA-N 1 3 327.428 3.758 20 0 EHADHO C[C@@H](Cc1ccccc1F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164438 1034028284 /nfs/dbraw/zinc/02/82/84/1034028284.db2.gz CZDVGWWIKXMNBQ-KRWDZBQOSA-N 1 3 341.474 3.654 20 0 EHADHO Cc1ccc([C@@H](CNC2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1 ZINC000118949857 1034061785 /nfs/dbraw/zinc/06/17/85/1034061785.db2.gz MQLBDFUNYWAEFH-JOCHJYFZSA-N 1 3 343.559 3.984 20 0 EHADHO CC(C)(C)OC(=O)[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)C1CCC1 ZINC000596118345 1034081780 /nfs/dbraw/zinc/08/17/80/1034081780.db2.gz WOLWLSCUGYEEFM-QGZVFWFLSA-N 1 3 338.536 3.597 20 0 EHADHO CC(C)(C)OC(=O)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CCC1 ZINC000596118345 1034081794 /nfs/dbraw/zinc/08/17/94/1034081794.db2.gz WOLWLSCUGYEEFM-QGZVFWFLSA-N 1 3 338.536 3.597 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686674 1034276817 /nfs/dbraw/zinc/27/68/17/1034276817.db2.gz VGQUUMIGCCBAAR-VMXMFDLUSA-N 1 3 330.516 3.959 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC001167686674 1034276827 /nfs/dbraw/zinc/27/68/27/1034276827.db2.gz VGQUUMIGCCBAAR-VMXMFDLUSA-N 1 3 330.516 3.959 20 0 EHADHO CN(C)Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456287910 1034278764 /nfs/dbraw/zinc/27/87/64/1034278764.db2.gz WGLPZFAVLPYWHD-FQEVSTJZSA-N 1 3 337.467 3.549 20 0 EHADHO C[C@H](c1cccc2ccccc21)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388744 1034358577 /nfs/dbraw/zinc/35/85/77/1034358577.db2.gz NIFZNSFBKUCUAK-QUCCMNQESA-N 1 3 337.511 3.613 20 0 EHADHO C[C@H](c1cccc2ccccc21)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388744 1034358590 /nfs/dbraw/zinc/35/85/90/1034358590.db2.gz NIFZNSFBKUCUAK-QUCCMNQESA-N 1 3 337.511 3.613 20 0 EHADHO C[C@@H](c1cccc2ccccc21)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388742 1034359216 /nfs/dbraw/zinc/35/92/16/1034359216.db2.gz NIFZNSFBKUCUAK-ICSRJNTNSA-N 1 3 337.511 3.613 20 0 EHADHO C[C@@H](c1cccc2ccccc21)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388742 1034359230 /nfs/dbraw/zinc/35/92/30/1034359230.db2.gz NIFZNSFBKUCUAK-ICSRJNTNSA-N 1 3 337.511 3.613 20 0 EHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000534329365 1034403485 /nfs/dbraw/zinc/40/34/85/1034403485.db2.gz NOXXCYSXEINTKG-KBPBESRZSA-N 1 3 340.870 3.631 20 0 EHADHO CCN(CC)c1ncc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000534347780 1034422533 /nfs/dbraw/zinc/42/25/33/1034422533.db2.gz AHRYOEIDDONAAL-UHFFFAOYSA-N 1 3 338.565 3.542 20 0 EHADHO CCN(CC)c1ncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000534347780 1034422539 /nfs/dbraw/zinc/42/25/39/1034422539.db2.gz AHRYOEIDDONAAL-UHFFFAOYSA-N 1 3 338.565 3.542 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257373 1034481544 /nfs/dbraw/zinc/48/15/44/1034481544.db2.gz WFDSRICLLYINMB-HSALFYBXSA-N 1 3 340.515 3.913 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257373 1034481548 /nfs/dbraw/zinc/48/15/48/1034481548.db2.gz WFDSRICLLYINMB-HSALFYBXSA-N 1 3 340.515 3.913 20 0 EHADHO COc1ccc(CN2CCC(CC[NH3+])CC2)cc1OCCC(C)C ZINC000571886084 1035773070 /nfs/dbraw/zinc/77/30/70/1035773070.db2.gz HINISIACROYKFP-UHFFFAOYSA-N 1 3 334.504 3.681 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1F ZINC000414169867 1035869954 /nfs/dbraw/zinc/86/99/54/1035869954.db2.gz BQRISIYQFUHEOA-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1F ZINC000414169867 1035869971 /nfs/dbraw/zinc/86/99/71/1035869971.db2.gz BQRISIYQFUHEOA-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000588755038 1036025772 /nfs/dbraw/zinc/02/57/72/1036025772.db2.gz LVEGGVKKIVUSCX-HMFYCAOWSA-N 1 3 342.527 3.885 20 0 EHADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000414211639 1036085521 /nfs/dbraw/zinc/08/55/21/1036085521.db2.gz VQSJAYFYUFUBIZ-FYZZASKESA-N 1 3 330.516 3.549 20 0 EHADHO c1ccc2c(CNCc3ccc(C[NH+]4CCCCC4)cc3)n[nH]c2c1 ZINC000589638398 1036570010 /nfs/dbraw/zinc/57/00/10/1036570010.db2.gz YHWFLBAYFYZIOC-UHFFFAOYSA-N 1 3 334.467 3.839 20 0 EHADHO c1ccc2c(c1)n[nH]c2CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000589638398 1036570023 /nfs/dbraw/zinc/57/00/23/1036570023.db2.gz YHWFLBAYFYZIOC-UHFFFAOYSA-N 1 3 334.467 3.839 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)c3cccnc3)CC2)C1 ZINC000414325296 1036689786 /nfs/dbraw/zinc/68/97/86/1036689786.db2.gz CPTFCJNYZXRFCM-XLIONFOSSA-N 1 3 329.532 3.992 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4COc5ccccc54)[C@@H]3C2)cc1 ZINC000311835389 1037043973 /nfs/dbraw/zinc/04/39/73/1037043973.db2.gz PTGNTMFWURDLBQ-MPJJRAAHSA-N 1 3 348.490 3.663 20 0 EHADHO COc1ccccc1C(C)(C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000590798123 1037063393 /nfs/dbraw/zinc/06/33/93/1037063393.db2.gz DIJDAPZXWSEZPF-UHFFFAOYSA-N 1 3 342.483 3.661 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000423295929 1037204642 /nfs/dbraw/zinc/20/46/42/1037204642.db2.gz XURMFQMCJQOZDG-FZKQIMNGSA-N 1 3 326.440 3.501 20 0 EHADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000223196173 1037262220 /nfs/dbraw/zinc/26/22/20/1037262220.db2.gz KBYDZWMUFKYIFL-LBPRGKRZSA-N 1 3 343.284 3.971 20 0 EHADHO COc1cc(C)ccc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000532476111 1037477156 /nfs/dbraw/zinc/47/71/56/1037477156.db2.gz FRIXIYYOWYNBAF-QGZVFWFLSA-N 1 3 342.483 3.795 20 0 EHADHO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000303502294 1037484509 /nfs/dbraw/zinc/48/45/09/1037484509.db2.gz AQZQDQXQYGFIOD-GOSISDBHSA-N 1 3 343.515 3.528 20 0 EHADHO C[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCCC[C@@H]1C ZINC000463148373 1037813786 /nfs/dbraw/zinc/81/37/86/1037813786.db2.gz SDHGOWJTLXTHNQ-PMACEKPBSA-N 1 3 343.559 3.546 20 0 EHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](N)C2CC2)CCC3)cc1 ZINC000643516338 1038611921 /nfs/dbraw/zinc/61/19/21/1038611921.db2.gz CIIRBRKASJXGAN-JKSUJKDBSA-N 1 3 343.496 3.523 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)C[C@@H](C)O1 ZINC000539070968 1038669299 /nfs/dbraw/zinc/66/92/99/1038669299.db2.gz ATARXNJDTMKMMK-SPYBWZPUSA-N 1 3 336.907 3.806 20 0 EHADHO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183097022 1038670289 /nfs/dbraw/zinc/67/02/89/1038670289.db2.gz QBGSEGJPPIHJLX-ZWKOTPCHSA-N 1 3 348.531 3.740 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552048041 1038917142 /nfs/dbraw/zinc/91/71/42/1038917142.db2.gz FLJBKJBOVOXOFA-CEMLEFRQSA-N 1 3 337.511 3.806 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552048041 1038917153 /nfs/dbraw/zinc/91/71/53/1038917153.db2.gz FLJBKJBOVOXOFA-CEMLEFRQSA-N 1 3 337.511 3.806 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000477867453 1038979277 /nfs/dbraw/zinc/97/92/77/1038979277.db2.gz UBHFMIRDSJJEPR-JRGCBEDISA-N 1 3 336.564 3.950 20 0 EHADHO CC[C@H]([NH2+]C[C@H](C)N)c1ccc(Br)cc1C(F)(F)F ZINC000643527282 1039127718 /nfs/dbraw/zinc/12/77/18/1039127718.db2.gz KVAYXMXMXBHBOZ-UFBFGSQYSA-N 1 3 339.199 3.856 20 0 EHADHO CC(C)CCn1cccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000236635458 1039230495 /nfs/dbraw/zinc/23/04/95/1039230495.db2.gz HROPVZJYSAKKNO-RTBURBONSA-N 1 3 335.536 3.513 20 0 EHADHO c1ccc([C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]2CCOC2)cc1 ZINC000552525193 1039352485 /nfs/dbraw/zinc/35/24/85/1039352485.db2.gz HBJONUWGTQWGRJ-WIYYLYMNSA-N 1 3 328.500 3.761 20 0 EHADHO C[C@@H]1CCC[C@@](C[NH2+]C2CCN(Cc3ccccc3)CC2)(N(C)C)C1 ZINC000237511944 1039377120 /nfs/dbraw/zinc/37/71/20/1039377120.db2.gz IFQUHNUUASCCBF-DENIHFKCSA-N 1 3 343.559 3.751 20 0 EHADHO CCCN1CCC([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000152950073 1039814937 /nfs/dbraw/zinc/81/49/37/1039814937.db2.gz ZTVIAGGETUMEPU-NRFANRHFSA-N 1 3 329.532 3.505 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC000549803653 1039919368 /nfs/dbraw/zinc/91/93/68/1039919368.db2.gz BIASZCBBQKXUGV-CEXWTWQISA-N 1 3 338.536 3.743 20 0 EHADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479441974 1040234454 /nfs/dbraw/zinc/23/44/54/1040234454.db2.gz BSJZRDBZFOREPR-UZKOGDIHSA-N 1 3 338.495 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479441974 1040234474 /nfs/dbraw/zinc/23/44/74/1040234474.db2.gz BSJZRDBZFOREPR-UZKOGDIHSA-N 1 3 338.495 3.874 20 0 EHADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(SC2CCCC2)cc1 ZINC000481030745 1040276063 /nfs/dbraw/zinc/27/60/63/1040276063.db2.gz BITAPKYYRNMTMK-AEFFLSMTSA-N 1 3 348.556 3.829 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CC4)[C@@H]3C2)cc1 ZINC000512648472 1040387159 /nfs/dbraw/zinc/38/71/59/1040387159.db2.gz NIUFBQVEQHBOCU-BDTNDASRSA-N 1 3 342.527 3.693 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000500087950 1040477757 /nfs/dbraw/zinc/47/77/57/1040477757.db2.gz HYYPCSLVLBHJOD-UHFFFAOYSA-N 1 3 349.538 3.842 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000500087950 1040477766 /nfs/dbraw/zinc/47/77/66/1040477766.db2.gz HYYPCSLVLBHJOD-UHFFFAOYSA-N 1 3 349.538 3.842 20 0 EHADHO c1ccc(-c2noc([C@@H]3CCCCN3CCC3CC[NH2+]CC3)n2)cc1 ZINC000479671714 1040499100 /nfs/dbraw/zinc/49/91/00/1040499100.db2.gz AYWMLIAPNALYEL-SFHVURJKSA-N 1 3 340.471 3.653 20 0 EHADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC000555510864 1040717782 /nfs/dbraw/zinc/71/77/82/1040717782.db2.gz FEQCKGPELOLXRD-RBUKOAKNSA-N 1 3 338.536 3.600 20 0 EHADHO COc1ccccc1CC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168377978 1041165581 /nfs/dbraw/zinc/16/55/81/1041165581.db2.gz IUOBWZMLLHOYAX-UHFFFAOYSA-N 1 3 342.527 3.824 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)C1 ZINC000513031055 1041400475 /nfs/dbraw/zinc/40/04/75/1041400475.db2.gz WFBGKAJVRSNJNH-HKUYMTLNSA-N 1 3 334.548 3.823 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(F)c(Cl)c1Cl ZINC000432254339 1042429890 /nfs/dbraw/zinc/42/98/90/1042429890.db2.gz SMDZOJSJTUCLSQ-GFCCVEGCSA-N 1 3 337.266 3.579 20 0 EHADHO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662150794 1042546251 /nfs/dbraw/zinc/54/62/51/1042546251.db2.gz BBZLSCOQUSOREG-UZLBHIALSA-N 1 3 330.516 3.576 20 0 EHADHO CC(C)N(C)CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000221917280 1042713435 /nfs/dbraw/zinc/71/34/35/1042713435.db2.gz WJRGVSRCWSZOKW-KRWDZBQOSA-N 1 3 339.321 3.626 20 0 EHADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000278864962 1042746213 /nfs/dbraw/zinc/74/62/13/1042746213.db2.gz WOPLCMMAZFVVLN-MYGLTJDJSA-N 1 3 342.527 3.838 20 0 EHADHO C[C@@H]1C[N@H+](CCCNCc2cccc(-c3ccccc3)c2)CCCO1 ZINC000432356022 1043017944 /nfs/dbraw/zinc/01/79/44/1043017944.db2.gz AXPQCMBMMMNOEV-LJQANCHMSA-N 1 3 338.495 3.944 20 0 EHADHO C[C@@H]1C[N@@H+](CCCNCc2cccc(-c3ccccc3)c2)CCCO1 ZINC000432356022 1043017947 /nfs/dbraw/zinc/01/79/47/1043017947.db2.gz AXPQCMBMMMNOEV-LJQANCHMSA-N 1 3 338.495 3.944 20 0 EHADHO C[C@H]1C[N@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418366 1043139772 /nfs/dbraw/zinc/13/97/72/1043139772.db2.gz RLLMAEFXGFZFKF-KXBFYZLASA-N 1 3 336.907 3.882 20 0 EHADHO C[C@H]1C[N@@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CC2)CCCO1 ZINC000432418366 1043139780 /nfs/dbraw/zinc/13/97/80/1043139780.db2.gz RLLMAEFXGFZFKF-KXBFYZLASA-N 1 3 336.907 3.882 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC[C@H]4CCCCO4)[C@H]3C2)cc1 ZINC000512297692 1044564248 /nfs/dbraw/zinc/56/42/48/1044564248.db2.gz ZXOPCKLLCMJFES-LRSLUSHPSA-N 1 3 342.527 3.836 20 0 EHADHO C[C@H](NC1(C[NH2+][C@H]2CCN(C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000153840661 1125666515 /nfs/dbraw/zinc/66/65/15/1125666515.db2.gz MFNGZYXXJAJMNY-HBFSDRIKSA-N 1 3 329.532 3.580 20 0 EHADHO Cc1cc2cc([C@H](C)[NH2+]CCCCN3CCN(C)CC3)oc2cc1C ZINC000154355866 1125714211 /nfs/dbraw/zinc/71/42/11/1125714211.db2.gz XDLQYKMEXIMMSA-SFHVURJKSA-N 1 3 343.515 3.728 20 0 EHADHO Cc1cc(Br)ccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623413299 1126947983 /nfs/dbraw/zinc/94/79/83/1126947983.db2.gz QVOWWFCBCNZSIB-HNNXBMFYSA-N 1 3 325.294 3.720 20 0 EHADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623422227 1126950846 /nfs/dbraw/zinc/95/08/46/1126950846.db2.gz NKQLVEBYPSDARB-XLIONFOSSA-N 1 3 329.532 3.674 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486693 1126965304 /nfs/dbraw/zinc/96/53/04/1126965304.db2.gz DCVOMNDATLJTNU-KBPBESRZSA-N 1 3 339.886 3.520 20 0 EHADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1(C)C ZINC000623486693 1126965306 /nfs/dbraw/zinc/96/53/06/1126965306.db2.gz DCVOMNDATLJTNU-KBPBESRZSA-N 1 3 339.886 3.520 20 0 EHADHO CN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1(C)C ZINC000623515961 1126973290 /nfs/dbraw/zinc/97/32/90/1126973290.db2.gz XUEJOPPDXARWIQ-PMACEKPBSA-N 1 3 343.559 3.750 20 0 EHADHO CCCC1CCC(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000180074366 1127117474 /nfs/dbraw/zinc/11/74/74/1127117474.db2.gz JMCFHEKZQUPOMH-CBNMVNINSA-N 1 3 335.580 3.695 20 0 EHADHO CCCC1CCC(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000180074366 1127117477 /nfs/dbraw/zinc/11/74/77/1127117477.db2.gz JMCFHEKZQUPOMH-CBNMVNINSA-N 1 3 335.580 3.695 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867262 1127206207 /nfs/dbraw/zinc/20/62/07/1127206207.db2.gz VVDRQAORBWECAE-NEPJUHHUSA-N 1 3 349.828 3.616 20 0 EHADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc(C)ccc1C ZINC000623926350 1127214934 /nfs/dbraw/zinc/21/49/34/1127214934.db2.gz DMWOJHZNEDDEGZ-FQEVSTJZSA-N 1 3 341.499 3.880 20 0 EHADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000624124110 1127256886 /nfs/dbraw/zinc/25/68/86/1127256886.db2.gz XJJYZESAFYQKRJ-XJKSGUPXSA-N 1 3 341.421 3.799 20 0 EHADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OCC ZINC000624119521 1127255699 /nfs/dbraw/zinc/25/56/99/1127255699.db2.gz DLRGODDVIUVZCN-IAGOWNOFSA-N 1 3 334.504 3.867 20 0 EHADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120754 1127255834 /nfs/dbraw/zinc/25/58/34/1127255834.db2.gz GHVUKKNWNWQQSH-HOCLYGCPSA-N 1 3 328.422 3.958 20 0 EHADHO C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368566026 1127416833 /nfs/dbraw/zinc/41/68/33/1127416833.db2.gz GPQNYCMGGOVJAU-SXLOBPIMSA-N 1 3 336.479 3.663 20 0 EHADHO C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185663787 1127429605 /nfs/dbraw/zinc/42/96/05/1127429605.db2.gz ISHAPCCFRARFIS-DLBZAZTESA-N 1 3 334.479 3.837 20 0 EHADHO CSC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000381781108 1127492845 /nfs/dbraw/zinc/49/28/45/1127492845.db2.gz ZOCSJOZIOFMOAN-GBESFXJTSA-N 1 3 330.541 3.772 20 0 EHADHO [NH3+]CC[C@H]1CN(c2cc(CN3CCCCC3)ccn2)c2ccccc21 ZINC001168543856 1127668007 /nfs/dbraw/zinc/66/80/07/1127668007.db2.gz FXIHJCBTRBBFCX-SFHVURJKSA-N 1 3 336.483 3.652 20 0 EHADHO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000386610221 1127705258 /nfs/dbraw/zinc/70/52/58/1127705258.db2.gz MMHRRIPVEQKYTO-VQIMIIECSA-N 1 3 342.458 3.835 20 0 EHADHO Cc1nc(CNCCCCCCC[NH+](C)C)sc1Br ZINC000921598886 1127761947 /nfs/dbraw/zinc/76/19/47/1127761947.db2.gz QADYOYCYFGRFRB-UHFFFAOYSA-N 1 3 348.354 3.816 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166416845 1128461653 /nfs/dbraw/zinc/46/16/53/1128461653.db2.gz ZFXVLSILPGPSSK-HZPDHXFCSA-N 1 3 334.454 3.993 20 0 EHADHO Fc1cccc(F)c1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166416845 1128461656 /nfs/dbraw/zinc/46/16/56/1128461656.db2.gz ZFXVLSILPGPSSK-HZPDHXFCSA-N 1 3 334.454 3.993 20 0 EHADHO CC(C)(C)OC1CC(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000450983269 1128887741 /nfs/dbraw/zinc/88/77/41/1128887741.db2.gz PKLAVBMPGFUPFM-AOMIVXANSA-N 1 3 342.527 3.931 20 0 EHADHO CC(C)(C)OC1CC(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000450983269 1128887744 /nfs/dbraw/zinc/88/77/44/1128887744.db2.gz PKLAVBMPGFUPFM-AOMIVXANSA-N 1 3 342.527 3.931 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC001648933544 1120238609 /nfs/dbraw/zinc/23/86/09/1120238609.db2.gz ZEORWCORDDTELE-UHFFFAOYSA-N 1 3 326.431 3.685 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000191565842 1120678612 /nfs/dbraw/zinc/67/86/12/1120678612.db2.gz YRUWHZOXKDEFSD-FQEVSTJZSA-N 1 3 349.538 3.919 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)c1ccccc1 ZINC000192791389 1120748673 /nfs/dbraw/zinc/74/86/73/1120748673.db2.gz GKRHFXSZRDTTBK-NRFANRHFSA-N 1 3 345.575 3.749 20 0 EHADHO Cc1ccc(CNCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000227327812 1120875566 /nfs/dbraw/zinc/87/55/66/1120875566.db2.gz ZPWHEQWUYPOARR-UHFFFAOYSA-N 1 3 325.294 3.579 20 0 EHADHO CCCCCCN(C)Cc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000762085399 1121099611 /nfs/dbraw/zinc/09/96/11/1121099611.db2.gz OUPIJYUUPWWSON-UHFFFAOYSA-N 1 3 348.466 3.949 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)o1 ZINC000397503466 1121760527 /nfs/dbraw/zinc/76/05/27/1121760527.db2.gz CAEFYXLCBVBBIY-KRWDZBQOSA-N 1 3 342.483 3.574 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398022647 1121960513 /nfs/dbraw/zinc/96/05/13/1121960513.db2.gz AUWCZZPQLCMDEH-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398022647 1121960521 /nfs/dbraw/zinc/96/05/21/1121960521.db2.gz AUWCZZPQLCMDEH-XMSQKQJNSA-N 1 3 338.495 3.833 20 0 EHADHO CN1CCC(O)(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497865486 1122683067 /nfs/dbraw/zinc/68/30/67/1122683067.db2.gz UOTJVMPOAZYUFX-SFHVURJKSA-N 1 3 330.472 3.566 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053813 1122795588 /nfs/dbraw/zinc/79/55/88/1122795588.db2.gz YJRHQILZBCIWCH-KFKAGJAMSA-N 1 3 338.451 3.901 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053813 1122795591 /nfs/dbraw/zinc/79/55/91/1122795591.db2.gz YJRHQILZBCIWCH-KFKAGJAMSA-N 1 3 338.451 3.901 20 0 EHADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868639 1123159184 /nfs/dbraw/zinc/15/91/84/1123159184.db2.gz URCMZBZAVUCUBA-XJKSGUPXSA-N 1 3 330.394 3.968 20 0 EHADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556868639 1123159185 /nfs/dbraw/zinc/15/91/85/1123159185.db2.gz URCMZBZAVUCUBA-XJKSGUPXSA-N 1 3 330.394 3.968 20 0 EHADHO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000132515517 1123240968 /nfs/dbraw/zinc/24/09/68/1123240968.db2.gz ULHXEKMPJYWJEL-MLGOLLRUSA-N 1 3 339.405 3.552 20 0 EHADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000379843519 1124562773 /nfs/dbraw/zinc/56/27/73/1124562773.db2.gz HKGBRLJONACEGG-QHAWAJNXSA-N 1 3 330.516 3.836 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061338 1124583959 /nfs/dbraw/zinc/58/39/59/1124583959.db2.gz OZWBNRMTVYGIFB-HOCLYGCPSA-N 1 3 344.421 3.790 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC000247061338 1124583967 /nfs/dbraw/zinc/58/39/67/1124583967.db2.gz OZWBNRMTVYGIFB-HOCLYGCPSA-N 1 3 344.421 3.790 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064488 1124585254 /nfs/dbraw/zinc/58/52/54/1124585254.db2.gz NZUGPZGTKVBAJK-XNFNUYLZSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064488 1124585256 /nfs/dbraw/zinc/58/52/56/1124585256.db2.gz NZUGPZGTKVBAJK-XNFNUYLZSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000247064488 1124585262 /nfs/dbraw/zinc/58/52/62/1124585262.db2.gz NZUGPZGTKVBAJK-XNFNUYLZSA-N 1 3 349.950 3.795 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287717 1124972638 /nfs/dbraw/zinc/97/26/38/1124972638.db2.gz QDSXJNHCMCRCHI-CXAGYDPISA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287717 1124972641 /nfs/dbraw/zinc/97/26/41/1124972641.db2.gz QDSXJNHCMCRCHI-CXAGYDPISA-N 1 3 337.305 3.832 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000091287717 1124972644 /nfs/dbraw/zinc/97/26/44/1124972644.db2.gz QDSXJNHCMCRCHI-CXAGYDPISA-N 1 3 337.305 3.832 20 0 EHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1F ZINC000092821159 1125163898 /nfs/dbraw/zinc/16/38/98/1125163898.db2.gz ASZCJWWFROKLEN-UHFFFAOYSA-N 1 3 327.447 3.959 20 0 EHADHO COC[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182618849 1125341163 /nfs/dbraw/zinc/34/11/63/1125341163.db2.gz LXVTZCARHVWWPH-IAGOWNOFSA-N 1 3 334.504 3.614 20 0 EHADHO CCn1c2ccccc2nc1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922511183 1129558105 /nfs/dbraw/zinc/55/81/05/1129558105.db2.gz XMCNXGZHFOFMPQ-UHFFFAOYSA-N 1 3 340.515 3.943 20 0 EHADHO CC1([NH+]2CCC2)CCC(NCc2ccc(Br)o2)CC1 ZINC000922848119 1129690756 /nfs/dbraw/zinc/69/07/56/1129690756.db2.gz NSURMVLBOKYXAR-UHFFFAOYSA-N 1 3 327.266 3.539 20 0 EHADHO CN1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009312 1129693840 /nfs/dbraw/zinc/69/38/40/1129693840.db2.gz OLYWKBJLXYXDMF-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000429009312 1129693842 /nfs/dbraw/zinc/69/38/42/1129693842.db2.gz OLYWKBJLXYXDMF-QFIPXVFZSA-N 1 3 336.479 3.793 20 0 EHADHO c1ccc(CN2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000674880055 1130214604 /nfs/dbraw/zinc/21/46/04/1130214604.db2.gz FQXUASXPPKFIDS-NRFANRHFSA-N 1 3 341.543 3.648 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCc3c2cccc3C)[C@H](C)C1 ZINC000675885287 1130502043 /nfs/dbraw/zinc/50/20/43/1130502043.db2.gz ONMYZAAVFMXRKJ-QMMLZNLJSA-N 1 3 330.516 3.709 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3c2cccc3C)[C@H](C)C1 ZINC000675885287 1130502047 /nfs/dbraw/zinc/50/20/47/1130502047.db2.gz ONMYZAAVFMXRKJ-QMMLZNLJSA-N 1 3 330.516 3.709 20 0 EHADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157114 1130593754 /nfs/dbraw/zinc/59/37/54/1130593754.db2.gz FNDABSWQBRPAMV-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000536157114 1130593759 /nfs/dbraw/zinc/59/37/59/1130593759.db2.gz FNDABSWQBRPAMV-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO CC1(C)[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000766188048 1130649826 /nfs/dbraw/zinc/64/98/26/1130649826.db2.gz PXKIMFAGOQMQLQ-AQNXPRMDSA-N 1 3 334.548 3.824 20 0 EHADHO Cc1cc(NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)nc(N)n1 ZINC000732049726 1130884391 /nfs/dbraw/zinc/88/43/91/1130884391.db2.gz BGZMZNYYXKWXOX-DOTOQJQBSA-N 1 3 327.476 3.545 20 0 EHADHO CC(C)COCC[C@@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172467253 1131754167 /nfs/dbraw/zinc/75/41/67/1131754167.db2.gz JYJYCSAHNYWVKG-QGZVFWFLSA-N 1 3 336.495 3.613 20 0 EHADHO Fc1cc2c(cc1F)CC(NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001173476653 1132073877 /nfs/dbraw/zinc/07/38/77/1132073877.db2.gz ZCGKKWSPALXWQW-UHFFFAOYSA-N 1 3 334.454 3.676 20 0 EHADHO Fc1cc2c(cc1F)CC([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001173476653 1132073885 /nfs/dbraw/zinc/07/38/85/1132073885.db2.gz ZCGKKWSPALXWQW-UHFFFAOYSA-N 1 3 334.454 3.676 20 0 EHADHO COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001173449490 1132079879 /nfs/dbraw/zinc/07/98/79/1132079879.db2.gz UYMNZNQHGOZCOG-QZTJIDSGSA-N 1 3 336.520 3.519 20 0 EHADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC001173738444 1132138979 /nfs/dbraw/zinc/13/89/79/1132138979.db2.gz SCIJKXOBPQYKAO-KRWDZBQOSA-N 1 3 346.515 3.601 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Br)c3)CC1)C2 ZINC001169108214 1132669494 /nfs/dbraw/zinc/66/94/94/1132669494.db2.gz PJWSDIPYRKJSKI-MUJYYYPQSA-N 1 3 335.289 3.653 20 0 EHADHO CN1CCC=C(Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)C1 ZINC001175579053 1132714099 /nfs/dbraw/zinc/71/40/99/1132714099.db2.gz SKSXAYORIFUEGH-FQEVSTJZSA-N 1 3 333.479 3.895 20 0 EHADHO CN1CCC=C(Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)C1 ZINC001175579053 1132714104 /nfs/dbraw/zinc/71/41/04/1132714104.db2.gz SKSXAYORIFUEGH-FQEVSTJZSA-N 1 3 333.479 3.895 20 0 EHADHO CCCC[NH+](CCCC)CCCN[C@@H]1CCCC2(C1)OCCO2 ZINC001169909717 1132896640 /nfs/dbraw/zinc/89/66/40/1132896640.db2.gz LWMPMKBQRKXXNN-GOSISDBHSA-N 1 3 326.525 3.554 20 0 EHADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)cc1F ZINC001206025583 1132902762 /nfs/dbraw/zinc/90/27/62/1132902762.db2.gz OFOWHWZXZVOIGU-CHWSQXEVSA-N 1 3 343.284 3.703 20 0 EHADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500830 1133145875 /nfs/dbraw/zinc/14/58/75/1133145875.db2.gz GAAVWBPPNQOXTN-DOTOQJQBSA-N 1 3 327.497 3.744 20 0 EHADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500830 1133145880 /nfs/dbraw/zinc/14/58/80/1133145880.db2.gz GAAVWBPPNQOXTN-DOTOQJQBSA-N 1 3 327.497 3.744 20 0 EHADHO COc1cccc2c1CCC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C2 ZINC001178464359 1133171572 /nfs/dbraw/zinc/17/15/72/1133171572.db2.gz XFTABJKEJIXYHW-HKUYNNGSSA-N 1 3 330.516 3.797 20 0 EHADHO Cc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(Br)cc1F ZINC001178916586 1133212011 /nfs/dbraw/zinc/21/20/11/1133212011.db2.gz ILQHOZZRDWEEDA-ZDUSSCGKSA-N 1 3 343.284 3.718 20 0 EHADHO Cc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC001178916586 1133212015 /nfs/dbraw/zinc/21/20/15/1133212015.db2.gz ILQHOZZRDWEEDA-ZDUSSCGKSA-N 1 3 343.284 3.718 20 0 EHADHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817220 1133286881 /nfs/dbraw/zinc/28/68/81/1133286881.db2.gz OYVPWMDTZXHODB-BMGDILEWSA-N 1 3 330.472 3.984 20 0 EHADHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817220 1133286884 /nfs/dbraw/zinc/28/68/84/1133286884.db2.gz OYVPWMDTZXHODB-BMGDILEWSA-N 1 3 330.472 3.984 20 0 EHADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)[C@@H]2C1 ZINC001179817220 1133286888 /nfs/dbraw/zinc/28/68/88/1133286888.db2.gz OYVPWMDTZXHODB-BMGDILEWSA-N 1 3 330.472 3.984 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC001180811902 1133419033 /nfs/dbraw/zinc/41/90/33/1133419033.db2.gz UJZKEBCBSGRXIM-MSOLQXFVSA-N 1 3 345.531 3.820 20 0 EHADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180811902 1133419036 /nfs/dbraw/zinc/41/90/36/1133419036.db2.gz UJZKEBCBSGRXIM-MSOLQXFVSA-N 1 3 345.531 3.820 20 0 EHADHO CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001181222073 1133471584 /nfs/dbraw/zinc/47/15/84/1133471584.db2.gz DNNHTBSDQOHMNU-BURNTYAHSA-N 1 3 344.543 3.816 20 0 EHADHO CC(C)(C)N1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC001181426723 1133485524 /nfs/dbraw/zinc/48/55/24/1133485524.db2.gz CHQVQPAWKCYGDC-UHFFFAOYSA-N 1 3 339.321 3.844 20 0 EHADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC3(COC3)C2)CCN(Cc2ccccc2)C1 ZINC001182998772 1133755974 /nfs/dbraw/zinc/75/59/74/1133755974.db2.gz CKXDBYYGFNCBHX-QFIPXVFZSA-N 1 3 342.527 3.647 20 0 EHADHO CC(C)(C)[C@@]1(C[N@H+]2CCC3(COC3)C2)CCN(Cc2ccccc2)C1 ZINC001182998772 1133755977 /nfs/dbraw/zinc/75/59/77/1133755977.db2.gz CKXDBYYGFNCBHX-QFIPXVFZSA-N 1 3 342.527 3.647 20 0 EHADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(c4ccccc4Br)C3)[C@H]2C1 ZINC001184387516 1133933981 /nfs/dbraw/zinc/93/39/81/1133933981.db2.gz LSZOGURFPGHQLJ-MNMKDFSBSA-N 1 3 349.316 3.625 20 0 EHADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cc2ccccc2[nH]1 ZINC000775621256 1135339255 /nfs/dbraw/zinc/33/92/55/1135339255.db2.gz IZLSSRHVZZMXHX-MRXNPFEDSA-N 1 3 337.467 3.959 20 0 EHADHO C[C@@H](c1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1)C(F)(F)F ZINC001196789424 1135610727 /nfs/dbraw/zinc/61/07/27/1135610727.db2.gz KXSLJEZTDJBHFD-XKQJLSEDSA-N 1 3 326.406 3.736 20 0 EHADHO C[C@@H](c1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1)C(F)(F)F ZINC001196789424 1135610732 /nfs/dbraw/zinc/61/07/32/1135610732.db2.gz KXSLJEZTDJBHFD-XKQJLSEDSA-N 1 3 326.406 3.736 20 0 EHADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC001199274990 1135889058 /nfs/dbraw/zinc/88/90/58/1135889058.db2.gz AVOQITYRYJKFBP-FGZHOGPDSA-N 1 3 343.559 3.738 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H](O)c1cccc(F)c1 ZINC001199851113 1135931915 /nfs/dbraw/zinc/93/19/15/1135931915.db2.gz MXUQRNOTRLQJLN-HXUWFJFHSA-N 1 3 344.474 3.607 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H](O)c1cccc(F)c1 ZINC001199851113 1135931917 /nfs/dbraw/zinc/93/19/17/1135931917.db2.gz MXUQRNOTRLQJLN-HXUWFJFHSA-N 1 3 344.474 3.607 20 0 EHADHO CN1CCN(c2cc(Nc3ccnc(-c4ccccc4)c3)cc[nH+]2)CC1 ZINC001201651342 1136051962 /nfs/dbraw/zinc/05/19/62/1136051962.db2.gz QYYHIMDXQSIARO-UHFFFAOYSA-N 1 3 345.450 3.639 20 0 EHADHO C[C@@H]1C[N@H+](CCCNCc2ccc(F)c3ccccc23)CCCO1 ZINC001201973297 1136080191 /nfs/dbraw/zinc/08/01/91/1136080191.db2.gz ZUKMWWOLJHIBMS-MRXNPFEDSA-N 1 3 330.447 3.569 20 0 EHADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(F)c3ccccc23)CCCO1 ZINC001201973297 1136080195 /nfs/dbraw/zinc/08/01/95/1136080195.db2.gz ZUKMWWOLJHIBMS-MRXNPFEDSA-N 1 3 330.447 3.569 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1CN1CCCCC1 ZINC000850480959 1136266838 /nfs/dbraw/zinc/26/68/38/1136266838.db2.gz DBEOIXPPHRDJPA-LPHOPBHVSA-N 1 3 346.515 3.899 20 0 EHADHO CC(C)=CCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605245 1136798529 /nfs/dbraw/zinc/79/85/29/1136798529.db2.gz ACSSJZBNMFLWOM-FQEVSTJZSA-N 1 3 331.504 3.731 20 0 EHADHO CC(C)=CCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605245 1136798531 /nfs/dbraw/zinc/79/85/31/1136798531.db2.gz ACSSJZBNMFLWOM-FQEVSTJZSA-N 1 3 331.504 3.731 20 0 EHADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000817889988 1136843338 /nfs/dbraw/zinc/84/33/38/1136843338.db2.gz RMTBDHNNALADQI-FCHUYYIVSA-N 1 3 335.495 3.954 20 0 EHADHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817905482 1136845347 /nfs/dbraw/zinc/84/53/47/1136845347.db2.gz NZKSWIHPDSOBGJ-CBFGRJNTSA-N 1 3 334.479 3.538 20 0 EHADHO Fc1cccc2c1C[C@@H]([NH+]1CCC(N3CCC(F)CC3)CC1)CC2 ZINC001170999801 1137082905 /nfs/dbraw/zinc/08/29/05/1137082905.db2.gz DGQNQXXIXUPTJF-SFHVURJKSA-N 1 3 334.454 3.581 20 0 EHADHO COc1ccccc1-c1nc(CN(C)C2CCC([NH3+])CC2)cs1 ZINC000844220675 1137203366 /nfs/dbraw/zinc/20/33/66/1137203366.db2.gz JJUBSILAQUKZGU-UHFFFAOYSA-N 1 3 331.485 3.520 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171412030 1137476126 /nfs/dbraw/zinc/47/61/26/1137476126.db2.gz REWVPMRPIGILMO-APWZRJJASA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171412030 1137476128 /nfs/dbraw/zinc/47/61/28/1137476128.db2.gz REWVPMRPIGILMO-APWZRJJASA-N 1 3 326.459 3.780 20 0 EHADHO CCN1CCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962451 1137519628 /nfs/dbraw/zinc/51/96/28/1137519628.db2.gz DBXNVPSSCMGYCN-PMACEKPBSA-N 1 3 329.532 3.504 20 0 EHADHO CC1(C)C[C@H](NCCc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC001171965642 1137520280 /nfs/dbraw/zinc/52/02/80/1137520280.db2.gz PVQVEQQJGUQUGK-QGZVFWFLSA-N 1 3 329.513 3.718 20 0 EHADHO CC1(C)C[C@H](NCCc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC001171965642 1137520281 /nfs/dbraw/zinc/52/02/81/1137520281.db2.gz PVQVEQQJGUQUGK-QGZVFWFLSA-N 1 3 329.513 3.718 20 0 EHADHO CC1(C)C[C@H]([NH+]2CCC3(COC3)CC2)CCN1Cc1ccccc1 ZINC001171976263 1137525408 /nfs/dbraw/zinc/52/54/08/1137525408.db2.gz JQNSBWCQSPUAOH-LJQANCHMSA-N 1 3 328.500 3.542 20 0 EHADHO CC1(C)C[C@@H](NCCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001171982682 1137526462 /nfs/dbraw/zinc/52/64/62/1137526462.db2.gz JRMDBHSEOILXNY-FQEVSTJZSA-N 1 3 338.495 3.968 20 0 EHADHO CC1(C)C[C@@H](NCCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC001171982682 1137526463 /nfs/dbraw/zinc/52/64/63/1137526463.db2.gz JRMDBHSEOILXNY-FQEVSTJZSA-N 1 3 338.495 3.968 20 0 EHADHO CO[C@@H](C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172086573 1137532154 /nfs/dbraw/zinc/53/21/54/1137532154.db2.gz HLOVXRBHJWXIDX-DVWBAYGPSA-N 1 3 328.500 3.539 20 0 EHADHO CO[C@@H](C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086573 1137532155 /nfs/dbraw/zinc/53/21/55/1137532155.db2.gz HLOVXRBHJWXIDX-DVWBAYGPSA-N 1 3 328.500 3.539 20 0 EHADHO C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172134060 1137536052 /nfs/dbraw/zinc/53/60/52/1137536052.db2.gz WQIOQXJVLZGNQX-DVWBAYGPSA-N 1 3 345.506 3.520 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1C(F)(F)F)C2 ZINC001172105046 1137536610 /nfs/dbraw/zinc/53/66/10/1137536610.db2.gz FKYBOBPYDCCPKW-QKDCVEJESA-N 1 3 330.369 3.949 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106495 1137537050 /nfs/dbraw/zinc/53/70/50/1137537050.db2.gz POKOHPIJGZBVLL-VQQMMKBISA-N 1 3 338.495 3.868 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CCO)c1cccc3ccccc31)C2 ZINC001172106495 1137537051 /nfs/dbraw/zinc/53/70/51/1137537051.db2.gz POKOHPIJGZBVLL-VQQMMKBISA-N 1 3 338.495 3.868 20 0 EHADHO CC[N@H+](Cc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227572 1137542472 /nfs/dbraw/zinc/54/24/72/1137542472.db2.gz BOCZQPOFJOXMDR-SEJPIABJSA-N 1 3 328.500 3.683 20 0 EHADHO CC[N@@H+](Cc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227572 1137542474 /nfs/dbraw/zinc/54/24/74/1137542474.db2.gz BOCZQPOFJOXMDR-SEJPIABJSA-N 1 3 328.500 3.683 20 0 EHADHO NC1(c2ccc(F)cc2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172196116 1137543177 /nfs/dbraw/zinc/54/31/77/1137543177.db2.gz FBNISVQVJQPEJE-SFHVURJKSA-N 1 3 342.483 3.793 20 0 EHADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872031458 1137566258 /nfs/dbraw/zinc/56/62/58/1137566258.db2.gz KLCFQORGFKTVMK-LEWJYISDSA-N 1 3 342.527 3.632 20 0 EHADHO Cc1cccc(-c2n[nH]cc2CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873222850 1137594379 /nfs/dbraw/zinc/59/43/79/1137594379.db2.gz CYKXQENLHNTHLO-HXUWFJFHSA-N 1 3 326.488 3.582 20 0 EHADHO CC(C)c1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247401 1137595326 /nfs/dbraw/zinc/59/53/26/1137595326.db2.gz MEDUAFHRIGACBA-INIZCTEOSA-N 1 3 349.482 3.700 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000873274593 1137596123 /nfs/dbraw/zinc/59/61/23/1137596123.db2.gz FBFJIAVPWZUQTM-IIBYNOLFSA-N 1 3 338.499 3.696 20 0 EHADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000876989769 1137667186 /nfs/dbraw/zinc/66/71/86/1137667186.db2.gz FGSPUFYHLCOGNI-MWTRTKDXSA-N 1 3 344.480 3.954 20 0 EHADHO Fc1ccc([C@H]([NH2+]CCCN2CCCCC2)C2CCOCC2)cc1 ZINC000883166770 1137846935 /nfs/dbraw/zinc/84/69/35/1137846935.db2.gz IKTRAXRVXUURNO-FQEVSTJZSA-N 1 3 334.479 3.759 20 0 EHADHO Fc1ccc([C@H](NCCC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000883166770 1137846936 /nfs/dbraw/zinc/84/69/36/1137846936.db2.gz IKTRAXRVXUURNO-FQEVSTJZSA-N 1 3 334.479 3.759 20 0 EHADHO c1ccc([C@@H]2CCC[C@H](CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000883430625 1137860454 /nfs/dbraw/zinc/86/04/54/1137860454.db2.gz YXLZSFSVWDFKBG-CGXNFDGLSA-N 1 3 328.500 3.761 20 0 EHADHO c1ccc([C@@H]2CCC[C@@H](CN3CCCC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000886876118 1138162934 /nfs/dbraw/zinc/16/29/34/1138162934.db2.gz JNBPNKMBHPWKLI-ACRUOGEOSA-N 1 3 328.500 3.762 20 0 EHADHO CN1CCC[C@H]1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000124700229 1138292723 /nfs/dbraw/zinc/29/27/23/1138292723.db2.gz UNNZLVWPIVSHRP-INIZCTEOSA-N 1 3 329.513 3.960 20 0 EHADHO C[C@H](N[C@H]1CCCc2occc21)c1cccc(OCC[NH+](C)C)c1 ZINC000152248396 1139081544 /nfs/dbraw/zinc/08/15/44/1139081544.db2.gz ZDYAZMHFRGIPSM-KXBFYZLASA-N 1 3 328.456 3.948 20 0 EHADHO Cc1nc(C)c([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000178173787 1139676252 /nfs/dbraw/zinc/67/62/52/1139676252.db2.gz DHJIXWKVWJEYNX-CYBMUJFWSA-N 1 3 333.501 3.551 20 0 EHADHO C[C@H](O)c1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178547861 1139703724 /nfs/dbraw/zinc/70/37/24/1139703724.db2.gz RVJULXUZKDHKNR-IRXDYDNUSA-N 1 3 342.483 3.531 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000181492523 1139910106 /nfs/dbraw/zinc/91/01/06/1139910106.db2.gz VTRKHSCBALBJID-OAHLLOKOSA-N 1 3 349.906 3.764 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182228365 1139959091 /nfs/dbraw/zinc/95/90/91/1139959091.db2.gz OLPDQBYWUNLKKQ-CRAIPNDOSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000182228365 1139959095 /nfs/dbraw/zinc/95/90/95/1139959095.db2.gz OLPDQBYWUNLKKQ-CRAIPNDOSA-N 1 3 330.497 3.556 20 0 EHADHO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191455940 1140465584 /nfs/dbraw/zinc/46/55/84/1140465584.db2.gz DILIPCUHPQUMCS-NRFANRHFSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191455940 1140465587 /nfs/dbraw/zinc/46/55/87/1140465587.db2.gz DILIPCUHPQUMCS-NRFANRHFSA-N 1 3 329.532 3.548 20 0 EHADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502642 1140468259 /nfs/dbraw/zinc/46/82/59/1140468259.db2.gz MRZFLONRXDAULW-LEWJYISDSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502642 1140468262 /nfs/dbraw/zinc/46/82/62/1140468262.db2.gz MRZFLONRXDAULW-LEWJYISDSA-N 1 3 343.559 3.589 20 0 EHADHO Oc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192801580 1140552090 /nfs/dbraw/zinc/55/20/90/1140552090.db2.gz VYHMMXKQRRVCGK-SEJPIABJSA-N 1 3 336.479 3.720 20 0 EHADHO Oc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192801580 1140552093 /nfs/dbraw/zinc/55/20/93/1140552093.db2.gz VYHMMXKQRRVCGK-SEJPIABJSA-N 1 3 336.479 3.720 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c1C ZINC000268995842 1141042135 /nfs/dbraw/zinc/04/21/35/1141042135.db2.gz KPCISRSCRNYTMK-MRXNPFEDSA-N 1 3 343.515 3.627 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000269009995 1141044740 /nfs/dbraw/zinc/04/47/40/1141044740.db2.gz NKCHOCMGAZRHRE-NQIIRXRSSA-N 1 3 341.543 3.646 20 0 EHADHO c1ccc(C2CC2)c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904475728 1032070114 /nfs/dbraw/zinc/07/01/14/1032070114.db2.gz QHZWNWCMANAQQX-IFMALSPDSA-N 1 3 334.463 3.910 20 0 EHADHO Cc1cc(Cl)ccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477650 1032073877 /nfs/dbraw/zinc/07/38/77/1032073877.db2.gz ZBPSBYFOGBMIPR-AZUAARDMSA-N 1 3 342.870 3.994 20 0 EHADHO Cc1nn(C)c(C)c1CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449066370 1032111397 /nfs/dbraw/zinc/11/13/97/1032111397.db2.gz BTZZUNPALDFXCV-UHFFFAOYSA-N 1 3 348.579 3.848 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000076443398 1016349825 /nfs/dbraw/zinc/34/98/25/1016349825.db2.gz AMWXBOVHVUHJCF-ICSRJNTNSA-N 1 3 338.495 3.910 20 0 EHADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000538125989 1032165420 /nfs/dbraw/zinc/16/54/20/1032165420.db2.gz RUECEVGSPFODLW-SFHVURJKSA-N 1 3 339.483 3.797 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657838858 1032180355 /nfs/dbraw/zinc/18/03/55/1032180355.db2.gz ZOOMGBKQGSWUSF-XLIONFOSSA-N 1 3 328.500 3.862 20 0 EHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657838858 1032180367 /nfs/dbraw/zinc/18/03/67/1032180367.db2.gz ZOOMGBKQGSWUSF-XLIONFOSSA-N 1 3 328.500 3.862 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccnc3c(Br)cccc23)CC[N@@H+]1C ZINC000449175139 1032268569 /nfs/dbraw/zinc/26/85/69/1032268569.db2.gz QJMVUOXFDOJVMF-TZMCWYRMSA-N 1 3 348.288 3.570 20 0 EHADHO C[C@@H]1C[C@H](NCc2ccnc3c(Br)cccc23)CC[N@H+]1C ZINC000449175139 1032268584 /nfs/dbraw/zinc/26/85/84/1032268584.db2.gz QJMVUOXFDOJVMF-TZMCWYRMSA-N 1 3 348.288 3.570 20 0 EHADHO CCOc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc(Cl)c1[O-] ZINC000459599856 1032317915 /nfs/dbraw/zinc/31/79/15/1032317915.db2.gz YQUDTOBYZDXCEY-UHFFFAOYSA-N 1 3 340.895 3.800 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC(C)(C)O2)CC1 ZINC000449261272 1032408420 /nfs/dbraw/zinc/40/84/20/1032408420.db2.gz ZLCYLXBRGRAELX-FXAWDEMLSA-N 1 3 330.516 3.629 20 0 EHADHO CCCOc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655760565 1017544850 /nfs/dbraw/zinc/54/48/50/1017544850.db2.gz UBMPFAJAAVYADK-OAQYLSRUSA-N 1 3 346.515 3.517 20 0 EHADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415110019 1017557741 /nfs/dbraw/zinc/55/77/41/1017557741.db2.gz PUKWKFYPXMCVLG-CJNGLKHVSA-N 1 3 326.406 3.857 20 0 EHADHO COc1ccc(C(C)C)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000655939749 1017967371 /nfs/dbraw/zinc/96/73/71/1017967371.db2.gz KOOISWSOBCYFFL-PZJWPPBQSA-N 1 3 346.515 3.537 20 0 EHADHO COc1cccc(C2(C[NH2+]C3CCN(C4CCCC4)CC3)CC2)c1 ZINC000580011316 1018068300 /nfs/dbraw/zinc/06/83/00/1018068300.db2.gz YXDXVNXVJBUQTD-UHFFFAOYSA-N 1 3 328.500 3.723 20 0 EHADHO COc1cccc(C2(CNC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000580011316 1018068312 /nfs/dbraw/zinc/06/83/12/1018068312.db2.gz YXDXVNXVJBUQTD-UHFFFAOYSA-N 1 3 328.500 3.723 20 0 EHADHO C[N@@H+]1CCCC[C@H]1CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249383 /nfs/dbraw/zinc/24/93/83/1018249383.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 1 3 349.950 3.722 20 0 EHADHO C[N@H+]1CCCC[C@H]1CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000472843564 1018249395 /nfs/dbraw/zinc/24/93/95/1018249395.db2.gz AFBIIYWLSXLDSA-FQEVSTJZSA-N 1 3 349.950 3.722 20 0 EHADHO COCc1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000513487460 1019746339 /nfs/dbraw/zinc/74/63/39/1019746339.db2.gz FDGASMVVTLDWPT-PKOBYXMFSA-N 1 3 342.483 3.816 20 0 EHADHO COCc1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000513487460 1019746353 /nfs/dbraw/zinc/74/63/53/1019746353.db2.gz FDGASMVVTLDWPT-PKOBYXMFSA-N 1 3 342.483 3.816 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414136937 1019858682 /nfs/dbraw/zinc/85/86/82/1019858682.db2.gz JHBXMBMTYNIHNZ-JYRKZWEQSA-N 1 3 342.527 3.549 20 0 EHADHO CCN(Cc1cccc2c[nH]nc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818763 1032910855 /nfs/dbraw/zinc/91/08/55/1032910855.db2.gz UJUHXZKMECBSBG-LJQANCHMSA-N 1 3 348.494 3.907 20 0 EHADHO CCN(Cc1cccc2c[nH]nc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818763 1032910863 /nfs/dbraw/zinc/91/08/63/1032910863.db2.gz UJUHXZKMECBSBG-LJQANCHMSA-N 1 3 348.494 3.907 20 0 EHADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)s1 ZINC000501011980 1020645185 /nfs/dbraw/zinc/64/51/85/1020645185.db2.gz URXPTBGZPOIOSZ-HNNXBMFYSA-N 1 3 343.968 3.858 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035650 1020672203 /nfs/dbraw/zinc/67/22/03/1020672203.db2.gz ILCZUXZTTIQHMI-YOEHRIQHSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000501035650 1020672210 /nfs/dbraw/zinc/67/22/10/1020672210.db2.gz ILCZUXZTTIQHMI-YOEHRIQHSA-N 1 3 339.321 3.920 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179219 1021046948 /nfs/dbraw/zinc/04/69/48/1021046948.db2.gz FXAXDJAJEGIAQZ-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179219 1021046952 /nfs/dbraw/zinc/04/69/52/1021046952.db2.gz FXAXDJAJEGIAQZ-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000341179219 1021046959 /nfs/dbraw/zinc/04/69/59/1021046959.db2.gz FXAXDJAJEGIAQZ-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCN(C)C1 ZINC001279502034 1021069190 /nfs/dbraw/zinc/06/91/90/1021069190.db2.gz MGFWESJTSNTTFK-XSDIEEQYSA-N 1 3 335.580 3.693 20 0 EHADHO CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001279502034 1021069199 /nfs/dbraw/zinc/06/91/99/1021069199.db2.gz MGFWESJTSNTTFK-XSDIEEQYSA-N 1 3 335.580 3.693 20 0 EHADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000581600308 1021136494 /nfs/dbraw/zinc/13/64/94/1021136494.db2.gz KCHPNGCLURJWEL-GDBMZVCRSA-N 1 3 328.422 3.956 20 0 EHADHO Cc1n[nH]c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000894851845 1021378977 /nfs/dbraw/zinc/37/89/77/1021378977.db2.gz OZRRIMRWJJMAJU-UHFFFAOYSA-N 1 3 338.499 3.515 20 0 EHADHO C[C@@H](C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CC1CCOCC1 ZINC000415005070 1021749130 /nfs/dbraw/zinc/74/91/30/1021749130.db2.gz OSMHZBGJBYUQMV-LKUPVBHCSA-N 1 3 348.506 3.561 20 0 EHADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000519381522 1022054042 /nfs/dbraw/zinc/05/40/42/1022054042.db2.gz SIPNKJRXJYABFO-IPELMVKDSA-N 1 3 335.923 3.584 20 0 EHADHO c1cc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)ccn1 ZINC001167996120 1022572140 /nfs/dbraw/zinc/57/21/40/1022572140.db2.gz WXGBGIADDSOZID-WCRBZPEASA-N 1 3 325.500 3.666 20 0 EHADHO c1cc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001167996120 1022572153 /nfs/dbraw/zinc/57/21/53/1022572153.db2.gz WXGBGIADDSOZID-WCRBZPEASA-N 1 3 325.500 3.666 20 0 EHADHO COc1ccc(F)c(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000550174124 1022647483 /nfs/dbraw/zinc/64/74/83/1022647483.db2.gz CAPJPHBIKIYSDD-LPHOPBHVSA-N 1 3 342.458 3.977 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414948180 1022975038 /nfs/dbraw/zinc/97/50/38/1022975038.db2.gz LSNPRYOWRPBPBX-XKQJLSEDSA-N 1 3 339.321 3.890 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000535813138 1023653407 /nfs/dbraw/zinc/65/34/07/1023653407.db2.gz HLIBNSHISQXVNF-UHFFFAOYSA-N 1 3 344.528 3.757 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000535813138 1023653413 /nfs/dbraw/zinc/65/34/13/1023653413.db2.gz HLIBNSHISQXVNF-UHFFFAOYSA-N 1 3 344.528 3.757 20 0 EHADHO CCN(CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002006 1023999953 /nfs/dbraw/zinc/99/99/53/1023999953.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO CCN(CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002006 1023999964 /nfs/dbraw/zinc/99/99/64/1023999964.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO CC[N@H+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168002006 1023999974 /nfs/dbraw/zinc/99/99/74/1023999974.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168002006 1023999981 /nfs/dbraw/zinc/99/99/81/1023999981.db2.gz BSWHVGRHFPYAFD-WCRBZPEASA-N 1 3 342.527 3.965 20 0 EHADHO CCc1nc(C)c(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)o1 ZINC000428313358 1024135501 /nfs/dbraw/zinc/13/55/01/1024135501.db2.gz WVODUGUYXVNBFK-UHFFFAOYSA-N 1 3 333.520 3.879 20 0 EHADHO CCc1nc(C)c(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)o1 ZINC000428313358 1024135511 /nfs/dbraw/zinc/13/55/11/1024135511.db2.gz WVODUGUYXVNBFK-UHFFFAOYSA-N 1 3 333.520 3.879 20 0 EHADHO Cc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000323988399 1024332970 /nfs/dbraw/zinc/33/29/70/1024332970.db2.gz KDPZXZIONWKOIJ-CALCHBBNSA-N 1 3 327.497 3.550 20 0 EHADHO C[C@@H]1CC(N2CC[C@H]3CCCO[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048197 1024360053 /nfs/dbraw/zinc/36/00/53/1024360053.db2.gz UMEBHYDLFZKOEE-RMEPHLEKSA-N 1 3 342.527 3.929 20 0 EHADHO Cc1ccc2[nH]c(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)cc2c1C ZINC000472034270 1024418655 /nfs/dbraw/zinc/41/86/55/1024418655.db2.gz CZSJYBNIAIYASZ-IAGOWNOFSA-N 1 3 343.515 3.764 20 0 EHADHO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000472035870 1024426046 /nfs/dbraw/zinc/42/60/46/1024426046.db2.gz BCLXOXVCDAUFGI-SJLPKXTDSA-N 1 3 342.458 3.922 20 0 EHADHO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc([O-])cc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000472035870 1024426050 /nfs/dbraw/zinc/42/60/50/1024426050.db2.gz BCLXOXVCDAUFGI-SJLPKXTDSA-N 1 3 342.458 3.922 20 0 EHADHO CCn1nc(CNCCCC[N@@H+]2CCC[C@H](C)C2)c2ccccc21 ZINC000472050371 1024486452 /nfs/dbraw/zinc/48/64/52/1024486452.db2.gz XXZSIODGLTZFSA-KRWDZBQOSA-N 1 3 328.504 3.658 20 0 EHADHO CCn1nc(CNCCCC[N@H+]2CCC[C@H](C)C2)c2ccccc21 ZINC000472050371 1024486460 /nfs/dbraw/zinc/48/64/60/1024486460.db2.gz XXZSIODGLTZFSA-KRWDZBQOSA-N 1 3 328.504 3.658 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)C[C@H](C)N1Cc1ccccc1 ZINC001168030366 1024578216 /nfs/dbraw/zinc/57/82/16/1024578216.db2.gz VJCPRAUHDTWKID-HGKCTWBKSA-N 1 3 327.447 3.752 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)CC3 ZINC000514693501 1024676407 /nfs/dbraw/zinc/67/64/07/1024676407.db2.gz OQNKFPKGRLMKHV-IRXDYDNUSA-N 1 3 325.500 3.654 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)CC3 ZINC000514693499 1024676973 /nfs/dbraw/zinc/67/69/73/1024676973.db2.gz OQNKFPKGRLMKHV-DLBZAZTESA-N 1 3 325.500 3.654 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cncn2C(C)C)CC1)CC1CC1 ZINC000425331724 1024769916 /nfs/dbraw/zinc/76/99/16/1024769916.db2.gz AWKFITXLHJGGQD-UHFFFAOYSA-N 1 3 332.536 3.798 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cncn2C(C)C)CC1)CC1CC1 ZINC000425331724 1024769929 /nfs/dbraw/zinc/76/99/29/1024769929.db2.gz AWKFITXLHJGGQD-UHFFFAOYSA-N 1 3 332.536 3.798 20 0 EHADHO Fc1ccc(CC2CCN([C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000469811081 1024782564 /nfs/dbraw/zinc/78/25/64/1024782564.db2.gz UEWIKTJXWAZUSD-MSOLQXFVSA-N 1 3 334.454 3.846 20 0 EHADHO Fc1ccc(CC2CCN([C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1F ZINC000469811081 1024782575 /nfs/dbraw/zinc/78/25/75/1024782575.db2.gz UEWIKTJXWAZUSD-MSOLQXFVSA-N 1 3 334.454 3.846 20 0 EHADHO C[C@H](CCc1n[nH]c2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251122 1024904455 /nfs/dbraw/zinc/90/44/55/1024904455.db2.gz HTFZSIZQCMLGAB-RADWXHQJSA-N 1 3 348.494 3.619 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H](CO)CC2CCCC2)CC1 ZINC000467432010 1024937388 /nfs/dbraw/zinc/93/73/88/1024937388.db2.gz HNZMKWAVDGXASF-QFUCXCTJSA-N 1 3 336.564 3.808 20 0 EHADHO Cc1ccc2cc(CNCc3cccc(OCC[NH+](C)C)c3)[nH]c2c1 ZINC000657316091 1025072492 /nfs/dbraw/zinc/07/24/92/1025072492.db2.gz XEGNFDNWBWZQRD-UHFFFAOYSA-N 1 3 337.467 3.707 20 0 EHADHO c1csc(CN2CCC[C@@H](C[NH2+]Cc3ccc4nc[nH]c4c3)C2)c1 ZINC000520965099 1025141883 /nfs/dbraw/zinc/14/18/83/1025141883.db2.gz YBCFKBQTJRZGDQ-INIZCTEOSA-N 1 3 340.496 3.626 20 0 EHADHO CCCCOc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1OC ZINC000347014248 1025409862 /nfs/dbraw/zinc/40/98/62/1025409862.db2.gz IJRDTGALJLMLJL-UHFFFAOYSA-N 1 3 334.504 3.696 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000474037402 1025428570 /nfs/dbraw/zinc/42/85/70/1025428570.db2.gz QOLGJFYTHRIFSZ-OAGGEKHMSA-N 1 3 332.479 3.679 20 0 EHADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000442766126 1025477464 /nfs/dbraw/zinc/47/74/64/1025477464.db2.gz WCHLXMNTYWBJMF-QAPCUYQASA-N 1 3 328.431 3.574 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000436246499 1025494645 /nfs/dbraw/zinc/49/46/45/1025494645.db2.gz ZBLSKEDRGAHACW-VURPSTOHSA-N 1 3 330.516 3.802 20 0 EHADHO CN1CCN(CC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1(C)C ZINC000442871696 1025546227 /nfs/dbraw/zinc/54/62/27/1025546227.db2.gz IMEATPHASSINHT-IBGZPJMESA-N 1 3 349.950 3.797 20 0 EHADHO CN1CCN(CC[NH2+][C@H](c2ccccc2)C2CCCC2)CC1(C)C ZINC000442875215 1025547492 /nfs/dbraw/zinc/54/74/92/1025547492.db2.gz NGWVKUSBHANFOM-HXUWFJFHSA-N 1 3 329.532 3.534 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1(C)C ZINC000442881614 1025562031 /nfs/dbraw/zinc/56/20/31/1025562031.db2.gz ZZMNDBIAZTWCKH-IBGZPJMESA-N 1 3 349.950 3.723 20 0 EHADHO CCCCN(C)C[C@H](C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000522030284 1025895453 /nfs/dbraw/zinc/89/54/53/1025895453.db2.gz GTBMCFFHDCRZAZ-SFHVURJKSA-N 1 3 349.538 3.543 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040115 1025908855 /nfs/dbraw/zinc/90/88/55/1025908855.db2.gz ZEKHWYYODXNVRU-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040115 1025908866 /nfs/dbraw/zinc/90/88/66/1025908866.db2.gz ZEKHWYYODXNVRU-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000522040115 1025908879 /nfs/dbraw/zinc/90/88/79/1025908879.db2.gz ZEKHWYYODXNVRU-KNQAVFIVSA-N 1 3 338.495 3.910 20 0 EHADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000324500291 1025923961 /nfs/dbraw/zinc/92/39/61/1025923961.db2.gz QVQCUSZMGBXPJZ-AEFFLSMTSA-N 1 3 334.504 3.867 20 0 EHADHO CC[N@H+](CCC1CCN([C@H](C)c2cnc(C)cn2)CC1)CC(C)C ZINC000428304797 1025931441 /nfs/dbraw/zinc/93/14/41/1025931441.db2.gz ZDEIEPOFMWOICK-GOSISDBHSA-N 1 3 332.536 3.926 20 0 EHADHO CC[N@@H+](CCC1CCN([C@H](C)c2cnc(C)cn2)CC1)CC(C)C ZINC000428304797 1025931446 /nfs/dbraw/zinc/93/14/46/1025931446.db2.gz ZDEIEPOFMWOICK-GOSISDBHSA-N 1 3 332.536 3.926 20 0 EHADHO C[C@@H]1C[C@@H](N(C)CCc2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055965 1026114420 /nfs/dbraw/zinc/11/44/20/1026114420.db2.gz ZGHXZGISNXQGES-HATOLVCRSA-N 1 3 337.511 3.998 20 0 EHADHO C[C@@H]1C[C@@H](N(C)CCc2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055965 1026114423 /nfs/dbraw/zinc/11/44/23/1026114423.db2.gz ZGHXZGISNXQGES-HATOLVCRSA-N 1 3 337.511 3.998 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000582456163 1026317186 /nfs/dbraw/zinc/31/71/86/1026317186.db2.gz DXSZNNCJXIBSJZ-TYPHKJRUSA-N 1 3 330.516 3.693 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N(CC)CC ZINC000531285334 1026757269 /nfs/dbraw/zinc/75/72/69/1026757269.db2.gz VTNCGDNBYBQQOI-HXUWFJFHSA-N 1 3 345.531 3.774 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000531391435 1026883106 /nfs/dbraw/zinc/88/31/06/1026883106.db2.gz BIHZHTZPOISNBQ-VQIMIIECSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531391435 1026883109 /nfs/dbraw/zinc/88/31/09/1026883109.db2.gz BIHZHTZPOISNBQ-VQIMIIECSA-N 1 3 334.467 3.563 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000582725532 1027073322 /nfs/dbraw/zinc/07/33/22/1027073322.db2.gz OMGUBGMPDXJKCH-HUUCEWRRSA-N 1 3 340.496 3.816 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000420304193 1027453616 /nfs/dbraw/zinc/45/36/16/1027453616.db2.gz LFEXQVWHTFMCGD-PXNSSMCTSA-N 1 3 328.431 3.714 20 0 EHADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326689 1027479381 /nfs/dbraw/zinc/47/93/81/1027479381.db2.gz KHXFIBKOCBDUFM-NXHRZFHOSA-N 1 3 325.456 3.724 20 0 EHADHO Brc1ccc([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)s1 ZINC000420363175 1027490621 /nfs/dbraw/zinc/49/06/21/1027490621.db2.gz BIJJTTTUQCKLHB-NEPJUHHUSA-N 1 3 329.307 3.647 20 0 EHADHO Nc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382877 1027505071 /nfs/dbraw/zinc/50/50/71/1027505071.db2.gz YWMWUZMHRIONBB-UNMCSNQZSA-N 1 3 335.495 3.755 20 0 EHADHO Nc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000420382877 1027505085 /nfs/dbraw/zinc/50/50/85/1027505085.db2.gz YWMWUZMHRIONBB-UNMCSNQZSA-N 1 3 335.495 3.755 20 0 EHADHO c1ccc([C@@H]2C[C@H]2C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613269 1027632466 /nfs/dbraw/zinc/63/24/66/1027632466.db2.gz KAVRIRJDUXVPNK-VXKWHMMOSA-N 1 3 335.495 3.687 20 0 EHADHO COc1cccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422719190 1027887810 /nfs/dbraw/zinc/88/78/10/1027887810.db2.gz XVOSVLUSTALMMP-DLVCFXQMSA-N 1 3 338.451 3.602 20 0 EHADHO CCOc1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1OCC ZINC000422758519 1027899435 /nfs/dbraw/zinc/89/94/35/1027899435.db2.gz KIVLPAQOHVMJEO-OALUTQOASA-N 1 3 340.467 3.761 20 0 EHADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422739647 1027903010 /nfs/dbraw/zinc/90/30/10/1027903010.db2.gz ALXNVHFUNCDWJV-CZUORRHYSA-N 1 3 337.305 3.588 20 0 EHADHO COc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422778691 1027933888 /nfs/dbraw/zinc/93/38/88/1027933888.db2.gz HYYDVZJPWRVGFN-DLVCFXQMSA-N 1 3 338.451 3.602 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839553 1027981687 /nfs/dbraw/zinc/98/16/87/1027981687.db2.gz QNNVIMFHEBFJIQ-IUCAKERBSA-N 1 3 325.667 3.741 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(OC(F)(F)F)cc1 ZINC000422788521 1027963804 /nfs/dbraw/zinc/96/38/04/1027963804.db2.gz AVTSDIJEACUTJX-NSHDSACASA-N 1 3 339.361 3.598 20 0 EHADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422829036 1027970514 /nfs/dbraw/zinc/97/05/14/1027970514.db2.gz UJJXABGUTYCVQS-CVEARBPZSA-N 1 3 330.394 3.515 20 0 EHADHO C[C@H](C[C@H](C)[NH3+])NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839552 1027979984 /nfs/dbraw/zinc/97/99/84/1027979984.db2.gz QNNVIMFHEBFJIQ-DTWKUNHWSA-N 1 3 325.667 3.741 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000422900558 1028037405 /nfs/dbraw/zinc/03/74/05/1028037405.db2.gz JOUDQKBGRSWKOR-RRMPHLOHSA-N 1 3 339.483 3.667 20 0 EHADHO COc1ccc(C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c2ccccc2)cc1OC ZINC000422913126 1028047098 /nfs/dbraw/zinc/04/70/98/1028047098.db2.gz XVXHKARWXNWOTB-GJYPPUQNSA-N 1 3 342.483 3.703 20 0 EHADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1nc(-c2ccncc2)cs1 ZINC000422912405 1028047229 /nfs/dbraw/zinc/04/72/29/1028047229.db2.gz NBLOPLFTQWWTMP-DOTOQJQBSA-N 1 3 344.528 3.648 20 0 EHADHO CC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1cccc(C)c1 ZINC000422918406 1028073629 /nfs/dbraw/zinc/07/36/29/1028073629.db2.gz HKHMORYDBWLTMG-MAUKXSAKSA-N 1 3 327.472 3.665 20 0 EHADHO FC(F)(F)c1ccccc1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422955380 1028095867 /nfs/dbraw/zinc/09/58/67/1028095867.db2.gz JDGDSRXWSRUFSP-IMJJTQAJSA-N 1 3 342.405 3.595 20 0 EHADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000120671864 1028098332 /nfs/dbraw/zinc/09/83/32/1028098332.db2.gz JAOPGNGBGYBXKI-HNNXBMFYSA-N 1 3 345.512 3.715 20 0 EHADHO CC(C)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])Nc1ccccc1 ZINC000422975888 1028105076 /nfs/dbraw/zinc/10/50/76/1028105076.db2.gz HQOFPVRMMPSHNK-UIFIKXQLSA-N 1 3 325.500 3.671 20 0 EHADHO COc1ccc([C@H](N[C@@H](C)CCCC[NH3+])c2ccccc2OC)cc1 ZINC000423006317 1028118591 /nfs/dbraw/zinc/11/85/91/1028118591.db2.gz VCYBSZVZYKUPSB-KKSFZXQISA-N 1 3 342.483 3.900 20 0 EHADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)CC3 ZINC000423040171 1028146430 /nfs/dbraw/zinc/14/64/30/1028146430.db2.gz GTFCJJFSCBKKOV-GOEBONIOSA-N 1 3 348.494 3.847 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1N(C)C(C)C ZINC000423054969 1028151047 /nfs/dbraw/zinc/15/10/47/1028151047.db2.gz CKHRXVDCAHJFEC-OAHLLOKOSA-N 1 3 326.488 3.544 20 0 EHADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102406 1028182252 /nfs/dbraw/zinc/18/22/52/1028182252.db2.gz KFIDCPGHVUNSCY-NWDGAFQWSA-N 1 3 343.334 3.649 20 0 EHADHO C[C@H](N[C@H]1c2cc(Br)ccc2CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000423125113 1028193799 /nfs/dbraw/zinc/19/37/99/1028193799.db2.gz HRDAWSRWCXIJPK-GHJWDPDVSA-N 1 3 337.305 3.660 20 0 EHADHO C[C@H](N[C@H]1C[C@@H](C)c2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC000423214920 1028281741 /nfs/dbraw/zinc/28/17/41/1028281741.db2.gz MAAJPIOUYBOIMC-IATRGZMQSA-N 1 3 337.305 3.975 20 0 EHADHO Brc1ccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2ccco2)cc1 ZINC000423252809 1028311243 /nfs/dbraw/zinc/31/12/43/1028311243.db2.gz UUUPIAMVVGANPJ-CXAGYDPISA-N 1 3 349.272 3.721 20 0 EHADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423284767 1028324501 /nfs/dbraw/zinc/32/45/01/1028324501.db2.gz YIZSQWYOSPEHNA-HUUCEWRRSA-N 1 3 333.476 3.900 20 0 EHADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423272592 1028335332 /nfs/dbraw/zinc/33/53/32/1028335332.db2.gz JWFRVDMFXGTHKD-LSDHHAIUSA-N 1 3 333.476 3.900 20 0 EHADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(N)CCC1 ZINC000423317163 1028347305 /nfs/dbraw/zinc/34/73/05/1028347305.db2.gz CLKYXUGXHGEYHM-IINYFYTJSA-N 1 3 341.318 3.703 20 0 EHADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423294515 1028351568 /nfs/dbraw/zinc/35/15/68/1028351568.db2.gz UPCWRPWPHKPALT-KUHUBIRLSA-N 1 3 326.440 3.718 20 0 EHADHO COc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1NC(C)=O ZINC000423296398 1028353809 /nfs/dbraw/zinc/35/38/09/1028353809.db2.gz ZBUNAMFIVKEHOF-KBPBESRZSA-N 1 3 341.455 3.524 20 0 EHADHO CCN(CC)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccsc1 ZINC000423342462 1028375059 /nfs/dbraw/zinc/37/50/59/1028375059.db2.gz YSIDYYVWSRLULY-KDOFPFPSSA-N 1 3 345.512 3.581 20 0 EHADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)cc1 ZINC000423354473 1028383986 /nfs/dbraw/zinc/38/39/86/1028383986.db2.gz GERHCMNPULRPJE-LBPRGKRZSA-N 1 3 331.257 3.903 20 0 EHADHO COC[C@@]1(C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)CCCN1 ZINC000423421188 1028415596 /nfs/dbraw/zinc/41/55/96/1028415596.db2.gz JXCMSGCIRFEELF-AVRDEDQJSA-N 1 3 338.495 3.565 20 0 EHADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423425241 1028418437 /nfs/dbraw/zinc/41/84/37/1028418437.db2.gz DGHQDYBIYOWJFE-XOKHGSTOSA-N 1 3 327.497 3.849 20 0 EHADHO COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1OC1CC1 ZINC000628184547 1028434355 /nfs/dbraw/zinc/43/43/55/1028434355.db2.gz PRIHFIBUWKWKKV-UHFFFAOYSA-N 1 3 346.515 3.790 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCC(C)CC2)c(C)c1OC ZINC000513755161 1028684629 /nfs/dbraw/zinc/68/46/29/1028684629.db2.gz QFBLEYALIUSPQD-KRWDZBQOSA-N 1 3 348.531 3.655 20 0 EHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247183002 1028755767 /nfs/dbraw/zinc/75/57/67/1028755767.db2.gz ZICAKGABUHSWNN-FVJLSDCUSA-N 1 3 346.515 3.552 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000248458413 1028913090 /nfs/dbraw/zinc/91/30/90/1028913090.db2.gz UQPSQHKFVVKNMW-KXBFYZLASA-N 1 3 330.497 3.556 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000248458413 1028913104 /nfs/dbraw/zinc/91/31/04/1028913104.db2.gz UQPSQHKFVVKNMW-KXBFYZLASA-N 1 3 330.497 3.556 20 0 EHADHO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245637061 1028953478 /nfs/dbraw/zinc/95/34/78/1028953478.db2.gz AAEBSVMFULMGRK-XLNTUCKNSA-N 1 3 338.499 3.575 20 0 EHADHO COc1ccc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)c(Cl)c1 ZINC000424344721 1029022709 /nfs/dbraw/zinc/02/27/09/1029022709.db2.gz HCXSQFOXYJBBMV-CYBMUJFWSA-N 1 3 342.936 3.827 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1cccc(Br)c1 ZINC000414800466 1029159218 /nfs/dbraw/zinc/15/92/18/1029159218.db2.gz KVFARGHUZQEPCX-XPKDYRNWSA-N 1 3 325.294 3.660 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2cc(Br)cs2)cc1 ZINC000414811221 1029305117 /nfs/dbraw/zinc/30/51/17/1029305117.db2.gz PGWQYPYQYMOKAL-SNVBAGLBSA-N 1 3 325.275 3.820 20 0 EHADHO COc1ccsc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272139505 1029328607 /nfs/dbraw/zinc/32/86/07/1029328607.db2.gz AZOLMPYKHIAEFE-WBVHZDCISA-N 1 3 330.497 3.757 20 0 EHADHO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272479739 1029476908 /nfs/dbraw/zinc/47/69/08/1029476908.db2.gz MCKGEHPOJZNKSI-CZTZKLFOSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272479739 1029476914 /nfs/dbraw/zinc/47/69/14/1029476914.db2.gz MCKGEHPOJZNKSI-CZTZKLFOSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccccc1[C@H](O)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272479739 1029476916 /nfs/dbraw/zinc/47/69/16/1029476916.db2.gz MCKGEHPOJZNKSI-CZTZKLFOSA-N 1 3 338.495 3.529 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000193159914 1029533998 /nfs/dbraw/zinc/53/39/98/1029533998.db2.gz DORBKGKDQAEBJE-SJKOYZFVSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159914 1029534001 /nfs/dbraw/zinc/53/40/01/1029534001.db2.gz DORBKGKDQAEBJE-SJKOYZFVSA-N 1 3 335.289 3.510 20 0 EHADHO CN(CCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000524971487 1029640925 /nfs/dbraw/zinc/64/09/25/1029640925.db2.gz OGHGBZJJVGMBMR-OAHLLOKOSA-N 1 3 344.421 3.748 20 0 EHADHO CN(CCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000524971487 1029640928 /nfs/dbraw/zinc/64/09/28/1029640928.db2.gz OGHGBZJJVGMBMR-OAHLLOKOSA-N 1 3 344.421 3.748 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000583527240 1030037766 /nfs/dbraw/zinc/03/77/66/1030037766.db2.gz SKHUMHHKYFZKGT-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Br ZINC000583527240 1030037785 /nfs/dbraw/zinc/03/77/85/1030037785.db2.gz SKHUMHHKYFZKGT-BBRMVZONSA-N 1 3 325.294 3.530 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000531960586 1030143564 /nfs/dbraw/zinc/14/35/64/1030143564.db2.gz GVABVUFHQMJBKT-OAQYLSRUSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000092139705 1030389291 /nfs/dbraw/zinc/38/92/91/1030389291.db2.gz YBFRATSNZANDHJ-KSZLIROESA-N 1 3 343.515 3.525 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC001168091865 1030421872 /nfs/dbraw/zinc/42/18/72/1030421872.db2.gz BZFTTWPAOOYEQN-MAUKXSAKSA-N 1 3 336.907 3.709 20 0 EHADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000447854911 1030544327 /nfs/dbraw/zinc/54/43/27/1030544327.db2.gz OOOMJTYSTLZVTB-QGZVFWFLSA-N 1 3 326.488 3.821 20 0 EHADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000447854911 1030544335 /nfs/dbraw/zinc/54/43/35/1030544335.db2.gz OOOMJTYSTLZVTB-QGZVFWFLSA-N 1 3 326.488 3.821 20 0 EHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447854313 1030545242 /nfs/dbraw/zinc/54/52/42/1030545242.db2.gz KXZJKAMZCCXMCA-ROUUACIJSA-N 1 3 340.515 3.924 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000278398469 1030612263 /nfs/dbraw/zinc/61/22/63/1030612263.db2.gz GISHMDZYDCBAHI-COPCDDAFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000278398469 1030612269 /nfs/dbraw/zinc/61/22/69/1030612269.db2.gz GISHMDZYDCBAHI-COPCDDAFSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc(OCC[NH+](C)C)c1 ZINC000130359285 1030726626 /nfs/dbraw/zinc/72/66/26/1030726626.db2.gz KGXBXANHQLDUHP-MGPUTAFESA-N 1 3 340.467 3.671 20 0 EHADHO C[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)c1nc(-c2ccccc2)no1 ZINC000583865826 1030996883 /nfs/dbraw/zinc/99/68/83/1030996883.db2.gz FNEGLYRROWDICU-XWIAVFTESA-N 1 3 334.423 3.575 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3cc[nH]c3c2)cc1 ZINC000527654144 1031114842 /nfs/dbraw/zinc/11/48/42/1031114842.db2.gz RGCUUCNIILKQKO-UHFFFAOYSA-N 1 3 337.467 3.788 20 0 EHADHO C[C@H]1C[C@@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC001168100040 1031328340 /nfs/dbraw/zinc/32/83/40/1031328340.db2.gz FPJSMAIGZRVKGN-BBRMVZONSA-N 1 3 342.405 3.523 20 0 EHADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000484310089 1031530806 /nfs/dbraw/zinc/53/08/06/1031530806.db2.gz PDBBVWZHAGZMKG-AEFFLSMTSA-N 1 3 330.472 3.954 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527967282 1031536980 /nfs/dbraw/zinc/53/69/80/1031536980.db2.gz XOJHWHBKGQDRBB-YLJYHZDGSA-N 1 3 348.494 3.574 20 0 EHADHO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000584113020 1031758409 /nfs/dbraw/zinc/75/84/09/1031758409.db2.gz WSOBVWJDDYBFAA-FQEVSTJZSA-N 1 3 336.479 3.982 20 0 EHADHO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000584113020 1031758425 /nfs/dbraw/zinc/75/84/25/1031758425.db2.gz WSOBVWJDDYBFAA-FQEVSTJZSA-N 1 3 336.479 3.982 20 0 EHADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000195138304 1032050038 /nfs/dbraw/zinc/05/00/38/1032050038.db2.gz NZQICJLRRKOLQI-PGRDOPGGSA-N 1 3 336.479 3.794 20 0 EHADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195138304 1032050053 /nfs/dbraw/zinc/05/00/53/1032050053.db2.gz NZQICJLRRKOLQI-PGRDOPGGSA-N 1 3 336.479 3.794 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000685470820 1033372897 /nfs/dbraw/zinc/37/28/97/1033372897.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470820 1033372910 /nfs/dbraw/zinc/37/29/10/1033372910.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000685470820 1033372929 /nfs/dbraw/zinc/37/29/29/1033372929.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 1 3 326.406 3.930 20 0 EHADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000685470820 1033372948 /nfs/dbraw/zinc/37/29/48/1033372948.db2.gz UMMDUOKUQRHVOT-NVXWUHKLSA-N 1 3 326.406 3.930 20 0 EHADHO CC(C)OC(=O)C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000594624500 1033465739 /nfs/dbraw/zinc/46/57/39/1033465739.db2.gz RLMIQUGDLWBAAY-IBGZPJMESA-N 1 3 338.536 3.739 20 0 EHADHO CC(C)OC(=O)C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000594624500 1033465751 /nfs/dbraw/zinc/46/57/51/1033465751.db2.gz RLMIQUGDLWBAAY-IBGZPJMESA-N 1 3 338.536 3.739 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cnn(C)c2C2CC2)CC1)CC1CC1 ZINC000892404107 1033530477 /nfs/dbraw/zinc/53/04/77/1033530477.db2.gz XXYJGWHESPOCFE-UHFFFAOYSA-N 1 3 344.547 3.632 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cnn(C)c2C2CC2)CC1)CC1CC1 ZINC000892404107 1033530484 /nfs/dbraw/zinc/53/04/84/1033530484.db2.gz XXYJGWHESPOCFE-UHFFFAOYSA-N 1 3 344.547 3.632 20 0 EHADHO C[NH+](C)C1CCC(NCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001168298773 1033590770 /nfs/dbraw/zinc/59/07/70/1033590770.db2.gz BXVSTOJBVQCOQR-UHFFFAOYSA-N 1 3 329.271 3.639 20 0 EHADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658123947 1033982809 /nfs/dbraw/zinc/98/28/09/1033982809.db2.gz OCXHREUWUOIGKT-YTFSRNRJSA-N 1 3 349.522 3.823 20 0 EHADHO COc1cccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658164890 1034029512 /nfs/dbraw/zinc/02/95/12/1034029512.db2.gz APZBEMMFLSRGJN-QGZVFWFLSA-N 1 3 339.483 3.653 20 0 EHADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168847 1034034559 /nfs/dbraw/zinc/03/45/59/1034034559.db2.gz ZQPITRZJDSJBFU-VGOFRKELSA-N 1 3 335.495 3.817 20 0 EHADHO C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000658240878 1034111743 /nfs/dbraw/zinc/11/17/43/1034111743.db2.gz SMYORTQEJIQNNN-VFNWGFHPSA-N 1 3 340.467 3.671 20 0 EHADHO C[NH+](C)C1CCC(N2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001168328175 1034182248 /nfs/dbraw/zinc/18/22/48/1034182248.db2.gz YRFOTBSYIHZSJO-ACBHZAAOSA-N 1 3 336.907 3.760 20 0 EHADHO CC(C)Oc1ccc2nccc(N3CCC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000450485184 1034413162 /nfs/dbraw/zinc/41/31/62/1034413162.db2.gz IRMNZVBGESIRRO-MRXNPFEDSA-N 1 3 327.472 3.943 20 0 EHADHO CSC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000597229890 1034610599 /nfs/dbraw/zinc/61/05/99/1034610599.db2.gz KRLFMPXXGFAAEV-SFHVURJKSA-N 1 3 330.541 3.774 20 0 EHADHO Cc1cccc(CCCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000375850686 1034720558 /nfs/dbraw/zinc/72/05/58/1034720558.db2.gz JRMFMAUJKZCNSC-DYESRHJHSA-N 1 3 329.532 3.955 20 0 EHADHO Cc1nc(F)ccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278794059 1034850895 /nfs/dbraw/zinc/85/08/95/1034850895.db2.gz QTXGVNMCAREQDO-KXBFYZLASA-N 1 3 327.447 3.529 20 0 EHADHO c1nc2ccccc2n1-c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000588259144 1035867635 /nfs/dbraw/zinc/86/76/35/1035867635.db2.gz OBUBDSSTONDDTG-UHFFFAOYSA-N 1 3 348.494 3.991 20 0 EHADHO Fc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000189076541 1036012481 /nfs/dbraw/zinc/01/24/81/1036012481.db2.gz AYKKLBBFOGZNJP-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO CCC[NH+]1CCC(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000153378315 1036140896 /nfs/dbraw/zinc/14/08/96/1036140896.db2.gz DSWWNERHZVZNKF-FQEVSTJZSA-N 1 3 349.950 3.941 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)[C@@H](C)C1 ZINC000414233045 1036194825 /nfs/dbraw/zinc/19/48/25/1036194825.db2.gz QWHHMAZTERQJMN-FXAWDEMLSA-N 1 3 347.547 3.606 20 0 EHADHO Cc1ccc(O[C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168388125 1036317663 /nfs/dbraw/zinc/31/76/63/1036317663.db2.gz AUTOVLLTRLSOIH-OAQYLSRUSA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccc(O[C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168388125 1036317679 /nfs/dbraw/zinc/31/76/79/1036317679.db2.gz AUTOVLLTRLSOIH-OAQYLSRUSA-N 1 3 328.500 3.713 20 0 EHADHO CC1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782757370 1036365777 /nfs/dbraw/zinc/36/57/77/1036365777.db2.gz PBRYPLHPJXWZJE-NRFANRHFSA-N 1 3 330.516 3.866 20 0 EHADHO CC1CC[NH+](CCCN[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782757370 1036365795 /nfs/dbraw/zinc/36/57/95/1036365795.db2.gz PBRYPLHPJXWZJE-NRFANRHFSA-N 1 3 330.516 3.866 20 0 EHADHO FC(F)(F)c1cccc(OCCCCN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462395845 1036922638 /nfs/dbraw/zinc/92/26/38/1036922638.db2.gz WDWVBSBXEBWTBM-QGZVFWFLSA-N 1 3 342.405 3.550 20 0 EHADHO CCCn1c2ccccc2nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543862 1037097366 /nfs/dbraw/zinc/09/73/66/1037097366.db2.gz SZGWMNDIRWOSTA-QZTJIDSGSA-N 1 3 340.515 3.658 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461388 1037349692 /nfs/dbraw/zinc/34/96/92/1037349692.db2.gz MTQNVQQRCQVSBN-YKCBXCCJSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461388 1037349713 /nfs/dbraw/zinc/34/97/13/1037349713.db2.gz MTQNVQQRCQVSBN-YKCBXCCJSA-N 1 3 349.950 3.795 20 0 EHADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461388 1037349725 /nfs/dbraw/zinc/34/97/25/1037349725.db2.gz MTQNVQQRCQVSBN-YKCBXCCJSA-N 1 3 349.950 3.795 20 0 EHADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1sccc1Br ZINC000532520823 1037559366 /nfs/dbraw/zinc/55/93/66/1037559366.db2.gz SJKRVVZQKODLCC-NWDGAFQWSA-N 1 3 349.338 3.518 20 0 EHADHO Cc1ccc(C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000540172825 1037642544 /nfs/dbraw/zinc/64/25/44/1037642544.db2.gz XOEKSLONDMHJSC-XQBPLPMBSA-N 1 3 344.543 3.795 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000493917579 1037710238 /nfs/dbraw/zinc/71/02/38/1037710238.db2.gz SGQGFGASVMHZAK-DAXOMENPSA-N 1 3 337.305 3.817 20 0 EHADHO Cc1cc(Br)cc2c1[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000493917579 1037710253 /nfs/dbraw/zinc/71/02/53/1037710253.db2.gz SGQGFGASVMHZAK-DAXOMENPSA-N 1 3 337.305 3.817 20 0 EHADHO Cc1cc(Br)cc2c1[C@@H](N[C@H](C)CC[NH+](C)C)CC2 ZINC000493896096 1037716340 /nfs/dbraw/zinc/71/63/40/1037716340.db2.gz CURCJZPHIFMNPB-DOMZBBRYSA-N 1 3 325.294 3.675 20 0 EHADHO CCOc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OC(F)F ZINC000163875215 1037893376 /nfs/dbraw/zinc/89/33/76/1037893376.db2.gz SPVBVVACDJLWIO-KCQAQPDRSA-N 1 3 342.430 3.505 20 0 EHADHO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000689869379 1038596865 /nfs/dbraw/zinc/59/68/65/1038596865.db2.gz MJJSCFOLXWXTCD-HMXCVIKNSA-N 1 3 330.516 3.693 20 0 EHADHO C[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)Cc1ccccc1 ZINC000668513887 1039246997 /nfs/dbraw/zinc/24/69/97/1039246997.db2.gz YYRDSNLUCISCJQ-LJQANCHMSA-N 1 3 337.511 3.762 20 0 EHADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CS1 ZINC000668513828 1039249371 /nfs/dbraw/zinc/24/93/71/1039249371.db2.gz XWNOTKOJTJTQKD-RTBURBONSA-N 1 3 347.572 3.803 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000479252042 1040073199 /nfs/dbraw/zinc/07/31/99/1040073199.db2.gz SKAOAXVADAQUSL-SPYBWZPUSA-N 1 3 336.907 3.806 20 0 EHADHO CC1CC[NH+](Cc2cccc(CN[C@@H]3CO[C@@H](C4CC4)C3)c2)CC1 ZINC000667853837 1040576335 /nfs/dbraw/zinc/57/63/35/1040576335.db2.gz QIGMPXSBXWXHPB-LEWJYISDSA-N 1 3 328.500 3.576 20 0 EHADHO FC(F)(F)CCC(CCC(F)(F)F)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925711665 1041675856 /nfs/dbraw/zinc/67/58/56/1041675856.db2.gz ZNKBBDIPAZWPDC-MNSQCTGESA-N 1 3 344.343 3.626 20 0 EHADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661691 1041759740 /nfs/dbraw/zinc/75/97/40/1041759740.db2.gz FGUBUNNHOQEXQJ-IBGZPJMESA-N 1 3 331.891 3.712 20 0 EHADHO C[N@H+]1CC[C@]2(C1)CCCN(CCn1ccc3cc(Cl)ccc31)C2 ZINC000660661691 1041759748 /nfs/dbraw/zinc/75/97/48/1041759748.db2.gz FGUBUNNHOQEXQJ-IBGZPJMESA-N 1 3 331.891 3.712 20 0 EHADHO c1ccc(CNC2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000660679632 1041768380 /nfs/dbraw/zinc/76/83/80/1041768380.db2.gz QRVGHRYGHAATGK-UHFFFAOYSA-N 1 3 331.463 3.989 20 0 EHADHO COc1cc(OC)c(CNCCCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000651678587 1041895755 /nfs/dbraw/zinc/89/57/55/1041895755.db2.gz VKXMXANYGXPBNO-HNNXBMFYSA-N 1 3 338.467 3.587 20 0 EHADHO COc1cc(OC)c(CNCCCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000651678587 1041895764 /nfs/dbraw/zinc/89/57/64/1041895764.db2.gz VKXMXANYGXPBNO-HNNXBMFYSA-N 1 3 338.467 3.587 20 0 EHADHO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000661138564 1041966495 /nfs/dbraw/zinc/96/64/95/1041966495.db2.gz ZZXSXAGCLWBHIP-OAQYLSRUSA-N 1 3 343.559 3.856 20 0 EHADHO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000661138564 1041966497 /nfs/dbraw/zinc/96/64/97/1041966497.db2.gz ZZXSXAGCLWBHIP-OAQYLSRUSA-N 1 3 343.559 3.856 20 0 EHADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000249633311 1042538861 /nfs/dbraw/zinc/53/88/61/1042538861.db2.gz VVNOENXGKQLILK-HLIPFELVSA-N 1 3 346.515 3.552 20 0 EHADHO c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663343649 1042727882 /nfs/dbraw/zinc/72/78/82/1042727882.db2.gz ACNFQVLMBOUKNP-ZVDOUQERSA-N 1 3 327.516 3.819 20 0 EHADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790607 1042894334 /nfs/dbraw/zinc/89/43/34/1042894334.db2.gz AYHCYRHTNKRWSC-LNLFQRSKSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccn2)c1 ZINC000165790607 1042894337 /nfs/dbraw/zinc/89/43/37/1042894337.db2.gz AYHCYRHTNKRWSC-LNLFQRSKSA-N 1 3 339.483 3.794 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663471816 1042902582 /nfs/dbraw/zinc/90/25/82/1042902582.db2.gz YMCMXKSBYNTTIP-WMZOPIPTSA-N 1 3 340.515 3.596 20 0 EHADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000925780778 1042930674 /nfs/dbraw/zinc/93/06/74/1042930674.db2.gz GPKKPOAPNSLKLP-ZWNOBZJWSA-N 1 3 332.847 3.711 20 0 EHADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc2cccnc12 ZINC000344112189 1043267988 /nfs/dbraw/zinc/26/79/88/1043267988.db2.gz KPUCLVLBBBBKTR-HDICACEKSA-N 1 3 341.499 3.522 20 0 EHADHO CN(c1ccccc1CN[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000279208736 1043568655 /nfs/dbraw/zinc/56/86/55/1043568655.db2.gz VURPFJCHDODLLA-QFIPXVFZSA-N 1 3 349.522 3.994 20 0 EHADHO CC[C@@H](c1ccc(Br)cc1)N1CCC(C[NH2+]C)CC1 ZINC000063158903 1044150675 /nfs/dbraw/zinc/15/06/75/1044150675.db2.gz IFOWTSVAFYLZCL-INIZCTEOSA-N 1 3 325.294 3.832 20 0 EHADHO COC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C1CC1 ZINC000183373584 1125542915 /nfs/dbraw/zinc/54/29/15/1125542915.db2.gz CWKBCAAEDLQCPE-OXJNMPFZSA-N 1 3 346.515 3.757 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342204 1126922336 /nfs/dbraw/zinc/92/23/36/1126922336.db2.gz LUAWJMHLOKFSGT-APWZRJJASA-N 1 3 332.488 3.617 20 0 EHADHO CC(C)[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623342204 1126922339 /nfs/dbraw/zinc/92/23/39/1126922339.db2.gz LUAWJMHLOKFSGT-APWZRJJASA-N 1 3 332.488 3.617 20 0 EHADHO CN1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1(C)C ZINC000623497116 1126970978 /nfs/dbraw/zinc/97/09/78/1126970978.db2.gz XYNKHALDDYILOE-PZJWPPBQSA-N 1 3 329.532 3.504 20 0 EHADHO CCN(Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180099980 1127121015 /nfs/dbraw/zinc/12/10/15/1127121015.db2.gz GAGORSASNAMORB-FQEVSTJZSA-N 1 3 348.494 3.907 20 0 EHADHO CCN(Cc1ccc2c[nH]nc2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180099980 1127121018 /nfs/dbraw/zinc/12/10/18/1127121018.db2.gz GAGORSASNAMORB-FQEVSTJZSA-N 1 3 348.494 3.907 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623867264 1127206284 /nfs/dbraw/zinc/20/62/84/1127206284.db2.gz VVDRQAORBWECAE-RYUDHWBXSA-N 1 3 349.828 3.616 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120496 1127255190 /nfs/dbraw/zinc/25/51/90/1127255190.db2.gz AGXSHYXNNPKQBN-ZBFHGGJFSA-N 1 3 344.528 3.896 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000180978264 1127262591 /nfs/dbraw/zinc/26/25/91/1127262591.db2.gz UCGGTQGAOIZSMW-DZGCQCFKSA-N 1 3 330.394 3.763 20 0 EHADHO COC[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182452328 1127330522 /nfs/dbraw/zinc/33/05/22/1127330522.db2.gz JKBORWIMKAFGGI-BEFAXECRSA-N 1 3 340.458 3.754 20 0 EHADHO COC[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182452328 1127330527 /nfs/dbraw/zinc/33/05/27/1127330527.db2.gz JKBORWIMKAFGGI-BEFAXECRSA-N 1 3 340.458 3.754 20 0 EHADHO COc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185682141 1127430428 /nfs/dbraw/zinc/43/04/28/1127430428.db2.gz FZWDFMYLLVBDRL-IEBWSBKVSA-N 1 3 330.516 3.870 20 0 EHADHO COc1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000386072657 1127625391 /nfs/dbraw/zinc/62/53/91/1127625391.db2.gz GHHVIEOJSOUIBM-TZIWHRDSSA-N 1 3 336.479 3.649 20 0 EHADHO COc1ccccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000386072657 1127625393 /nfs/dbraw/zinc/62/53/93/1127625393.db2.gz GHHVIEOJSOUIBM-TZIWHRDSSA-N 1 3 336.479 3.649 20 0 EHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000282196192 1128059000 /nfs/dbraw/zinc/05/90/00/1128059000.db2.gz GNRHLEPJXNXYFS-OAHLLOKOSA-N 1 3 331.529 3.578 20 0 EHADHO CCCN(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764420 1128252672 /nfs/dbraw/zinc/25/26/72/1128252672.db2.gz DMYVVSZRXAFOKG-SLFFLAALSA-N 1 3 349.950 3.939 20 0 EHADHO CCCN(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000671764420 1128252676 /nfs/dbraw/zinc/25/26/76/1128252676.db2.gz DMYVVSZRXAFOKG-SLFFLAALSA-N 1 3 349.950 3.939 20 0 EHADHO Cc1nn(-c2ccccc2Cl)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000656251969 1128839076 /nfs/dbraw/zinc/83/90/76/1128839076.db2.gz RNURTRMBXRROKE-UHFFFAOYSA-N 1 3 346.906 3.608 20 0 EHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC001648785853 1120014523 /nfs/dbraw/zinc/01/45/23/1120014523.db2.gz IVNMCCOAHKLHFV-FGZHOGPDSA-N 1 3 343.559 3.720 20 0 EHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccnn1-c1ccccc1 ZINC000467358337 1120551962 /nfs/dbraw/zinc/55/19/62/1120551962.db2.gz JHXLISINBJABHC-QGZVFWFLSA-N 1 3 326.488 3.645 20 0 EHADHO C[NH+](C)CC1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192639740 1120741450 /nfs/dbraw/zinc/74/14/50/1120741450.db2.gz COBNDGIRSPOUND-UHFFFAOYSA-N 1 3 343.284 3.798 20 0 EHADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000192785829 1120748643 /nfs/dbraw/zinc/74/86/43/1120748643.db2.gz OROZTJOVMAZRDQ-LJQANCHMSA-N 1 3 337.939 3.797 20 0 EHADHO c1nc(-c2ccccc2)[nH]c1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192928316 1120754060 /nfs/dbraw/zinc/75/40/60/1120754060.db2.gz RTOUWWGZOCIETI-LJQANCHMSA-N 1 3 346.478 3.688 20 0 EHADHO c1nc(-c2ccccc2)[nH]c1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192928316 1120754062 /nfs/dbraw/zinc/75/40/62/1120754062.db2.gz RTOUWWGZOCIETI-LJQANCHMSA-N 1 3 346.478 3.688 20 0 EHADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495029779 1120935074 /nfs/dbraw/zinc/93/50/74/1120935074.db2.gz WXOQYRXZZLAOAZ-VDGAXYAQSA-N 1 3 334.479 3.757 20 0 EHADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495029779 1120935077 /nfs/dbraw/zinc/93/50/77/1120935077.db2.gz WXOQYRXZZLAOAZ-VDGAXYAQSA-N 1 3 334.479 3.757 20 0 EHADHO c1nc([C@@H](NCCCCC[NH+]2CCCCC2)C2CCCCC2)n[nH]1 ZINC000495066529 1120943298 /nfs/dbraw/zinc/94/32/98/1120943298.db2.gz HCIQSHCSHNCATQ-SFHVURJKSA-N 1 3 333.524 3.672 20 0 EHADHO C[C@H](CCN(C)C)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237445587 1121484225 /nfs/dbraw/zinc/48/42/25/1121484225.db2.gz KLUNCJZOWKVNRG-LLVKDONJSA-N 1 3 329.271 3.699 20 0 EHADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873120 1121550685 /nfs/dbraw/zinc/55/06/85/1121550685.db2.gz FZSNVBCMLUOLPW-CRAIPNDOSA-N 1 3 347.503 3.772 20 0 EHADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873120 1121550690 /nfs/dbraw/zinc/55/06/90/1121550690.db2.gz FZSNVBCMLUOLPW-CRAIPNDOSA-N 1 3 347.503 3.772 20 0 EHADHO Cc1ccsc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397629222 1121837657 /nfs/dbraw/zinc/83/76/57/1121837657.db2.gz MOTYQKHBUDBWKZ-KRWDZBQOSA-N 1 3 344.524 3.734 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000125859331 1122349580 /nfs/dbraw/zinc/34/95/80/1122349580.db2.gz YOVHVGRZYHJLMG-IEBWSBKVSA-N 1 3 340.515 3.952 20 0 EHADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125859331 1122349584 /nfs/dbraw/zinc/34/95/84/1122349584.db2.gz YOVHVGRZYHJLMG-IEBWSBKVSA-N 1 3 340.515 3.952 20 0 EHADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053812 1122795453 /nfs/dbraw/zinc/79/54/53/1122795453.db2.gz YJRHQILZBCIWCH-IPELMVKDSA-N 1 3 338.451 3.901 20 0 EHADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000556053812 1122795457 /nfs/dbraw/zinc/79/54/57/1122795457.db2.gz YJRHQILZBCIWCH-IPELMVKDSA-N 1 3 338.451 3.901 20 0 EHADHO CC(C)[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000246101225 1124021047 /nfs/dbraw/zinc/02/10/47/1124021047.db2.gz ORUXZXGVPVIMHT-NJYVYQBISA-N 1 3 330.516 3.741 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CCN1C ZINC000246866776 1124560868 /nfs/dbraw/zinc/56/08/68/1124560868.db2.gz DEMNFOAAMCPZOE-AYOQOUSVSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC[N@@H+]1C ZINC000246866776 1124560887 /nfs/dbraw/zinc/56/08/87/1124560887.db2.gz DEMNFOAAMCPZOE-AYOQOUSVSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC[N@H+]1C ZINC000246866776 1124560892 /nfs/dbraw/zinc/56/08/92/1124560892.db2.gz DEMNFOAAMCPZOE-AYOQOUSVSA-N 1 3 335.923 3.549 20 0 EHADHO Cc1cc(C)c([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000090937096 1124945975 /nfs/dbraw/zinc/94/59/75/1124945975.db2.gz ZJWQKVWXTIXULH-GOSISDBHSA-N 1 3 341.499 3.798 20 0 EHADHO Cc1cccc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000449295865 1124991418 /nfs/dbraw/zinc/99/14/18/1124991418.db2.gz VTDJZODEJXZMPM-LJQANCHMSA-N 1 3 337.511 3.618 20 0 EHADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000735363876 1131337195 /nfs/dbraw/zinc/33/71/95/1131337195.db2.gz FZXOSSOYZJAURA-OALUTQOASA-N 1 3 336.907 3.714 20 0 EHADHO O[C@@H](CN1CCCC1)C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000735363876 1131337200 /nfs/dbraw/zinc/33/72/00/1131337200.db2.gz FZXOSSOYZJAURA-OALUTQOASA-N 1 3 336.907 3.714 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc1CN1CCCCC1 ZINC000182566520 1125334921 /nfs/dbraw/zinc/33/49/21/1125334921.db2.gz RRZOCMBOJVVLKF-FXAWDEMLSA-N 1 3 348.531 3.739 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc1CN1CCCCC1 ZINC000182566541 1125334978 /nfs/dbraw/zinc/33/49/78/1125334978.db2.gz RRZOCMBOJVVLKF-XLIONFOSSA-N 1 3 348.531 3.739 20 0 EHADHO CS[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000922244916 1129394053 /nfs/dbraw/zinc/39/40/53/1129394053.db2.gz ZEHQVICDUPUOCL-RTBURBONSA-N 1 3 333.545 3.557 20 0 EHADHO CC1([NH+]2CCCC2)CCC(NCc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000922503183 1129556346 /nfs/dbraw/zinc/55/63/46/1129556346.db2.gz HNIAGHBFPYFSJU-RMXPPQQLSA-N 1 3 349.544 3.881 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN(C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000171304834 1130044221 /nfs/dbraw/zinc/04/42/21/1130044221.db2.gz QFNAYPVGAPUETC-QFDSWDFVSA-N 1 3 328.500 3.521 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN(C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000171304834 1130044229 /nfs/dbraw/zinc/04/42/29/1130044229.db2.gz QFNAYPVGAPUETC-QFDSWDFVSA-N 1 3 328.500 3.521 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)CCN1Cc1ccccc1 ZINC000674335834 1130067413 /nfs/dbraw/zinc/06/74/13/1130067413.db2.gz RRWTWPNDRUSLGJ-SJLPKXTDSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1C[C@H](NCc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000674335834 1130067419 /nfs/dbraw/zinc/06/74/19/1130067419.db2.gz RRWTWPNDRUSLGJ-SJLPKXTDSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1C[C@H](NCc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000674335834 1130067425 /nfs/dbraw/zinc/06/74/25/1130067425.db2.gz RRWTWPNDRUSLGJ-SJLPKXTDSA-N 1 3 334.467 3.706 20 0 EHADHO CC1CC[NH+](CCC[C@H](NC/C=C/CO)c2ccc(F)cc2)CC1 ZINC000658138481 1130191801 /nfs/dbraw/zinc/19/18/01/1130191801.db2.gz MHZQFVAIOXKIJX-NUALSEBGSA-N 1 3 334.479 3.517 20 0 EHADHO COCc1csc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000658208731 1130265208 /nfs/dbraw/zinc/26/52/08/1130265208.db2.gz KIGWTBQJKWRQBD-OAHLLOKOSA-N 1 3 348.512 3.686 20 0 EHADHO CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001172947210 1131917108 /nfs/dbraw/zinc/91/71/08/1131917108.db2.gz WZVGDLODDDNPGF-WOJBJXKFSA-N 1 3 328.500 3.542 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC001173114761 1131971248 /nfs/dbraw/zinc/97/12/48/1131971248.db2.gz SCZNSWKKUZMKGT-DAWZGUTISA-N 1 3 338.536 3.836 20 0 EHADHO COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001173449489 1132079437 /nfs/dbraw/zinc/07/94/37/1132079437.db2.gz UYMNZNQHGOZCOG-MSOLQXFVSA-N 1 3 336.520 3.519 20 0 EHADHO C[C@H](CN)C[N@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702318 1132129410 /nfs/dbraw/zinc/12/94/10/1132129410.db2.gz KYFDHTWSBYHLGD-UTKZUKDTSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702318 1132129416 /nfs/dbraw/zinc/12/94/16/1132129416.db2.gz KYFDHTWSBYHLGD-UTKZUKDTSA-N 1 3 338.495 3.650 20 0 EHADHO C[C@H](C[NH3+])CN(C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702318 1132129420 /nfs/dbraw/zinc/12/94/20/1132129420.db2.gz KYFDHTWSBYHLGD-UTKZUKDTSA-N 1 3 338.495 3.650 20 0 EHADHO CN(CC1CC1)C[C@@H]1CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382344 1132504326 /nfs/dbraw/zinc/50/43/26/1132504326.db2.gz LLHFRNQWQQWPMM-KRWDZBQOSA-N 1 3 341.524 3.992 20 0 EHADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000746382344 1132504333 /nfs/dbraw/zinc/50/43/33/1132504333.db2.gz LLHFRNQWQQWPMM-KRWDZBQOSA-N 1 3 341.524 3.992 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118323 1132663476 /nfs/dbraw/zinc/66/34/76/1132663476.db2.gz HJAJZMIYDQENRI-PLACYPQZSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CCOCC1)c1ccc(F)cc1)C2 ZINC001169118323 1132663480 /nfs/dbraw/zinc/66/34/80/1132663480.db2.gz HJAJZMIYDQENRI-PLACYPQZSA-N 1 3 346.490 3.898 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141392 1132673825 /nfs/dbraw/zinc/67/38/25/1132673825.db2.gz QHPHUKNPZPXMNB-IYWMVGAKSA-N 1 3 348.918 3.946 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H](OCc3ccc(Cl)cc3)C1)C2 ZINC001169141392 1132673829 /nfs/dbraw/zinc/67/38/29/1132673829.db2.gz QHPHUKNPZPXMNB-IYWMVGAKSA-N 1 3 348.918 3.946 20 0 EHADHO C[C@@H]1OC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc21 ZINC001169160802 1132683447 /nfs/dbraw/zinc/68/34/47/1132683447.db2.gz LKJYLVCRYDSWFH-FJIDUMEYSA-N 1 3 326.484 3.694 20 0 EHADHO C[C@@H]1OC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001169160802 1132683450 /nfs/dbraw/zinc/68/34/50/1132683450.db2.gz LKJYLVCRYDSWFH-FJIDUMEYSA-N 1 3 326.484 3.694 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC001169197852 1132689128 /nfs/dbraw/zinc/68/91/28/1132689128.db2.gz QAJUFXZJFCGKGS-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO CCN1CCC([NH2+]C[C@H](c2ccc(Cl)cc2Cl)N(C)C)CC1 ZINC001169232778 1132703801 /nfs/dbraw/zinc/70/38/01/1132703801.db2.gz BDDPBMRCLFUUAC-QGZVFWFLSA-N 1 3 344.330 3.670 20 0 EHADHO CCN(C)C1CC[NH+](C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169307075 1132726332 /nfs/dbraw/zinc/72/63/32/1132726332.db2.gz IPWQEBBFZYUYOI-UHFFFAOYSA-N 1 3 344.499 3.571 20 0 EHADHO Cc1cc(Br)c(CN2CCC[C@](C)(C[NH3+])CC2)cc1F ZINC001206319134 1133139567 /nfs/dbraw/zinc/13/95/67/1133139567.db2.gz XZSHHJMRINRNAD-INIZCTEOSA-N 1 3 343.284 3.848 20 0 EHADHO c1ccc2c(c1)OCC[C@@H]2CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001178585581 1133179808 /nfs/dbraw/zinc/17/98/08/1133179808.db2.gz XPZMAOYWEKDNGQ-MJGOQNOKSA-N 1 3 328.500 3.939 20 0 EHADHO c1ccc2c(c1)OCC[C@@H]2CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001178585581 1133179809 /nfs/dbraw/zinc/17/98/09/1133179809.db2.gz XPZMAOYWEKDNGQ-MJGOQNOKSA-N 1 3 328.500 3.939 20 0 EHADHO Cn1cccc1CN1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC001203260644 1133358651 /nfs/dbraw/zinc/35/86/51/1133358651.db2.gz ZEXPHWJSMMNJLD-UHFFFAOYSA-N 1 3 343.540 3.965 20 0 EHADHO Clc1ccc2c(n1)[C@@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000788801076 1134171574 /nfs/dbraw/zinc/17/15/74/1134171574.db2.gz YCVXCMQRJSULED-WMZOPIPTSA-N 1 3 341.886 3.834 20 0 EHADHO COc1ccc([C@H](C)[NH2+]CC[C@@H](C)OC)cc1CN1CCCCC1 ZINC000775381857 1134689895 /nfs/dbraw/zinc/68/98/95/1134689895.db2.gz RSXOBRPDUYKCAV-SJORKVTESA-N 1 3 334.504 3.757 20 0 EHADHO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775385900 1134696755 /nfs/dbraw/zinc/69/67/55/1134696755.db2.gz BMQKOPVKFDZVGG-DYESRHJHSA-N 1 3 348.531 3.883 20 0 EHADHO CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CCO1 ZINC001170191944 1134702905 /nfs/dbraw/zinc/70/29/05/1134702905.db2.gz CZFDZCLACLXTKF-MOPGFXCFSA-N 1 3 334.479 3.585 20 0 EHADHO C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170263166 1134726757 /nfs/dbraw/zinc/72/67/57/1134726757.db2.gz JBPBPHPAMSDOKG-SZMVWBNQSA-N 1 3 336.907 3.504 20 0 EHADHO C[C@H](O)CC[N@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078257 1134789289 /nfs/dbraw/zinc/78/92/89/1134789289.db2.gz RFAUMBOCCXFWQI-UGKGYDQZSA-N 1 3 340.511 3.605 20 0 EHADHO C[C@H](O)CC[N@@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001191078257 1134789294 /nfs/dbraw/zinc/78/92/94/1134789294.db2.gz RFAUMBOCCXFWQI-UGKGYDQZSA-N 1 3 340.511 3.605 20 0 EHADHO Cc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cnc1Cl ZINC000793206279 1134883130 /nfs/dbraw/zinc/88/31/30/1134883130.db2.gz DPWIECFMJWWSTH-KRWDZBQOSA-N 1 3 329.875 3.655 20 0 EHADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600281 1134894918 /nfs/dbraw/zinc/89/49/18/1134894918.db2.gz DMHAEPOPJUQWII-YOEHRIQHSA-N 1 3 339.321 3.654 20 0 EHADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2Br)[C@@H](C)C1 ZINC001191600281 1134894925 /nfs/dbraw/zinc/89/49/25/1134894925.db2.gz DMHAEPOPJUQWII-YOEHRIQHSA-N 1 3 339.321 3.654 20 0 EHADHO C[C@@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775495811 1134951726 /nfs/dbraw/zinc/95/17/26/1134951726.db2.gz CFKGKPQKPYYGQF-KNQAVFIVSA-N 1 3 349.522 3.549 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001192918895 1135073347 /nfs/dbraw/zinc/07/33/47/1135073347.db2.gz PRVJLYDVKQEFAN-SJORKVTESA-N 1 3 344.421 3.680 20 0 EHADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCOc1ccccc1F ZINC001199085468 1135879764 /nfs/dbraw/zinc/87/97/64/1135879764.db2.gz KSITUOKKASBUIH-UHFFFAOYSA-N 1 3 344.474 3.952 20 0 EHADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCOc1ccccc1F ZINC001199085468 1135879767 /nfs/dbraw/zinc/87/97/67/1135879767.db2.gz KSITUOKKASBUIH-UHFFFAOYSA-N 1 3 344.474 3.952 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000815596781 1136616944 /nfs/dbraw/zinc/61/69/44/1136616944.db2.gz DSAUIAJMDMGRON-RYGJVYDSSA-N 1 3 334.479 3.553 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560779 1136795612 /nfs/dbraw/zinc/79/56/12/1136795612.db2.gz QVIJAHUBJSHWJV-IBGZPJMESA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)(C)C)C2)ccn1 ZINC000856560779 1136795616 /nfs/dbraw/zinc/79/56/16/1136795616.db2.gz QVIJAHUBJSHWJV-IBGZPJMESA-N 1 3 333.520 3.811 20 0 EHADHO Cc1ccccc1[C@@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000819078928 1136911222 /nfs/dbraw/zinc/91/12/22/1136911222.db2.gz OFVGTFDFFWSYHN-AVRDEDQJSA-N 1 3 338.495 3.844 20 0 EHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1c(F)cccc1F ZINC000859995154 1137040132 /nfs/dbraw/zinc/04/01/32/1137040132.db2.gz MEXXSARENNILAO-IBGZPJMESA-N 1 3 348.437 3.582 20 0 EHADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066023 1137152018 /nfs/dbraw/zinc/15/20/18/1137152018.db2.gz FRWWDIZBYMXRHA-HUUCEWRRSA-N 1 3 327.299 3.925 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2cn(C3CC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000865510016 1137290127 /nfs/dbraw/zinc/29/01/27/1137290127.db2.gz RCIQZYSRWAMDSE-MJGOQNOKSA-N 1 3 338.499 3.608 20 0 EHADHO C[C@@H]1C[C@H](CCNCc2cn(C3CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000865510016 1137290129 /nfs/dbraw/zinc/29/01/29/1137290129.db2.gz RCIQZYSRWAMDSE-MJGOQNOKSA-N 1 3 338.499 3.608 20 0 EHADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000865661630 1137302607 /nfs/dbraw/zinc/30/26/07/1137302607.db2.gz VOAHIHOLTDJNQK-OYNPSCLESA-N 1 3 330.516 3.549 20 0 EHADHO C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000866399289 1137351909 /nfs/dbraw/zinc/35/19/09/1137351909.db2.gz REPVSAJOPRZOSJ-ZWKOTPCHSA-N 1 3 325.500 3.877 20 0 EHADHO C[C@@H](NC1CCC(C)([NH+](C)C)CC1)c1nc(Br)cs1 ZINC000866518430 1137360974 /nfs/dbraw/zinc/36/09/74/1137360974.db2.gz ZSLDICTWDZWXMN-CDWSIMAYSA-N 1 3 346.338 3.819 20 0 EHADHO Cn1cc([C@@H](NC2CCC(C)([NH+](C)C)CC2)c2cccc(F)c2)cn1 ZINC000866517406 1137361060 /nfs/dbraw/zinc/36/10/60/1137361060.db2.gz XYGYVKSBPSLJQC-GPJFCIFZSA-N 1 3 344.478 3.501 20 0 EHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000773046522 1137461500 /nfs/dbraw/zinc/46/15/00/1137461500.db2.gz STUUAHSQKBBSLG-SJCJKPOMSA-N 1 3 342.886 3.754 20 0 EHADHO C1C[C@H]2SCCS[C@@H]2[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000773139141 1137468636 /nfs/dbraw/zinc/46/86/36/1137468636.db2.gz SGTNXMQBUNGBEB-KZNAEPCWSA-N 1 3 340.602 3.753 20 0 EHADHO C[NH+](C)CC[C@@H](N[C@H]1CCc2c(F)cccc2C1)c1ccccc1 ZINC001171393054 1137469157 /nfs/dbraw/zinc/46/91/57/1137469157.db2.gz BJCBUEABQJEYST-GHTZIAJQSA-N 1 3 326.459 3.966 20 0 EHADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)O1 ZINC000716619064 1137487679 /nfs/dbraw/zinc/48/76/79/1137487679.db2.gz BARQSGMKIZYSQN-SDZDHKAXSA-N 1 3 328.500 3.587 20 0 EHADHO COc1ccccc1O[C@@H]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171638145 1137504553 /nfs/dbraw/zinc/50/45/53/1137504553.db2.gz UFPDIVVYWOWHDI-QGZVFWFLSA-N 1 3 346.515 3.800 20 0 EHADHO COc1ccccc1O[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638145 1137504555 /nfs/dbraw/zinc/50/45/55/1137504555.db2.gz UFPDIVVYWOWHDI-QGZVFWFLSA-N 1 3 346.515 3.800 20 0 EHADHO COc1ccccc1O[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638145 1137504556 /nfs/dbraw/zinc/50/45/56/1137504556.db2.gz UFPDIVVYWOWHDI-QGZVFWFLSA-N 1 3 346.515 3.800 20 0 EHADHO CCOC(=O)C[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H]1C ZINC001171644575 1137505165 /nfs/dbraw/zinc/50/51/65/1137505165.db2.gz FOGIBORYRQVUIR-JKSUJKDBSA-N 1 3 338.536 3.549 20 0 EHADHO CCOC(=O)C[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H]1C ZINC001171644575 1137505167 /nfs/dbraw/zinc/50/51/67/1137505167.db2.gz FOGIBORYRQVUIR-JKSUJKDBSA-N 1 3 338.536 3.549 20 0 EHADHO c1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)s1 ZINC001172061015 1137528720 /nfs/dbraw/zinc/52/87/20/1137528720.db2.gz DXXWORNBVSSNAO-NNZMDNLPSA-N 1 3 327.497 3.818 20 0 EHADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172079707 1137530977 /nfs/dbraw/zinc/53/09/77/1137530977.db2.gz POSXJMVDDGCTRD-VOFPXKNKSA-N 1 3 341.543 3.502 20 0 EHADHO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172079706 1137531186 /nfs/dbraw/zinc/53/11/86/1137531186.db2.gz POSXJMVDDGCTRD-OHLDOZIISA-N 1 3 341.543 3.502 20 0 EHADHO C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172134061 1137535877 /nfs/dbraw/zinc/53/58/77/1137535877.db2.gz WQIOQXJVLZGNQX-RZXSNQJFSA-N 1 3 345.506 3.520 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC001172106881 1137536843 /nfs/dbraw/zinc/53/68/43/1137536843.db2.gz QRTSFHYQAGQANK-ZSOGYDGISA-N 1 3 346.368 3.829 20 0 EHADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001172333722 1137551255 /nfs/dbraw/zinc/55/12/55/1137551255.db2.gz KMPYMJQANOOVJH-MSOLQXFVSA-N 1 3 348.531 3.625 20 0 EHADHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc2c(c1)CCCO2 ZINC000873212568 1137594027 /nfs/dbraw/zinc/59/40/27/1137594027.db2.gz NXMJJTFHYYLABM-CYBMUJFWSA-N 1 3 328.481 3.570 20 0 EHADHO FC(F)(F)c1cnc(CN[C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232921 1137594676 /nfs/dbraw/zinc/59/46/76/1137594676.db2.gz RPNOLRSQZRNWDZ-LLVKDONJSA-N 1 3 333.423 3.564 20 0 EHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644524 /nfs/dbraw/zinc/64/45/24/1137644524.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 1 3 338.499 3.711 20 0 EHADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644525 /nfs/dbraw/zinc/64/45/25/1137644525.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 1 3 338.499 3.711 20 0 EHADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644526 /nfs/dbraw/zinc/64/45/26/1137644526.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 1 3 338.499 3.711 20 0 EHADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccccc1-n1cccn1 ZINC001137101009 1137644527 /nfs/dbraw/zinc/64/45/27/1137644527.db2.gz WYWQXLVVMDJQJV-VQTJNVASSA-N 1 3 338.499 3.711 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000876935671 1137665780 /nfs/dbraw/zinc/66/57/80/1137665780.db2.gz FRJFYOUVFQATSL-FSNCLGKMSA-N 1 3 332.469 3.667 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000877524914 1137679534 /nfs/dbraw/zinc/67/95/34/1137679534.db2.gz KOEMVOGVSVKEBA-MSOLQXFVSA-N 1 3 325.500 3.876 20 0 EHADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546644 1137680893 /nfs/dbraw/zinc/68/08/93/1137680893.db2.gz VHKOIZDFDJGQGR-HXUWFJFHSA-N 1 3 345.487 3.561 20 0 EHADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2)C1 ZINC000877546644 1137680894 /nfs/dbraw/zinc/68/08/94/1137680894.db2.gz VHKOIZDFDJGQGR-HXUWFJFHSA-N 1 3 345.487 3.561 20 0 EHADHO CCC1([NH+]2CCCCC2)CCN(CCCCn2ccnc2C)CC1 ZINC000880255519 1137772193 /nfs/dbraw/zinc/77/21/93/1137772193.db2.gz NNRWQEGILNAFIL-UHFFFAOYSA-N 1 3 332.536 3.702 20 0 EHADHO C[C@H](CN[C@@H](c1ccc(F)cc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000883174565 1137847165 /nfs/dbraw/zinc/84/71/65/1137847165.db2.gz NDWNCRKLPLXATQ-UZLBHIALSA-N 1 3 334.479 3.615 20 0 EHADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000121034371 1137954645 /nfs/dbraw/zinc/95/46/45/1137954645.db2.gz GLJSICPOGNANGC-OAQYLSRUSA-N 1 3 340.515 3.893 20 0 EHADHO Cc1ccc2nc(CNC3CCC(C)([NH+]4CCCC4)CC3)cn2c1 ZINC000886522084 1138089416 /nfs/dbraw/zinc/08/94/16/1138089416.db2.gz BRCXBDYWNIEYMV-UHFFFAOYSA-N 1 3 326.488 3.529 20 0 EHADHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000886557016 1138095830 /nfs/dbraw/zinc/09/58/30/1138095830.db2.gz PLDYJXGKLZYFLI-HGJUEJDCSA-N 1 3 328.500 3.587 20 0 EHADHO CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000886625084 1138103434 /nfs/dbraw/zinc/10/34/34/1138103434.db2.gz IHEYBFGYUWEUSY-CPNAEOBWSA-N 1 3 342.527 3.833 20 0 EHADHO Cc1cc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c(C)s1 ZINC000090936882 1138214399 /nfs/dbraw/zinc/21/43/99/1138214399.db2.gz GLXXYHYIOLQETA-AWEZNQCLSA-N 1 3 333.501 3.551 20 0 EHADHO CCc1nc2c(s1)[C@H](NCc1cccc(C[NH+](C)C)c1)CCC2 ZINC000123658234 1138273097 /nfs/dbraw/zinc/27/30/97/1138273097.db2.gz JDMSOYNXCBEKTI-MRXNPFEDSA-N 1 3 329.513 3.934 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000174517190 1139425872 /nfs/dbraw/zinc/42/58/72/1139425872.db2.gz XLHIZRXYDICOBT-WMZOPIPTSA-N 1 3 334.467 3.598 20 0 EHADHO C[C@H]1C[C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000174517190 1139425876 /nfs/dbraw/zinc/42/58/76/1139425876.db2.gz XLHIZRXYDICOBT-WMZOPIPTSA-N 1 3 334.467 3.598 20 0 EHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000178737216 1139715005 /nfs/dbraw/zinc/71/50/05/1139715005.db2.gz WFQPXMAQYGYKIF-GYCJOSAFSA-N 1 3 344.524 3.727 20 0 EHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000178737216 1139715009 /nfs/dbraw/zinc/71/50/09/1139715009.db2.gz WFQPXMAQYGYKIF-GYCJOSAFSA-N 1 3 344.524 3.727 20 0 EHADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180643772 1139852157 /nfs/dbraw/zinc/85/21/57/1139852157.db2.gz KRHRYEMUEDAYBY-YWZLYKJASA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180643772 1139852168 /nfs/dbraw/zinc/85/21/68/1139852168.db2.gz KRHRYEMUEDAYBY-YWZLYKJASA-N 1 3 344.886 3.757 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000183244122 1140023591 /nfs/dbraw/zinc/02/35/91/1140023591.db2.gz WFZXLBNFSPIJPK-KKUMJFAQSA-N 1 3 326.431 3.505 20 0 EHADHO C[C@@H](NCc1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268819186 1140999382 /nfs/dbraw/zinc/99/93/82/1140999382.db2.gz RGAXVUPCZCCUDK-CQSZACIVSA-N 1 3 334.410 3.756 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268888950 1141017373 /nfs/dbraw/zinc/01/73/73/1141017373.db2.gz ZLHMWOXBZHQSHP-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](O)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268888950 1141017383 /nfs/dbraw/zinc/01/73/83/1141017383.db2.gz ZLHMWOXBZHQSHP-SPEDKVCISA-N 1 3 338.495 3.740 20 0 EHADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc2ccccc21 ZINC000271537442 1141391149 /nfs/dbraw/zinc/39/11/49/1141391149.db2.gz SFMSGKOYPZOULK-KNXBSLHKSA-N 1 3 338.495 3.868 20 0 EHADHO CN(Cc1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1)C1CC1 ZINC001165050467 721976518 /nfs/dbraw/zinc/97/65/18/721976518.db2.gz YJYPFGQLEHKKLQ-FQEVSTJZSA-N 1 3 342.531 3.521 20 0 EHADHO Cc1cc(C[NH2+]CCCN2CCCCC2)sc1Br ZINC000135116687 1032066928 /nfs/dbraw/zinc/06/69/28/1032066928.db2.gz OYWDPWKQVKRFAO-UHFFFAOYSA-N 1 3 331.323 3.785 20 0 EHADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2cnccc2c1 ZINC000904474081 1032069943 /nfs/dbraw/zinc/06/99/43/1032069943.db2.gz SYSILSSSRMKJIE-RBBKRZOGSA-N 1 3 345.446 3.580 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C)c1F ZINC000537971898 1032071153 /nfs/dbraw/zinc/07/11/53/1032071153.db2.gz LPBHCTZXZHICDK-KSZLIROESA-N 1 3 336.495 3.983 20 0 EHADHO CN(Cc1cccc(Br)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001209846622 1016589751 /nfs/dbraw/zinc/58/97/51/1016589751.db2.gz UZUJNBNFVGRBCO-UHFFFAOYSA-N 1 3 345.284 3.727 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cn3ccnc3s2)c1 ZINC000892697244 1016845866 /nfs/dbraw/zinc/84/58/66/1016845866.db2.gz QIKJQNCTBVPZSZ-UHFFFAOYSA-N 1 3 328.485 3.526 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cn3ccnc3s2)c1 ZINC000892697244 1016845883 /nfs/dbraw/zinc/84/58/83/1016845883.db2.gz QIKJQNCTBVPZSZ-UHFFFAOYSA-N 1 3 328.485 3.526 20 0 EHADHO CC(C)OC1CC(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463644 1032163662 /nfs/dbraw/zinc/16/36/62/1032163662.db2.gz MOEFSDHOANJUFV-CBNMVNINSA-N 1 3 328.500 3.540 20 0 EHADHO CC(C)OC1CC(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000459463644 1032163669 /nfs/dbraw/zinc/16/36/69/1032163669.db2.gz MOEFSDHOANJUFV-CBNMVNINSA-N 1 3 328.500 3.540 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOC2CCCC2)CC1 ZINC000449104283 1032183756 /nfs/dbraw/zinc/18/37/56/1032183756.db2.gz UQUOXLWTBVOTCM-SFHVURJKSA-N 1 3 330.516 3.631 20 0 EHADHO FC(F)(F)[C@H]1CC[N@H+](CCCN2CCCCC2)CC12CCOCC2 ZINC000459653891 1032377831 /nfs/dbraw/zinc/37/78/31/1032377831.db2.gz DVXNUXDEWVDGCB-INIZCTEOSA-N 1 3 348.453 3.543 20 0 EHADHO FC(F)(F)[C@H]1CC[N@@H+](CCCN2CCCCC2)CC12CCOCC2 ZINC000459653891 1032377840 /nfs/dbraw/zinc/37/78/40/1032377840.db2.gz DVXNUXDEWVDGCB-INIZCTEOSA-N 1 3 348.453 3.543 20 0 EHADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000459784589 1032466285 /nfs/dbraw/zinc/46/62/85/1032466285.db2.gz OALQJSLKHJAFTP-HNNXBMFYSA-N 1 3 331.485 3.647 20 0 EHADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000459784589 1032466289 /nfs/dbraw/zinc/46/62/89/1032466289.db2.gz OALQJSLKHJAFTP-HNNXBMFYSA-N 1 3 331.485 3.647 20 0 EHADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1COc2ccccc21 ZINC000090845373 1032601855 /nfs/dbraw/zinc/60/18/55/1032601855.db2.gz HAROGUDBQMWTDG-UZLBHIALSA-N 1 3 328.500 3.938 20 0 EHADHO Cc1cc2c(c(C)c1)[C@H](NCC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000655711894 1017434711 /nfs/dbraw/zinc/43/47/11/1017434711.db2.gz JUOFCIVOGMKZQL-LJQANCHMSA-N 1 3 328.500 3.525 20 0 EHADHO C[C@H](CNC[C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415085146 1017517449 /nfs/dbraw/zinc/51/74/49/1017517449.db2.gz HYVJKQDSBLYRNX-OLZOCXBDSA-N 1 3 343.334 3.519 20 0 EHADHO Cc1nc(-c2ccc(CCN[C@@H](C)C[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000415088766 1017536668 /nfs/dbraw/zinc/53/66/68/1017536668.db2.gz MLFYIDDTXAGWHG-JSGCOSHPSA-N 1 3 335.542 3.843 20 0 EHADHO C[C@H](CNC[C@@]1(C)CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415089147 1017536775 /nfs/dbraw/zinc/53/67/75/1017536775.db2.gz MYGYCIQIRLZJIZ-DOMZBBRYSA-N 1 3 343.334 3.519 20 0 EHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340423105 1017728981 /nfs/dbraw/zinc/72/89/81/1017728981.db2.gz CFGGPDFOYARFPD-QFBILLFUSA-N 1 3 330.472 3.659 20 0 EHADHO c1cc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543298 1032733459 /nfs/dbraw/zinc/73/34/59/1032733459.db2.gz SJSIWVLEZDVUOS-FPOVZHCZSA-N 1 3 343.515 3.688 20 0 EHADHO c1cc([C@@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)ccn1 ZINC000449543298 1032733477 /nfs/dbraw/zinc/73/34/77/1032733477.db2.gz SJSIWVLEZDVUOS-FPOVZHCZSA-N 1 3 343.515 3.688 20 0 EHADHO CN(Cc1ccc(C2CCC2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683784172 1018545564 /nfs/dbraw/zinc/54/55/64/1018545564.db2.gz MHHDIMVVRMSIFQ-QFIPXVFZSA-N 1 3 341.543 3.554 20 0 EHADHO CN(Cc1ccc(C2CCC2)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683784172 1018545570 /nfs/dbraw/zinc/54/55/70/1018545570.db2.gz MHHDIMVVRMSIFQ-QFIPXVFZSA-N 1 3 341.543 3.554 20 0 EHADHO CC(C)c1nc(CNCCCCC[NH+]2CCCC2)c2ccccn21 ZINC000576404376 1018936513 /nfs/dbraw/zinc/93/65/13/1018936513.db2.gz JJCDLEAWAUZVSO-UHFFFAOYSA-N 1 3 328.504 3.813 20 0 EHADHO CCN(CCOc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000345190390 1020012601 /nfs/dbraw/zinc/01/26/01/1020012601.db2.gz PBSUPSBKDGMSEE-CQSZACIVSA-N 1 3 330.394 3.548 20 0 EHADHO c1cc2c(o1)CCC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000119370760 1032916320 /nfs/dbraw/zinc/91/63/20/1032916320.db2.gz OCRNQEMFBLDHFI-HXUWFJFHSA-N 1 3 340.467 3.921 20 0 EHADHO C[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000581518612 1021038285 /nfs/dbraw/zinc/03/82/85/1021038285.db2.gz KVUJQHOTJHMNMI-XSLAGTTESA-N 1 3 340.433 3.870 20 0 EHADHO C[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000581518612 1021038292 /nfs/dbraw/zinc/03/82/92/1021038292.db2.gz KVUJQHOTJHMNMI-XSLAGTTESA-N 1 3 340.433 3.870 20 0 EHADHO Cc1ccccc1OCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961370 1021346549 /nfs/dbraw/zinc/34/65/49/1021346549.db2.gz JDPCNJGAMIDGTI-IHWFROFDSA-N 1 3 328.500 3.759 20 0 EHADHO Cc1ccccc1OCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961370 1021346566 /nfs/dbraw/zinc/34/65/66/1021346566.db2.gz JDPCNJGAMIDGTI-IHWFROFDSA-N 1 3 328.500 3.759 20 0 EHADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000519841210 1021719848 /nfs/dbraw/zinc/71/98/48/1021719848.db2.gz KWPNCBCTVWOLME-TYPHKJRUSA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000135177166 1123589413 /nfs/dbraw/zinc/58/94/13/1123589413.db2.gz GJULAAMZEKTQLK-YGRLFVJLSA-N 1 3 331.685 3.532 20 0 EHADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415008368 1021930435 /nfs/dbraw/zinc/93/04/35/1021930435.db2.gz SLAPKBPIKCWCHC-IVMMDQJWSA-N 1 3 332.385 3.839 20 0 EHADHO Cc1ccc2ccccc2c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441195536 1022047679 /nfs/dbraw/zinc/04/76/79/1022047679.db2.gz KZZODBMSEHDMQB-STZQEDGTSA-N 1 3 338.495 3.832 20 0 EHADHO Cc1c(C)c(C)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1C ZINC000441204652 1022062241 /nfs/dbraw/zinc/06/22/41/1022062241.db2.gz NQTDFVDCMCDFCK-BAGYTPMASA-N 1 3 344.543 3.912 20 0 EHADHO Fc1ccccc1[C@H]1CC[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425892824 1022130995 /nfs/dbraw/zinc/13/09/95/1022130995.db2.gz AMXFOYAKYNYMOD-HOTGVXAUSA-N 1 3 343.446 3.707 20 0 EHADHO CCC(C)(C)CC[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000441317438 1022148168 /nfs/dbraw/zinc/14/81/68/1022148168.db2.gz KLRORTWZEWVHGP-UHFFFAOYSA-N 1 3 331.548 3.562 20 0 EHADHO C[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)CN(C)C ZINC000425917674 1022188222 /nfs/dbraw/zinc/18/82/22/1022188222.db2.gz DEOMAQHYWRTESB-QMTHXVAHSA-N 1 3 331.323 3.749 20 0 EHADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000473912201 1022270489 /nfs/dbraw/zinc/27/04/89/1022270489.db2.gz NBWRXDPSXJMFBH-RPHTVSPISA-N 1 3 342.527 3.754 20 0 EHADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976891 1022409417 /nfs/dbraw/zinc/40/94/17/1022409417.db2.gz VTIXIPOHOZOBBN-HOTGVXAUSA-N 1 3 345.512 3.923 20 0 EHADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414940881 1022911988 /nfs/dbraw/zinc/91/19/88/1022911988.db2.gz KVINJLYUDWAPHO-ZCPGHIKRSA-N 1 3 326.406 3.929 20 0 EHADHO C[NH+](C)CC1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000506890937 1022993732 /nfs/dbraw/zinc/99/37/32/1022993732.db2.gz BOKYWASJJXVIFI-UHFFFAOYSA-N 1 3 334.410 3.998 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2NCCc3ccccc32)CCN1Cc1ccccc1 ZINC000414959174 1023066711 /nfs/dbraw/zinc/06/67/11/1023066711.db2.gz RXRVWJAEACQFAG-AAIMPIBUSA-N 1 3 349.522 3.516 20 0 EHADHO CC[C@H](c1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431023832 1023138017 /nfs/dbraw/zinc/13/80/17/1023138017.db2.gz SPUJJFXTJLPWAZ-MRXNPFEDSA-N 1 3 337.305 3.976 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000518267649 1023177302 /nfs/dbraw/zinc/17/73/02/1023177302.db2.gz PVWVZKPWCUUIQY-TWGQIWQCSA-N 1 3 349.522 3.627 20 0 EHADHO CC(C)COc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000510840704 1023261436 /nfs/dbraw/zinc/26/14/36/1023261436.db2.gz DRZZOSDTJJNDAW-OALUTQOASA-N 1 3 348.531 3.700 20 0 EHADHO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481579 1023475860 /nfs/dbraw/zinc/47/58/60/1023475860.db2.gz PGFDQHSTHKFTAK-DWLFOUALSA-N 1 3 338.495 3.529 20 0 EHADHO CCOC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(C)C ZINC000474096549 1024153977 /nfs/dbraw/zinc/15/39/77/1024153977.db2.gz NALNCTSBWBKPEH-BURNTYAHSA-N 1 3 330.516 3.548 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000414848992 1024210127 /nfs/dbraw/zinc/21/01/27/1024210127.db2.gz WWSUURFEBWMHTB-MRXNPFEDSA-N 1 3 331.504 3.778 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N(C)C)c1 ZINC000514220938 1024232455 /nfs/dbraw/zinc/23/24/55/1024232455.db2.gz DDSDIFARDLUCDE-GCJKJVERSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(N(C)C)c1 ZINC000514220938 1024232467 /nfs/dbraw/zinc/23/24/67/1024232467.db2.gz DDSDIFARDLUCDE-GCJKJVERSA-N 1 3 337.511 3.753 20 0 EHADHO CC1CCN(CC[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168007399 1024466120 /nfs/dbraw/zinc/46/61/20/1024466120.db2.gz RXTJHGZKTLJPAN-WOJBJXKFSA-N 1 3 343.559 3.750 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665163284 1024503301 /nfs/dbraw/zinc/50/33/01/1024503301.db2.gz ODJAMLAYTXUVNN-KRWDZBQOSA-N 1 3 348.535 3.512 20 0 EHADHO Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665163284 1024503313 /nfs/dbraw/zinc/50/33/13/1024503313.db2.gz ODJAMLAYTXUVNN-KRWDZBQOSA-N 1 3 348.535 3.512 20 0 EHADHO COCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(C)(C)C ZINC000511053930 1024975390 /nfs/dbraw/zinc/97/53/90/1024975390.db2.gz HRXGBUCHLYBLOX-BURNTYAHSA-N 1 3 344.543 3.938 20 0 EHADHO CC[N@H+](CCC1CCN([C@@H](C)c2cnc(C)cn2)CC1)CC1CC1 ZINC000428300746 1025388880 /nfs/dbraw/zinc/38/88/80/1025388880.db2.gz BEXLHFLNFXMLTD-KRWDZBQOSA-N 1 3 330.520 3.680 20 0 EHADHO CC[N@@H+](CCC1CCN([C@@H](C)c2cnc(C)cn2)CC1)CC1CC1 ZINC000428300746 1025388895 /nfs/dbraw/zinc/38/88/95/1025388895.db2.gz BEXLHFLNFXMLTD-KRWDZBQOSA-N 1 3 330.520 3.680 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000474037403 1025428693 /nfs/dbraw/zinc/42/86/93/1025428693.db2.gz QOLGJFYTHRIFSZ-OWCLPIDISA-N 1 3 332.479 3.679 20 0 EHADHO Clc1ccc2cccnc2c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347034020 1025438865 /nfs/dbraw/zinc/43/88/65/1025438865.db2.gz CDWFOVRVBOAOCR-SFHVURJKSA-N 1 3 329.875 3.852 20 0 EHADHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442876691 1025557441 /nfs/dbraw/zinc/55/74/41/1025557441.db2.gz VQPDUWZXFWMCTI-SFHVURJKSA-N 1 3 337.939 3.797 20 0 EHADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000442880977 1025560230 /nfs/dbraw/zinc/56/02/30/1025560230.db2.gz YNFAONVZWKLLGH-MOPGFXCFSA-N 1 3 349.950 3.592 20 0 EHADHO C[C@H](CC[NH3+])NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414888924 1026014608 /nfs/dbraw/zinc/01/46/08/1026014608.db2.gz FTQCCGNTGRRKKL-CYBMUJFWSA-N 1 3 334.895 3.785 20 0 EHADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)n1C ZINC001168016845 1026037151 /nfs/dbraw/zinc/03/71/51/1026037151.db2.gz WDDSSOPZKYOXKA-OPVJXMOQSA-N 1 3 325.500 3.865 20 0 EHADHO FC(F)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000475208939 1026388551 /nfs/dbraw/zinc/38/85/51/1026388551.db2.gz BMQGRYSUIWPKTA-KZNAEPCWSA-N 1 3 334.454 3.922 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)CCN1Cc1ccccc1 ZINC000530953019 1026441315 /nfs/dbraw/zinc/44/13/15/1026441315.db2.gz UQUZIHYDCZTVSU-LPHOPBHVSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)CCN1Cc1ccccc1 ZINC000530953019 1026441324 /nfs/dbraw/zinc/44/13/24/1026441324.db2.gz UQUZIHYDCZTVSU-LPHOPBHVSA-N 1 3 334.467 3.706 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000123073509 1026947575 /nfs/dbraw/zinc/94/75/75/1026947575.db2.gz IUFWHIJEPPQPCP-WXLSXGNJSA-N 1 3 336.442 3.587 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4ccncc4)[C@@H]3C2)cc1 ZINC000513712772 1027223775 /nfs/dbraw/zinc/22/37/75/1027223775.db2.gz FMQLLZUMZRAMKG-YTFSRNRJSA-N 1 3 349.522 3.905 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453073471 1027286504 /nfs/dbraw/zinc/28/65/04/1027286504.db2.gz GLFMPMLKZOYFHU-FQEVSTJZSA-N 1 3 349.950 3.798 20 0 EHADHO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453116690 1027390802 /nfs/dbraw/zinc/39/08/02/1027390802.db2.gz YIPPNCWGILRLJP-AQNXPRMDSA-N 1 3 341.524 3.984 20 0 EHADHO CCCN(Cc1ccc(Br)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836824 1125032859 /nfs/dbraw/zinc/03/28/59/1125032859.db2.gz YIBNXYBFCRKSBN-AWEZNQCLSA-N 1 3 325.294 3.579 20 0 EHADHO Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC[C@H]1CCC[NH2+]C1 ZINC000420300155 1027449959 /nfs/dbraw/zinc/44/99/59/1027449959.db2.gz HJCGBHVWEPCEGN-LJQANCHMSA-N 1 3 340.515 3.619 20 0 EHADHO CC[N@H+](C[C@H](CN)c1ccc(OC)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000420317089 1027462513 /nfs/dbraw/zinc/46/25/13/1027462513.db2.gz NBEWTEVNCGEQLK-LPHOPBHVSA-N 1 3 342.483 3.829 20 0 EHADHO CC[N@@H+](C[C@H](CN)c1ccc(OC)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000420317089 1027462519 /nfs/dbraw/zinc/46/25/19/1027462519.db2.gz NBEWTEVNCGEQLK-LPHOPBHVSA-N 1 3 342.483 3.829 20 0 EHADHO Clc1ccc(-c2c[nH]c([C@H]3CCCN3CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420315561 1027463912 /nfs/dbraw/zinc/46/39/12/1027463912.db2.gz KXJVTETZQJASQA-KBXCAEBGSA-N 1 3 344.890 3.867 20 0 EHADHO Clc1cccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)c1 ZINC000420325136 1027480039 /nfs/dbraw/zinc/48/00/39/1027480039.db2.gz IGMPXLSFCHUUAS-CVEARBPZSA-N 1 3 345.874 3.817 20 0 EHADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2sccc21 ZINC000453171967 1027492994 /nfs/dbraw/zinc/49/29/94/1027492994.db2.gz XZLOHBSPGANZAG-XFKAJCMBSA-N 1 3 334.529 3.654 20 0 EHADHO CCC1(CN[C@@H](C)c2ccncn2)CC[NH+](Cc2ccccc2)CC1 ZINC000453186080 1027507546 /nfs/dbraw/zinc/50/75/46/1027507546.db2.gz WONYOPZWEVCVAC-SFHVURJKSA-N 1 3 338.499 3.820 20 0 EHADHO c1ccc(CC(Cc2ccccc2)CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422561918 1027789457 /nfs/dbraw/zinc/78/94/57/1027789457.db2.gz OGNOZIJDDWOVLT-UHFFFAOYSA-N 1 3 334.507 3.916 20 0 EHADHO CC(C)OC1CC(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000459352228 1027820090 /nfs/dbraw/zinc/82/00/90/1027820090.db2.gz HFMWJJAMRFIZAC-LZBANZJXSA-N 1 3 342.527 3.931 20 0 EHADHO CC(C)OC1CC(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000459352228 1027820106 /nfs/dbraw/zinc/82/01/06/1027820106.db2.gz HFMWJJAMRFIZAC-LZBANZJXSA-N 1 3 342.527 3.931 20 0 EHADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc(OCCCc2ccccc2)c1 ZINC000422716991 1027883197 /nfs/dbraw/zinc/88/31/97/1027883197.db2.gz VCXZROVAFPQYCC-YADHBBJMSA-N 1 3 338.495 3.710 20 0 EHADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc21 ZINC000422754519 1027919876 /nfs/dbraw/zinc/91/98/76/1027919876.db2.gz GCBSJZFWGWSLAA-VQTJNVASSA-N 1 3 340.442 3.608 20 0 EHADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422766065 1027945507 /nfs/dbraw/zinc/94/55/07/1027945507.db2.gz RKIYYDKAEYQHND-ZIBCJSCZSA-N 1 3 345.506 3.695 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422839554 1027981982 /nfs/dbraw/zinc/98/19/82/1027981982.db2.gz QNNVIMFHEBFJIQ-RKDXNWHRSA-N 1 3 325.667 3.741 20 0 EHADHO COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1OC ZINC000502241707 1027992031 /nfs/dbraw/zinc/99/20/31/1027992031.db2.gz NMWSVHBSJXNUHL-AEFFLSMTSA-N 1 3 348.531 3.655 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnccc1N ZINC000422858742 1027994876 /nfs/dbraw/zinc/99/48/76/1027994876.db2.gz JCRQCIPQTFWMHA-DLBZAZTESA-N 1 3 338.499 3.719 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnccc1N ZINC000422858742 1027994893 /nfs/dbraw/zinc/99/48/93/1027994893.db2.gz JCRQCIPQTFWMHA-DLBZAZTESA-N 1 3 338.499 3.719 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccsc1 ZINC000422859442 1027997840 /nfs/dbraw/zinc/99/78/40/1027997840.db2.gz KAYQJLPKDNOELS-IFXJQAMLSA-N 1 3 346.544 3.644 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1SCCc2ccccc21 ZINC000422842540 1028005011 /nfs/dbraw/zinc/00/50/11/1028005011.db2.gz YQGUEDJRKUONJM-RYGJVYDSSA-N 1 3 326.509 3.565 20 0 EHADHO C[C@H](CCCC[NH3+])N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422880060 1028011765 /nfs/dbraw/zinc/01/17/65/1028011765.db2.gz NCVMTIGLUDLADO-UZLBHIALSA-N 1 3 336.483 3.770 20 0 EHADHO Cc1sc(CC[NH2+][C@@H](C)[C@@H]2CCCCN2)nc1-c1ccccc1 ZINC000422927963 1028059668 /nfs/dbraw/zinc/05/96/68/1028059668.db2.gz HYDBJOVRDQCMIN-YOEHRIQHSA-N 1 3 329.513 3.781 20 0 EHADHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1ccccc1C ZINC000422920420 1028076511 /nfs/dbraw/zinc/07/65/11/1028076511.db2.gz MTEIWTJLJUUPAL-YJBOKZPZSA-N 1 3 327.472 3.665 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000422945879 1028081678 /nfs/dbraw/zinc/08/16/78/1028081678.db2.gz VNQOGGLNOQKOPV-YLJYHZDGSA-N 1 3 348.494 3.562 20 0 EHADHO Cc1ccc(COc2ccc(C[C@H](C)N[C@@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000422950649 1028089782 /nfs/dbraw/zinc/08/97/82/1028089782.db2.gz YTDXGUQROBNQBQ-ROUUACIJSA-N 1 3 338.495 3.703 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000422999433 1028114480 /nfs/dbraw/zinc/11/44/80/1028114480.db2.gz FANKZZOGOCSUQX-FVJLSDCUSA-N 1 3 339.483 3.667 20 0 EHADHO COc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccc2OC)cc1 ZINC000423003363 1028116371 /nfs/dbraw/zinc/11/63/71/1028116371.db2.gz LTECZNHYVHBSQR-YWZLYKJASA-N 1 3 328.456 3.510 20 0 EHADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423026559 1028137244 /nfs/dbraw/zinc/13/72/44/1028137244.db2.gz QGJQUIPIKDQVEL-YUMYIRISSA-N 1 3 342.527 3.934 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1N1CCCCC1 ZINC000423040804 1028147085 /nfs/dbraw/zinc/14/70/85/1028147085.db2.gz IAFJHSWOMUPHMJ-INIZCTEOSA-N 1 3 338.499 3.690 20 0 EHADHO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423056861 1028152428 /nfs/dbraw/zinc/15/24/28/1028152428.db2.gz YVICDAHDVOJARI-YOEHRIQHSA-N 1 3 339.483 3.628 20 0 EHADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423079857 1028169840 /nfs/dbraw/zinc/16/98/40/1028169840.db2.gz RGOPFFCGXAPZQR-QMTHXVAHSA-N 1 3 326.271 3.734 20 0 EHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000246298243 1028178403 /nfs/dbraw/zinc/17/84/03/1028178403.db2.gz CWROBDVIWZEKMY-CEXWTWQISA-N 1 3 346.540 3.581 20 0 EHADHO COC[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1F ZINC000423415526 1028427258 /nfs/dbraw/zinc/42/72/58/1028427258.db2.gz ARKAWKAHBOBNTJ-XJKCOSOUSA-N 1 3 328.859 3.521 20 0 EHADHO Cc1c(C[NH2+]C[C@H]2CCCN(C(C)C)C2)sc2nc(C)nc(C)c12 ZINC000729682914 1028449683 /nfs/dbraw/zinc/44/96/83/1028449683.db2.gz SEGWKXCVJKYLAI-MRXNPFEDSA-N 1 3 346.544 3.827 20 0 EHADHO Brc1ccccc1C[C@@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423552348 1028514629 /nfs/dbraw/zinc/51/46/29/1028514629.db2.gz JRQTXIKBTSBCRF-QGZVFWFLSA-N 1 3 337.305 3.502 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C)cc1 ZINC000246458441 1028555981 /nfs/dbraw/zinc/55/59/81/1028555981.db2.gz PRYLYEYBOLQWRK-PWRODBHTSA-N 1 3 330.516 3.804 20 0 EHADHO CN(C)[C@H](C[NH2+]CC(C)(C)CN(C)Cc1ccccc1)c1ccco1 ZINC000237131084 1028642746 /nfs/dbraw/zinc/64/27/46/1028642746.db2.gz XSMQGHJJKPNKEC-LJQANCHMSA-N 1 3 343.515 3.630 20 0 EHADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000246944010 1028714933 /nfs/dbraw/zinc/71/49/33/1028714933.db2.gz HUYWRCKXSOTXNA-DOPJRALCSA-N 1 3 338.442 3.985 20 0 EHADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000246944010 1028714945 /nfs/dbraw/zinc/71/49/45/1028714945.db2.gz HUYWRCKXSOTXNA-DOPJRALCSA-N 1 3 338.442 3.985 20 0 EHADHO CN(C)Cc1cccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1 ZINC000424135687 1028826735 /nfs/dbraw/zinc/82/67/35/1028826735.db2.gz PHNLNCMRFSDBKH-SFHVURJKSA-N 1 3 331.504 3.765 20 0 EHADHO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272235460 1029374280 /nfs/dbraw/zinc/37/42/80/1029374280.db2.gz VNJOISGKLXNSKK-GCJKJVERSA-N 1 3 348.490 3.963 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000193159926 1029534042 /nfs/dbraw/zinc/53/40/42/1029534042.db2.gz DORBKGKDQAEBJE-PXAZEXFGSA-N 1 3 335.289 3.510 20 0 EHADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000193159926 1029534043 /nfs/dbraw/zinc/53/40/43/1029534043.db2.gz DORBKGKDQAEBJE-PXAZEXFGSA-N 1 3 335.289 3.510 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCc4ccncc4)[C@H]3C2)cc1 ZINC000272628376 1029541080 /nfs/dbraw/zinc/54/10/80/1029541080.db2.gz AIVLSSOEWDKFPZ-FDFHNCONSA-N 1 3 335.495 3.514 20 0 EHADHO Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)sc1C ZINC000272683329 1029565535 /nfs/dbraw/zinc/56/55/35/1029565535.db2.gz SXESSCWFISDCQW-QFBILLFUSA-N 1 3 343.540 3.803 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000446921545 1029854556 /nfs/dbraw/zinc/85/45/56/1029854556.db2.gz SKFHIDUWZSSIAI-ZWOKBUDYSA-N 1 3 338.499 3.736 20 0 EHADHO Cc1nccnc1[C@H](C)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000446921545 1029854563 /nfs/dbraw/zinc/85/45/63/1029854563.db2.gz SKFHIDUWZSSIAI-ZWOKBUDYSA-N 1 3 338.499 3.736 20 0 EHADHO Cc1cccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000120025800 1029909856 /nfs/dbraw/zinc/90/98/56/1029909856.db2.gz UVGXXSIOOPKMMD-HNNXBMFYSA-N 1 3 345.531 3.919 20 0 EHADHO C[C@H](c1ccccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000583500624 1029962576 /nfs/dbraw/zinc/96/25/76/1029962576.db2.gz QYWRGBGWYIICMH-HIFRSBDPSA-N 1 3 337.305 3.832 20 0 EHADHO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453297506 1030045949 /nfs/dbraw/zinc/04/59/49/1030045949.db2.gz ZIGNCWNLYFGRCQ-PSWRPDDJSA-N 1 3 344.543 3.818 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@@H+]1C ZINC000531948490 1030117054 /nfs/dbraw/zinc/11/70/54/1030117054.db2.gz UTTBMWYVBIYMDL-MDZRGWNJSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)CC[N@H+]1C ZINC000531948490 1030117059 /nfs/dbraw/zinc/11/70/59/1030117059.db2.gz UTTBMWYVBIYMDL-MDZRGWNJSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CCN1C ZINC000531948490 1030117068 /nfs/dbraw/zinc/11/70/68/1030117068.db2.gz UTTBMWYVBIYMDL-MDZRGWNJSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@H]1CC[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000090937229 1030197420 /nfs/dbraw/zinc/19/74/20/1030197420.db2.gz YCTLYRKKSVCOCP-OXJNMPFZSA-N 1 3 339.483 3.750 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000532073941 1030364988 /nfs/dbraw/zinc/36/49/88/1030364988.db2.gz SWVLHLJDCGLKIP-FQEVSTJZSA-N 1 3 347.572 3.594 20 0 EHADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(c2ccccc2F)CCC1 ZINC000650741116 1030462809 /nfs/dbraw/zinc/46/28/09/1030462809.db2.gz YFIXYAYOLBSWLQ-OXQOHEQNSA-N 1 3 326.459 3.796 20 0 EHADHO C[C@H](N[C@H]1CCc2c1cccc2O)c1cccc(OCC[NH+](C)C)c1 ZINC000130359744 1030727971 /nfs/dbraw/zinc/72/79/71/1030727971.db2.gz KGXBXANHQLDUHP-YWZLYKJASA-N 1 3 340.467 3.671 20 0 EHADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000550881978 1030758624 /nfs/dbraw/zinc/75/86/24/1030758624.db2.gz GAJBLMNFSLYYBN-SFTDATJTSA-N 1 3 344.543 3.939 20 0 EHADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883242 1030760380 /nfs/dbraw/zinc/76/03/80/1030760380.db2.gz WVMVBJRYKLFAID-NJDAHSKKSA-N 1 3 342.527 3.693 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1cccc2Br ZINC000650757167 1030785798 /nfs/dbraw/zinc/78/57/98/1030785798.db2.gz QCTVBWMUNKZQEM-SFHVURJKSA-N 1 3 345.284 3.946 20 0 EHADHO C[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)c1nc(-c2ccccc2)no1 ZINC000583865823 1030997392 /nfs/dbraw/zinc/99/73/92/1030997392.db2.gz FNEGLYRROWDICU-BVGQSLNGSA-N 1 3 334.423 3.575 20 0 EHADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2COc3ccccc3C2)CC1 ZINC000551050130 1031005236 /nfs/dbraw/zinc/00/52/36/1031005236.db2.gz FLQQLEBDVDLTPA-UTKZUKDTSA-N 1 3 336.479 3.805 20 0 EHADHO CCCN1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527632021 1031060039 /nfs/dbraw/zinc/06/00/39/1031060039.db2.gz LYGIOZRSXWHXCW-UHFFFAOYSA-N 1 3 330.394 3.678 20 0 EHADHO CN1CCN(CC2(C)CC[NH+](CCCC3CCCCC3)CC2)CC1 ZINC000583898994 1031074857 /nfs/dbraw/zinc/07/48/57/1031074857.db2.gz WEOGPDHPQBNLLK-UHFFFAOYSA-N 1 3 335.580 3.696 20 0 EHADHO Cc1ccccc1[C@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000483268810 1031076067 /nfs/dbraw/zinc/07/60/67/1031076067.db2.gz LODKKJOYQGQOBU-QRVBRYPASA-N 1 3 330.516 3.877 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000343559968 1031387621 /nfs/dbraw/zinc/38/76/21/1031387621.db2.gz VZQIPTOUMHOWBH-UHFFFAOYSA-N 1 3 343.519 3.566 20 0 EHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993872 1031402345 /nfs/dbraw/zinc/40/23/45/1031402345.db2.gz QFPSPFDZEHEVRT-CJNGLKHVSA-N 1 3 326.406 3.901 20 0 EHADHO CC(C)c1cccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000527877724 1031405189 /nfs/dbraw/zinc/40/51/89/1031405189.db2.gz SZQZRBXLOAHXEL-KRWDZBQOSA-N 1 3 341.499 3.996 20 0 EHADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000132856694 1031438273 /nfs/dbraw/zinc/43/82/73/1031438273.db2.gz QVBYQCXYLMJMSL-DLBZAZTESA-N 1 3 342.483 3.893 20 0 EHADHO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666995533 1031443990 /nfs/dbraw/zinc/44/39/90/1031443990.db2.gz QJUKEOJRCXFNPZ-HUUCEWRRSA-N 1 3 349.906 3.630 20 0 EHADHO CCC[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)OCC ZINC000527936221 1031503384 /nfs/dbraw/zinc/50/33/84/1031503384.db2.gz XHMCHHKBNLFDAM-WIYYLYMNSA-N 1 3 332.532 3.877 20 0 EHADHO Cc1nc(-c2ccc(CCNC[C@]3(C)CCC[NH2+]C3)s2)cs1 ZINC000904360138 1031977109 /nfs/dbraw/zinc/97/71/09/1031977109.db2.gz HXTBDDNMUCDFFS-QGZVFWFLSA-N 1 3 335.542 3.702 20 0 EHADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459392465 1032052168 /nfs/dbraw/zinc/05/21/68/1032052168.db2.gz UIFUITPVCDKXKE-MTFMMBMASA-N 1 3 348.556 3.646 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890313 1033340862 /nfs/dbraw/zinc/34/08/62/1033340862.db2.gz PIJPAUBYTKEVMI-ZRGWGRIASA-N 1 3 342.483 3.990 20 0 EHADHO COc1cc2ccc([C@H](C)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2cc1OC ZINC000657890313 1033340875 /nfs/dbraw/zinc/34/08/75/1033340875.db2.gz PIJPAUBYTKEVMI-ZRGWGRIASA-N 1 3 342.483 3.990 20 0 EHADHO FCC1(CF)CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000657970490 1033770494 /nfs/dbraw/zinc/77/04/94/1033770494.db2.gz DFSCFMBHYFJGNX-YZGWKJHDSA-N 1 3 348.481 3.965 20 0 EHADHO c1ccc2c(c1)CCC[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)C2 ZINC000658166396 1034032568 /nfs/dbraw/zinc/03/25/68/1034032568.db2.gz UYQHDASCJQXHEF-QHCPKHFHSA-N 1 3 349.522 3.831 20 0 EHADHO Cc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000119065905 1034075840 /nfs/dbraw/zinc/07/58/40/1034075840.db2.gz RFPSGADGZJZACQ-MRXNPFEDSA-N 1 3 330.447 3.925 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230305 1034088322 /nfs/dbraw/zinc/08/83/22/1034088322.db2.gz XTHHVCFAVSTNKG-DLBZAZTESA-N 1 3 340.515 3.881 20 0 EHADHO C[C@@H](CCc1n[nH]c2ccccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230305 1034088337 /nfs/dbraw/zinc/08/83/37/1034088337.db2.gz XTHHVCFAVSTNKG-DLBZAZTESA-N 1 3 340.515 3.881 20 0 EHADHO Cc1cccc(Cl)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000450456674 1034364244 /nfs/dbraw/zinc/36/42/44/1034364244.db2.gz YKEHGIXOGVDKFH-UHFFFAOYSA-N 1 3 336.907 3.725 20 0 EHADHO Cc1ccc(C)c([C@H](NCCOCC[NH+](C)C)c2ccccc2)c1 ZINC000392529611 1035712645 /nfs/dbraw/zinc/71/26/45/1035712645.db2.gz BWXHVPKCNXSMHJ-OAQYLSRUSA-N 1 3 326.484 3.561 20 0 EHADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000171132483 1036040202 /nfs/dbraw/zinc/04/02/02/1036040202.db2.gz BSLGCFVQAACDAV-NRFANRHFSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H](C)O1 ZINC000414262942 1036344419 /nfs/dbraw/zinc/34/44/19/1036344419.db2.gz PAQQPIWAXZXGLX-FLCGDVNSSA-N 1 3 342.527 3.690 20 0 EHADHO CCc1ccc([C@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000414301683 1036550306 /nfs/dbraw/zinc/55/03/06/1036550306.db2.gz KCFQXECQFZGREC-KRWDZBQOSA-N 1 3 342.483 3.520 20 0 EHADHO C[C@H](Cc1ccsc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000542153842 1037117902 /nfs/dbraw/zinc/11/79/02/1037117902.db2.gz BCVVNVMIXINCJY-ZACQAIPSSA-N 1 3 336.545 3.500 20 0 EHADHO C[C@H](Cc1ccsc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000542153837 1037119206 /nfs/dbraw/zinc/11/92/06/1037119206.db2.gz BCVVNVMIXINCJY-BRWVUGGUSA-N 1 3 336.545 3.500 20 0 EHADHO CC(C)[C@H]1C[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653899 1037672160 /nfs/dbraw/zinc/67/21/60/1037672160.db2.gz BJWZLYHWPZOXEH-UIFIKXQLSA-N 1 3 330.516 3.962 20 0 EHADHO CC(C)[C@H]1C[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000573653899 1037672165 /nfs/dbraw/zinc/67/21/65/1037672165.db2.gz BJWZLYHWPZOXEH-UIFIKXQLSA-N 1 3 330.516 3.962 20 0 EHADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000493892574 1037712238 /nfs/dbraw/zinc/71/22/38/1037712238.db2.gz XESSDQZWSJAPMB-RXVVDRJESA-N 1 3 326.484 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000493892574 1037712260 /nfs/dbraw/zinc/71/22/60/1037712260.db2.gz XESSDQZWSJAPMB-RXVVDRJESA-N 1 3 326.484 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000493892573 1037713542 /nfs/dbraw/zinc/71/35/42/1037713542.db2.gz XESSDQZWSJAPMB-NQIIRXRSSA-N 1 3 326.484 3.874 20 0 EHADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000493892573 1037713554 /nfs/dbraw/zinc/71/35/54/1037713554.db2.gz XESSDQZWSJAPMB-NQIIRXRSSA-N 1 3 326.484 3.874 20 0 EHADHO Cc1nccn1CCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000125503505 1038336685 /nfs/dbraw/zinc/33/66/85/1038336685.db2.gz OBDWKGFHKQCVRZ-FQEVSTJZSA-N 1 3 332.536 3.560 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000538721307 1038489740 /nfs/dbraw/zinc/48/97/40/1038489740.db2.gz BKDBLGSJZCHKLM-SFHVURJKSA-N 1 3 340.515 3.811 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000538721307 1038489747 /nfs/dbraw/zinc/48/97/47/1038489747.db2.gz BKDBLGSJZCHKLM-SFHVURJKSA-N 1 3 340.515 3.811 20 0 EHADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000363822904 1038615288 /nfs/dbraw/zinc/61/52/88/1038615288.db2.gz MXGPVQUHSNMHMX-FYZZASKESA-N 1 3 330.516 3.692 20 0 EHADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000363822915 1038616082 /nfs/dbraw/zinc/61/60/82/1038616082.db2.gz MXGPVQUHSNMHMX-OYNPSCLESA-N 1 3 330.516 3.692 20 0 EHADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000539081461 1038675116 /nfs/dbraw/zinc/67/51/16/1038675116.db2.gz LBHZLYNINDCCFY-YLJYHZDGSA-N 1 3 344.499 3.702 20 0 EHADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000539081461 1038675119 /nfs/dbraw/zinc/67/51/19/1038675119.db2.gz LBHZLYNINDCCFY-YLJYHZDGSA-N 1 3 344.499 3.702 20 0 EHADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)c1ccccc1Cl ZINC000479853150 1038785033 /nfs/dbraw/zinc/78/50/33/1038785033.db2.gz OUVDHPLBHVVYSW-AYOQOUSVSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853150 1038785043 /nfs/dbraw/zinc/78/50/43/1038785043.db2.gz OUVDHPLBHVVYSW-AYOQOUSVSA-N 1 3 337.939 3.653 20 0 EHADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000479853150 1038785057 /nfs/dbraw/zinc/78/50/57/1038785057.db2.gz OUVDHPLBHVVYSW-AYOQOUSVSA-N 1 3 337.939 3.653 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552048042 1038916125 /nfs/dbraw/zinc/91/61/25/1038916125.db2.gz FLJBKJBOVOXOFA-ILWGZMRPSA-N 1 3 337.511 3.806 20 0 EHADHO Cn1cccc1CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552048042 1038916140 /nfs/dbraw/zinc/91/61/40/1038916140.db2.gz FLJBKJBOVOXOFA-ILWGZMRPSA-N 1 3 337.511 3.806 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000485703115 1039451732 /nfs/dbraw/zinc/45/17/32/1039451732.db2.gz FJZRBTKXCGBUGH-KSSFIOAISA-N 1 3 342.886 3.706 20 0 EHADHO C(=C\c1ccncc1)\CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000486988613 1040625038 /nfs/dbraw/zinc/62/50/38/1040625038.db2.gz QECGLOAECNSUKM-TTXOHTOLSA-N 1 3 327.497 3.658 20 0 EHADHO C(=C\c1ccncc1)\CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000486988613 1040625049 /nfs/dbraw/zinc/62/50/49/1040625049.db2.gz QECGLOAECNSUKM-TTXOHTOLSA-N 1 3 327.497 3.658 20 0 EHADHO CSC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000433098601 1040737579 /nfs/dbraw/zinc/73/75/79/1040737579.db2.gz WCINQQXKBYKLQE-GUDVDZBRSA-N 1 3 330.541 3.772 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CN[C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667928785 1041280638 /nfs/dbraw/zinc/28/06/38/1041280638.db2.gz JCTFBINUTHFLNY-LEWJYISDSA-N 1 3 328.500 3.576 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000429803113 1041323103 /nfs/dbraw/zinc/32/31/03/1041323103.db2.gz MBOYKXNHVWJZKH-FXAWDEMLSA-N 1 3 334.504 3.516 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000429803113 1041323118 /nfs/dbraw/zinc/32/31/18/1041323118.db2.gz MBOYKXNHVWJZKH-FXAWDEMLSA-N 1 3 334.504 3.516 20 0 EHADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(OC(F)F)cc1 ZINC000662280112 1042652932 /nfs/dbraw/zinc/65/29/32/1042652932.db2.gz CNPZTHVVAXDTSM-ZDUSSCGKSA-N 1 3 332.394 3.785 20 0 EHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(C(C)C)CC1 ZINC000186572591 1042672390 /nfs/dbraw/zinc/67/23/90/1042672390.db2.gz WACOFPIYIWZMJO-OAQYLSRUSA-N 1 3 331.548 3.605 20 0 EHADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663343646 1042727271 /nfs/dbraw/zinc/72/72/71/1042727271.db2.gz ACNFQVLMBOUKNP-QKNQBKEWSA-N 1 3 327.516 3.819 20 0 EHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663465283 1042884270 /nfs/dbraw/zinc/88/42/70/1042884270.db2.gz JAIQNPBTCSSREH-PZKPASOESA-N 1 3 342.527 3.899 20 0 EHADHO Cc1cc2c(cc1C)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432414712 1043130971 /nfs/dbraw/zinc/13/09/71/1043130971.db2.gz AMNAMTYRGDDUKD-PKOBYXMFSA-N 1 3 348.556 3.931 20 0 EHADHO Cc1cc2c(cc1C)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432414712 1043130974 /nfs/dbraw/zinc/13/09/74/1043130974.db2.gz AMNAMTYRGDDUKD-PKOBYXMFSA-N 1 3 348.556 3.931 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000344036649 1043138356 /nfs/dbraw/zinc/13/83/56/1043138356.db2.gz VEBZPZMIPKAIFT-OAQYLSRUSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000122843211 1044521164 /nfs/dbraw/zinc/52/11/64/1044521164.db2.gz LOTRXLDMCPFXJQ-LBPRGKRZSA-N 1 3 328.378 3.863 20 0 EHADHO CC1CCN([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337537 1126918953 /nfs/dbraw/zinc/91/89/53/1126918953.db2.gz OIBOSPMYCSUSAM-MSOLQXFVSA-N 1 3 349.588 3.984 20 0 EHADHO CC1CCN([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623337537 1126918955 /nfs/dbraw/zinc/91/89/55/1126918955.db2.gz OIBOSPMYCSUSAM-MSOLQXFVSA-N 1 3 349.588 3.984 20 0 EHADHO CN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1(C)C ZINC000623364130 1126930885 /nfs/dbraw/zinc/93/08/85/1126930885.db2.gz UWGWVNDKTAUJHP-LJQANCHMSA-N 1 3 343.515 3.778 20 0 EHADHO C[N@@H+]1CC[C@@H](N[C@@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398701 1126944238 /nfs/dbraw/zinc/94/42/38/1126944238.db2.gz MUABHXXHDHIGSJ-UXHICEINSA-N 1 3 329.532 3.676 20 0 EHADHO C[N@H+]1CC[C@@H](N[C@@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398701 1126944239 /nfs/dbraw/zinc/94/42/39/1126944239.db2.gz MUABHXXHDHIGSJ-UXHICEINSA-N 1 3 329.532 3.676 20 0 EHADHO C[N@@H+]1CC[C@H](N[C@@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398700 1126944413 /nfs/dbraw/zinc/94/44/13/1126944413.db2.gz MUABHXXHDHIGSJ-PMACEKPBSA-N 1 3 329.532 3.676 20 0 EHADHO C[N@H+]1CC[C@H](N[C@@H](CN2CCCCC2)c2ccccc2)CC1(C)C ZINC000623398700 1126944415 /nfs/dbraw/zinc/94/44/15/1126944415.db2.gz MUABHXXHDHIGSJ-PMACEKPBSA-N 1 3 329.532 3.676 20 0 EHADHO C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(Br)c1 ZINC000623655762 1127006145 /nfs/dbraw/zinc/00/61/45/1127006145.db2.gz DXPDVIKUCKBFLP-GJZGRUSLSA-N 1 3 339.321 3.874 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623860835 1127200160 /nfs/dbraw/zinc/20/01/60/1127200160.db2.gz GTEDQALLPPVYCN-UONOGXRCSA-N 1 3 337.305 3.892 20 0 EHADHO Cc1ccc(Br)cc1[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000623860835 1127200166 /nfs/dbraw/zinc/20/01/66/1127200166.db2.gz GTEDQALLPPVYCN-UONOGXRCSA-N 1 3 337.305 3.892 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623951643 1127220997 /nfs/dbraw/zinc/22/09/97/1127220997.db2.gz UICPJTDIQXAJQX-GOSISDBHSA-N 1 3 347.572 3.829 20 0 EHADHO Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623951643 1127221000 /nfs/dbraw/zinc/22/10/00/1127221000.db2.gz UICPJTDIQXAJQX-GOSISDBHSA-N 1 3 347.572 3.829 20 0 EHADHO CN1CCCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000624123691 1127256556 /nfs/dbraw/zinc/25/65/56/1127256556.db2.gz QQLRMGTZYGFSTJ-MBOZVWFJSA-N 1 3 334.479 3.615 20 0 EHADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CCCS2 ZINC000624123637 1127256668 /nfs/dbraw/zinc/25/66/68/1127256668.db2.gz PRMHGPZOBGYMBR-CRAIPNDOSA-N 1 3 334.529 3.944 20 0 EHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000624124156 1127256687 /nfs/dbraw/zinc/25/66/87/1127256687.db2.gz YQAOPGACAHMZIR-BRWVUGGUSA-N 1 3 334.504 3.517 20 0 EHADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000383765966 1127557091 /nfs/dbraw/zinc/55/70/91/1127557091.db2.gz FSLFBMBPQPRCHI-CADBVGFASA-N 1 3 334.454 3.922 20 0 EHADHO CCOc1cccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000765406035 1127608603 /nfs/dbraw/zinc/60/86/03/1127608603.db2.gz LIYOCNXFSOCUMD-FGTMMUONSA-N 1 3 334.504 3.625 20 0 EHADHO Cc1ncc(CN(C)CCCC[N@H+](C)Cc2cnc(C)s2)s1 ZINC000172399729 1127939747 /nfs/dbraw/zinc/93/97/47/1127939747.db2.gz YKJPPGRRZQXLLX-UHFFFAOYSA-N 1 3 338.546 3.560 20 0 EHADHO Cc1ncc(CN(C)CCCC[N@@H+](C)Cc2cnc(C)s2)s1 ZINC000172399729 1127939752 /nfs/dbraw/zinc/93/97/52/1127939752.db2.gz YKJPPGRRZQXLLX-UHFFFAOYSA-N 1 3 338.546 3.560 20 0 EHADHO Clc1ccc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166387513 1128453645 /nfs/dbraw/zinc/45/36/45/1128453645.db2.gz VQJQXESDEAJYQM-HUUCEWRRSA-N 1 3 343.298 3.979 20 0 EHADHO Clc1ccc(OCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166387513 1128453648 /nfs/dbraw/zinc/45/36/48/1128453648.db2.gz VQJQXESDEAJYQM-HUUCEWRRSA-N 1 3 343.298 3.979 20 0 EHADHO Fc1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855122 1128507318 /nfs/dbraw/zinc/50/73/18/1128507318.db2.gz CKMBNRZTQNJDTJ-GJZGRUSLSA-N 1 3 328.378 3.534 20 0 EHADHO Fc1cc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855122 1128507321 /nfs/dbraw/zinc/50/73/21/1128507321.db2.gz CKMBNRZTQNJDTJ-GJZGRUSLSA-N 1 3 328.378 3.534 20 0 EHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000161070780 1120210016 /nfs/dbraw/zinc/21/00/16/1120210016.db2.gz QWUKTBHHJWOSER-MJGOQNOKSA-N 1 3 335.923 3.771 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCSCC1 ZINC000187155348 1120487923 /nfs/dbraw/zinc/48/79/23/1120487923.db2.gz JODQDOYIJITGAA-HKUYNNGSSA-N 1 3 332.557 3.672 20 0 EHADHO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000494740338 1120755954 /nfs/dbraw/zinc/75/59/54/1120755954.db2.gz OYCDMYHMMGRLLL-XEEYPJAOSA-N 1 3 342.527 3.977 20 0 EHADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc2c(c1)CCCO2 ZINC000153513344 1121254316 /nfs/dbraw/zinc/25/43/16/1121254316.db2.gz ZXCMTUFQLVQLTG-HXUWFJFHSA-N 1 3 346.515 3.553 20 0 EHADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873122 1121552033 /nfs/dbraw/zinc/55/20/33/1121552033.db2.gz FZSNVBCMLUOLPW-QAPCUYQASA-N 1 3 347.503 3.772 20 0 EHADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000495873122 1121552039 /nfs/dbraw/zinc/55/20/39/1121552039.db2.gz FZSNVBCMLUOLPW-QAPCUYQASA-N 1 3 347.503 3.772 20 0 EHADHO Cc1cc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cs1 ZINC000397586122 1121805158 /nfs/dbraw/zinc/80/51/58/1121805158.db2.gz JCCDFELHROSPHK-KRWDZBQOSA-N 1 3 344.524 3.734 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397634439 1121843691 /nfs/dbraw/zinc/84/36/91/1121843691.db2.gz OZLIZFVVFWBRJB-QGZVFWFLSA-N 1 3 344.524 3.734 20 0 EHADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000126537605 1122411784 /nfs/dbraw/zinc/41/17/84/1122411784.db2.gz QICYJCBLBVYYPV-KDOFPFPSSA-N 1 3 334.891 3.936 20 0 EHADHO COC(=O)Nc1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC000925450063 1122789466 /nfs/dbraw/zinc/78/94/66/1122789466.db2.gz MRHOXOJCDQZLAB-UHFFFAOYSA-N 1 3 347.503 3.508 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)c(F)c1 ZINC000131113783 1123046406 /nfs/dbraw/zinc/04/64/06/1123046406.db2.gz JDHJCMUNKCTLQC-VXGBXAGGSA-N 1 3 341.268 3.723 20 0 EHADHO COc1c(C)cc(CNCCC[N@H+](C)Cc2ccccc2)cc1C ZINC000920176624 1123332588 /nfs/dbraw/zinc/33/25/88/1123332588.db2.gz WLKZBGSRKZBFFT-UHFFFAOYSA-N 1 3 326.484 3.924 20 0 EHADHO COc1c(C)cc(CNCCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000920176624 1123332591 /nfs/dbraw/zinc/33/25/91/1123332591.db2.gz WLKZBGSRKZBFFT-UHFFFAOYSA-N 1 3 326.484 3.924 20 0 EHADHO Clc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000137073770 1123748746 /nfs/dbraw/zinc/74/87/46/1123748746.db2.gz QWQBNAIIMYSKJH-LBPRGKRZSA-N 1 3 343.696 3.676 20 0 EHADHO C[C@H](CCc1ccccc1F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247112785 1124589000 /nfs/dbraw/zinc/58/90/00/1124589000.db2.gz TZJXYVHMBHHLNK-KURKYZTESA-N 1 3 336.495 3.626 20 0 EHADHO CC[N@@H+]1CC[C@H](NCCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000248046602 1124636786 /nfs/dbraw/zinc/63/67/86/1124636786.db2.gz VDXRGILABDWVEH-YJBOKZPZSA-N 1 3 329.513 3.673 20 0 EHADHO CC[N@H+]1CC[C@H](NCCc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000248046602 1124636788 /nfs/dbraw/zinc/63/67/88/1124636788.db2.gz VDXRGILABDWVEH-YJBOKZPZSA-N 1 3 329.513 3.673 20 0 EHADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248897652 1124714665 /nfs/dbraw/zinc/71/46/65/1124714665.db2.gz VMZSYCHCSHEMAI-AEFFLSMTSA-N 1 3 336.495 3.677 20 0 EHADHO CCCc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936951 1124945650 /nfs/dbraw/zinc/94/56/50/1124945650.db2.gz NGMRGWDTCWDLLI-KRWDZBQOSA-N 1 3 341.499 3.825 20 0 EHADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000735363877 1131337050 /nfs/dbraw/zinc/33/70/50/1131337050.db2.gz FZXOSSOYZJAURA-RBUKOAKNSA-N 1 3 336.907 3.714 20 0 EHADHO O[C@@H](CN1CCCC1)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000735363877 1131337053 /nfs/dbraw/zinc/33/70/53/1131337053.db2.gz FZXOSSOYZJAURA-RBUKOAKNSA-N 1 3 336.907 3.714 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1CN1CCCCC1 ZINC000182198156 1125209359 /nfs/dbraw/zinc/20/93/59/1125209359.db2.gz QCQXQGXVIQRXIE-APWZRJJASA-N 1 3 332.488 3.511 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000093397564 1125240303 /nfs/dbraw/zinc/24/03/03/1125240303.db2.gz XLWYXTWYIWHQAL-IBGZPJMESA-N 1 3 335.561 3.597 20 0 EHADHO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182683095 1125353433 /nfs/dbraw/zinc/35/34/33/1125353433.db2.gz FSSVQPNLJMBUBC-QGZVFWFLSA-N 1 3 348.531 3.883 20 0 EHADHO CC(C)c1nn(C)c(Cl)c1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC000922847691 1129690077 /nfs/dbraw/zinc/69/00/77/1129690077.db2.gz DQXCKYARBMMGEW-UHFFFAOYSA-N 1 3 338.927 3.694 20 0 EHADHO CC1(C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658167484 1130225003 /nfs/dbraw/zinc/22/50/03/1130225003.db2.gz YEAMSFXJWJREKM-HSALFYBXSA-N 1 3 327.516 3.708 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752541 1130464878 /nfs/dbraw/zinc/46/48/78/1130464878.db2.gz YIXNONCEBWVYTI-XYPHTWIQSA-N 1 3 326.406 3.853 20 0 EHADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752541 1130464884 /nfs/dbraw/zinc/46/48/84/1130464884.db2.gz YIXNONCEBWVYTI-XYPHTWIQSA-N 1 3 326.406 3.853 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000675751956 1130465291 /nfs/dbraw/zinc/46/52/91/1130465291.db2.gz IQYRXUXTEZZRBY-HRCADAONSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000675751956 1130465296 /nfs/dbraw/zinc/46/52/96/1130465296.db2.gz IQYRXUXTEZZRBY-HRCADAONSA-N 1 3 349.906 3.582 20 0 EHADHO C[C@@H](CCSc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676251434 1130554801 /nfs/dbraw/zinc/55/48/01/1130554801.db2.gz POPZMPYXNFHHHN-KRWDZBQOSA-N 1 3 327.497 3.775 20 0 EHADHO CC(C)COCC[C@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172469776 1131733178 /nfs/dbraw/zinc/73/31/78/1131733178.db2.gz XBMHCIHKRJEXIU-KRWDZBQOSA-N 1 3 336.495 3.613 20 0 EHADHO CC[NH+](CC)C1CCC(N[C@@H](c2ccccc2)c2cccnn2)CC1 ZINC001173109213 1131969267 /nfs/dbraw/zinc/96/92/67/1131969267.db2.gz ZJUFSLWWCXKNSL-GRERDSQWSA-N 1 3 338.499 3.809 20 0 EHADHO CC[NH+](CC)C1CCC(N2CC3(CCN3Cc3ccccc3)C2)CC1 ZINC001173115176 1131972059 /nfs/dbraw/zinc/97/20/59/1131972059.db2.gz XTWJUOIUVDTCDM-UHFFFAOYSA-N 1 3 341.543 3.600 20 0 EHADHO COC(=O)CCCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001173449492 1132079956 /nfs/dbraw/zinc/07/99/56/1132079956.db2.gz UYMNZNQHGOZCOG-ZWKOTPCHSA-N 1 3 336.520 3.519 20 0 EHADHO COC(=O)CCCC[C@@H](C)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001173456096 1132081549 /nfs/dbraw/zinc/08/15/49/1132081549.db2.gz ZGLKQKGFEMFQIC-GOSISDBHSA-N 1 3 346.515 3.705 20 0 EHADHO COC(=O)CCCC[C@@H](C)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001173456096 1132081557 /nfs/dbraw/zinc/08/15/57/1132081557.db2.gz ZGLKQKGFEMFQIC-GOSISDBHSA-N 1 3 346.515 3.705 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1)C2 ZINC001169117320 1132661632 /nfs/dbraw/zinc/66/16/32/1132661632.db2.gz YGVLYXCSRPJGMP-PNBKFKSVSA-N 1 3 339.405 3.766 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119913 1132663742 /nfs/dbraw/zinc/66/37/42/1132663742.db2.gz YKRCXBANGJAMIU-PLACYPQZSA-N 1 3 328.500 3.759 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CCOCC1)c1ccccc1)C2 ZINC001169119913 1132663745 /nfs/dbraw/zinc/66/37/45/1132663745.db2.gz YKRCXBANGJAMIU-PLACYPQZSA-N 1 3 328.500 3.759 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Br)cc3)CC1)C2 ZINC001169109168 1132671199 /nfs/dbraw/zinc/67/11/99/1132671199.db2.gz ZFXGVEOQUBTJHN-PHZGNYQRSA-N 1 3 335.289 3.653 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115574 1132672475 /nfs/dbraw/zinc/67/24/75/1132672475.db2.gz LCQXPQNEHNHHMR-BURNTYAHSA-N 1 3 341.543 3.502 20 0 EHADHO CCN(Cc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144668 1132675686 /nfs/dbraw/zinc/67/56/86/1132675686.db2.gz LRGVYNBEHZAKQF-FVQHAEBGSA-N 1 3 337.305 3.896 20 0 EHADHO CCN(Cc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144668 1132675691 /nfs/dbraw/zinc/67/56/91/1132675691.db2.gz LRGVYNBEHZAKQF-FVQHAEBGSA-N 1 3 337.305 3.896 20 0 EHADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715550 1132741081 /nfs/dbraw/zinc/74/10/81/1132741081.db2.gz QESIXQLZVNNQAI-DOTOQJQBSA-N 1 3 338.923 3.609 20 0 EHADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001175715550 1132741085 /nfs/dbraw/zinc/74/10/85/1132741085.db2.gz QESIXQLZVNNQAI-DOTOQJQBSA-N 1 3 338.923 3.609 20 0 EHADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC001177541801 1133079641 /nfs/dbraw/zinc/07/96/41/1133079641.db2.gz DDZVITRWKKRZLX-CYBMUJFWSA-N 1 3 345.712 3.924 20 0 EHADHO COc1cc(C)c(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000768197690 1133112535 /nfs/dbraw/zinc/11/25/35/1133112535.db2.gz LZNXWHSTKUILCO-UHFFFAOYSA-N 1 3 342.483 3.706 20 0 EHADHO CC(C)Cc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001178169756 1133144317 /nfs/dbraw/zinc/14/43/17/1133144317.db2.gz ARGCWWPJSWLLEP-VXKWHMMOSA-N 1 3 344.543 3.743 20 0 EHADHO FC(F)C1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000769553324 1133313597 /nfs/dbraw/zinc/31/35/97/1133313597.db2.gz HJHSCKINPZLOCD-ARZKPCJCSA-N 1 3 334.454 3.920 20 0 EHADHO CC[C@]1(O)CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073189 1133453976 /nfs/dbraw/zinc/45/39/76/1133453976.db2.gz NMYXYQUVNDFRTK-YADHBBJMSA-N 1 3 344.543 3.772 20 0 EHADHO CC[C@]1(O)CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001181073189 1133453979 /nfs/dbraw/zinc/45/39/79/1133453979.db2.gz NMYXYQUVNDFRTK-YADHBBJMSA-N 1 3 344.543 3.772 20 0 EHADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cc2cnccc2o1 ZINC001183482980 1133812513 /nfs/dbraw/zinc/81/25/13/1133812513.db2.gz PKNVBOLZVDAXGU-XRTORIHISA-N 1 3 343.471 3.512 20 0 EHADHO Cc1ccc2ncc(CNCc3ccc(C[NH+]4CCCCC4)cc3)n2c1 ZINC000155708046 1134370550 /nfs/dbraw/zinc/37/05/50/1134370550.db2.gz JEIKRDQHKROHMN-UHFFFAOYSA-N 1 3 348.494 3.918 20 0 EHADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)ccc1OC ZINC000775422326 1134771106 /nfs/dbraw/zinc/77/11/06/1134771106.db2.gz LUVZWHXHGRUISH-GJYPPUQNSA-N 1 3 334.504 3.755 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001170408048 1134771331 /nfs/dbraw/zinc/77/13/31/1134771331.db2.gz QYNYBTJSLUQZMN-MRXNPFEDSA-N 1 3 332.488 3.717 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CCCN)C1CCCCC1 ZINC001170413568 1134773468 /nfs/dbraw/zinc/77/34/68/1134773468.db2.gz VYFZTYCJAMZWRQ-KRWDZBQOSA-N 1 3 332.488 3.720 20 0 EHADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCCN)C1CCCCC1 ZINC001170413568 1134773473 /nfs/dbraw/zinc/77/34/73/1134773473.db2.gz VYFZTYCJAMZWRQ-KRWDZBQOSA-N 1 3 332.488 3.720 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CCCN)C1CCCCC1 ZINC001170413583 1134773611 /nfs/dbraw/zinc/77/36/11/1134773611.db2.gz VYFZTYCJAMZWRQ-QGZVFWFLSA-N 1 3 332.488 3.720 20 0 EHADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCCN)C1CCCCC1 ZINC001170413583 1134773617 /nfs/dbraw/zinc/77/36/17/1134773617.db2.gz VYFZTYCJAMZWRQ-QGZVFWFLSA-N 1 3 332.488 3.720 20 0 EHADHO C[C@H]([NH2+]CCN1CCc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775495816 1134951564 /nfs/dbraw/zinc/95/15/64/1134951564.db2.gz CFKGKPQKPYYGQF-UGKGYDQZSA-N 1 3 349.522 3.549 20 0 EHADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(C2CCCC2)cc1 ZINC001192964020 1135084474 /nfs/dbraw/zinc/08/44/74/1135084474.db2.gz HBVJFQLEXIKDRQ-UHFFFAOYSA-N 1 3 343.559 3.802 20 0 EHADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C2CCCC2)cc1 ZINC001192964020 1135084480 /nfs/dbraw/zinc/08/44/80/1135084480.db2.gz HBVJFQLEXIKDRQ-UHFFFAOYSA-N 1 3 343.559 3.802 20 0 EHADHO Cc1nccn1CC[N@@H+]1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001196497743 1135575651 /nfs/dbraw/zinc/57/56/51/1135575651.db2.gz HCVCOODXKLRCBG-UHFFFAOYSA-N 1 3 340.515 3.567 20 0 EHADHO Cc1nccn1CC[N@H+]1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001196497743 1135575654 /nfs/dbraw/zinc/57/56/54/1135575654.db2.gz HCVCOODXKLRCBG-UHFFFAOYSA-N 1 3 340.515 3.567 20 0 EHADHO CC1CC[NH+](CC[C@H]2CCCN2CC[C@@H](O)c2ccccc2)CC1 ZINC001196936136 1135631315 /nfs/dbraw/zinc/63/13/15/1135631315.db2.gz QDOSKBKAVHKERQ-NHCUHLMSSA-N 1 3 330.516 3.697 20 0 EHADHO Cc1cnccc1C[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001196961110 1135634975 /nfs/dbraw/zinc/63/49/75/1135634975.db2.gz IUQQKVJFTLBJHA-VXKWHMMOSA-N 1 3 335.495 3.734 20 0 EHADHO CC1CC[NH+](CCCCNCc2cn3cc(Cl)ccc3n2)CC1 ZINC001199329340 1135898396 /nfs/dbraw/zinc/89/83/96/1135898396.db2.gz RBSOGQFZWUMFSD-UHFFFAOYSA-N 1 3 334.895 3.589 20 0 EHADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126855 1135924016 /nfs/dbraw/zinc/92/40/16/1135924016.db2.gz NROQFJSMFMLMST-PKOBYXMFSA-N 1 3 343.515 3.729 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850443094 1136259990 /nfs/dbraw/zinc/25/99/90/1136259990.db2.gz JVHPMBCKPFCDTK-KZNAEPCWSA-N 1 3 346.515 3.552 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CCC(O)CC2)ccc1OC ZINC000850556609 1136284647 /nfs/dbraw/zinc/28/46/47/1136284647.db2.gz SDURFBAVQRUCAA-ZRZPHAQCSA-N 1 3 348.531 3.739 20 0 EHADHO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCN([C@H]2CCCOCC2)CC1 ZINC001170797669 1136629669 /nfs/dbraw/zinc/62/96/69/1136629669.db2.gz WZNKVHBUZBWNBD-INIZCTEOSA-N 1 3 342.405 3.524 20 0 EHADHO [NH3+]CCc1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000817947843 1136849583 /nfs/dbraw/zinc/84/95/83/1136849583.db2.gz CNVLUPADLDHHCW-NRFANRHFSA-N 1 3 346.478 3.541 20 0 EHADHO Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc(CC[NH3+])cc2)c1 ZINC000817947131 1136850366 /nfs/dbraw/zinc/85/03/66/1136850366.db2.gz KXWVAKQKJQVRQF-CQSZACIVSA-N 1 3 334.410 3.948 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC[C@@H](O)c2ccccc2)C1 ZINC000818959789 1136895573 /nfs/dbraw/zinc/89/55/73/1136895573.db2.gz SZXCBPQBRJBWFV-XMSQKQJNSA-N 1 3 338.495 3.742 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC[C@@H](O)c2ccccc2)C1 ZINC000818959789 1136895576 /nfs/dbraw/zinc/89/55/76/1136895576.db2.gz SZXCBPQBRJBWFV-XMSQKQJNSA-N 1 3 338.495 3.742 20 0 EHADHO COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)cc1CN1CCCCC1 ZINC000858583914 1136980544 /nfs/dbraw/zinc/98/05/44/1136980544.db2.gz JBHXFEQPBIJUAU-ATZDWAIDSA-N 1 3 332.488 3.509 20 0 EHADHO C[C@@H]1CC([NH2+]CCCc2ccc(Br)cc2)C[C@@H](C)N1 ZINC001246079645 1136993672 /nfs/dbraw/zinc/99/36/72/1136993672.db2.gz DNTZPHAVLZAUQK-CHWSQXEVSA-N 1 3 325.294 3.500 20 0 EHADHO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](Nc3ccnc(CN)c3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC001171028477 1137111826 /nfs/dbraw/zinc/11/18/26/1137111826.db2.gz GJSRTXSGGGVXAA-LKTQXZJLSA-N 1 3 344.547 3.911 20 0 EHADHO CC(C)[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccn1 ZINC000866388182 1137351154 /nfs/dbraw/zinc/35/11/54/1137351154.db2.gz CWBXYEXBHSBINF-OAQYLSRUSA-N 1 3 338.499 3.676 20 0 EHADHO CC(C)[NH+]1CCC(N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000866611861 1137368977 /nfs/dbraw/zinc/36/89/77/1137368977.db2.gz XTKPQLIWDGLOSJ-RCCFBDPRSA-N 1 3 349.316 3.550 20 0 EHADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171412032 1137476043 /nfs/dbraw/zinc/47/60/43/1137476043.db2.gz REWVPMRPIGILMO-QFBILLFUSA-N 1 3 326.459 3.780 20 0 EHADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171412032 1137476044 /nfs/dbraw/zinc/47/60/44/1137476044.db2.gz REWVPMRPIGILMO-QFBILLFUSA-N 1 3 326.459 3.780 20 0 EHADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171624289 1137501483 /nfs/dbraw/zinc/50/14/83/1137501483.db2.gz OBVRKIGLUPCLRX-KRWDZBQOSA-N 1 3 330.516 3.794 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636029 1137504057 /nfs/dbraw/zinc/50/40/57/1137504057.db2.gz CYNFABIKZYEYFB-GOSISDBHSA-N 1 3 334.479 3.930 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636029 1137504058 /nfs/dbraw/zinc/50/40/58/1137504058.db2.gz CYNFABIKZYEYFB-GOSISDBHSA-N 1 3 334.479 3.930 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CC[C@@H](Oc3ccc(F)cc3)C2)CC1(C)C ZINC001171636029 1137504059 /nfs/dbraw/zinc/50/40/59/1137504059.db2.gz CYNFABIKZYEYFB-GOSISDBHSA-N 1 3 334.479 3.930 20 0 EHADHO CC(=O)N1CCCC[C@]12CCC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171637917 1137504728 /nfs/dbraw/zinc/50/47/28/1137504728.db2.gz SJOGHTRNDISPGM-OAQYLSRUSA-N 1 3 349.563 3.505 20 0 EHADHO CC(=O)N1CCCC[C@]12CCC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171637917 1137504729 /nfs/dbraw/zinc/50/47/29/1137504729.db2.gz SJOGHTRNDISPGM-OAQYLSRUSA-N 1 3 349.563 3.505 20 0 EHADHO C[NH+]1C(C)(C)CC(N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC1(C)C ZINC001171644701 1137505150 /nfs/dbraw/zinc/50/51/50/1137505150.db2.gz KNQLFSFBXRWYIB-ZWKOTPCHSA-N 1 3 339.543 3.536 20 0 EHADHO CC(C)(C)OC(=O)C1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001171910085 1137517781 /nfs/dbraw/zinc/51/77/81/1137517781.db2.gz FBFXRTNIZWYLQT-UHFFFAOYSA-N 1 3 338.536 3.870 20 0 EHADHO CC(C)(C)OC(=O)C1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001171910085 1137517783 /nfs/dbraw/zinc/51/77/83/1137517783.db2.gz FBFXRTNIZWYLQT-UHFFFAOYSA-N 1 3 338.536 3.870 20 0 EHADHO CCOC(=O)C1(C)CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001171943980 1137521892 /nfs/dbraw/zinc/52/18/92/1137521892.db2.gz ILDKQZLXEUYNEV-OCDPCBSRSA-N 1 3 346.515 3.595 20 0 EHADHO CCOC(=O)C1(C)CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001171943980 1137521894 /nfs/dbraw/zinc/52/18/94/1137521894.db2.gz ILDKQZLXEUYNEV-OCDPCBSRSA-N 1 3 346.515 3.595 20 0 EHADHO CC1(C)C[C@H](N2CC(N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987830 1137527811 /nfs/dbraw/zinc/52/78/11/1137527811.db2.gz KHBHMIJQSJBVCL-HXUWFJFHSA-N 1 3 341.543 3.600 20 0 EHADHO CC1(C)C[C@H](N2CC(N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987830 1137527812 /nfs/dbraw/zinc/52/78/12/1137527812.db2.gz KHBHMIJQSJBVCL-HXUWFJFHSA-N 1 3 341.543 3.600 20 0 EHADHO CCOCC[C@H](C)[NH+]1CCC2(CCCN2Cc2c(C)noc2C)CC1 ZINC001172421339 1137556520 /nfs/dbraw/zinc/55/65/20/1137556520.db2.gz SFWLLAASBZCSJX-INIZCTEOSA-N 1 3 349.519 3.537 20 0 EHADHO Cc1ccc(CN(Cc2cc3c(s2)CC[NH2+]C3)CC2CC2)cn1 ZINC000873213740 1137594137 /nfs/dbraw/zinc/59/41/37/1137594137.db2.gz OPQVOMGKJRXRNO-UHFFFAOYSA-N 1 3 327.497 3.509 20 0 EHADHO Fc1cccc2c1SCC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000873236810 1137594809 /nfs/dbraw/zinc/59/48/09/1137594809.db2.gz FIBTVVJZRXFROO-SFHVURJKSA-N 1 3 328.456 3.798 20 0 EHADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000873292100 1137596815 /nfs/dbraw/zinc/59/68/15/1137596815.db2.gz ZISXVPFYAUHQBB-GXTWGEPZSA-N 1 3 343.298 3.803 20 0 EHADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000125957142 1137652189 /nfs/dbraw/zinc/65/21/89/1137652189.db2.gz NRLYPUBCXYVSTQ-ZWKOTPCHSA-N 1 3 343.515 3.584 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000877076827 1137669668 /nfs/dbraw/zinc/66/96/68/1137669668.db2.gz VUNADVSOBDTATK-VNQPRFMTSA-N 1 3 327.299 3.823 20 0 EHADHO C[C@@H]1C[C@H](NC[C@@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000877076827 1137669669 /nfs/dbraw/zinc/66/96/69/1137669669.db2.gz VUNADVSOBDTATK-VNQPRFMTSA-N 1 3 327.299 3.823 20 0 EHADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000877189203 1137672494 /nfs/dbraw/zinc/67/24/94/1137672494.db2.gz LJGFNMJMBBYTFP-DSFVOBFGSA-N 1 3 344.480 3.952 20 0 EHADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743041 1137687545 /nfs/dbraw/zinc/68/75/45/1137687545.db2.gz SYRXOWGUXTUWSR-UKPHBRMFSA-N 1 3 326.406 3.835 20 0 EHADHO C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000877743041 1137687546 /nfs/dbraw/zinc/68/75/46/1137687546.db2.gz SYRXOWGUXTUWSR-UKPHBRMFSA-N 1 3 326.406 3.835 20 0 EHADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706653 /nfs/dbraw/zinc/70/66/53/1137706653.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 1 3 328.500 3.713 20 0 EHADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706654 /nfs/dbraw/zinc/70/66/54/1137706654.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706655 /nfs/dbraw/zinc/70/66/55/1137706655.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 1 3 328.500 3.713 20 0 EHADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC[C@H]21 ZINC000878196973 1137706656 /nfs/dbraw/zinc/70/66/56/1137706656.db2.gz KIOQHUXRFLUWTL-PLACYPQZSA-N 1 3 328.500 3.713 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](COC)C2)ccc1OC ZINC000883320169 1137854682 /nfs/dbraw/zinc/85/46/82/1137854682.db2.gz CMMLORCLOFUHDX-MDZRGWNJSA-N 1 3 334.504 3.613 20 0 EHADHO CCCCN1CCC([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137189835 1137862422 /nfs/dbraw/zinc/86/24/22/1137862422.db2.gz KEDHSGSNVYHANW-UHFFFAOYSA-N 1 3 327.472 3.637 20 0 EHADHO CCCCN1CCC([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137189835 1137862423 /nfs/dbraw/zinc/86/24/23/1137862423.db2.gz KEDHSGSNVYHANW-UHFFFAOYSA-N 1 3 327.472 3.637 20 0 EHADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264616 1137886850 /nfs/dbraw/zinc/88/68/50/1137886850.db2.gz NWABJZKVVRBWJK-HOCLYGCPSA-N 1 3 331.435 3.631 20 0 EHADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348264616 1137886851 /nfs/dbraw/zinc/88/68/51/1137886851.db2.gz NWABJZKVVRBWJK-HOCLYGCPSA-N 1 3 331.435 3.631 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331697553 1137917572 /nfs/dbraw/zinc/91/75/72/1137917572.db2.gz DEVKZHRTDXTNHZ-JFIYKMOQSA-N 1 3 329.488 3.770 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000331697553 1137917573 /nfs/dbraw/zinc/91/75/73/1137917573.db2.gz DEVKZHRTDXTNHZ-JFIYKMOQSA-N 1 3 329.488 3.770 20 0 EHADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886542943 1138094069 /nfs/dbraw/zinc/09/40/69/1138094069.db2.gz IHFFVGMBESPXTJ-WIYBCGNWSA-N 1 3 342.527 3.833 20 0 EHADHO Cc1ncc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)s1 ZINC000886553291 1138094928 /nfs/dbraw/zinc/09/49/28/1138094928.db2.gz IXPKNWDXZIAKHA-OTWHNJEPSA-N 1 3 341.524 3.637 20 0 EHADHO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524048 1138211073 /nfs/dbraw/zinc/21/10/73/1138211073.db2.gz FWWDVOHJDICCOT-NDXORKPFSA-N 1 3 346.515 3.504 20 0 EHADHO COc1cc(C)cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000090723903 1138213149 /nfs/dbraw/zinc/21/31/49/1138213149.db2.gz XOBCHNHPQYGKOT-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO CSc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937115 1138214189 /nfs/dbraw/zinc/21/41/89/1138214189.db2.gz YGVAPDRQEGUCPE-OAHLLOKOSA-N 1 3 345.512 3.595 20 0 EHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(Cl)n1 ZINC000092821591 1138231943 /nfs/dbraw/zinc/23/19/43/1138231943.db2.gz FZYCCHPZBDDZQK-UHFFFAOYSA-N 1 3 344.890 3.869 20 0 EHADHO NC1(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCC1 ZINC000333296871 1138275145 /nfs/dbraw/zinc/27/51/45/1138275145.db2.gz PLJDYBXFJVUNTF-OAHLLOKOSA-N 1 3 348.288 3.779 20 0 EHADHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000126647417 1138334632 /nfs/dbraw/zinc/33/46/32/1138334632.db2.gz QNTITSKLVFEULU-QGZVFWFLSA-N 1 3 343.540 3.655 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000132838885 1138605974 /nfs/dbraw/zinc/60/59/74/1138605974.db2.gz DBJFYCBOSOEZAB-CHWSQXEVSA-N 1 3 328.909 3.553 20 0 EHADHO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000177351668 1139614764 /nfs/dbraw/zinc/61/47/64/1139614764.db2.gz KXRHNAWSMKEIDR-ZWKOTPCHSA-N 1 3 338.495 3.991 20 0 EHADHO CCCOc1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000178486318 1139698363 /nfs/dbraw/zinc/69/83/63/1139698363.db2.gz INRANDPHWOKSIV-QGZVFWFLSA-N 1 3 334.504 3.627 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000188656804 1140303834 /nfs/dbraw/zinc/30/38/34/1140303834.db2.gz LRSZKPPJSDAVOW-DLBZAZTESA-N 1 3 338.417 3.953 20 0 EHADHO FC(F)(F)c1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000188656804 1140303841 /nfs/dbraw/zinc/30/38/41/1140303841.db2.gz LRSZKPPJSDAVOW-DLBZAZTESA-N 1 3 338.417 3.953 20 0 EHADHO CCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000192670145 1140543074 /nfs/dbraw/zinc/54/30/74/1140543074.db2.gz BSLJWAUIMSGHFX-AYHJJNSGSA-N 1 3 332.488 3.589 20 0 EHADHO C[C@H](CCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000193819031 1140587626 /nfs/dbraw/zinc/58/76/26/1140587626.db2.gz CMFQMOSQCAUHPE-NJDAHSKKSA-N 1 3 343.559 3.671 20 0 EHADHO C=Cn1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000194301321 1140604247 /nfs/dbraw/zinc/60/42/47/1140604247.db2.gz OZASFSRDICYUMS-UHFFFAOYSA-N 1 3 344.890 3.639 20 0 EHADHO CCc1noc(CC)c1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000269125650 1141069822 /nfs/dbraw/zinc/06/98/22/1141069822.db2.gz YMIAPFPJDBVHAR-AEFFLSMTSA-N 1 3 341.499 3.942 20 0 EHADHO CCOC(=O)[C@H]1CC[C@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000283401727 1141618244 /nfs/dbraw/zinc/61/82/44/1141618244.db2.gz QJZSLURBYPDSKF-PMACEKPBSA-N 1 3 344.499 3.631 20 0 EHADHO c1ccc2c(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccnc2c1 ZINC000904475692 1032071015 /nfs/dbraw/zinc/07/10/15/1032071015.db2.gz POZMSUFDGSMAOI-UNMCSNQZSA-N 1 3 345.446 3.580 20 0 EHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CCN1C ZINC000153379919 1125478231 /nfs/dbraw/zinc/47/82/31/1125478231.db2.gz DEMNFOAAMCPZOE-MNEFBYGVSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC[N@@H+]1C ZINC000153379919 1125478233 /nfs/dbraw/zinc/47/82/33/1125478233.db2.gz DEMNFOAAMCPZOE-MNEFBYGVSA-N 1 3 335.923 3.549 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC[N@H+]1C ZINC000153379919 1125478234 /nfs/dbraw/zinc/47/82/34/1125478234.db2.gz DEMNFOAAMCPZOE-MNEFBYGVSA-N 1 3 335.923 3.549 20 0 EHADHO CC[N@H+](CCC1CCN(Cc2cccc(OC)n2)CC1)CC(C)C ZINC000537994890 1032087463 /nfs/dbraw/zinc/08/74/63/1032087463.db2.gz JHWBXVFNMPYTCT-UHFFFAOYSA-N 1 3 333.520 3.670 20 0 EHADHO CC[N@@H+](CCC1CCN(Cc2cccc(OC)n2)CC1)CC(C)C ZINC000537994890 1032087481 /nfs/dbraw/zinc/08/74/81/1032087481.db2.gz JHWBXVFNMPYTCT-UHFFFAOYSA-N 1 3 333.520 3.670 20 0 EHADHO CN1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437323 1014451484 /nfs/dbraw/zinc/45/14/84/1014451484.db2.gz NPXJKQCDFIGDEA-IBGZPJMESA-N 1 3 329.875 3.806 20 0 EHADHO CN1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000339437323 1014451488 /nfs/dbraw/zinc/45/14/88/1014451488.db2.gz NPXJKQCDFIGDEA-IBGZPJMESA-N 1 3 329.875 3.806 20 0 EHADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC000180206896 1015881998 /nfs/dbraw/zinc/88/19/98/1015881998.db2.gz LIBZLKDQRHBIFF-DLBZAZTESA-N 1 3 325.500 3.655 20 0 EHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1nccn1C ZINC000182884940 1032146514 /nfs/dbraw/zinc/14/65/14/1032146514.db2.gz VYBDDMDMHYKKQI-OAHLLOKOSA-N 1 3 346.906 3.636 20 0 EHADHO CC(C)COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000236678310 1016701856 /nfs/dbraw/zinc/70/18/56/1016701856.db2.gz IRVYHUWZXFFANQ-OALUTQOASA-N 1 3 348.531 3.700 20 0 EHADHO Brc1ccc(/C=C\CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459582403 1032281085 /nfs/dbraw/zinc/28/10/85/1032281085.db2.gz RCEBTMVKLLFUJW-UPHRSURJSA-N 1 3 335.289 3.679 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440239 1032300101 /nfs/dbraw/zinc/30/01/01/1032300101.db2.gz KRPKRKNPKUCEQI-MDKPJZGXSA-N 1 3 348.506 3.626 20 0 EHADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)Cc1ccc(F)cc1 ZINC000528440239 1032300117 /nfs/dbraw/zinc/30/01/17/1032300117.db2.gz KRPKRKNPKUCEQI-MDKPJZGXSA-N 1 3 348.506 3.626 20 0 EHADHO COc1ccc([C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000537016736 1032473511 /nfs/dbraw/zinc/47/35/11/1032473511.db2.gz UIZGDKWJDYHRGS-UEXGIBASSA-N 1 3 348.531 3.871 20 0 EHADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423038824 1032492529 /nfs/dbraw/zinc/49/25/29/1032492529.db2.gz PFYKOCAIYDFWQV-CFZJUORYSA-N 1 3 347.890 3.929 20 0 EHADHO Cc1ccc(-c2ncc(CNCC3=CC[N@H+](C)CC3)s2)cc1C ZINC000655756817 1017549170 /nfs/dbraw/zinc/54/91/70/1017549170.db2.gz ZEKPWDKGSIBPTF-UHFFFAOYSA-N 1 3 327.497 3.778 20 0 EHADHO Cc1ccc(-c2ncc(CNCC3=CC[N@@H+](C)CC3)s2)cc1C ZINC000655756817 1017549187 /nfs/dbraw/zinc/54/91/87/1017549187.db2.gz ZEKPWDKGSIBPTF-UHFFFAOYSA-N 1 3 327.497 3.778 20 0 EHADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415107449 1017562833 /nfs/dbraw/zinc/56/28/33/1017562833.db2.gz OUFUFNLLDUUGRX-CZUORRHYSA-N 1 3 326.406 3.857 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H](C)C1 ZINC000340423104 1017728590 /nfs/dbraw/zinc/72/85/90/1017728590.db2.gz CFGGPDFOYARFPD-LPHOPBHVSA-N 1 3 330.472 3.659 20 0 EHADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446079 1017854356 /nfs/dbraw/zinc/85/43/56/1017854356.db2.gz JEELVQQSYWVECW-MIJOPJBOSA-N 1 3 337.467 3.633 20 0 EHADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446079 1017854375 /nfs/dbraw/zinc/85/43/75/1017854375.db2.gz JEELVQQSYWVECW-MIJOPJBOSA-N 1 3 337.467 3.633 20 0 EHADHO CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000377633701 1018097006 /nfs/dbraw/zinc/09/70/06/1018097006.db2.gz YFJOGOGGBLUSCR-DFNIBXOVSA-N 1 3 346.515 3.931 20 0 EHADHO CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000377633701 1018097019 /nfs/dbraw/zinc/09/70/19/1018097019.db2.gz YFJOGOGGBLUSCR-DFNIBXOVSA-N 1 3 346.515 3.931 20 0 EHADHO COC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513668417 1019920891 /nfs/dbraw/zinc/92/08/91/1019920891.db2.gz YEEHXTZCXIONMH-SLFFLAALSA-N 1 3 330.516 3.692 20 0 EHADHO CC(C)n1nccc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000280222914 1020207477 /nfs/dbraw/zinc/20/74/77/1020207477.db2.gz JAYCCEJOZUJTHU-QZTJIDSGSA-N 1 3 340.515 3.710 20 0 EHADHO c1ccc(CN2CCC[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C2)cc1 ZINC000656493966 1020729321 /nfs/dbraw/zinc/72/93/21/1020729321.db2.gz RULXTIGBVZSUKM-IBGZPJMESA-N 1 3 335.495 3.572 20 0 EHADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCc2c(Br)cccc21 ZINC000341199872 1021085491 /nfs/dbraw/zinc/08/54/91/1021085491.db2.gz YVFQNMQMNVHOKK-BLLLJJGKSA-N 1 3 325.294 3.756 20 0 EHADHO C[C@@H](CCc1ccccc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656682401 1021163371 /nfs/dbraw/zinc/16/33/71/1021163371.db2.gz CTCKVQOXAHPOBA-IBGZPJMESA-N 1 3 337.511 3.905 20 0 EHADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(C)C ZINC000656784931 1021339007 /nfs/dbraw/zinc/33/90/07/1021339007.db2.gz IEBAQASZMFZZJY-LJQANCHMSA-N 1 3 346.515 3.694 20 0 EHADHO Cc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000656785109 1021340096 /nfs/dbraw/zinc/34/00/96/1021340096.db2.gz IMHVBTZZCNRBEE-LJQANCHMSA-N 1 3 339.483 3.862 20 0 EHADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430542705 1021666167 /nfs/dbraw/zinc/66/61/67/1021666167.db2.gz CYCWXDNKYMIYDF-KGLIPLIRSA-N 1 3 330.394 3.534 20 0 EHADHO Fc1cc([C@H]2CCCN2CC2CC[NH2+]CC2)ccc1Br ZINC000261943968 1021826474 /nfs/dbraw/zinc/82/64/74/1021826474.db2.gz NDGRJXQMDDTJQE-MRXNPFEDSA-N 1 3 341.268 3.725 20 0 EHADHO c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167965817 1021870652 /nfs/dbraw/zinc/87/06/52/1021870652.db2.gz NIXCRSPRMGVUJN-XDNSSPFJSA-N 1 3 339.527 3.650 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC000441382780 1022185724 /nfs/dbraw/zinc/18/57/24/1022185724.db2.gz LGIBSZAVMXWUFD-JBACZVJFSA-N 1 3 343.559 3.574 20 0 EHADHO CCc1cccc(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441409759 1022219806 /nfs/dbraw/zinc/21/98/06/1022219806.db2.gz JVSNPCYPKQFSIX-GHTZIAJQSA-N 1 3 328.500 3.577 20 0 EHADHO CCc1cccc(OCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441409759 1022219818 /nfs/dbraw/zinc/21/98/18/1022219818.db2.gz JVSNPCYPKQFSIX-GHTZIAJQSA-N 1 3 328.500 3.577 20 0 EHADHO [NH3+][C@H]1C[C@H](NCCc2ccc(Br)cc2)c2ccccc21 ZINC000261762849 1022275883 /nfs/dbraw/zinc/27/58/83/1022275883.db2.gz NXYRCOONCSRMJR-IRXDYDNUSA-N 1 3 331.257 3.726 20 0 EHADHO COc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167975102 1022570487 /nfs/dbraw/zinc/57/04/87/1022570487.db2.gz HBDDBTACYMJRRC-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO COc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167975102 1022570496 /nfs/dbraw/zinc/57/04/96/1022570496.db2.gz HBDDBTACYMJRRC-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167975102 1022570508 /nfs/dbraw/zinc/57/05/08/1022570508.db2.gz HBDDBTACYMJRRC-IHWFROFDSA-N 1 3 340.511 3.765 20 0 EHADHO Cc1ccccc1[C@H](C)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425993858 1022610570 /nfs/dbraw/zinc/61/05/70/1022610570.db2.gz MXCNAICPCCSKEB-SIKLNZKXSA-N 1 3 338.495 3.625 20 0 EHADHO Cc1ccccc1[C@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425993858 1022610573 /nfs/dbraw/zinc/61/05/73/1022610573.db2.gz MXCNAICPCCSKEB-SIKLNZKXSA-N 1 3 338.495 3.625 20 0 EHADHO CCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000341639712 1022743098 /nfs/dbraw/zinc/74/30/98/1022743098.db2.gz MAUUHBOURAIIPA-YOEHRIQHSA-N 1 3 345.314 3.881 20 0 EHADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414941314 1022915438 /nfs/dbraw/zinc/91/54/38/1022915438.db2.gz LNWXOINXKSTWKQ-IAOVAPTHSA-N 1 3 339.321 3.748 20 0 EHADHO C[C@H]1CNCC[C@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000414941236 1022916000 /nfs/dbraw/zinc/91/60/00/1022916000.db2.gz LEHLVTMJPCHINJ-YCRPNKLZSA-N 1 3 344.449 3.706 20 0 EHADHO C[C@H]1C[NH2+]CC[C@H]1NC(Cc1ccccc1F)Cc1ccccc1F ZINC000414941236 1022916011 /nfs/dbraw/zinc/91/60/11/1022916011.db2.gz LEHLVTMJPCHINJ-YCRPNKLZSA-N 1 3 344.449 3.706 20 0 EHADHO OCc1cccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638543861 1023010516 /nfs/dbraw/zinc/01/05/16/1023010516.db2.gz BJCOSMVPCFGGJB-IFMALSPDSA-N 1 3 336.479 3.637 20 0 EHADHO OCc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638543861 1023010528 /nfs/dbraw/zinc/01/05/28/1023010528.db2.gz BJCOSMVPCFGGJB-IFMALSPDSA-N 1 3 336.479 3.637 20 0 EHADHO CC(C)[N@H+](C)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000535813191 1023653888 /nfs/dbraw/zinc/65/38/88/1023653888.db2.gz QZUYMKQZBVADCF-UHFFFAOYSA-N 1 3 344.478 3.564 20 0 EHADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000535813191 1023653893 /nfs/dbraw/zinc/65/38/93/1023653893.db2.gz QZUYMKQZBVADCF-UHFFFAOYSA-N 1 3 344.478 3.564 20 0 EHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000522191077 1024011646 /nfs/dbraw/zinc/01/16/46/1024011646.db2.gz FYZQPWZERIZURX-HXUWFJFHSA-N 1 3 343.515 3.528 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000522534459 1024057281 /nfs/dbraw/zinc/05/72/81/1024057281.db2.gz KGUXHXWYKUBARO-INIZCTEOSA-N 1 3 334.467 3.878 20 0 EHADHO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000522534459 1024057307 /nfs/dbraw/zinc/05/73/07/1024057307.db2.gz KGUXHXWYKUBARO-INIZCTEOSA-N 1 3 334.467 3.878 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103612 1024134914 /nfs/dbraw/zinc/13/49/14/1024134914.db2.gz CVLCARIJRZSJPN-SUMWQHHRSA-N 1 3 342.405 3.968 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103612 1024134923 /nfs/dbraw/zinc/13/49/23/1024134923.db2.gz CVLCARIJRZSJPN-SUMWQHHRSA-N 1 3 342.405 3.968 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103612 1024134928 /nfs/dbraw/zinc/13/49/28/1024134928.db2.gz CVLCARIJRZSJPN-SUMWQHHRSA-N 1 3 342.405 3.968 20 0 EHADHO CC[N@@H+]1CC[C@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103610 1024135470 /nfs/dbraw/zinc/13/54/70/1024135470.db2.gz CVLCARIJRZSJPN-DYVFJYSZSA-N 1 3 342.405 3.968 20 0 EHADHO CC[N@H+]1CC[C@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103610 1024135479 /nfs/dbraw/zinc/13/54/79/1024135479.db2.gz CVLCARIJRZSJPN-DYVFJYSZSA-N 1 3 342.405 3.968 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000514103610 1024135488 /nfs/dbraw/zinc/13/54/88/1024135488.db2.gz CVLCARIJRZSJPN-DYVFJYSZSA-N 1 3 342.405 3.968 20 0 EHADHO Clc1sc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000191693446 1024151016 /nfs/dbraw/zinc/15/10/16/1024151016.db2.gz WROKPBYNNMELFI-VIFPVBQESA-N 1 3 349.725 3.738 20 0 EHADHO F[C@@H]1CCc2ccccc2[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000895690156 1024725406 /nfs/dbraw/zinc/72/54/06/1024725406.db2.gz APDBGQAWZYQPJZ-WOJBJXKFSA-N 1 3 325.431 3.666 20 0 EHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657310401 1024975635 /nfs/dbraw/zinc/97/56/35/1024975635.db2.gz MDJVCYYFILFWTE-KRWDZBQOSA-N 1 3 343.540 3.531 20 0 EHADHO CCN1CCC([NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168011796 1025022266 /nfs/dbraw/zinc/02/22/66/1025022266.db2.gz SNDVSTODYSTESX-QZTJIDSGSA-N 1 3 329.532 3.502 20 0 EHADHO CC(C)N1CC[C@H]([NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)C1 ZINC001168012568 1025116007 /nfs/dbraw/zinc/11/60/07/1025116007.db2.gz CDKIYCSHOKKNEQ-GGPKGHCWSA-N 1 3 329.532 3.500 20 0 EHADHO COCC[NH+]1CCC(NCc2ccc(-c3cccs3)cc2)CC1 ZINC000657331326 1025238060 /nfs/dbraw/zinc/23/80/60/1025238060.db2.gz YILSRHNHUUCETC-UHFFFAOYSA-N 1 3 330.497 3.616 20 0 EHADHO C[NH+](C)CCOc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436275646 1025544028 /nfs/dbraw/zinc/54/40/28/1025544028.db2.gz PKSAVTNUOSSOBY-UHFFFAOYSA-N 1 3 341.430 3.537 20 0 EHADHO CC(C)Sc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442872411 1025545165 /nfs/dbraw/zinc/54/51/65/1025545165.db2.gz NISDYSBPNUMONJ-QGZVFWFLSA-N 1 3 349.588 3.864 20 0 EHADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442888415 1025571849 /nfs/dbraw/zinc/57/18/49/1025571849.db2.gz GQIZTSWVXKSYAR-FQEVSTJZSA-N 1 3 331.548 3.698 20 0 EHADHO C[C@H]1CC(N2CC3(C2)CCOCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168052420 1025970990 /nfs/dbraw/zinc/97/09/90/1025970990.db2.gz KTLOPGUURRKWGD-ROUUACIJSA-N 1 3 328.500 3.540 20 0 EHADHO COCc1csc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000657428870 1026250285 /nfs/dbraw/zinc/25/02/85/1026250285.db2.gz CGMURTXXVOTOBH-QFBILLFUSA-N 1 3 344.524 3.895 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901495 1026386772 /nfs/dbraw/zinc/38/67/72/1026386772.db2.gz DHJUQSMWDGYVLK-OCCSQVGLSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000530901495 1026386783 /nfs/dbraw/zinc/38/67/83/1026386783.db2.gz DHJUQSMWDGYVLK-OCCSQVGLSA-N 1 3 343.284 3.893 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378166 1026841851 /nfs/dbraw/zinc/84/18/51/1026841851.db2.gz DDHFJWMIGGFMRL-BBRMVZONSA-N 1 3 325.294 3.754 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000531378166 1026841861 /nfs/dbraw/zinc/84/18/61/1026841861.db2.gz DDHFJWMIGGFMRL-BBRMVZONSA-N 1 3 325.294 3.754 20 0 EHADHO Cc1ccc([C@@H](C)C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000628337581 1027167292 /nfs/dbraw/zinc/16/72/92/1027167292.db2.gz LBHYOVZVFLSQEM-IBGZPJMESA-N 1 3 337.511 3.995 20 0 EHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000075860065 1027200953 /nfs/dbraw/zinc/20/09/53/1027200953.db2.gz YHZGKQQOUQRWBM-OAHLLOKOSA-N 1 3 348.516 3.537 20 0 EHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000075860065 1027200966 /nfs/dbraw/zinc/20/09/66/1027200966.db2.gz YHZGKQQOUQRWBM-OAHLLOKOSA-N 1 3 348.516 3.537 20 0 EHADHO Cc1ncsc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453093314 1027352713 /nfs/dbraw/zinc/35/27/13/1027352713.db2.gz FSJCFIUXDVOAEH-OTWHNJEPSA-N 1 3 341.524 3.984 20 0 EHADHO C[C@@H](c1cccc(Br)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321909 1027469965 /nfs/dbraw/zinc/46/99/65/1027469965.db2.gz VZXFQXCRGPBZHO-BBRMVZONSA-N 1 3 337.305 3.832 20 0 EHADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3ccsc3)CC2)cc1 ZINC000420360705 1027487460 /nfs/dbraw/zinc/48/74/60/1027487460.db2.gz MBFBWWWTVRJISN-SFHVURJKSA-N 1 3 330.497 3.679 20 0 EHADHO Cc1cc(F)ccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611645 1027629468 /nfs/dbraw/zinc/62/94/68/1027629468.db2.gz AWHFRBCGNVJAEG-UHFFFAOYSA-N 1 3 327.447 3.531 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000501968222 1027671336 /nfs/dbraw/zinc/67/13/36/1027671336.db2.gz UWRLDAVIMUVJKX-FGZHOGPDSA-N 1 3 343.559 3.719 20 0 EHADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414665811 1027773574 /nfs/dbraw/zinc/77/35/74/1027773574.db2.gz VYZDOIKJWXDPCD-YJBOKZPZSA-N 1 3 328.431 3.574 20 0 EHADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422768459 1027927784 /nfs/dbraw/zinc/92/77/84/1027927784.db2.gz UPRDRMGRUNGULK-CJNGLKHVSA-N 1 3 343.284 3.628 20 0 EHADHO CCOc1cc(CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1OC ZINC000422761250 1027941210 /nfs/dbraw/zinc/94/12/10/1027941210.db2.gz QWYIVALBIKDBJX-RBUKOAKNSA-N 1 3 340.467 3.761 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCSCc1ccccc1F ZINC000422765087 1027945978 /nfs/dbraw/zinc/94/59/78/1027945978.db2.gz KJIFOBMSMRKSHI-ZDUSSCGKSA-N 1 3 333.476 3.572 20 0 EHADHO FC(F)(F)c1csc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422800862 1027950552 /nfs/dbraw/zinc/95/05/52/1027950552.db2.gz AOQGELJLRZCKLY-FRRDWIJNSA-N 1 3 347.450 3.605 20 0 EHADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1SCCc2ccccc21 ZINC000422842541 1028003361 /nfs/dbraw/zinc/00/33/61/1028003361.db2.gz YQGUEDJRKUONJM-YSSFQJQWSA-N 1 3 326.509 3.565 20 0 EHADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000422878382 1028011186 /nfs/dbraw/zinc/01/11/86/1028011186.db2.gz JAYZMFYTCGPYDD-NWDGAFQWSA-N 1 3 335.398 3.862 20 0 EHADHO Cc1ccc(-c2nc(CC[NH2+][C@@H]3C[C@H](N)c4ccccc43)co2)cc1 ZINC000422878521 1028012259 /nfs/dbraw/zinc/01/22/59/1028012259.db2.gz KDASMMMCRRKLQE-VQTJNVASSA-N 1 3 333.435 3.927 20 0 EHADHO CSc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422885121 1028018453 /nfs/dbraw/zinc/01/84/53/1028018453.db2.gz YCNUMXOOGVBBBG-AZUAARDMSA-N 1 3 340.492 3.754 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913321 1028045485 /nfs/dbraw/zinc/04/54/85/1028045485.db2.gz YFYGSAIYZOJIPK-OXJNMPFZSA-N 1 3 344.547 3.544 20 0 EHADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422913321 1028045502 /nfs/dbraw/zinc/04/55/02/1028045502.db2.gz YFYGSAIYZOJIPK-OXJNMPFZSA-N 1 3 344.547 3.544 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000422914998 1028048665 /nfs/dbraw/zinc/04/86/65/1028048665.db2.gz AEUWSRLOZWYUGI-QWHCGFSZSA-N 1 3 333.863 3.620 20 0 EHADHO CCCCOc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422896259 1028053713 /nfs/dbraw/zinc/05/37/13/1028053713.db2.gz HXPWPVQMLUMRPW-MRXNPFEDSA-N 1 3 341.499 3.921 20 0 EHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422968457 1028093152 /nfs/dbraw/zinc/09/31/52/1028093152.db2.gz QYSIWVXDQYXCNA-QGZVFWFLSA-N 1 3 338.499 3.577 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Sc1ccc(Br)cc1 ZINC000422959693 1028098718 /nfs/dbraw/zinc/09/87/18/1028098718.db2.gz TYQKXTONSWPWMU-TYNCELHUSA-N 1 3 343.334 3.647 20 0 EHADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000422959693 1028098741 /nfs/dbraw/zinc/09/87/41/1028098741.db2.gz TYQKXTONSWPWMU-TYNCELHUSA-N 1 3 343.334 3.647 20 0 EHADHO C[C@H]([NH3+])C[C@H](C)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000422994722 1028103047 /nfs/dbraw/zinc/10/30/47/1028103047.db2.gz IOTIPRKVNYNGAZ-GJZGRUSLSA-N 1 3 332.438 3.834 20 0 EHADHO C[C@@H]([NH3+])C[C@@H](C)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000422994723 1028103387 /nfs/dbraw/zinc/10/33/87/1028103387.db2.gz IOTIPRKVNYNGAZ-HUUCEWRRSA-N 1 3 332.438 3.834 20 0 EHADHO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000423011364 1028123712 /nfs/dbraw/zinc/12/37/12/1028123712.db2.gz AYFVJHLCOSFAQH-BBLUDWJGSA-N 1 3 326.440 3.506 20 0 EHADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011917 1028124996 /nfs/dbraw/zinc/12/49/96/1028124996.db2.gz JQDDZAJBODASBI-CXAGYDPISA-N 1 3 349.931 3.984 20 0 EHADHO COCc1nc(CN[C@H](C)CCCC[NH3+])c(-c2ccccc2)s1 ZINC000423103383 1028185579 /nfs/dbraw/zinc/18/55/79/1028185579.db2.gz PHTLYBSLVRPXKS-CQSZACIVSA-N 1 3 333.501 3.564 20 0 EHADHO [NH3+]C1CCC(N[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000423230344 1028293889 /nfs/dbraw/zinc/29/38/89/1028293889.db2.gz JAZBIFSCGNOVPV-DQPZFDDXSA-N 1 3 349.272 3.991 20 0 EHADHO C[C@@H]1CCCC[C@H]1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000414725028 1028295750 /nfs/dbraw/zinc/29/57/50/1028295750.db2.gz UOEATQOFEWUVRF-IKGGRYGDSA-N 1 3 333.545 3.914 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423286043 1028325982 /nfs/dbraw/zinc/32/59/82/1028325982.db2.gz ZHUHMPOMYGYION-BJJXKVORSA-N 1 3 330.501 3.682 20 0 EHADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423291443 1028327818 /nfs/dbraw/zinc/32/78/18/1028327818.db2.gz IICLEOWLDYYDNC-UONOGXRCSA-N 1 3 337.467 3.787 20 0 EHADHO [NH3+]CCCCN[C@@H](c1ccccc1)c1ccccc1Br ZINC000423326444 1028364033 /nfs/dbraw/zinc/36/40/33/1028364033.db2.gz MGQKWXQFLSKAPD-KRWDZBQOSA-N 1 3 333.273 3.867 20 0 EHADHO Clc1ccc2c(c1Cl)OCCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423331214 1028367558 /nfs/dbraw/zinc/36/75/58/1028367558.db2.gz CONZLCUKOHSDGC-AWEZNQCLSA-N 1 3 327.255 3.716 20 0 EHADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423479456 1028462477 /nfs/dbraw/zinc/46/24/77/1028462477.db2.gz VHRCIEVOVRPASM-ABAIWWIYSA-N 1 3 336.277 3.635 20 0 EHADHO C[C@H]1CC2(CN1Cc1coc(-c3cccc(Cl)c3)n1)CC[NH2+]CC2 ZINC000424298279 1028938105 /nfs/dbraw/zinc/93/81/05/1028938105.db2.gz UGQMRSDUZPXVJE-AWEZNQCLSA-N 1 3 345.874 3.959 20 0 EHADHO CCOC1CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000249161568 1028992283 /nfs/dbraw/zinc/99/22/83/1028992283.db2.gz ZXXFLIBFFUEHGT-NPRSCZTNSA-N 1 3 342.527 3.692 20 0 EHADHO O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000245689382 1029010095 /nfs/dbraw/zinc/01/00/95/1029010095.db2.gz KBWJOKMVOUEWCU-IYWMVGAKSA-N 1 3 342.508 3.567 20 0 EHADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414802135 1029204554 /nfs/dbraw/zinc/20/45/54/1029204554.db2.gz BETHPNGCOSNLIC-LLVKDONJSA-N 1 3 331.273 3.626 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000161668454 1029261278 /nfs/dbraw/zinc/26/12/78/1029261278.db2.gz GEOSMBRPGVGTSJ-HDICACEKSA-N 1 3 325.500 3.793 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3cccn3C)cc2)C1 ZINC000161668454 1029261297 /nfs/dbraw/zinc/26/12/97/1029261297.db2.gz GEOSMBRPGVGTSJ-HDICACEKSA-N 1 3 325.500 3.793 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000414808491 1029272564 /nfs/dbraw/zinc/27/25/64/1029272564.db2.gz KSKBMEFJNFTREZ-CYBMUJFWSA-N 1 3 338.373 3.937 20 0 EHADHO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272164178 1029340895 /nfs/dbraw/zinc/34/08/95/1029340895.db2.gz GNFISHKJWROWOJ-XLIONFOSSA-N 1 3 348.494 3.574 20 0 EHADHO Cc1cc(N2CCN(C(C)C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524848188 1029562663 /nfs/dbraw/zinc/56/26/63/1029562663.db2.gz JHCBIUMGUXQARE-UHFFFAOYSA-N 1 3 335.398 3.675 20 0 EHADHO COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000481743002 1029901108 /nfs/dbraw/zinc/90/11/08/1029901108.db2.gz XFVSLNVPSBSNGH-UHFFFAOYSA-N 1 3 346.515 3.633 20 0 EHADHO Cc1scc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000635024484 1030014518 /nfs/dbraw/zinc/01/45/18/1030014518.db2.gz YVSVQLCBQMHUJQ-MJGOQNOKSA-N 1 3 328.481 3.710 20 0 EHADHO C[C@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000481923657 1030124216 /nfs/dbraw/zinc/12/42/16/1030124216.db2.gz RCNJQAFRZYINBX-HUUCEWRRSA-N 1 3 328.422 3.958 20 0 EHADHO c1ccc([C@@H](CC2CC2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000531969544 1030172660 /nfs/dbraw/zinc/17/26/60/1030172660.db2.gz KZUWTWKCQVKSLK-GHTZIAJQSA-N 1 3 328.500 3.618 20 0 EHADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ncc(Br)cc1F ZINC000453404760 1030212135 /nfs/dbraw/zinc/21/21/35/1030212135.db2.gz PTDSGRWJSIIAAX-LLVKDONJSA-N 1 3 344.272 3.508 20 0 EHADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ncc(Br)cc1F ZINC000453404760 1030212152 /nfs/dbraw/zinc/21/21/52/1030212152.db2.gz PTDSGRWJSIIAAX-LLVKDONJSA-N 1 3 344.272 3.508 20 0 EHADHO C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1[C@@H](C)CC[C@@H]1C ZINC000092139709 1030389410 /nfs/dbraw/zinc/38/94/10/1030389410.db2.gz YBFRATSNZANDHJ-BZSNNMDCSA-N 1 3 343.515 3.525 20 0 EHADHO C[C@@H](N[C@H]1CCc2c1cccc2O)c1cccc(OCC[NH+](C)C)c1 ZINC000130359954 1030727748 /nfs/dbraw/zinc/72/77/48/1030727748.db2.gz KGXBXANHQLDUHP-QRWLVFNGSA-N 1 3 340.467 3.671 20 0 EHADHO CC1=CC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000550887448 1030764767 /nfs/dbraw/zinc/76/47/67/1030764767.db2.gz QTKVZYAROWHOEP-QFIPXVFZSA-N 1 3 341.543 3.673 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168094861 1030983680 /nfs/dbraw/zinc/98/36/80/1030983680.db2.gz XNLLVFNHCSIOIV-DNVCBOLYSA-N 1 3 336.907 3.709 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC001168094863 1030985108 /nfs/dbraw/zinc/98/51/08/1030985108.db2.gz XNLLVFNHCSIOIV-HNAYVOBHSA-N 1 3 336.907 3.709 20 0 EHADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000926905036 1031040053 /nfs/dbraw/zinc/04/00/53/1031040053.db2.gz LAYLCCSMTFTASO-HZPDHXFCSA-N 1 3 336.442 3.587 20 0 EHADHO c1ccc(COCCC2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000903140209 1031249447 /nfs/dbraw/zinc/24/94/47/1031249447.db2.gz AOGXUWBPVNBWPS-VCSGRIEYSA-N 1 3 340.511 3.873 20 0 EHADHO c1ccc(COCCC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903140209 1031249455 /nfs/dbraw/zinc/24/94/55/1031249455.db2.gz AOGXUWBPVNBWPS-VCSGRIEYSA-N 1 3 340.511 3.873 20 0 EHADHO c1ccc(N2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000132800878 1031421907 /nfs/dbraw/zinc/42/19/07/1031421907.db2.gz HKZYKXUHOBSKJU-UHFFFAOYSA-N 1 3 327.516 3.652 20 0 EHADHO COc1ccc(C2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000666995294 1031448967 /nfs/dbraw/zinc/44/89/67/1031448967.db2.gz JUNWSQDSVMWQFD-NKELODKYSA-N 1 3 328.500 3.986 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000194872460 1031578727 /nfs/dbraw/zinc/57/87/27/1031578727.db2.gz BJWXQCDEUNYCNX-ZACQAIPSSA-N 1 3 336.545 3.949 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925216487 1031778321 /nfs/dbraw/zinc/77/83/21/1031778321.db2.gz JSSMOBRLDFQHHU-MRXNPFEDSA-N 1 3 330.516 3.972 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000536652095 1032038068 /nfs/dbraw/zinc/03/80/68/1032038068.db2.gz FZNNCLIXJYGOGZ-UHFFFAOYSA-N 1 3 330.476 3.530 20 0 EHADHO Cc1ccc(-c2n[nH]cc2CN2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000536652095 1032038087 /nfs/dbraw/zinc/03/80/87/1032038087.db2.gz FZNNCLIXJYGOGZ-UHFFFAOYSA-N 1 3 330.476 3.530 20 0 EHADHO CC1CC[NH+](Cc2ccccc2CN[C@@H]2COC3(CCC3)C2)CC1 ZINC000657837433 1032039215 /nfs/dbraw/zinc/03/92/15/1032039215.db2.gz FVJOYBVRKJZAQG-FQEVSTJZSA-N 1 3 328.500 3.720 20 0 EHADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685459925 1033353136 /nfs/dbraw/zinc/35/31/36/1033353136.db2.gz BIPSDBSTGCFJJI-UHFFFAOYSA-N 1 3 340.471 3.607 20 0 EHADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685459925 1033353147 /nfs/dbraw/zinc/35/31/47/1033353147.db2.gz BIPSDBSTGCFJJI-UHFFFAOYSA-N 1 3 340.471 3.607 20 0 EHADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001168413799 1033428801 /nfs/dbraw/zinc/42/88/01/1033428801.db2.gz AUPLLKKMAWNFAT-NRFANRHFSA-N 1 3 330.491 3.927 20 0 EHADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000548849749 1033618470 /nfs/dbraw/zinc/61/84/70/1033618470.db2.gz NHIIYROGHZKNAR-UHFFFAOYSA-N 1 3 345.575 3.832 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000548849749 1033618477 /nfs/dbraw/zinc/61/84/77/1033618477.db2.gz NHIIYROGHZKNAR-UHFFFAOYSA-N 1 3 345.575 3.832 20 0 EHADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccc(Oc3cccnc3)cc2)C1 ZINC000489798235 1033685431 /nfs/dbraw/zinc/68/54/31/1033685431.db2.gz DXLPWYSFZRFKPB-RZQQEMMASA-N 1 3 325.456 3.865 20 0 EHADHO CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccc(Oc3cccnc3)cc2)C1 ZINC000489798235 1033685435 /nfs/dbraw/zinc/68/54/35/1033685435.db2.gz DXLPWYSFZRFKPB-RZQQEMMASA-N 1 3 325.456 3.865 20 0 EHADHO CN(C)[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000550621626 1033742794 /nfs/dbraw/zinc/74/27/94/1033742794.db2.gz MNCQOCZXMKAITA-BHDDXSALSA-N 1 3 343.559 3.922 20 0 EHADHO FC(F)(F)[C@H]1CC[C@@H](CN2CCC(CCC[NH+]3CCCC3)CC2)O1 ZINC001168316307 1033992355 /nfs/dbraw/zinc/99/23/55/1033992355.db2.gz AJJSWEKDSFQHQT-DLBZAZTESA-N 1 3 348.453 3.684 20 0 EHADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC[C@H]3C3CC3)CC2)ccn1 ZINC000658166067 1034028969 /nfs/dbraw/zinc/02/89/69/1034028969.db2.gz MGUVTGQVBKDJIJ-SFTDATJTSA-N 1 3 327.516 3.852 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OCC)[C@H](C)C1 ZINC000119238937 1034119181 /nfs/dbraw/zinc/11/91/81/1034119181.db2.gz JGYODJZOKITTTN-QUCCMNQESA-N 1 3 348.531 3.620 20 0 EHADHO Cc1sc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1Br ZINC000227838233 1034294007 /nfs/dbraw/zinc/29/40/07/1034294007.db2.gz DJWGPYHINCHPOY-YHWZYXNKSA-N 1 3 343.334 3.924 20 0 EHADHO Cc1sc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Br ZINC000227838233 1034294019 /nfs/dbraw/zinc/29/40/19/1034294019.db2.gz DJWGPYHINCHPOY-YHWZYXNKSA-N 1 3 343.334 3.924 20 0 EHADHO Cc1sc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000227838233 1034294030 /nfs/dbraw/zinc/29/40/30/1034294030.db2.gz DJWGPYHINCHPOY-YHWZYXNKSA-N 1 3 343.334 3.924 20 0 EHADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000569743653 1034646944 /nfs/dbraw/zinc/64/69/44/1034646944.db2.gz BHFWGCLDZIGCNK-ZAAXVRCTSA-N 1 3 337.467 3.859 20 0 EHADHO COCc1ccccc1/C=C(\C)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000511416564 1035379299 /nfs/dbraw/zinc/37/92/99/1035379299.db2.gz TWESKFYNMVEGRG-WIGNEUMVSA-N 1 3 328.500 3.841 20 0 EHADHO COCc1ccccc1/C=C(\C)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000511416564 1035379305 /nfs/dbraw/zinc/37/93/05/1035379305.db2.gz TWESKFYNMVEGRG-WIGNEUMVSA-N 1 3 328.500 3.841 20 0 EHADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000178035709 1035570676 /nfs/dbraw/zinc/57/06/76/1035570676.db2.gz VDRWWRJJYGMTRV-QKLQHJQFSA-N 1 3 346.515 3.552 20 0 EHADHO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000588204818 1035821984 /nfs/dbraw/zinc/82/19/84/1035821984.db2.gz ZGQDUYWPIIKTFW-SJORKVTESA-N 1 3 338.536 3.599 20 0 EHADHO C[N@@H+]1CCC[C@H](CCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174817 1035891803 /nfs/dbraw/zinc/89/18/03/1035891803.db2.gz GWSRWSNDQZGEIX-UZLBHIALSA-N 1 3 327.447 3.632 20 0 EHADHO C[N@H+]1CCC[C@H](CCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174817 1035891819 /nfs/dbraw/zinc/89/18/19/1035891819.db2.gz GWSRWSNDQZGEIX-UZLBHIALSA-N 1 3 327.447 3.632 20 0 EHADHO C[C@@H](CCc1ccccc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709923 1035979739 /nfs/dbraw/zinc/97/97/39/1035979739.db2.gz GFEUSKODTRRXAB-SLFFLAALSA-N 1 3 344.543 3.829 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cc(OC)cc(C)n2)CC1 ZINC000542017687 1036966647 /nfs/dbraw/zinc/96/66/47/1036966647.db2.gz NXBGIZZHJNMDSX-UHFFFAOYSA-N 1 3 333.520 3.733 20 0 EHADHO C[C@@H](Cc1ccsc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000542153840 1037119187 /nfs/dbraw/zinc/11/91/87/1037119187.db2.gz BCVVNVMIXINCJY-GVDBMIGSSA-N 1 3 336.545 3.500 20 0 EHADHO COc1cc2c(cc1OC)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000423295930 1037204611 /nfs/dbraw/zinc/20/46/11/1037204611.db2.gz XURMFQMCJQOZDG-SCLBCKFNSA-N 1 3 326.440 3.501 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000540170733 1037639362 /nfs/dbraw/zinc/63/93/62/1037639362.db2.gz VJCAUEPLLOTPGQ-CEXWTWQISA-N 1 3 332.532 3.832 20 0 EHADHO C[C@@H]1C[C@H](NCCOc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463082405 1037726638 /nfs/dbraw/zinc/72/66/38/1037726638.db2.gz NGTGRRDGJPABBZ-YLJYHZDGSA-N 1 3 342.458 3.847 20 0 EHADHO C[C@@H]1C[C@H](NCCOc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463082405 1037726655 /nfs/dbraw/zinc/72/66/55/1037726655.db2.gz NGTGRRDGJPABBZ-YLJYHZDGSA-N 1 3 342.458 3.847 20 0 EHADHO Fc1ccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463083706 1037757315 /nfs/dbraw/zinc/75/73/15/1037757315.db2.gz HLQYDUORVDPRGC-UHFFFAOYSA-N 1 3 342.458 3.501 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCC(C)CC1 ZINC000463119591 1037784859 /nfs/dbraw/zinc/78/48/59/1037784859.db2.gz PJPLGISGYCYQMQ-SJBKTWHCSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000479249330 1037830230 /nfs/dbraw/zinc/83/02/30/1037830230.db2.gz HJQHOCAOYYKRRX-XYPHTWIQSA-N 1 3 339.321 3.843 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000479249329 1037831369 /nfs/dbraw/zinc/83/13/69/1037831369.db2.gz HJQHOCAOYYKRRX-XOKHGSTOSA-N 1 3 339.321 3.843 20 0 EHADHO CCOCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183130307 1037933463 /nfs/dbraw/zinc/93/34/63/1037933463.db2.gz CQDHYSPZQYOSQZ-PCCBWWKXSA-N 1 3 330.516 3.693 20 0 EHADHO OC1(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000552063661 1038928912 /nfs/dbraw/zinc/92/89/12/1038928912.db2.gz HPJGIGLXXVOUOD-QHAWAJNXSA-N 1 3 342.527 3.572 20 0 EHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000552283901 1039136494 /nfs/dbraw/zinc/13/64/94/1039136494.db2.gz MCYNKCAPQAEIFL-MLNNCEHLSA-N 1 3 342.527 3.693 20 0 EHADHO CN1CCC[C@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356159 1039206197 /nfs/dbraw/zinc/20/61/97/1039206197.db2.gz GCOMEFMZXNAPJT-NRFANRHFSA-N 1 3 328.500 3.926 20 0 EHADHO CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000552356159 1039206215 /nfs/dbraw/zinc/20/62/15/1039206215.db2.gz GCOMEFMZXNAPJT-NRFANRHFSA-N 1 3 328.500 3.926 20 0 EHADHO Clc1cccc(CC[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000668512078 1039218172 /nfs/dbraw/zinc/21/81/72/1039218172.db2.gz JKBFVZHMNKFINI-UHFFFAOYSA-N 1 3 343.902 3.779 20 0 EHADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222991 1039323778 /nfs/dbraw/zinc/32/37/78/1039323778.db2.gz IJWWEFZLZZKSCA-GCJKJVERSA-N 1 3 349.522 3.679 20 0 EHADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000480222991 1039323796 /nfs/dbraw/zinc/32/37/96/1039323796.db2.gz IJWWEFZLZZKSCA-GCJKJVERSA-N 1 3 349.522 3.679 20 0 EHADHO c1ccc2c(c1)snc2CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000659843208 1039664306 /nfs/dbraw/zinc/66/43/06/1039664306.db2.gz NEUOBUXVGXLGPK-UHFFFAOYSA-N 1 3 329.513 3.647 20 0 EHADHO CC(C)N1CCC([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000152962519 1039825376 /nfs/dbraw/zinc/82/53/76/1039825376.db2.gz JDRTXCWGAZTSSJ-OAQYLSRUSA-N 1 3 329.532 3.504 20 0 EHADHO c1ccc(Oc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)nc1 ZINC001168364478 1039996003 /nfs/dbraw/zinc/99/60/03/1039996003.db2.gz DGKXMXYUXKPGGE-UHFFFAOYSA-N 1 3 337.467 3.838 20 0 EHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786212 1040191836 /nfs/dbraw/zinc/19/18/36/1040191836.db2.gz LCFXSAZNBBIPLQ-TYCQWZJGSA-N 1 3 328.500 3.576 20 0 EHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786212 1040191851 /nfs/dbraw/zinc/19/18/51/1040191851.db2.gz LCFXSAZNBBIPLQ-TYCQWZJGSA-N 1 3 328.500 3.576 20 0 EHADHO CC(C)c1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000660278300 1040222478 /nfs/dbraw/zinc/22/24/78/1040222478.db2.gz YEQZFJIJXOZYSS-UHFFFAOYSA-N 1 3 343.559 3.660 20 0 EHADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CO1 ZINC000417916472 1040320942 /nfs/dbraw/zinc/32/09/42/1040320942.db2.gz VGBKACMPIBYPBZ-KRWDZBQOSA-N 1 3 336.907 3.709 20 0 EHADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500104830 1040516220 /nfs/dbraw/zinc/51/62/20/1040516220.db2.gz QKASALIBXSBZMR-QFIPXVFZSA-N 1 3 345.575 3.664 20 0 EHADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500104830 1040516238 /nfs/dbraw/zinc/51/62/38/1040516238.db2.gz QKASALIBXSBZMR-QFIPXVFZSA-N 1 3 345.575 3.664 20 0 EHADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CO)CC3(CCC3)C2)CC1 ZINC000433087320 1040699294 /nfs/dbraw/zinc/69/92/94/1040699294.db2.gz IOMFKTBQZHKPFD-MJGOQNOKSA-N 1 3 334.548 3.562 20 0 EHADHO C[NH+](C)CCCC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759853550 1041156573 /nfs/dbraw/zinc/15/65/73/1041156573.db2.gz WFIJCWDTLZLCLF-GOSISDBHSA-N 1 3 342.886 3.566 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000429803116 1041322333 /nfs/dbraw/zinc/32/23/33/1041322333.db2.gz MBOYKXNHVWJZKH-YLJYHZDGSA-N 1 3 334.504 3.516 20 0 EHADHO CCCOc1ccc(OCCN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000429803116 1041322341 /nfs/dbraw/zinc/32/23/41/1041322341.db2.gz MBOYKXNHVWJZKH-YLJYHZDGSA-N 1 3 334.504 3.516 20 0 EHADHO C[C@H](COCC1CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000652287107 1042309810 /nfs/dbraw/zinc/30/98/10/1042309810.db2.gz NPLBCLPFGRCYTE-RZXSNQJFSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H](COCC1CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652287107 1042309813 /nfs/dbraw/zinc/30/98/13/1042309813.db2.gz NPLBCLPFGRCYTE-RZXSNQJFSA-N 1 3 328.500 3.587 20 0 EHADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348070 1042406588 /nfs/dbraw/zinc/40/65/88/1042406588.db2.gz TVLAVTZWLLKQQQ-PXMRGAAZSA-N 1 3 340.870 3.758 20 0 EHADHO [NH3+]CC[C@H]1CCCN(Cc2oc3ccccc3c2Br)C1 ZINC000662273160 1042648106 /nfs/dbraw/zinc/64/81/06/1042648106.db2.gz UKIGTTWVSDJBJV-GFCCVEGCSA-N 1 3 337.261 3.756 20 0 EHADHO C[C@@H]1C[N@@H+](CCCCNCc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000062253096 1042667898 /nfs/dbraw/zinc/66/78/98/1042667898.db2.gz FHDLNFUVGGIWJV-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO C[C@@H]1C[N@H+](CCCCNCc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000062253096 1042667901 /nfs/dbraw/zinc/66/79/01/1042667901.db2.gz FHDLNFUVGGIWJV-OKILXGFUSA-N 1 3 345.314 3.972 20 0 EHADHO c1ccc([C@H](C[C@@H]2CCOC2)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469521 1042899358 /nfs/dbraw/zinc/89/93/58/1042899358.db2.gz QARBGGOVPNLVHC-ONTIZHBOSA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@@H]2CCOC2)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469521 1042899364 /nfs/dbraw/zinc/89/93/64/1042899364.db2.gz QARBGGOVPNLVHC-ONTIZHBOSA-N 1 3 342.527 3.866 20 0 EHADHO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663469521 1042899370 /nfs/dbraw/zinc/89/93/70/1042899370.db2.gz QARBGGOVPNLVHC-ONTIZHBOSA-N 1 3 342.527 3.866 20 0 EHADHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000925780774 1042930618 /nfs/dbraw/zinc/93/06/18/1042930618.db2.gz GPKKPOAPNSLKLP-GWCFXTLKSA-N 1 3 332.847 3.711 20 0 EHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925786952 1042979010 /nfs/dbraw/zinc/97/90/10/1042979010.db2.gz YCTDDSAAZJBUGT-PWSUYJOCSA-N 1 3 331.476 3.644 20 0 EHADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000344036647 1043138506 /nfs/dbraw/zinc/13/85/06/1043138506.db2.gz VEBZPZMIPKAIFT-NRFANRHFSA-N 1 3 342.458 3.933 20 0 EHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418627 1043143291 /nfs/dbraw/zinc/14/32/91/1043143291.db2.gz UBQHRFHNRMCADN-JXXFODFXSA-N 1 3 334.479 3.540 20 0 EHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418627 1043143297 /nfs/dbraw/zinc/14/32/97/1043143297.db2.gz UBQHRFHNRMCADN-JXXFODFXSA-N 1 3 334.479 3.540 20 0 EHADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426778 1043177266 /nfs/dbraw/zinc/17/72/66/1043177266.db2.gz UYSKTUPOKXDHMM-HUUCEWRRSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000432426778 1043177272 /nfs/dbraw/zinc/17/72/72/1043177272.db2.gz UYSKTUPOKXDHMM-HUUCEWRRSA-N 1 3 344.421 3.857 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344066678 1043192974 /nfs/dbraw/zinc/19/29/74/1043192974.db2.gz QQBKNAUSIOSHDM-GQIGUUNPSA-N 1 3 334.479 3.682 20 0 EHADHO C[C@@H]1C[N@@H+](CC2CCN(C/C=C/c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512176675 1043648250 /nfs/dbraw/zinc/64/82/50/1043648250.db2.gz DJYSTOOWZGRXID-GEWVGOBGSA-N 1 3 346.490 3.660 20 0 EHADHO C[C@@H]1C[N@H+](CC2CCN(C/C=C/c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512176675 1043648257 /nfs/dbraw/zinc/64/82/57/1043648257.db2.gz DJYSTOOWZGRXID-GEWVGOBGSA-N 1 3 346.490 3.660 20 0 EHADHO C[NH+]1CCC(CNCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000893668932 1043785399 /nfs/dbraw/zinc/78/53/99/1043785399.db2.gz RWZYWCPCPFJOFQ-UHFFFAOYSA-N 1 3 341.480 3.988 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@H]2CCCOCC2)cc1CN1CCCCC1 ZINC000183343719 1125535718 /nfs/dbraw/zinc/53/57/18/1125535718.db2.gz MKFVCIDCZXHYTM-PXNSSMCTSA-N 1 3 346.515 3.901 20 0 EHADHO CC(C)[C@H](CN[C@@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCCC1 ZINC000339068525 1126839344 /nfs/dbraw/zinc/83/93/44/1126839344.db2.gz QQANTQNZLGFCRD-GIVPXCGWSA-N 1 3 330.516 3.864 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623382296 1126941014 /nfs/dbraw/zinc/94/10/14/1126941014.db2.gz ANSZOFXDNPACOC-UHFFFAOYSA-N 1 3 332.488 3.591 20 0 EHADHO COC[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000182454678 1127330704 /nfs/dbraw/zinc/33/07/04/1127330704.db2.gz PDRLVURYQFFWEL-IBGZPJMESA-N 1 3 340.458 3.754 20 0 EHADHO CCC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000185054810 1127419572 /nfs/dbraw/zinc/41/95/72/1127419572.db2.gz ORGRZQZSIKANAT-FQEVSTJZSA-N 1 3 327.472 3.653 20 0 EHADHO COc1ccc(OCCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000185758811 1127431300 /nfs/dbraw/zinc/43/13/00/1127431300.db2.gz FUVOFRWECQSSPN-ZWKOTPCHSA-N 1 3 346.515 3.707 20 0 EHADHO CSC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000381781110 1127492888 /nfs/dbraw/zinc/49/28/88/1127492888.db2.gz ZOCSJOZIOFMOAN-IPMKNSEASA-N 1 3 330.541 3.772 20 0 EHADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000385980828 1127617986 /nfs/dbraw/zinc/61/79/86/1127617986.db2.gz RAVKJVASNARCHG-RTWAWAEBSA-N 1 3 342.527 3.980 20 0 EHADHO COc1ccc([C@H]2C[C@@H]([NH2+]CCCN3CCC(C)CC3)CCO2)cc1 ZINC001168584858 1128104243 /nfs/dbraw/zinc/10/42/43/1128104243.db2.gz OCTUDOKVDOSIHL-PZJWPPBQSA-N 1 3 346.515 3.627 20 0 EHADHO COc1ccc([C@H]2C[C@H]([N@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591225 1128179058 /nfs/dbraw/zinc/17/90/58/1128179058.db2.gz UMCFXFOOPVJUGV-TZIWHRDSSA-N 1 3 346.515 3.899 20 0 EHADHO COc1ccc([C@H]2C[C@H]([N@@H+](CCCN)C3CCCCC3)CCO2)cc1 ZINC001168591225 1128179060 /nfs/dbraw/zinc/17/90/60/1128179060.db2.gz UMCFXFOOPVJUGV-TZIWHRDSSA-N 1 3 346.515 3.899 20 0 EHADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000475279009 1128711740 /nfs/dbraw/zinc/71/17/40/1128711740.db2.gz IRXYJLNEWCAIQT-MDNUFGMLSA-N 1 3 349.522 3.823 20 0 EHADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001648814381 1120046838 /nfs/dbraw/zinc/04/68/38/1120046838.db2.gz KKICHGYNLBZVMP-SIKLNZKXSA-N 1 3 343.559 3.740 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCCS4)[C@H]3C2)cc1 ZINC000542484394 1120572505 /nfs/dbraw/zinc/57/25/05/1120572505.db2.gz YPFSXSRWMNUEEG-YRPNKDGESA-N 1 3 330.541 3.772 20 0 EHADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001168467127 1120666007 /nfs/dbraw/zinc/66/60/07/1120666007.db2.gz GFCYGSDXMGFWMP-KRWDZBQOSA-N 1 3 341.474 3.654 20 0 EHADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000191605336 1120681469 /nfs/dbraw/zinc/68/14/69/1120681469.db2.gz FIHYRZXDXKPTAQ-HXUWFJFHSA-N 1 3 349.950 3.797 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891874 1120893643 /nfs/dbraw/zinc/89/36/43/1120893643.db2.gz QXAIIFJQIDRGBY-SJLPKXTDSA-N 1 3 333.524 3.528 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494891874 1120893646 /nfs/dbraw/zinc/89/36/46/1120893646.db2.gz QXAIIFJQIDRGBY-SJLPKXTDSA-N 1 3 333.524 3.528 20 0 EHADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650371 1121396567 /nfs/dbraw/zinc/39/65/67/1121396567.db2.gz QJOIKKCCQFPCHR-PXNSSMCTSA-N 1 3 346.515 3.553 20 0 EHADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000762650371 1121396575 /nfs/dbraw/zinc/39/65/75/1121396575.db2.gz QJOIKKCCQFPCHR-PXNSSMCTSA-N 1 3 346.515 3.553 20 0 EHADHO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000495897200 1121562372 /nfs/dbraw/zinc/56/23/72/1121562372.db2.gz KQLDWMPDGDMMOV-IKGGRYGDSA-N 1 3 341.540 3.532 20 0 EHADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000556233821 1122886958 /nfs/dbraw/zinc/88/69/58/1122886958.db2.gz SIXGWJFQTOXIKM-GHTZIAJQSA-N 1 3 342.527 3.693 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc(C)c1F ZINC000133180733 1123356381 /nfs/dbraw/zinc/35/63/81/1123356381.db2.gz SHTJPZAWMLPPGX-IAGOWNOFSA-N 1 3 334.479 3.594 20 0 EHADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)C1 ZINC000655788739 1123588964 /nfs/dbraw/zinc/58/89/64/1123588964.db2.gz NKCCOWMNMZZNTI-SEVLPDGMSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H](C3CC3)[C@@H]3CCCCO3)CC2)C1 ZINC000655788739 1123588965 /nfs/dbraw/zinc/58/89/65/1123588965.db2.gz NKCCOWMNMZZNTI-SEVLPDGMSA-N 1 3 334.548 3.967 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)c2cccc(Br)c21 ZINC000248135986 1124642023 /nfs/dbraw/zinc/64/20/23/1124642023.db2.gz PBVUEYMBMIRPCU-XJKCOSOUSA-N 1 3 337.305 3.929 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2cccc(Br)c21 ZINC000248135986 1124642026 /nfs/dbraw/zinc/64/20/26/1124642026.db2.gz PBVUEYMBMIRPCU-XJKCOSOUSA-N 1 3 337.305 3.929 20 0 EHADHO COCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000182734072 1125362899 /nfs/dbraw/zinc/36/28/99/1125362899.db2.gz UTGBSLLBXWGIAI-DLBZAZTESA-N 1 3 334.504 3.757 20 0 EHADHO C[C@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CCCC1 ZINC000499908568 1129565555 /nfs/dbraw/zinc/56/55/55/1129565555.db2.gz JJRRWCJWBILDAJ-CQSZACIVSA-N 1 3 325.294 3.928 20 0 EHADHO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000499908568 1129565558 /nfs/dbraw/zinc/56/55/58/1129565558.db2.gz JJRRWCJWBILDAJ-CQSZACIVSA-N 1 3 325.294 3.928 20 0 EHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCCC2=O)cc1 ZINC000766045237 1129927005 /nfs/dbraw/zinc/92/70/05/1129927005.db2.gz RGARISVBUMXEHP-VQIMIIECSA-N 1 3 345.531 3.830 20 0 EHADHO CC1CC[NH+](CCC[C@@H](NC/C=C/CO)c2ccc(F)cc2)CC1 ZINC000658138484 1130191893 /nfs/dbraw/zinc/19/18/93/1130191893.db2.gz MHZQFVAIOXKIJX-ZOXCZHJPSA-N 1 3 334.479 3.517 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000766139200 1130389159 /nfs/dbraw/zinc/38/91/59/1130389159.db2.gz NKIDNLUDAMJJDY-LSTHTHJFSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000766139200 1130389166 /nfs/dbraw/zinc/38/91/66/1130389166.db2.gz NKIDNLUDAMJJDY-LSTHTHJFSA-N 1 3 344.524 3.598 20 0 EHADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001173074162 1131955706 /nfs/dbraw/zinc/95/57/06/1131955706.db2.gz CVVMGVSMCLDFME-VNQPRFMTSA-N 1 3 344.421 3.979 20 0 EHADHO CC[NH+](CC)C1CCC(N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173113187 1131970152 /nfs/dbraw/zinc/97/01/52/1131970152.db2.gz KSFPFIRTGXTPMS-CBNMVNINSA-N 1 3 330.516 3.583 20 0 EHADHO Cc1nc(F)ccc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000785485441 1132600176 /nfs/dbraw/zinc/60/01/76/1132600176.db2.gz HCODQXNFFOBVDY-HZPDHXFCSA-N 1 3 341.474 3.775 20 0 EHADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001169068621 1132650844 /nfs/dbraw/zinc/65/08/44/1132650844.db2.gz REPWDQYFMRDNET-YPAWHYETSA-N 1 3 344.543 3.877 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101102 1132655949 /nfs/dbraw/zinc/65/59/49/1132655949.db2.gz OKYDBJLRPUMBAQ-IYWMVGAKSA-N 1 3 332.463 3.508 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccc(F)cc1)C1CCOCC1)C2 ZINC001169101102 1132655953 /nfs/dbraw/zinc/65/59/53/1132655953.db2.gz OKYDBJLRPUMBAQ-IYWMVGAKSA-N 1 3 332.463 3.508 20 0 EHADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)CC1(C)C)C2 ZINC001169115578 1132672306 /nfs/dbraw/zinc/67/23/06/1132672306.db2.gz LCQXPQNEHNHHMR-PLACYPQZSA-N 1 3 341.543 3.502 20 0 EHADHO C[C@H]1CN(Cc2cc(F)c(C(F)(F)F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206004043 1132687814 /nfs/dbraw/zinc/68/78/14/1132687814.db2.gz PEELZLCRBYTXHZ-JQWIXIFHSA-N 1 3 336.348 3.790 20 0 EHADHO CN1CCC=C(Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001175579057 1132713833 /nfs/dbraw/zinc/71/38/33/1132713833.db2.gz SKSXAYORIFUEGH-HXUWFJFHSA-N 1 3 333.479 3.895 20 0 EHADHO CN1CCC=C(Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001175579057 1132713837 /nfs/dbraw/zinc/71/38/37/1132713837.db2.gz SKSXAYORIFUEGH-HXUWFJFHSA-N 1 3 333.479 3.895 20 0 EHADHO CCCN1CCc2c(N)sc(Nc3ccc(C[NH+](C)C)cc3)c2C1 ZINC001176290763 1132892360 /nfs/dbraw/zinc/89/23/60/1132892360.db2.gz RTIVVPHAEWEKTF-UHFFFAOYSA-N 1 3 344.528 3.904 20 0 EHADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500833 1133147110 /nfs/dbraw/zinc/14/71/10/1133147110.db2.gz GAAVWBPPNQOXTN-WBVHZDCISA-N 1 3 327.497 3.744 20 0 EHADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(=S)c3ccccc32)C1 ZINC000768500833 1133147112 /nfs/dbraw/zinc/14/71/12/1133147112.db2.gz GAAVWBPPNQOXTN-WBVHZDCISA-N 1 3 327.497 3.744 20 0 EHADHO CC1(N2CCOCC2)CCC([NH2+][C@@]2(C)CCCc3ccccc32)CC1 ZINC001180778129 1133415254 /nfs/dbraw/zinc/41/52/54/1133415254.db2.gz BZLNBNDMKNQGQO-VTLFHKLASA-N 1 3 342.527 3.861 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC001180811908 1133418590 /nfs/dbraw/zinc/41/85/90/1133418590.db2.gz UJZKEBCBSGRXIM-ROUUACIJSA-N 1 3 345.531 3.820 20 0 EHADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180811908 1133418593 /nfs/dbraw/zinc/41/85/93/1133418593.db2.gz UJZKEBCBSGRXIM-ROUUACIJSA-N 1 3 345.531 3.820 20 0 EHADHO Cc1nc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)cs1 ZINC000774148125 1133623073 /nfs/dbraw/zinc/62/30/73/1133623073.db2.gz PEJPUDYTOIEZDC-AYHJJNSGSA-N 1 3 327.497 3.833 20 0 EHADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N(C)C)cc1CN1CCCCC1 ZINC000775365007 1134668026 /nfs/dbraw/zinc/66/80/26/1134668026.db2.gz NYOCCHSYOZZLFU-QGZVFWFLSA-N 1 3 347.547 3.672 20 0 EHADHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CCO1 ZINC001170191947 1134703071 /nfs/dbraw/zinc/70/30/71/1134703071.db2.gz CZFDZCLACLXTKF-RTBURBONSA-N 1 3 334.479 3.585 20 0 EHADHO CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC001192262456 1134989677 /nfs/dbraw/zinc/98/96/77/1134989677.db2.gz WQVVPWGGJPSQIW-HXUWFJFHSA-N 1 3 345.531 3.766 20 0 EHADHO Cc1cccn2c(CNCc3ccc(C[NH+]4CCCCC4)cc3)cnc12 ZINC001199021542 1135872445 /nfs/dbraw/zinc/87/24/45/1135872445.db2.gz KSOQWZWVULKLFM-UHFFFAOYSA-N 1 3 348.494 3.918 20 0 EHADHO CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201730428 1136056538 /nfs/dbraw/zinc/05/65/38/1136056538.db2.gz IJJZMTKPGQQZFI-SFTDATJTSA-N 1 3 334.548 3.637 20 0 EHADHO CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201730428 1136056540 /nfs/dbraw/zinc/05/65/40/1136056540.db2.gz IJJZMTKPGQQZFI-SFTDATJTSA-N 1 3 334.548 3.637 20 0 EHADHO O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc21 ZINC000850528885 1136279466 /nfs/dbraw/zinc/27/94/66/1136279466.db2.gz NUBIXVBHAVJOFU-YCADQPJXSA-N 1 3 348.490 3.950 20 0 EHADHO C[C@H]([NH2+]CCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850569834 1136288406 /nfs/dbraw/zinc/28/84/06/1136288406.db2.gz CIUXPQPIXNYAIY-RDJZCZTQSA-N 1 3 336.570 3.683 20 0 EHADHO c1ccc([C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C2CCOCC2)cc1 ZINC000853240613 1136521674 /nfs/dbraw/zinc/52/16/74/1136521674.db2.gz PHZZKTPRPMNDNT-KNQAVFIVSA-N 1 3 342.527 3.866 20 0 EHADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000815596780 1136616959 /nfs/dbraw/zinc/61/69/59/1136616959.db2.gz DSAUIAJMDMGRON-CWFSZBLJSA-N 1 3 334.479 3.553 20 0 EHADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN([C@H]2CCCOCC2)CC1 ZINC001170798447 1136630824 /nfs/dbraw/zinc/63/08/24/1136630824.db2.gz ARFSTRMOEYMRDC-INIZCTEOSA-N 1 3 342.405 3.524 20 0 EHADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc2ccccc2c1 ZINC000817905159 1136845159 /nfs/dbraw/zinc/84/51/59/1136845159.db2.gz JXJIUWLDOJNUMH-FNAHDJPLSA-N 1 3 338.495 3.774 20 0 EHADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000818942697 1136893648 /nfs/dbraw/zinc/89/36/48/1136893648.db2.gz IIKICWUIWRKPOT-FQEVSTJZSA-N 1 3 344.886 3.759 20 0 EHADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000339009497 1136926123 /nfs/dbraw/zinc/92/61/23/1136926123.db2.gz KHQMENPEOOHQTI-UHFFFAOYSA-N 1 3 347.547 3.836 20 0 EHADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001136279882 1136966229 /nfs/dbraw/zinc/96/62/29/1136966229.db2.gz VPGUJCGJJGMGQW-FQEVSTJZSA-N 1 3 343.515 3.730 20 0 EHADHO CCN(Cc1ccc(C(F)(F)F)c(OC)c1)C1CC[NH+](C)CC1 ZINC001143351312 1137181596 /nfs/dbraw/zinc/18/15/96/1137181596.db2.gz WHFUWFUKZWKWBD-UHFFFAOYSA-N 1 3 330.394 3.630 20 0 EHADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505018 1137494741 /nfs/dbraw/zinc/49/47/41/1137494741.db2.gz BVNLSYRELFXEKF-HNNXBMFYSA-N 1 3 340.433 3.945 20 0 EHADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505018 1137494742 /nfs/dbraw/zinc/49/47/42/1137494742.db2.gz BVNLSYRELFXEKF-HNNXBMFYSA-N 1 3 340.433 3.945 20 0 EHADHO C[NH+]1C(C)(C)CC(NC[C@@H](CO)c2cccc(Cl)c2)CC1(C)C ZINC001171629506 1137499744 /nfs/dbraw/zinc/49/97/44/1137499744.db2.gz UJVUPOPRNVYQCO-HNNXBMFYSA-N 1 3 338.923 3.657 20 0 EHADHO C[NH+]1C(C)(C)CC(n2nc(-c3ccccc3)cc2CN)CC1(C)C ZINC001171620196 1137500992 /nfs/dbraw/zinc/50/09/92/1137500992.db2.gz YOSJTNOKBRFZAE-UHFFFAOYSA-N 1 3 326.488 3.833 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@H]2COCc2ccccc2)CC1(C)C ZINC001171635996 1137504371 /nfs/dbraw/zinc/50/43/71/1137504371.db2.gz BSBNDIVIQFGRES-SFHVURJKSA-N 1 3 330.516 3.929 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@H]2COCc2ccccc2)CC1(C)C ZINC001171635996 1137504373 /nfs/dbraw/zinc/50/43/73/1137504373.db2.gz BSBNDIVIQFGRES-SFHVURJKSA-N 1 3 330.516 3.929 20 0 EHADHO CC(C)(C)OC(=O)C1CCC([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001171910060 1137517862 /nfs/dbraw/zinc/51/78/62/1137517862.db2.gz BITQNFIUOXEUBL-UHFFFAOYSA-N 1 3 338.536 3.867 20 0 EHADHO CN1CCCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171967832 1137520885 /nfs/dbraw/zinc/52/08/85/1137520885.db2.gz NNOVJHINXDMKFI-VQTJNVASSA-N 1 3 329.532 3.504 20 0 EHADHO CC1(C)C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2)CCN1Cc1ccccc1 ZINC001171979658 1137525713 /nfs/dbraw/zinc/52/57/13/1137525713.db2.gz MUQKPPMHWZAZNC-UXHICEINSA-N 1 3 341.543 3.646 20 0 EHADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172079704 1137530952 /nfs/dbraw/zinc/53/09/52/1137530952.db2.gz POSXJMVDDGCTRD-IWTFSIHTSA-N 1 3 341.543 3.502 20 0 EHADHO CCOC(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)OCC ZINC001172061364 1137533250 /nfs/dbraw/zinc/53/32/50/1137533250.db2.gz GPTKBSFQIPODAI-OWZKRDHZSA-N 1 3 346.515 3.561 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128103 1137534743 /nfs/dbraw/zinc/53/47/43/1137534743.db2.gz OVDPDMDCAMKJMF-IJTOGUNISA-N 1 3 348.494 3.532 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128103 1137534745 /nfs/dbraw/zinc/53/47/45/1137534745.db2.gz OVDPDMDCAMKJMF-IJTOGUNISA-N 1 3 348.494 3.532 20 0 EHADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110982 1137537108 /nfs/dbraw/zinc/53/71/08/1137537108.db2.gz NGYUNHYTPDXLPR-LDLYASANSA-N 1 3 348.918 3.951 20 0 EHADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3cccc(Cl)c3)CCOCC1)C2 ZINC001172110982 1137537109 /nfs/dbraw/zinc/53/71/09/1137537109.db2.gz NGYUNHYTPDXLPR-LDLYASANSA-N 1 3 348.918 3.951 20 0 EHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172283762 1137547791 /nfs/dbraw/zinc/54/77/91/1137547791.db2.gz LDNJXFWTTGZDEF-WMZOPIPTSA-N 1 3 332.488 3.524 20 0 EHADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172283756 1137547803 /nfs/dbraw/zinc/54/78/03/1137547803.db2.gz LDNJXFWTTGZDEF-AEFFLSMTSA-N 1 3 332.488 3.524 20 0 EHADHO Brc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000872107390 1137571421 /nfs/dbraw/zinc/57/14/21/1137571421.db2.gz QBXLTCNGEHEUNK-IAGOWNOFSA-N 1 3 349.316 3.697 20 0 EHADHO Brc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000872107390 1137571422 /nfs/dbraw/zinc/57/14/22/1137571422.db2.gz QBXLTCNGEHEUNK-IAGOWNOFSA-N 1 3 349.316 3.697 20 0 EHADHO c1c(CN(Cc2ccccc2)C[C@@H]2CCCO2)sc2c1C[NH2+]CC2 ZINC000873203964 1137593954 /nfs/dbraw/zinc/59/39/54/1137593954.db2.gz VAJOZXAOJGUTMH-SFHVURJKSA-N 1 3 342.508 3.575 20 0 EHADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000873289490 1137596693 /nfs/dbraw/zinc/59/66/93/1137596693.db2.gz IMKDCJYGVJFGDX-TZMCWYRMSA-N 1 3 343.298 3.803 20 0 EHADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000877524916 1137679521 /nfs/dbraw/zinc/67/95/21/1137679521.db2.gz KOEMVOGVSVKEBA-ROUUACIJSA-N 1 3 325.500 3.876 20 0 EHADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529937 1137679965 /nfs/dbraw/zinc/67/99/65/1137679965.db2.gz ABFXNWMHZZLQHK-MAUKXSAKSA-N 1 3 347.503 3.806 20 0 EHADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877529937 1137679966 /nfs/dbraw/zinc/67/99/66/1137679966.db2.gz ABFXNWMHZZLQHK-MAUKXSAKSA-N 1 3 347.503 3.806 20 0 EHADHO CC(C)CN(Cc1nc(-c2ccsc2)no1)CC1CC[NH+](C)CC1 ZINC000879702143 1137755708 /nfs/dbraw/zinc/75/57/08/1137755708.db2.gz HOAACIGCTMTPAD-UHFFFAOYSA-N 1 3 348.516 3.598 20 0 EHADHO CCCN1CCN(c2ccccc2C[NH2+]CC(CC)(CC)OC)CC1 ZINC001202611465 1137883488 /nfs/dbraw/zinc/88/34/88/1137883488.db2.gz ILIIVKAEESHVKP-UHFFFAOYSA-N 1 3 347.547 3.513 20 0 EHADHO COc1ccc(CNCCCCC[NH+]2CCCCC2)c(F)c1OC ZINC000885981417 1138030106 /nfs/dbraw/zinc/03/01/06/1138030106.db2.gz FKMLZHCHGSIVDB-UHFFFAOYSA-N 1 3 338.467 3.589 20 0 EHADHO C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCO1 ZINC000886587901 1138100082 /nfs/dbraw/zinc/10/00/82/1138100082.db2.gz IALSKOJWVRFCGC-NQOGSSOHSA-N 1 3 342.527 3.834 20 0 EHADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000132999610 1138615741 /nfs/dbraw/zinc/61/57/41/1138615741.db2.gz FCBRJSRGEQCMAK-KGLIPLIRSA-N 1 3 340.870 3.631 20 0 EHADHO C[C@@H](NCc1ccc(Cl)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178246949 1139681881 /nfs/dbraw/zinc/68/18/81/1139681881.db2.gz IXJFWWQEDWMDHV-CQSZACIVSA-N 1 3 333.863 3.526 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000183244103 1140023513 /nfs/dbraw/zinc/02/35/13/1140023513.db2.gz WFZXLBNFSPIJPK-ZNMIVQPWSA-N 1 3 326.431 3.505 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1F ZINC000183244143 1140023904 /nfs/dbraw/zinc/02/39/04/1140023904.db2.gz WFZXLBNFSPIJPK-KFWWJZLASA-N 1 3 326.431 3.505 20 0 EHADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccs1 ZINC000183498279 1140043279 /nfs/dbraw/zinc/04/32/79/1140043279.db2.gz DHLVHFHPAMDTOK-INIZCTEOSA-N 1 3 345.512 3.511 20 0 EHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000268714140 1140975491 /nfs/dbraw/zinc/97/54/91/1140975491.db2.gz FZGHJUUFLXYPNV-KRWDZBQOSA-N 1 3 346.519 3.743 20 0 EHADHO C[C@@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1cc2ccccc2o1 ZINC000268796797 1140993856 /nfs/dbraw/zinc/99/38/56/1140993856.db2.gz HVYYDWNNFSLIQX-MRXNPFEDSA-N 1 3 341.499 3.642 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)c(C)c1 ZINC000269009954 1141044847 /nfs/dbraw/zinc/04/48/47/1141044847.db2.gz NIPOTXBJHIMEHY-KRWDZBQOSA-N 1 3 343.515 3.627 20 0 EHADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000271394638 1141357358 /nfs/dbraw/zinc/35/73/58/1141357358.db2.gz KLCATMXENHXAIN-GOSISDBHSA-N 1 3 341.499 3.961 20 0 EHADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271544300 1141393307 /nfs/dbraw/zinc/39/33/07/1141393307.db2.gz TYCLUPQGFIEIIH-XWPNQZOQSA-N 1 3 328.500 3.511 20 0 EHADHO c1[nH]nc2cc(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc12 ZINC000348631581 1141557353 /nfs/dbraw/zinc/55/73/53/1141557353.db2.gz DWDAPLKKQWDMTC-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO c1[nH]nc2cc(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc12 ZINC000348631581 1141557365 /nfs/dbraw/zinc/55/73/65/1141557365.db2.gz DWDAPLKKQWDMTC-JOCHJYFZSA-N 1 3 346.478 3.661 20 0 EHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000349145312 1141645021 /nfs/dbraw/zinc/64/50/21/1141645021.db2.gz SDPHJOSWAVKNNY-PXNSSMCTSA-N 1 3 343.515 3.731 20 0 EHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000349145312 1141645022 /nfs/dbraw/zinc/64/50/22/1141645022.db2.gz SDPHJOSWAVKNNY-PXNSSMCTSA-N 1 3 343.515 3.731 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(Br)c1 ZINC000037644535 213161366 /nfs/dbraw/zinc/16/13/66/213161366.db2.gz CALFKPXLIVFULZ-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(Br)c1 ZINC000037644535 213161370 /nfs/dbraw/zinc/16/13/70/213161370.db2.gz CALFKPXLIVFULZ-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(Br)c1 ZINC000037644535 213161373 /nfs/dbraw/zinc/16/13/73/213161373.db2.gz CALFKPXLIVFULZ-BBRMVZONSA-N 1 3 325.294 3.832 20 0 EHADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000298269809 522811331 /nfs/dbraw/zinc/81/13/31/522811331.db2.gz GHFWRACLYVYNBX-HXUWFJFHSA-N 1 3 325.456 3.800 20 0 EHADHO C[C@H](NCc1ccc2cnn(C)c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579779398 1014462851 /nfs/dbraw/zinc/46/28/51/1014462851.db2.gz XASHQXHTCQNRFP-LAUBAEHRSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H](NCc1ccc2cnn(C)c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579779398 1014462857 /nfs/dbraw/zinc/46/28/57/1014462857.db2.gz XASHQXHTCQNRFP-LAUBAEHRSA-N 1 3 348.494 3.574 20 0 EHADHO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579779398 1014462861 /nfs/dbraw/zinc/46/28/61/1014462861.db2.gz XASHQXHTCQNRFP-LAUBAEHRSA-N 1 3 348.494 3.574 20 0 EHADHO COc1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449060055 1032101182 /nfs/dbraw/zinc/10/11/82/1032101182.db2.gz CIQYUQDBJJKSDA-SFHVURJKSA-N 1 3 338.495 3.880 20 0 EHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)CC1 ZINC000154319334 1015364993 /nfs/dbraw/zinc/36/49/93/1015364993.db2.gz OAIFMMJNZGYKQV-CQSZACIVSA-N 1 3 344.330 3.672 20 0 EHADHO CCC[NH+]1CCC(Nc2ccc(CN3CCSCC3)cc2C)CC1 ZINC000153710270 1016332950 /nfs/dbraw/zinc/33/29/50/1016332950.db2.gz FNWHXTACKYMFBG-UHFFFAOYSA-N 1 3 347.572 3.830 20 0 EHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccccc2N(C)C)c1 ZINC000340172908 1016577392 /nfs/dbraw/zinc/57/73/92/1016577392.db2.gz IOVCYSVRMNACDP-UHFFFAOYSA-N 1 3 325.500 3.883 20 0 EHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccccc2N(C)C)c1 ZINC000340172908 1016577406 /nfs/dbraw/zinc/57/74/06/1016577406.db2.gz IOVCYSVRMNACDP-UHFFFAOYSA-N 1 3 325.500 3.883 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840734 1032185502 /nfs/dbraw/zinc/18/55/02/1032185502.db2.gz IJGGRYJYHVWIST-HOTGVXAUSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840734 1032185506 /nfs/dbraw/zinc/18/55/06/1032185506.db2.gz IJGGRYJYHVWIST-HOTGVXAUSA-N 1 3 342.483 3.849 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657840734 1032185514 /nfs/dbraw/zinc/18/55/14/1032185514.db2.gz IJGGRYJYHVWIST-HOTGVXAUSA-N 1 3 342.483 3.849 20 0 EHADHO c1ccc(N2CC[C@H](C[NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000152573199 1032200611 /nfs/dbraw/zinc/20/06/11/1032200611.db2.gz UWFJQTIYTVHDRT-GOSISDBHSA-N 1 3 327.516 3.510 20 0 EHADHO CCc1nc2cc(CNC3CC[NH+](C4CC4)CC3)ccc2n1C1CC1 ZINC000459549822 1032266011 /nfs/dbraw/zinc/26/60/11/1032266011.db2.gz WOJWTIAMBSVFGW-UHFFFAOYSA-N 1 3 338.499 3.650 20 0 EHADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536862905 1032363640 /nfs/dbraw/zinc/36/36/40/1032363640.db2.gz KZZUXDCFDRLVCJ-ROYATCLZSA-N 1 3 334.479 3.538 20 0 EHADHO C[S@@](=O)C1(C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000449299037 1032417953 /nfs/dbraw/zinc/41/79/53/1032417953.db2.gz KENBIZOJMRRWMS-HSZRJFAPSA-N 1 3 342.593 3.556 20 0 EHADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)c2ccccn2)CC1 ZINC000449398763 1032521778 /nfs/dbraw/zinc/52/17/78/1032521778.db2.gz WNQKWBBWGLTTBI-IEBWSBKVSA-N 1 3 329.532 3.992 20 0 EHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000237504087 1017083715 /nfs/dbraw/zinc/08/37/15/1017083715.db2.gz JNZZWDYIJDGSDF-ZIAGYGMSSA-N 1 3 345.314 3.972 20 0 EHADHO [NH3+]C[C@H]1CC[C@H](CNCc2csc(COc3ccccc3)n2)CC1 ZINC000415025179 1017413532 /nfs/dbraw/zinc/41/35/32/1017413532.db2.gz PCURPYGKLGEYHO-WKILWMFISA-N 1 3 345.512 3.577 20 0 EHADHO [NH3+]CCC[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000415058140 1017468811 /nfs/dbraw/zinc/46/88/11/1017468811.db2.gz SRCCHTMYPSLKHU-INIZCTEOSA-N 1 3 338.373 3.997 20 0 EHADHO CCc1cccc(Cl)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415114574 1017568715 /nfs/dbraw/zinc/56/87/15/1017568715.db2.gz VRUUSPXGUACBPE-RTBURBONSA-N 1 3 336.907 3.621 20 0 EHADHO C[NH2+]CCC1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000070188924 1017866106 /nfs/dbraw/zinc/86/61/06/1017866106.db2.gz SHDRHWOONIASLA-ZDUSSCGKSA-N 1 3 325.294 3.832 20 0 EHADHO COc1cc([C@@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)ccn1 ZINC000340473049 1017995322 /nfs/dbraw/zinc/99/53/22/1017995322.db2.gz GJFLOMPQFGMFRD-QGZVFWFLSA-N 1 3 339.483 3.927 20 0 EHADHO COC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000580361679 1019187945 /nfs/dbraw/zinc/18/79/45/1019187945.db2.gz GKIDYCLKZCVJQK-QKQBLWMGSA-N 1 3 342.527 3.834 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)CC2(C)C)CC1 ZINC000932906351 1019364631 /nfs/dbraw/zinc/36/46/31/1019364631.db2.gz WXLJGWDFPVAGFN-OAQYLSRUSA-N 1 3 343.559 3.671 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)CC2(C)C)CC1 ZINC000932906351 1019364647 /nfs/dbraw/zinc/36/46/47/1019364647.db2.gz WXLJGWDFPVAGFN-OAQYLSRUSA-N 1 3 343.559 3.671 20 0 EHADHO COC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCCC1 ZINC000319507262 1019448407 /nfs/dbraw/zinc/44/84/07/1019448407.db2.gz WZNLOIZQHDRQKT-HXUWFJFHSA-N 1 3 330.516 3.838 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2cn3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC000513544436 1019811205 /nfs/dbraw/zinc/81/12/05/1019811205.db2.gz HYDRJLGBSYHFFR-UYAOXDASSA-N 1 3 348.494 3.725 20 0 EHADHO C[C@@H]1C[C@@H](CCNCc2cn3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000513544436 1019811214 /nfs/dbraw/zinc/81/12/14/1019811214.db2.gz HYDRJLGBSYHFFR-UYAOXDASSA-N 1 3 348.494 3.725 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCC2=CCCOC2)C1 ZINC000126543834 1020083165 /nfs/dbraw/zinc/08/31/65/1020083165.db2.gz MVARZGAUJVYXOA-HDICACEKSA-N 1 3 328.500 3.601 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCC2=CCCOC2)C1 ZINC000126543834 1020083173 /nfs/dbraw/zinc/08/31/73/1020083173.db2.gz MVARZGAUJVYXOA-HDICACEKSA-N 1 3 328.500 3.601 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000501054837 1020688023 /nfs/dbraw/zinc/68/80/23/1020688023.db2.gz OHBBVTJUFFPXKE-HXUWFJFHSA-N 1 3 335.580 3.695 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000501054837 1020688042 /nfs/dbraw/zinc/68/80/42/1020688042.db2.gz OHBBVTJUFFPXKE-HXUWFJFHSA-N 1 3 335.580 3.695 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000581515886 1021036052 /nfs/dbraw/zinc/03/60/52/1021036052.db2.gz NDHWQTBDDSDWNR-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO Cc1cc(Br)ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000581515886 1021036055 /nfs/dbraw/zinc/03/60/55/1021036055.db2.gz NDHWQTBDDSDWNR-CZUORRHYSA-N 1 3 325.294 3.530 20 0 EHADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000581564061 1021091678 /nfs/dbraw/zinc/09/16/78/1021091678.db2.gz FPQNVLAQQDIZPU-ZGJYDULXSA-N 1 3 342.527 3.570 20 0 EHADHO Cc1ccccc1C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000518686339 1021424044 /nfs/dbraw/zinc/42/40/44/1021424044.db2.gz WDDYLWCQRWUIQS-XQBPLPMBSA-N 1 3 344.543 3.795 20 0 EHADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000427540687 1021454651 /nfs/dbraw/zinc/45/46/51/1021454651.db2.gz NNRBZSWECJTCQW-SFHLNBCPSA-N 1 3 332.532 3.733 20 0 EHADHO CN1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)Cc2ccccc21 ZINC000437092426 1021546623 /nfs/dbraw/zinc/54/66/23/1021546623.db2.gz DPFBWSOWQMAJDQ-GOSISDBHSA-N 1 3 341.543 3.682 20 0 EHADHO CN1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)Cc2ccccc21 ZINC000437092426 1021546638 /nfs/dbraw/zinc/54/66/38/1021546638.db2.gz DPFBWSOWQMAJDQ-GOSISDBHSA-N 1 3 341.543 3.682 20 0 EHADHO COCC[N@H+](C)CC[C@H](Nc1ccnc2ccccc21)c1ccccc1 ZINC000518927634 1021693291 /nfs/dbraw/zinc/69/32/91/1021693291.db2.gz WQFNAZFOORIFQD-FQEVSTJZSA-N 1 3 349.478 3.778 20 0 EHADHO COCC[N@@H+](C)CC[C@H](Nc1ccnc2ccccc21)c1ccccc1 ZINC000518927634 1021693301 /nfs/dbraw/zinc/69/33/01/1021693301.db2.gz WQFNAZFOORIFQD-FQEVSTJZSA-N 1 3 349.478 3.778 20 0 EHADHO Cc1c(C)c(C)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1C ZINC000441204668 1022065495 /nfs/dbraw/zinc/06/54/95/1022065495.db2.gz NQTDFVDCMCDFCK-KSEOMHKRSA-N 1 3 344.543 3.912 20 0 EHADHO C[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)CN(C)C ZINC000425946841 1022375807 /nfs/dbraw/zinc/37/58/07/1022375807.db2.gz QFRFPSQXEPIXNR-BXUZGUMPSA-N 1 3 343.334 3.773 20 0 EHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510653868 1022833641 /nfs/dbraw/zinc/83/36/41/1022833641.db2.gz UNTZFEFUFPXDKV-BFYDXBDKSA-N 1 3 337.305 3.899 20 0 EHADHO c1ccc(COc2ccccc2CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430913899 1022866117 /nfs/dbraw/zinc/86/61/17/1022866117.db2.gz ZCCVSKKKHQDZLK-UHFFFAOYSA-N 1 3 336.479 3.841 20 0 EHADHO C[C@H]1CN(CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430926713 1022879757 /nfs/dbraw/zinc/87/97/57/1022879757.db2.gz GXGNCKWURLUCGR-BBRMVZONSA-N 1 3 330.394 3.534 20 0 EHADHO CCOCc1cc(CN2CCC(C[NH+](CC)CC)CC2)ccc1OC ZINC000506925806 1023012890 /nfs/dbraw/zinc/01/28/90/1023012890.db2.gz HLKVVHJTZPBSAE-UHFFFAOYSA-N 1 3 348.531 3.786 20 0 EHADHO CC[NH+](CC)CC1CCN(Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000535780934 1023630100 /nfs/dbraw/zinc/63/01/00/1023630100.db2.gz COHFESOLPMBDBV-INIZCTEOSA-N 1 3 346.515 3.572 20 0 EHADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)c(C)c1OC ZINC000514089675 1024123273 /nfs/dbraw/zinc/12/32/73/1024123273.db2.gz QWAGWLFWMXGWGR-DLBZAZTESA-N 1 3 348.531 3.797 20 0 EHADHO CCc1nc(C)c(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000428284577 1024148828 /nfs/dbraw/zinc/14/88/28/1024148828.db2.gz FONZLOWHOIXDES-UHFFFAOYSA-N 1 3 342.487 3.679 20 0 EHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N(C)C)c1 ZINC000514220940 1024232693 /nfs/dbraw/zinc/23/26/93/1024232693.db2.gz DDSDIFARDLUCDE-XMSQKQJNSA-N 1 3 337.511 3.753 20 0 EHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(N(C)C)c1 ZINC000514220940 1024232707 /nfs/dbraw/zinc/23/27/07/1024232707.db2.gz DDSDIFARDLUCDE-XMSQKQJNSA-N 1 3 337.511 3.753 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414849670 1024262043 /nfs/dbraw/zinc/26/20/43/1024262043.db2.gz HNXUTWJPLYAYGM-JFIYKMOQSA-N 1 3 331.504 3.505 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3CCCO[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048204 1024352985 /nfs/dbraw/zinc/35/29/85/1024352985.db2.gz UMEBHYDLFZKOEE-XRYRHKQGSA-N 1 3 342.527 3.929 20 0 EHADHO C[C@@H]1C[C@@H](N2CC[C@@H]3CCCO[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168048204 1024352995 /nfs/dbraw/zinc/35/29/95/1024352995.db2.gz UMEBHYDLFZKOEE-XRYRHKQGSA-N 1 3 342.527 3.929 20 0 EHADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c1C ZINC000414857729 1024500273 /nfs/dbraw/zinc/50/02/73/1024500273.db2.gz FOVAOWKKBHKGTH-MRXNPFEDSA-N 1 3 331.504 3.662 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414861268 1024533294 /nfs/dbraw/zinc/53/32/94/1024533294.db2.gz WIWDWIICJYQBDW-IXDOHACOSA-N 1 3 331.504 3.505 20 0 EHADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414861266 1024534591 /nfs/dbraw/zinc/53/45/91/1024534591.db2.gz WIWDWIICJYQBDW-IKGGRYGDSA-N 1 3 331.504 3.505 20 0 EHADHO C[C@@H]1CC([NH2+]C[C@@H]2CCCCN2C)C[C@@H](C)N1Cc1ccccc1 ZINC001168008507 1024606609 /nfs/dbraw/zinc/60/66/09/1024606609.db2.gz FFIATPLGQUXSSS-OPYAIIAOSA-N 1 3 329.532 3.502 20 0 EHADHO CCOC(=O)CC1(NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168032861 1024751429 /nfs/dbraw/zinc/75/14/29/1024751429.db2.gz IKEBLDUHKOKXAL-IAGOWNOFSA-N 1 3 344.499 3.503 20 0 EHADHO COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000435375031 1024841235 /nfs/dbraw/zinc/84/12/35/1024841235.db2.gz ZAOPUYIVLHZLDS-RDJZCZTQSA-N 1 3 340.467 3.540 20 0 EHADHO Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000657307653 1024896942 /nfs/dbraw/zinc/89/69/42/1024896942.db2.gz SJFJPCMQMQKMHZ-MRXNPFEDSA-N 1 3 327.497 3.692 20 0 EHADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428221356 1025055116 /nfs/dbraw/zinc/05/51/16/1025055116.db2.gz KHWGCGVRMJHHBV-OOOLTRJPSA-N 1 3 344.543 3.674 20 0 EHADHO CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168012570 1025117884 /nfs/dbraw/zinc/11/78/84/1025117884.db2.gz CDKIYCSHOKKNEQ-YHELAOLJSA-N 1 3 329.532 3.500 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)C2 ZINC001168284882 1033266743 /nfs/dbraw/zinc/26/67/43/1033266743.db2.gz WZSWNIKSHXEPGB-SLFFLAALSA-N 1 3 328.500 3.501 20 0 EHADHO COc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)C2 ZINC001168284882 1033266755 /nfs/dbraw/zinc/26/67/55/1033266755.db2.gz WZSWNIKSHXEPGB-SLFFLAALSA-N 1 3 328.500 3.501 20 0 EHADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000442760744 1025457163 /nfs/dbraw/zinc/45/71/63/1025457163.db2.gz AKSFHQUXYJDWHV-DLBZAZTESA-N 1 3 326.440 3.527 20 0 EHADHO CCCCc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442878471 1025558411 /nfs/dbraw/zinc/55/84/11/1025558411.db2.gz YZMJBGXLVAOMOS-SFHVURJKSA-N 1 3 331.548 3.706 20 0 EHADHO CC[NH+]1CCC(CCNCc2cc(F)ccc2OC(F)F)CC1 ZINC000657375656 1025676763 /nfs/dbraw/zinc/67/67/63/1025676763.db2.gz ASEGFQHKADFYQG-UHFFFAOYSA-N 1 3 330.394 3.639 20 0 EHADHO CCOc1c(Cl)cccc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000521942561 1025813361 /nfs/dbraw/zinc/81/33/61/1025813361.db2.gz RFBSJYPDKHCIDS-INIZCTEOSA-N 1 3 336.907 3.902 20 0 EHADHO C[C@@H]1CC(N2CCN3CCCC[C@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054400 1026072807 /nfs/dbraw/zinc/07/28/07/1026072807.db2.gz RCJFBEYCLJLMHC-SBHAEUEKSA-N 1 3 341.543 3.598 20 0 EHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)CC[NH3+])cc1 ZINC000414890261 1026120341 /nfs/dbraw/zinc/12/03/41/1026120341.db2.gz HFAXECGIASERRY-QGZVFWFLSA-N 1 3 334.467 3.675 20 0 EHADHO COCC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1 ZINC000451695603 1026215197 /nfs/dbraw/zinc/21/51/97/1026215197.db2.gz QNFBJJYXPSBFFJ-IRXDYDNUSA-N 1 3 344.421 3.857 20 0 EHADHO CC(C)[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655716490 1026657295 /nfs/dbraw/zinc/65/72/95/1026657295.db2.gz UIIYCJNFYYYSGC-QFBILLFUSA-N 1 3 336.907 3.880 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378468 1026865830 /nfs/dbraw/zinc/86/58/30/1026865830.db2.gz NKYIKAYLFVPNFW-HOCLYGCPSA-N 1 3 344.421 3.932 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000531378468 1026865834 /nfs/dbraw/zinc/86/58/34/1026865834.db2.gz NKYIKAYLFVPNFW-HOCLYGCPSA-N 1 3 344.421 3.932 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@@H](C)C1 ZINC000531708697 1027232852 /nfs/dbraw/zinc/23/28/52/1027232852.db2.gz LFTJCTCFAJHVKC-QFBILLFUSA-N 1 3 331.504 3.613 20 0 EHADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)[C@H](C)C1 ZINC000531708698 1027233012 /nfs/dbraw/zinc/23/30/12/1027233012.db2.gz LFTJCTCFAJHVKC-VQIMIIECSA-N 1 3 331.504 3.613 20 0 EHADHO COc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1C ZINC000273063111 1027251710 /nfs/dbraw/zinc/25/17/10/1027251710.db2.gz LURSXLCIUHNLTD-KRWDZBQOSA-N 1 3 342.483 3.795 20 0 EHADHO [NH3+]CCCOC1CCN(Cc2ccccc2Oc2ccccc2)CC1 ZINC000420293507 1027431887 /nfs/dbraw/zinc/43/18/87/1027431887.db2.gz RDEFGBROUYKDEV-UHFFFAOYSA-N 1 3 340.467 3.809 20 0 EHADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccc(C)s2)cc1 ZINC000420300804 1027450929 /nfs/dbraw/zinc/45/09/29/1027450929.db2.gz KQEFGTRAZNDJKE-WMZOPIPTSA-N 1 3 330.497 3.945 20 0 EHADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccc(C)s2)cc1 ZINC000420300804 1027450935 /nfs/dbraw/zinc/45/09/35/1027450935.db2.gz KQEFGTRAZNDJKE-WMZOPIPTSA-N 1 3 330.497 3.945 20 0 EHADHO Cc1cccc(-c2c[nH]c([C@H]3CCCN3CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000420320432 1027467587 /nfs/dbraw/zinc/46/75/87/1027467587.db2.gz QFJOAPDRSLXZBX-YLJYHZDGSA-N 1 3 338.499 3.912 20 0 EHADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398489 1027514173 /nfs/dbraw/zinc/51/41/73/1027514173.db2.gz YVKADMTZPNGNHI-LZQZEXGQSA-N 1 3 338.442 3.634 20 0 EHADHO c1oc2ccccc2c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612647 1027649591 /nfs/dbraw/zinc/64/95/91/1027649591.db2.gz CCXALBROUCVORL-UHFFFAOYSA-N 1 3 335.451 3.830 20 0 EHADHO CCCOCc1ccccc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422697646 1027856576 /nfs/dbraw/zinc/85/65/76/1027856576.db2.gz VLUZQGCHNANMSC-OAHLLOKOSA-N 1 3 327.472 3.626 20 0 EHADHO COc1ccc(CN[C@H](C)c2c[nH+]ccc2N)cc1OC1CCCC1 ZINC000422710405 1027866824 /nfs/dbraw/zinc/86/68/24/1027866824.db2.gz LEAAHGDZUVUTDY-CQSZACIVSA-N 1 3 341.455 3.675 20 0 EHADHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC1CCCC1 ZINC000422715678 1027885049 /nfs/dbraw/zinc/88/50/49/1027885049.db2.gz SOTFXSKHYLTSNM-SJLPKXTDSA-N 1 3 332.488 3.624 20 0 EHADHO COc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422778692 1027931402 /nfs/dbraw/zinc/93/14/02/1027931402.db2.gz HYYDVZJPWRVGFN-NYSBEXSLSA-N 1 3 338.451 3.602 20 0 EHADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422829042 1027972392 /nfs/dbraw/zinc/97/23/92/1027972392.db2.gz UJJXABGUTYCVQS-JKSUJKDBSA-N 1 3 330.394 3.515 20 0 EHADHO CCOc1cc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)ccc1OC(F)F ZINC000246208882 1027998415 /nfs/dbraw/zinc/99/84/15/1027998415.db2.gz PCZRXNUUQCXVQT-DZGCQCFKSA-N 1 3 342.430 3.507 20 0 EHADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000422843134 1028004914 /nfs/dbraw/zinc/00/49/14/1028004914.db2.gz HCZFWHLXBRNLOK-QAPCUYQASA-N 1 3 329.419 3.620 20 0 EHADHO CN(CCCc1cc(-c2ccccc2)n[nH]1)CCC[NH+]1CCCCC1 ZINC000444590638 1028048849 /nfs/dbraw/zinc/04/88/49/1028048849.db2.gz LZCWSPFJRAFXAA-UHFFFAOYSA-N 1 3 340.515 3.817 20 0 EHADHO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C12CCCCC2 ZINC000422924064 1028056492 /nfs/dbraw/zinc/05/64/92/1028056492.db2.gz XMOJXQPKHVOWJQ-ATZDWAIDSA-N 1 3 331.504 3.627 20 0 EHADHO Cc1sc(CC[NH2+][C@H](C)[C@@H]2CCCCN2)nc1-c1ccccc1 ZINC000422927960 1028058817 /nfs/dbraw/zinc/05/88/17/1028058817.db2.gz HYDBJOVRDQCMIN-PBHICJAKSA-N 1 3 329.513 3.781 20 0 EHADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OC1CCCC1 ZINC000422933763 1028060545 /nfs/dbraw/zinc/06/05/45/1028060545.db2.gz DSAMCYVFLJIBSA-FUHWJXTLSA-N 1 3 332.488 3.624 20 0 EHADHO c1ccc(C2(N[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)cc1 ZINC000422943183 1028070539 /nfs/dbraw/zinc/07/05/39/1028070539.db2.gz QMUFIABRONYAAK-PZJWPPBQSA-N 1 3 334.463 3.911 20 0 EHADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423011920 1028124695 /nfs/dbraw/zinc/12/46/95/1028124695.db2.gz JQDDZAJBODASBI-SUMWQHHRSA-N 1 3 349.931 3.984 20 0 EHADHO CC(C)(C)c1nc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000423022889 1028133897 /nfs/dbraw/zinc/13/38/97/1028133897.db2.gz IMXSWZBMAAEBDU-GVDBMIGSSA-N 1 3 335.561 3.884 20 0 EHADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1csc(C(C)(C)C)n1 ZINC000423027221 1028136752 /nfs/dbraw/zinc/13/67/52/1028136752.db2.gz QXSPWMCPLCFBNM-WMLDXEAASA-N 1 3 331.529 3.531 20 0 EHADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000423063787 1028155092 /nfs/dbraw/zinc/15/50/92/1028155092.db2.gz PUSJXRDLFJOJKX-SJKOYZFVSA-N 1 3 337.389 3.845 20 0 EHADHO FC(F)c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423055146 1028165896 /nfs/dbraw/zinc/16/58/96/1028165896.db2.gz VRPIVPQFAIGEQW-PXNSSMCTSA-N 1 3 344.405 3.970 20 0 EHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000246298256 1028178969 /nfs/dbraw/zinc/17/89/69/1028178969.db2.gz CWROBDVIWZEKMY-GUDVDZBRSA-N 1 3 346.540 3.581 20 0 EHADHO CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423146219 1028207173 /nfs/dbraw/zinc/20/71/73/1028207173.db2.gz OQAPGOWKSOKFSD-WCIQWLHISA-N 1 3 347.572 3.522 20 0 EHADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421318768 1028281150 /nfs/dbraw/zinc/28/11/50/1028281150.db2.gz HXIIFZOYPFDZKJ-UHFFFAOYSA-N 1 3 341.543 3.554 20 0 EHADHO C[C@H]([NH3+])CCN[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423224150 1028292012 /nfs/dbraw/zinc/29/20/12/1028292012.db2.gz IJNPKCRRUFGJHI-PKFCDNJMSA-N 1 3 329.307 3.559 20 0 EHADHO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2cccc(-n3ccnn3)c2)cc1 ZINC000423252893 1028315407 /nfs/dbraw/zinc/31/54/07/1028315407.db2.gz YAVQZSYIXXEQNI-IIBYNOLFSA-N 1 3 349.482 3.741 20 0 EHADHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000423296410 1028353401 /nfs/dbraw/zinc/35/34/01/1028353401.db2.gz ZEAAHSNGHGIVKD-KDOFPFPSSA-N 1 3 326.440 3.718 20 0 EHADHO FC(F)Oc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423350221 1028380552 /nfs/dbraw/zinc/38/05/52/1028380552.db2.gz YYAIKFBQBNMDNW-LJQANCHMSA-N 1 3 344.405 3.887 20 0 EHADHO COc1cc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)ccc1OC(F)F ZINC000423361856 1028388782 /nfs/dbraw/zinc/38/87/82/1028388782.db2.gz SGNFYJGYJXGSHN-LBPRGKRZSA-N 1 3 348.393 3.751 20 0 EHADHO COc1cc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)ccc1SC ZINC000423376069 1028398698 /nfs/dbraw/zinc/39/86/98/1028398698.db2.gz JAYWSJBSEAXRGT-ZDUSSCGKSA-N 1 3 328.481 3.871 20 0 EHADHO Brc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393892 1028405795 /nfs/dbraw/zinc/40/57/95/1028405795.db2.gz RBZSFLZXGWZTLN-SFHVURJKSA-N 1 3 343.268 3.829 20 0 EHADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423425240 1028417492 /nfs/dbraw/zinc/41/74/92/1028417492.db2.gz DGHQDYBIYOWJFE-RRQGHBQHSA-N 1 3 327.497 3.849 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000195135636 1028584554 /nfs/dbraw/zinc/58/45/54/1028584554.db2.gz PPXOYGNRAPVVOA-WBVHZDCISA-N 1 3 329.875 3.908 20 0 EHADHO CC(C)C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000247122337 1028749194 /nfs/dbraw/zinc/74/91/94/1028749194.db2.gz USDWSIVQOSFDDK-WSTZPKSXSA-N 1 3 333.520 3.648 20 0 EHADHO CCOCCCN1CC[C@H]([NH2+][C@@H](CC)c2ccccc2OC)[C@H](C)C1 ZINC000247213925 1028760591 /nfs/dbraw/zinc/76/05/91/1028760591.db2.gz XDZRXUSFQCGXRR-HOJAQTOUSA-N 1 3 348.531 3.873 20 0 EHADHO c1csc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248402808 1028893926 /nfs/dbraw/zinc/89/39/26/1028893926.db2.gz NTYREDRZIDVDGO-IPMKNSEASA-N 1 3 341.524 3.576 20 0 EHADHO c1csc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248402808 1028893948 /nfs/dbraw/zinc/89/39/48/1028893948.db2.gz NTYREDRZIDVDGO-IPMKNSEASA-N 1 3 341.524 3.576 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000248458411 1028912606 /nfs/dbraw/zinc/91/26/06/1028912606.db2.gz UQPSQHKFVVKNMW-BEFAXECRSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000248458411 1028912612 /nfs/dbraw/zinc/91/26/12/1028912612.db2.gz UQPSQHKFVVKNMW-BEFAXECRSA-N 1 3 330.497 3.556 20 0 EHADHO C[C@@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000414797970 1029147358 /nfs/dbraw/zinc/14/73/58/1029147358.db2.gz XADIMPHKCSGZCK-YOEHRIQHSA-N 1 3 326.406 3.884 20 0 EHADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000414812768 1029324475 /nfs/dbraw/zinc/32/44/75/1029324475.db2.gz RSMFQMOQKHQJAE-CYBMUJFWSA-N 1 3 338.373 3.937 20 0 EHADHO Cc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272481376 1029476496 /nfs/dbraw/zinc/47/64/96/1029476496.db2.gz MFDSYRJABNTQES-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272481376 1029476505 /nfs/dbraw/zinc/47/65/05/1029476505.db2.gz MFDSYRJABNTQES-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO Cc1ccc([C@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272481376 1029476514 /nfs/dbraw/zinc/47/65/14/1029476514.db2.gz MFDSYRJABNTQES-BVYCBKJFSA-N 1 3 338.495 3.529 20 0 EHADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000272612406 1029533901 /nfs/dbraw/zinc/53/39/01/1029533901.db2.gz WNGJOZNARRPWJX-CYBMUJFWSA-N 1 3 334.895 3.609 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000092738772 1029714421 /nfs/dbraw/zinc/71/44/21/1029714421.db2.gz BOSRLPHUARBBQP-SCLBCKFNSA-N 1 3 349.316 3.900 20 0 EHADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000092738772 1029714430 /nfs/dbraw/zinc/71/44/30/1029714430.db2.gz BOSRLPHUARBBQP-SCLBCKFNSA-N 1 3 349.316 3.900 20 0 EHADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739769 1029716550 /nfs/dbraw/zinc/71/65/50/1029716550.db2.gz ACIQNZGVPWOMGA-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739769 1029716554 /nfs/dbraw/zinc/71/65/54/1029716554.db2.gz ACIQNZGVPWOMGA-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000092739769 1029716556 /nfs/dbraw/zinc/71/65/56/1029716556.db2.gz ACIQNZGVPWOMGA-SUMWQHHRSA-N 1 3 337.305 3.758 20 0 EHADHO Cc1ccncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453323954 1030105007 /nfs/dbraw/zinc/10/50/07/1030105007.db2.gz KFSXCEVDNOIVIR-BDTNDASRSA-N 1 3 335.495 3.923 20 0 EHADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCC(C)CC1 ZINC000481975448 1030143171 /nfs/dbraw/zinc/14/31/71/1030143171.db2.gz SFJCLAAGSIIZKL-SJBKTWHCSA-N 1 3 343.559 3.607 20 0 EHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000531967155 1030158591 /nfs/dbraw/zinc/15/85/91/1030158591.db2.gz APJISGKMIKTBBG-HMFYCAOWSA-N 1 3 344.543 3.963 20 0 EHADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000531967155 1030158599 /nfs/dbraw/zinc/15/85/99/1030158599.db2.gz APJISGKMIKTBBG-HMFYCAOWSA-N 1 3 344.543 3.963 20 0 EHADHO C[N@H+](CCCCN[C@@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000453396978 1030250372 /nfs/dbraw/zinc/25/03/72/1030250372.db2.gz JCEDGAUWNTWSEZ-FQEVSTJZSA-N 1 3 327.447 3.774 20 0 EHADHO C[N@@H+](CCCCN[C@@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000453396978 1030250388 /nfs/dbraw/zinc/25/03/88/1030250388.db2.gz JCEDGAUWNTWSEZ-FQEVSTJZSA-N 1 3 327.447 3.774 20 0 EHADHO Fc1ccc([C@@H](NCC2CC[NH+](C3CC3)CC2)c2cccnc2)cc1 ZINC000447578143 1030341807 /nfs/dbraw/zinc/34/18/07/1030341807.db2.gz KAEVHDGOQJBHHO-OAQYLSRUSA-N 1 3 339.458 3.774 20 0 EHADHO C[N@H+](CCCCNCc1cc(F)ccc1Br)C1CC1 ZINC000453591489 1030383069 /nfs/dbraw/zinc/38/30/69/1030383069.db2.gz CIAWNWPSZURXDS-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO C[N@@H+](CCCCNCc1cc(F)ccc1Br)C1CC1 ZINC000453591489 1030383087 /nfs/dbraw/zinc/38/30/87/1030383087.db2.gz CIAWNWPSZURXDS-UHFFFAOYSA-N 1 3 329.257 3.552 20 0 EHADHO CC(C)CC[NH+]1CCC(CNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000447845947 1030514696 /nfs/dbraw/zinc/51/46/96/1030514696.db2.gz UUVZDEVNCKWBJX-UHFFFAOYSA-N 1 3 340.515 3.924 20 0 EHADHO CC1(C)C[C@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000482551244 1030523274 /nfs/dbraw/zinc/52/32/74/1030523274.db2.gz QVINCOXRWZQKRO-IBGZPJMESA-N 1 3 328.500 3.644 20 0 EHADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CNc3ccccc3C2)CC1 ZINC000650747824 1030566555 /nfs/dbraw/zinc/56/65/55/1030566555.db2.gz IKNRXCARIFFLGD-AVRDEDQJSA-N 1 3 349.522 3.708 20 0 EHADHO C[C@@H]1C[C@@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@@H+]1C ZINC000093644447 1030646730 /nfs/dbraw/zinc/64/67/30/1030646730.db2.gz KTPZOOCBPAEUFU-XLIONFOSSA-N 1 3 348.494 3.940 20 0 EHADHO C[C@@H]1C[C@@H](N(C)Cc2ccc(-n3cnc4ccccc43)cc2)CC[N@H+]1C ZINC000093644447 1030646736 /nfs/dbraw/zinc/64/67/36/1030646736.db2.gz KTPZOOCBPAEUFU-XLIONFOSSA-N 1 3 348.494 3.940 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000093644817 1030650257 /nfs/dbraw/zinc/65/02/57/1030650257.db2.gz IJPBUYPVZVHLFC-AUUYWEPGSA-N 1 3 344.478 3.543 20 0 EHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000093644817 1030650266 /nfs/dbraw/zinc/65/02/66/1030650266.db2.gz IJPBUYPVZVHLFC-AUUYWEPGSA-N 1 3 344.478 3.543 20 0 EHADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000278417636 1030719094 /nfs/dbraw/zinc/71/90/94/1030719094.db2.gz IIFJTNCJMKFVEK-ZDUSSCGKSA-N 1 3 346.906 3.752 20 0 EHADHO CC(C)[C@@H](COCc1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650754444 1030737673 /nfs/dbraw/zinc/73/76/73/1030737673.db2.gz JEZBQQFDFMBQQK-HXUWFJFHSA-N 1 3 330.447 3.615 20 0 EHADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000650755822 1030751794 /nfs/dbraw/zinc/75/17/94/1030751794.db2.gz NQJUBRHMNOLJAF-MRXNPFEDSA-N 1 3 334.467 3.657 20 0 EHADHO C[C@@H]1CCC[N@H+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194240064 1030752505 /nfs/dbraw/zinc/75/25/05/1030752505.db2.gz AQYSEVXHEVLSID-QGZVFWFLSA-N 1 3 326.488 3.678 20 0 EHADHO C[C@@H]1CCC[N@@H+](CCCCNCc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194240064 1030752524 /nfs/dbraw/zinc/75/25/24/1030752524.db2.gz AQYSEVXHEVLSID-QGZVFWFLSA-N 1 3 326.488 3.678 20 0 EHADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000926905034 1031040107 /nfs/dbraw/zinc/04/01/07/1031040107.db2.gz LAYLCCSMTFTASO-CVEARBPZSA-N 1 3 336.442 3.587 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCSCC[C@H]2C)CC1 ZINC000483425256 1031158711 /nfs/dbraw/zinc/15/87/11/1031158711.db2.gz HOQMPKPYLWAGHP-GOSISDBHSA-N 1 3 347.572 3.546 20 0 EHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCSCC[C@H]2C)CC1 ZINC000483425256 1031158722 /nfs/dbraw/zinc/15/87/22/1031158722.db2.gz HOQMPKPYLWAGHP-GOSISDBHSA-N 1 3 347.572 3.546 20 0 EHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000343515526 1031199761 /nfs/dbraw/zinc/19/97/61/1031199761.db2.gz QETNXAXLKGZROJ-JPYJTQIMSA-N 1 3 349.522 3.772 20 0 EHADHO CC(C)c1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995540 1031442573 /nfs/dbraw/zinc/44/25/73/1031442573.db2.gz QVXDDFCZNDHISY-APWZRJJASA-N 1 3 343.515 3.791 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000178035483 1031610995 /nfs/dbraw/zinc/61/09/95/1031610995.db2.gz XTHMXQYXLVJDRR-KKUMJFAQSA-N 1 3 326.431 3.505 20 0 EHADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000194932210 1031738296 /nfs/dbraw/zinc/73/82/96/1031738296.db2.gz OPQBUUHONUGWHP-SNRMKQJTSA-N 1 3 348.556 3.827 20 0 EHADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925216479 1031774640 /nfs/dbraw/zinc/77/46/40/1031774640.db2.gz JSSMOBRLDFQHHU-INIZCTEOSA-N 1 3 330.516 3.972 20 0 EHADHO Cc1cc2ncn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2cc1C ZINC000158032578 1033356421 /nfs/dbraw/zinc/35/64/21/1033356421.db2.gz UVQNPRQUUIKKAO-XLIONFOSSA-N 1 3 338.499 3.559 20 0 EHADHO Cc1cc2ncn(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2cc1C ZINC000158032578 1033356435 /nfs/dbraw/zinc/35/64/35/1033356435.db2.gz UVQNPRQUUIKKAO-XLIONFOSSA-N 1 3 338.499 3.559 20 0 EHADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000594494858 1033397551 /nfs/dbraw/zinc/39/75/51/1033397551.db2.gz JJBQJERMUORVDU-OXQOHEQNSA-N 1 3 344.499 3.561 20 0 EHADHO C[NH+](C)C1CCC(NCc2csc(-c3cccc(F)c3)n2)CC1 ZINC001168311913 1033905129 /nfs/dbraw/zinc/90/51/29/1033905129.db2.gz DTKRXLIFKZRKOE-UHFFFAOYSA-N 1 3 333.476 3.912 20 0 EHADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145217 1033992076 /nfs/dbraw/zinc/99/20/76/1033992076.db2.gz QGFWEJCNVPHLAW-QRWLVFNGSA-N 1 3 344.886 3.757 20 0 EHADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658145217 1033992086 /nfs/dbraw/zinc/99/20/86/1033992086.db2.gz QGFWEJCNVPHLAW-QRWLVFNGSA-N 1 3 344.886 3.757 20 0 EHADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)oc1C ZINC000658163874 1034026789 /nfs/dbraw/zinc/02/67/89/1034026789.db2.gz BUPGYTXLEABKFD-MRXNPFEDSA-N 1 3 327.472 3.854 20 0 EHADHO C[C@@H](CCC(F)(F)F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164721 1034028683 /nfs/dbraw/zinc/02/86/83/1034028683.db2.gz FBMAWMBGCOFWRK-AWEZNQCLSA-N 1 3 329.410 3.614 20 0 EHADHO C[C@H](CCC(F)(F)F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164723 1034029266 /nfs/dbraw/zinc/02/92/66/1034029266.db2.gz FBMAWMBGCOFWRK-CQSZACIVSA-N 1 3 329.410 3.614 20 0 EHADHO COc1cccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658164889 1034029383 /nfs/dbraw/zinc/02/93/83/1034029383.db2.gz APZBEMMFLSRGJN-KRWDZBQOSA-N 1 3 339.483 3.653 20 0 EHADHO Fc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)nc1 ZINC000529538444 1034166461 /nfs/dbraw/zinc/16/64/61/1034166461.db2.gz NYHCCQNQUYIWDZ-UHFFFAOYSA-N 1 3 347.865 3.876 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257370 1034481841 /nfs/dbraw/zinc/48/18/41/1034481841.db2.gz WFDSRICLLYINMB-AABGKKOBSA-N 1 3 340.515 3.913 20 0 EHADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1c(C)nn(C)c1C ZINC000340257370 1034481849 /nfs/dbraw/zinc/48/18/49/1034481849.db2.gz WFDSRICLLYINMB-AABGKKOBSA-N 1 3 340.515 3.913 20 0 EHADHO C[N@@H+]1CCC[C@H](CCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174814 1035892735 /nfs/dbraw/zinc/89/27/35/1035892735.db2.gz GWSRWSNDQZGEIX-OXQOHEQNSA-N 1 3 327.447 3.632 20 0 EHADHO C[N@H+]1CCC[C@H](CCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000414174814 1035892758 /nfs/dbraw/zinc/89/27/58/1035892758.db2.gz GWSRWSNDQZGEIX-OXQOHEQNSA-N 1 3 327.447 3.632 20 0 EHADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000414209214 1036062434 /nfs/dbraw/zinc/06/24/34/1036062434.db2.gz KIYDWQZWBNDVCZ-MFKMUULPSA-N 1 3 331.685 3.532 20 0 EHADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000572415633 1036084513 /nfs/dbraw/zinc/08/45/13/1036084513.db2.gz AEXXWTULAQJHFG-FXAWDEMLSA-N 1 3 343.902 3.950 20 0 EHADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892585206 1036333158 /nfs/dbraw/zinc/33/31/58/1036333158.db2.gz RGBYQOVFTBZHDS-ZDUSSCGKSA-N 1 3 349.466 3.992 20 0 EHADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892585206 1036333175 /nfs/dbraw/zinc/33/31/75/1036333175.db2.gz RGBYQOVFTBZHDS-ZDUSSCGKSA-N 1 3 349.466 3.992 20 0 EHADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCCC(C)C ZINC000192677990 1036537113 /nfs/dbraw/zinc/53/71/13/1036537113.db2.gz HWIIIZNBXGYRPM-YQQQUEKLSA-N 1 3 346.515 3.835 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398206157 1036572390 /nfs/dbraw/zinc/57/23/90/1036572390.db2.gz QSIJUIIPHBWPNE-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO COCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398206157 1036572401 /nfs/dbraw/zinc/57/24/01/1036572401.db2.gz QSIJUIIPHBWPNE-PGRDOPGGSA-N 1 3 338.495 3.833 20 0 EHADHO c1cc(S[C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168393117 1036583724 /nfs/dbraw/zinc/58/37/24/1036583724.db2.gz WEARVFVZPHWMRD-IBGZPJMESA-N 1 3 331.529 3.513 20 0 EHADHO c1cc(S[C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)ccn1 ZINC001168393117 1036583736 /nfs/dbraw/zinc/58/37/36/1036583736.db2.gz WEARVFVZPHWMRD-IBGZPJMESA-N 1 3 331.529 3.513 20 0 EHADHO C[NH+](C)CC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541773435 1036643415 /nfs/dbraw/zinc/64/34/15/1036643415.db2.gz CVXPICCEEXXSIK-UHFFFAOYSA-N 1 3 348.384 3.540 20 0 EHADHO COc1ccc(C2=CC[N@@H+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168395369 1036648623 /nfs/dbraw/zinc/64/86/23/1036648623.db2.gz XKJLQJASGVUOIX-UHFFFAOYSA-N 1 3 326.484 3.659 20 0 EHADHO COc1ccc(C2=CC[N@H+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168395369 1036648633 /nfs/dbraw/zinc/64/86/33/1036648633.db2.gz XKJLQJASGVUOIX-UHFFFAOYSA-N 1 3 326.484 3.659 20 0 EHADHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCCCC1 ZINC000310902673 1036925422 /nfs/dbraw/zinc/92/54/22/1036925422.db2.gz BEJYEEZMZSQWSS-PCCBWWKXSA-N 1 3 342.527 3.572 20 0 EHADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccnc(Cl)c1 ZINC000162513088 1036930618 /nfs/dbraw/zinc/93/06/18/1036930618.db2.gz XWKQCQVNZDKHQX-AWEZNQCLSA-N 1 3 333.863 3.526 20 0 EHADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000542150327 1037116252 /nfs/dbraw/zinc/11/62/52/1037116252.db2.gz DSCWGLKNSOWUPO-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3c(Br)cccc32)C1 ZINC000542150327 1037116260 /nfs/dbraw/zinc/11/62/60/1037116260.db2.gz DSCWGLKNSOWUPO-CXAGYDPISA-N 1 3 337.305 3.758 20 0 EHADHO COc1ccc(OC)c(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000539852428 1037295127 /nfs/dbraw/zinc/29/51/27/1037295127.db2.gz ZTGVOYMPHFCPQM-UHFFFAOYSA-N 1 3 346.515 3.792 20 0 EHADHO CO[C@](C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000462806668 1037426099 /nfs/dbraw/zinc/42/60/99/1037426099.db2.gz JZRMZTSQMKQTEP-ZHHKINOHSA-N 1 3 342.527 3.692 20 0 EHADHO COC1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000377331800 1037564582 /nfs/dbraw/zinc/56/45/82/1037564582.db2.gz VNCIUBLHIQUASL-QNGMFEMESA-N 1 3 330.516 3.836 20 0 EHADHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463074061 1037739524 /nfs/dbraw/zinc/73/95/24/1037739524.db2.gz OIOARVYCOIAIJT-FCIYXJNOSA-N 1 3 343.559 3.750 20 0 EHADHO C[C@H]1C[C@H]([NH2+]CCN2CCCCCC2)CCN1Cc1ccccc1 ZINC000463140169 1037805738 /nfs/dbraw/zinc/80/57/38/1037805738.db2.gz VFBWHSBTMAHHDZ-PZJWPPBQSA-N 1 3 329.532 3.505 20 0 EHADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000479249324 1037830360 /nfs/dbraw/zinc/83/03/60/1037830360.db2.gz HJQHOCAOYYKRRX-COXVUDFISA-N 1 3 339.321 3.843 20 0 EHADHO Cc1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000538763754 1038529166 /nfs/dbraw/zinc/52/91/66/1038529166.db2.gz UHZXNFHILUTCKQ-HOTGVXAUSA-N 1 3 336.545 3.768 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552251252 1039099334 /nfs/dbraw/zinc/09/93/34/1039099334.db2.gz PPGLUIFDTODVTM-BHIFYINESA-N 1 3 337.511 3.806 20 0 EHADHO Cn1ccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552251252 1039099356 /nfs/dbraw/zinc/09/93/56/1039099356.db2.gz PPGLUIFDTODVTM-BHIFYINESA-N 1 3 337.511 3.806 20 0 EHADHO COc1cccc(SCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000660113678 1039198527 /nfs/dbraw/zinc/19/85/27/1039198527.db2.gz COCVVIASBRGNLQ-UZLBHIALSA-N 1 3 346.540 3.736 20 0 EHADHO COc1cccc(SCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000660113678 1039198533 /nfs/dbraw/zinc/19/85/33/1039198533.db2.gz COCVVIASBRGNLQ-UZLBHIALSA-N 1 3 346.540 3.736 20 0 EHADHO Cc1csc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522052 1039198532 /nfs/dbraw/zinc/19/85/32/1039198532.db2.gz JSKGYTGOAVZSIM-QYZOEREBSA-N 1 3 341.524 3.842 20 0 EHADHO Cc1csc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898522052 1039198536 /nfs/dbraw/zinc/19/85/36/1039198536.db2.gz JSKGYTGOAVZSIM-QYZOEREBSA-N 1 3 341.524 3.842 20 0 EHADHO c1cc(CN2CCC(C[NH2+]C3CC4(C3)CCCCC4)CC2)ccn1 ZINC000668513561 1039227756 /nfs/dbraw/zinc/22/77/56/1039227756.db2.gz UHERCIDVRJLJLE-UHFFFAOYSA-N 1 3 327.516 3.996 20 0 EHADHO CCN(CC)[C@H](CNC1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000236888889 1039273818 /nfs/dbraw/zinc/27/38/18/1039273818.db2.gz OOPFEKJABTUHOZ-OAQYLSRUSA-N 1 3 347.547 3.541 20 0 EHADHO COCCCN1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000237208047 1039323193 /nfs/dbraw/zinc/32/31/93/1039323193.db2.gz DUSLBHFHIKVAOV-UHFFFAOYSA-N 1 3 328.456 3.537 20 0 EHADHO COCCOc1cccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924704315 1039371788 /nfs/dbraw/zinc/37/17/88/1039371788.db2.gz DFFMXDJEHQEVCK-KRWDZBQOSA-N 1 3 342.483 3.624 20 0 EHADHO Cc1cnn(CCCCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000554457475 1039375884 /nfs/dbraw/zinc/37/58/84/1039375884.db2.gz FFRBXECWAURHIO-OAQYLSRUSA-N 1 3 346.563 3.950 20 0 EHADHO COc1cc(C)cc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1OC ZINC000893967103 1039891909 /nfs/dbraw/zinc/89/19/09/1039891909.db2.gz ICUABQIMVAQQFH-UHFFFAOYSA-N 1 3 334.504 3.564 20 0 EHADHO COc1cc(C)cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1OC ZINC000893967103 1039891932 /nfs/dbraw/zinc/89/19/32/1039891932.db2.gz ICUABQIMVAQQFH-UHFFFAOYSA-N 1 3 334.504 3.564 20 0 EHADHO Cc1nc2c(o1)CCC[C@H]2NCC1CC[NH+](Cc2cccs2)CC1 ZINC000924865803 1040343474 /nfs/dbraw/zinc/34/34/74/1040343474.db2.gz IYNXVVYWOGVCOQ-QGZVFWFLSA-N 1 3 345.512 3.924 20 0 EHADHO CC(C)N1CCN(CCC[N@@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000500076339 1040438458 /nfs/dbraw/zinc/43/84/58/1040438458.db2.gz RUCYQSUCGVGVJC-UHFFFAOYSA-N 1 3 335.580 3.839 20 0 EHADHO CC(C)N1CCN(CCC[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000500076339 1040438464 /nfs/dbraw/zinc/43/84/64/1040438464.db2.gz RUCYQSUCGVGVJC-UHFFFAOYSA-N 1 3 335.580 3.839 20 0 EHADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(F)cc1 ZINC000500130238 1040570979 /nfs/dbraw/zinc/57/09/79/1040570979.db2.gz RIQGFRXBUGEDGZ-HXUWFJFHSA-N 1 3 335.511 3.529 20 0 EHADHO COc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000339867402 1040608068 /nfs/dbraw/zinc/60/80/68/1040608068.db2.gz QHCVKIOQHSSWJA-YLJYHZDGSA-N 1 3 339.483 3.575 20 0 EHADHO COc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000339867402 1040608081 /nfs/dbraw/zinc/60/80/81/1040608081.db2.gz QHCVKIOQHSSWJA-YLJYHZDGSA-N 1 3 339.483 3.575 20 0 EHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000487562903 1040959557 /nfs/dbraw/zinc/95/95/57/1040959557.db2.gz TVFKFQXZCRCSMC-WCIQWLHISA-N 1 3 330.541 3.630 20 0 EHADHO CN1CC[C@]2(C1)CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659879 1041757726 /nfs/dbraw/zinc/75/77/26/1041757726.db2.gz RKNLWNAHZADZFM-KRWDZBQOSA-N 1 3 342.405 3.545 20 0 EHADHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)C2 ZINC000660659879 1041757733 /nfs/dbraw/zinc/75/77/33/1041757733.db2.gz RKNLWNAHZADZFM-KRWDZBQOSA-N 1 3 342.405 3.545 20 0 EHADHO Fc1cccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294611 1042664388 /nfs/dbraw/zinc/66/43/88/1042664388.db2.gz CRMICJDKTFCFCN-QGZVFWFLSA-N 1 3 343.446 3.692 20 0 EHADHO CC(C)c1cccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000663322808 1042681568 /nfs/dbraw/zinc/68/15/68/1042681568.db2.gz BHBJJEAUPMZTNX-JOCHJYFZSA-N 1 3 338.495 3.666 20 0 EHADHO CC(C)c1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000663322808 1042681573 /nfs/dbraw/zinc/68/15/73/1042681573.db2.gz BHBJJEAUPMZTNX-JOCHJYFZSA-N 1 3 338.495 3.666 20 0 EHADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc2c1CNC2 ZINC000662417952 1042710867 /nfs/dbraw/zinc/71/08/67/1042710867.db2.gz YDNAWGWTOVQPDF-UHFFFAOYSA-N 1 3 349.478 3.918 20 0 EHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662675402 1042826643 /nfs/dbraw/zinc/82/66/43/1042826643.db2.gz MUDBJSSKCUYDSQ-INIZCTEOSA-N 1 3 341.499 3.674 20 0 EHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662675402 1042826650 /nfs/dbraw/zinc/82/66/50/1042826650.db2.gz MUDBJSSKCUYDSQ-INIZCTEOSA-N 1 3 341.499 3.674 20 0 EHADHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000925786131 1042975509 /nfs/dbraw/zinc/97/55/09/1042975509.db2.gz VWROXGHDTKGTDO-RNCFNFMXSA-N 1 3 335.225 3.815 20 0 EHADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(Br)s2)C1 ZINC000512107214 1043259168 /nfs/dbraw/zinc/25/91/68/1043259168.db2.gz QGUMFBICEQTBSO-VXGBXAGGSA-N 1 3 331.323 3.811 20 0 EHADHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc2cccnc12 ZINC000344112191 1043267956 /nfs/dbraw/zinc/26/79/56/1043267956.db2.gz KPUCLVLBBBBKTR-ROUUACIJSA-N 1 3 341.499 3.522 20 0 EHADHO C[C@@H]1CN(CC2CC[NH+](Cc3cc4ccccc4o3)CC2)C[C@@H](C)O1 ZINC000512176572 1043646765 /nfs/dbraw/zinc/64/67/65/1043646765.db2.gz BBGWNNCJBZTJQC-IAGOWNOFSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN(Cc3cc4ccccc4o3)CC2)C[C@@H](C)O1 ZINC000512176572 1043646770 /nfs/dbraw/zinc/64/67/70/1043646770.db2.gz BBGWNNCJBZTJQC-IAGOWNOFSA-N 1 3 342.483 3.754 20 0 EHADHO C[C@H](NC1(C[NH2+][C@H]2CCN(C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000153840770 1125666362 /nfs/dbraw/zinc/66/63/62/1125666362.db2.gz MFNGZYXXJAJMNY-BJLQDIEVSA-N 1 3 329.532 3.580 20 0 EHADHO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623413300 1126947905 /nfs/dbraw/zinc/94/79/05/1126947905.db2.gz QVOWWFCBCNZSIB-OAHLLOKOSA-N 1 3 325.294 3.720 20 0 EHADHO CC(C)Oc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525545 1126974934 /nfs/dbraw/zinc/97/49/34/1126974934.db2.gz RCNAMLBKVTYYHL-AZUAARDMSA-N 1 3 347.547 3.539 20 0 EHADHO CC(C)Oc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623525545 1126974937 /nfs/dbraw/zinc/97/49/37/1126974937.db2.gz RCNAMLBKVTYYHL-AZUAARDMSA-N 1 3 347.547 3.539 20 0 EHADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623547620 1126978387 /nfs/dbraw/zinc/97/83/87/1126978387.db2.gz VRTDIQMWVCLYEQ-CYBMUJFWSA-N 1 3 348.384 3.588 20 0 EHADHO C[N@H+]1CCC[C@H](CCNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623547620 1126978391 /nfs/dbraw/zinc/97/83/91/1126978391.db2.gz VRTDIQMWVCLYEQ-CYBMUJFWSA-N 1 3 348.384 3.588 20 0 EHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccoc1 ZINC000178211684 1127012968 /nfs/dbraw/zinc/01/29/68/1127012968.db2.gz GEAIMPFSDDDAHF-IBGZPJMESA-N 1 3 341.499 3.528 20 0 EHADHO CC[NH+](CC)CCCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180791332 1127187013 /nfs/dbraw/zinc/18/70/13/1127187013.db2.gz VDIOFFBDLSPERY-UHFFFAOYSA-N 1 3 328.504 3.668 20 0 EHADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(C)ccc1C ZINC000623920896 1127216671 /nfs/dbraw/zinc/21/66/71/1127216671.db2.gz BLTKVQCIKWPOEG-HBMCJLEFSA-N 1 3 330.516 3.722 20 0 EHADHO Cc1ccc(CN2CCSCC2)cc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623941153 1127219595 /nfs/dbraw/zinc/21/95/95/1127219595.db2.gz KWMFQEHUJAUCAO-GOSISDBHSA-N 1 3 347.572 3.829 20 0 EHADHO Cc1ccc(CN2CCSCC2)cc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623941153 1127219596 /nfs/dbraw/zinc/21/95/96/1127219596.db2.gz KWMFQEHUJAUCAO-GOSISDBHSA-N 1 3 347.572 3.829 20 0 EHADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)c(Br)c1 ZINC000624119491 1127255313 /nfs/dbraw/zinc/25/53/13/1127255313.db2.gz CUYHJTZMGFYAPV-CHWSQXEVSA-N 1 3 343.284 3.971 20 0 EHADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322976 1127372325 /nfs/dbraw/zinc/37/23/25/1127372325.db2.gz JVFZSBJMIPDOOB-IIYDPXPESA-N 1 3 345.314 3.828 20 0 EHADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000183322976 1127372327 /nfs/dbraw/zinc/37/23/27/1127372327.db2.gz JVFZSBJMIPDOOB-IIYDPXPESA-N 1 3 345.314 3.828 20 0 EHADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000185254500 1127423138 /nfs/dbraw/zinc/42/31/38/1127423138.db2.gz VMZSYCHCSHEMAI-FUHWJXTLSA-N 1 3 336.495 3.677 20 0 EHADHO CC[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000155278894 1127964139 /nfs/dbraw/zinc/96/41/39/1127964139.db2.gz DJFCMKMBLHCVGV-ZYHUDNBSSA-N 1 3 335.439 3.933 20 0 EHADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)s1 ZINC000623656877 1128452181 /nfs/dbraw/zinc/45/21/81/1128452181.db2.gz DOEXVYZRMLGNRT-NEPJUHHUSA-N 1 3 331.323 3.893 20 0 EHADHO CCC1(N2CCOCC2)CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000624703669 1128460532 /nfs/dbraw/zinc/46/05/32/1128460532.db2.gz UCTNUPFHQRYEHI-UHFFFAOYSA-N 1 3 339.483 3.624 20 0 EHADHO CCC[NH+]1CCC(N[C@H]2CC[C@H](C(=O)OCC)c3ccccc32)CC1 ZINC000338691621 1128595490 /nfs/dbraw/zinc/59/54/90/1128595490.db2.gz WSWBTKRUYUHXKB-PMACEKPBSA-N 1 3 344.499 3.632 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCCS4)[C@H]3C2)cc1 ZINC000542484392 1120572773 /nfs/dbraw/zinc/57/27/73/1120572773.db2.gz YPFSXSRWMNUEEG-MUGJNUQGSA-N 1 3 330.541 3.772 20 0 EHADHO CC(C)N1CCN(CCC[NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC000192798143 1120749597 /nfs/dbraw/zinc/74/95/97/1120749597.db2.gz RIIHXKSDHXOJQD-UHFFFAOYSA-N 1 3 343.559 3.548 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494922621 1120906154 /nfs/dbraw/zinc/90/61/54/1120906154.db2.gz JZDQZXFXGMYRIH-SCTDSRPQSA-N 1 3 347.551 3.774 20 0 EHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H](c2nc[nH]n2)C2CCCCC2)C1 ZINC000494922621 1120906158 /nfs/dbraw/zinc/90/61/58/1120906158.db2.gz JZDQZXFXGMYRIH-SCTDSRPQSA-N 1 3 347.551 3.774 20 0 EHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCCSC4)[C@H]3C2)cc1 ZINC000393909433 1121671401 /nfs/dbraw/zinc/67/14/01/1121671401.db2.gz AOIJEKZMUSQAQU-MUGJNUQGSA-N 1 3 330.541 3.630 20 0 EHADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000397509880 1121761149 /nfs/dbraw/zinc/76/11/49/1121761149.db2.gz KNCGGMBLRQBODK-QGZVFWFLSA-N 1 3 342.458 3.503 20 0 EHADHO C[C@@H]1C[NH+](CC2CCN(C/C=C\c3ccccc3)CC2)C[C@@H](C)O1 ZINC000255368964 1129082470 /nfs/dbraw/zinc/08/24/70/1129082470.db2.gz QFNAYPVGAPUETC-ZHHAWYBESA-N 1 3 328.500 3.521 20 0 EHADHO COCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556858886 1123155252 /nfs/dbraw/zinc/15/52/52/1123155252.db2.gz OWOYYAINHHHATQ-QHAWAJNXSA-N 1 3 330.516 3.693 20 0 EHADHO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556870129 1123160744 /nfs/dbraw/zinc/16/07/44/1123160744.db2.gz DAPNDGQFYSILFQ-RYFAJOAYSA-N 1 3 344.543 3.675 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134919013 1123564784 /nfs/dbraw/zinc/56/47/84/1123564784.db2.gz FESUDMINQADNPZ-QUCCMNQESA-N 1 3 328.500 3.713 20 0 EHADHO Cc1ccccc1OCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134919013 1123564789 /nfs/dbraw/zinc/56/47/89/1123564789.db2.gz FESUDMINQADNPZ-QUCCMNQESA-N 1 3 328.500 3.713 20 0 EHADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096104 1123775133 /nfs/dbraw/zinc/77/51/33/1123775133.db2.gz JGBVZMYRLNOCJA-QAPCUYQASA-N 1 3 329.513 3.972 20 0 EHADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000081096104 1123775136 /nfs/dbraw/zinc/77/51/36/1123775136.db2.gz JGBVZMYRLNOCJA-QAPCUYQASA-N 1 3 329.513 3.972 20 0 EHADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423064 1123822953 /nfs/dbraw/zinc/82/29/53/1123822953.db2.gz JGBVZMYRLNOCJA-MAUKXSAKSA-N 1 3 329.513 3.972 20 0 EHADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000245423064 1123822955 /nfs/dbraw/zinc/82/29/55/1123822955.db2.gz JGBVZMYRLNOCJA-MAUKXSAKSA-N 1 3 329.513 3.972 20 0 EHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000246913315 1124565280 /nfs/dbraw/zinc/56/52/80/1124565280.db2.gz FYJYATXWQPAQSA-HZSPNIEDSA-N 1 3 344.421 3.644 20 0 EHADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248396023 1124656025 /nfs/dbraw/zinc/65/60/25/1124656025.db2.gz GRAURUWPANCTCH-PSWRPDDJSA-N 1 3 344.543 3.675 20 0 EHADHO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411041 1124659454 /nfs/dbraw/zinc/65/94/54/1124659454.db2.gz HVPAIMYUZUGIKR-IJXRJRJASA-N 1 3 330.516 3.690 20 0 EHADHO C(N1CCC[C@H]2CCC[C@H]21)C1(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)COC1 ZINC000248436985 1124663264 /nfs/dbraw/zinc/66/32/64/1124663264.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@H]2CCC[C@H]21)C1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)COC1 ZINC000248436985 1124663269 /nfs/dbraw/zinc/66/32/69/1124663269.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436985 1124663274 /nfs/dbraw/zinc/66/32/74/1124663274.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 1 3 332.532 3.532 20 0 EHADHO C(N1CCC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CCC[C@H]3CCC[C@H]32)COC1 ZINC000248436985 1124663277 /nfs/dbraw/zinc/66/32/77/1124663277.db2.gz SKKXQJYPEVADEB-FGYAAKKASA-N 1 3 332.532 3.532 20 0 EHADHO c1cc(CN[C@@H]2COC3(CCC3)C2)cc(C[NH+]2CCCCCC2)c1 ZINC000657861459 1129581661 /nfs/dbraw/zinc/58/16/61/1129581661.db2.gz SYECCXXXXPPZOI-FQEVSTJZSA-N 1 3 328.500 3.864 20 0 EHADHO C[C@@H](CCc1ccsc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164268 1130221157 /nfs/dbraw/zinc/22/11/57/1130221157.db2.gz CKEPIXLWAMILGI-KRWDZBQOSA-N 1 3 343.540 3.966 20 0 EHADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[C@@H](C)O2)CC1 ZINC000658216859 1130274808 /nfs/dbraw/zinc/27/48/08/1130274808.db2.gz VHISZDBUWXSMDY-OPYAIIAOSA-N 1 3 330.516 3.629 20 0 EHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493423 1130414180 /nfs/dbraw/zinc/41/41/80/1130414180.db2.gz ICQJELFQWWPVPM-PCCBWWKXSA-N 1 3 330.516 3.961 20 0 EHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000675493423 1130414182 /nfs/dbraw/zinc/41/41/82/1130414182.db2.gz ICQJELFQWWPVPM-PCCBWWKXSA-N 1 3 330.516 3.961 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000675751957 1130465158 /nfs/dbraw/zinc/46/51/58/1130465158.db2.gz IQYRXUXTEZZRBY-JYJNAYRXSA-N 1 3 349.906 3.582 20 0 EHADHO Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000675751957 1130465161 /nfs/dbraw/zinc/46/51/61/1130465161.db2.gz IQYRXUXTEZZRBY-JYJNAYRXSA-N 1 3 349.906 3.582 20 0 EHADHO CCN1CC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)[C@H](C)C1 ZINC000675743803 1130469224 /nfs/dbraw/zinc/46/92/24/1130469224.db2.gz VMGAQOJMPFYFSZ-APWZRJJASA-N 1 3 325.456 3.694 20 0 EHADHO C[C@@H]1C[C@@H](NCCN2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000675781443 1130472064 /nfs/dbraw/zinc/47/20/64/1130472064.db2.gz ZQEMLBQAOMOWGE-XXBNENTESA-N 1 3 349.522 3.645 20 0 EHADHO C[C@@H]1C[C@@H](NCCN2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000675781443 1130472067 /nfs/dbraw/zinc/47/20/67/1130472067.db2.gz ZQEMLBQAOMOWGE-XXBNENTESA-N 1 3 349.522 3.645 20 0 EHADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C2)cc1 ZINC001172545247 1131783110 /nfs/dbraw/zinc/78/31/10/1131783110.db2.gz IEUCBBZRYPQDBD-YUMYIRISSA-N 1 3 342.527 3.946 20 0 EHADHO Cc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001172827639 1131854906 /nfs/dbraw/zinc/85/49/06/1131854906.db2.gz DKAOMHYHJHXBRJ-HSZRJFAPSA-N 1 3 349.522 3.749 20 0 EHADHO CC[NH+](CC)C1CCC(NCc2cccnc2Br)CC1 ZINC001173107189 1131969188 /nfs/dbraw/zinc/96/91/88/1131969188.db2.gz KWRTYUMAMODKJN-UHFFFAOYSA-N 1 3 340.309 3.587 20 0 EHADHO CCc1ccc(C[C@H](C)[NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)cc1 ZINC001173243988 1132014986 /nfs/dbraw/zinc/01/49/86/1132014986.db2.gz RAIBBWXSSYBTAV-AVRDEDQJSA-N 1 3 344.543 3.755 20 0 EHADHO CCSC[C@@H](C)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001173294233 1132030185 /nfs/dbraw/zinc/03/01/85/1132030185.db2.gz FZAIRQJEOGBSQY-CQSZACIVSA-N 1 3 326.937 3.817 20 0 EHADHO CCSC[C@@H](C)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001173299982 1132032019 /nfs/dbraw/zinc/03/20/19/1132032019.db2.gz VAYCVVXBXILISD-JHBMCFDKSA-N 1 3 338.520 3.705 20 0 EHADHO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386332204 1132504508 /nfs/dbraw/zinc/50/45/08/1132504508.db2.gz MNMLMRRQLKLNSW-IOMROCGXSA-N 1 3 335.495 3.959 20 0 EHADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169118029 1132661974 /nfs/dbraw/zinc/66/19/74/1132661974.db2.gz CCICAXVGOGYKLJ-BCDXTJNWSA-N 1 3 334.891 3.561 20 0 EHADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3ccc(Cl)cc3)CCOCC1)C2 ZINC001169118029 1132661978 /nfs/dbraw/zinc/66/19/78/1132661978.db2.gz CCICAXVGOGYKLJ-BCDXTJNWSA-N 1 3 334.891 3.561 20 0 EHADHO COC(=O)c1ccc([C@@H]2CCCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169160673 1132682869 /nfs/dbraw/zinc/68/28/69/1132682869.db2.gz KFWWOJYOXMZEAS-NMLBUPMWSA-N 1 3 342.483 3.625 20 0 EHADHO COC(=O)c1ccc([C@@H]2CCCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169160673 1132682873 /nfs/dbraw/zinc/68/28/73/1132682873.db2.gz KFWWOJYOXMZEAS-NMLBUPMWSA-N 1 3 342.483 3.625 20 0 EHADHO CCC[C@@](C)(NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891244 1133007223 /nfs/dbraw/zinc/00/72/23/1133007223.db2.gz CIABDTMUOXFJMM-FCHUYYIVSA-N 1 3 340.511 3.784 20 0 EHADHO CCC[C@@](C)(NC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001176891244 1133007227 /nfs/dbraw/zinc/00/72/27/1133007227.db2.gz CIABDTMUOXFJMM-FCHUYYIVSA-N 1 3 340.511 3.784 20 0 EHADHO COC[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271084 1133352983 /nfs/dbraw/zinc/35/29/83/1133352983.db2.gz BKXHOENNRQSCDZ-IRLDBZIGSA-N 1 3 344.543 3.893 20 0 EHADHO COC[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001180271084 1133352990 /nfs/dbraw/zinc/35/29/90/1133352990.db2.gz BKXHOENNRQSCDZ-IRLDBZIGSA-N 1 3 344.543 3.893 20 0 EHADHO CC(C)(C)[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2CO)CCN(Cc2ccccc2)C1 ZINC001181775035 1133525390 /nfs/dbraw/zinc/52/53/90/1133525390.db2.gz AWTIVGKBNJUDIH-KCZVDYSFSA-N 1 3 344.543 3.675 20 0 EHADHO CC[N@@H+](Cc1ccc(F)nc1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000787194634 1133973395 /nfs/dbraw/zinc/97/33/95/1133973395.db2.gz CACWDLPECGYZSU-IBGZPJMESA-N 1 3 341.474 3.873 20 0 EHADHO CC[N@H+](Cc1ccc(F)nc1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000787194634 1133973401 /nfs/dbraw/zinc/97/34/01/1133973401.db2.gz CACWDLPECGYZSU-IBGZPJMESA-N 1 3 341.474 3.873 20 0 EHADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134820 1134410126 /nfs/dbraw/zinc/41/01/26/1134410126.db2.gz DUSQKDHKQYTTAA-KDXIVRHGSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)C1 ZINC001170134820 1134410128 /nfs/dbraw/zinc/41/01/28/1134410128.db2.gz DUSQKDHKQYTTAA-KDXIVRHGSA-N 1 3 346.559 3.636 20 0 EHADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000790748956 1134461612 /nfs/dbraw/zinc/46/16/12/1134461612.db2.gz SKPUEXOQJRWRJC-KRWDZBQOSA-N 1 3 343.515 3.586 20 0 EHADHO CC[C@@H]1C[C@@H]([NH+]2CCN(c3cc(C)nc4ccccc43)CC2)CCO1 ZINC001170207877 1134706926 /nfs/dbraw/zinc/70/69/26/1134706926.db2.gz NHSXZEKIINUKOQ-ZWKOTPCHSA-N 1 3 339.483 3.623 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)ccc1OC ZINC000775398413 1134725119 /nfs/dbraw/zinc/72/51/19/1134725119.db2.gz YKTAPJHEXVNJGG-YLZJTPGZSA-N 1 3 348.531 3.881 20 0 EHADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1CN1CCCCC1 ZINC000775423238 1134772027 /nfs/dbraw/zinc/77/20/27/1134772027.db2.gz OFIXRFDWLQWSHX-FUHIMQAGSA-N 1 3 346.515 3.899 20 0 EHADHO C[C@H]([NH2+]CCN1CCc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775495814 1134952082 /nfs/dbraw/zinc/95/20/82/1134952082.db2.gz CFKGKPQKPYYGQF-SIKLNZKXSA-N 1 3 349.522 3.549 20 0 EHADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001192918892 1135073172 /nfs/dbraw/zinc/07/31/72/1135073172.db2.gz PRVJLYDVKQEFAN-DLBZAZTESA-N 1 3 344.421 3.680 20 0 EHADHO CC1CC[NH+](CC[C@@H]2CCCN2CC[C@@H](O)c2ccccc2)CC1 ZINC001196936135 1135631642 /nfs/dbraw/zinc/63/16/42/1135631642.db2.gz QDOSKBKAVHKERQ-LEWJYISDSA-N 1 3 330.516 3.697 20 0 EHADHO CCC[NH+](CCC)CCCN1CCN(CCCc2ccccc2)CC1 ZINC001201671099 1136049454 /nfs/dbraw/zinc/04/94/54/1136049454.db2.gz BALMMJXBDWOUNH-UHFFFAOYSA-N 1 3 345.575 3.749 20 0 EHADHO CCCCCN1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001201731732 1136061857 /nfs/dbraw/zinc/06/18/57/1136061857.db2.gz USUPQZCVMXVKLX-GOSISDBHSA-N 1 3 337.458 3.805 20 0 EHADHO CCCCCN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001201731732 1136061859 /nfs/dbraw/zinc/06/18/59/1136061859.db2.gz USUPQZCVMXVKLX-GOSISDBHSA-N 1 3 337.458 3.805 20 0 EHADHO CCCCN1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000509464363 1136153196 /nfs/dbraw/zinc/15/31/96/1136153196.db2.gz NYVQLRXILYCKDY-UHFFFAOYSA-N 1 3 332.517 3.503 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001170678200 1136215360 /nfs/dbraw/zinc/21/53/60/1136215360.db2.gz WSYRHAUYEMAKJN-DLBZAZTESA-N 1 3 334.454 3.819 20 0 EHADHO Fc1cc(F)c2c(c1)CC[C@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001170678200 1136215363 /nfs/dbraw/zinc/21/53/63/1136215363.db2.gz WSYRHAUYEMAKJN-DLBZAZTESA-N 1 3 334.454 3.819 20 0 EHADHO CC[NH+](CC)Cc1cncc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1 ZINC001170685868 1136239715 /nfs/dbraw/zinc/23/97/15/1136239715.db2.gz IKNUTPYVHJDXON-INIZCTEOSA-N 1 3 349.482 3.796 20 0 EHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850443092 1136259927 /nfs/dbraw/zinc/25/99/27/1136259927.db2.gz JVHPMBCKPFCDTK-KURKYZTESA-N 1 3 346.515 3.552 20 0 EHADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)ccc1OC ZINC000850480932 1136266948 /nfs/dbraw/zinc/26/69/48/1136266948.db2.gz CTCJAMAGPVEPDJ-CRAIPNDOSA-N 1 3 334.504 3.755 20 0 EHADHO [NH3+]C1(c2ccccc2C(F)(F)F)CCN([C@H]2CCCOCC2)CC1 ZINC001170795592 1136623226 /nfs/dbraw/zinc/62/32/26/1136623226.db2.gz GDDAXAHCLSGWFJ-AWEZNQCLSA-N 1 3 342.405 3.524 20 0 EHADHO COc1ccc([C@H](C)[NH2+]C[C@@H](OC)C2CC2)cc1CN1CCCCC1 ZINC000815651359 1136626017 /nfs/dbraw/zinc/62/60/17/1136626017.db2.gz QQFMOTLWOWPATD-HRAATJIYSA-N 1 3 346.515 3.757 20 0 EHADHO CC(C)CCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559458 1136794614 /nfs/dbraw/zinc/79/46/14/1136794614.db2.gz OOEDWCSPPUPLRI-FQEVSTJZSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)CCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559458 1136794618 /nfs/dbraw/zinc/79/46/18/1136794618.db2.gz OOEDWCSPPUPLRI-FQEVSTJZSA-N 1 3 333.520 3.811 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccs3)C2)ccn1 ZINC000856560290 1136795464 /nfs/dbraw/zinc/79/54/64/1136795464.db2.gz HAONNLSIFYILSA-GOSISDBHSA-N 1 3 345.512 3.637 20 0 EHADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000856560290 1136795466 /nfs/dbraw/zinc/79/54/66/1136795466.db2.gz HAONNLSIFYILSA-GOSISDBHSA-N 1 3 345.512 3.637 20 0 EHADHO COCc1cc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC ZINC000817963320 1136852262 /nfs/dbraw/zinc/85/22/62/1136852262.db2.gz QVUOXPUCNAJXJF-HUUCEWRRSA-N 1 3 328.456 3.712 20 0 EHADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCN[C@H](C)C3)CC2)cc1 ZINC000817971185 1136853876 /nfs/dbraw/zinc/85/38/76/1136853876.db2.gz KGKZUDYFIKGTRO-ZEXAPNKDSA-N 1 3 330.516 3.670 20 0 EHADHO CC(C)(CO)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820820987 1137005903 /nfs/dbraw/zinc/00/59/03/1137005903.db2.gz CCIGBVINDAOGGS-VCYXJBJXSA-N 1 3 342.527 3.536 20 0 EHADHO CC(C)(CO)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820820987 1137005905 /nfs/dbraw/zinc/00/59/05/1137005905.db2.gz CCIGBVINDAOGGS-VCYXJBJXSA-N 1 3 342.527 3.536 20 0 EHADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170968289 1137032984 /nfs/dbraw/zinc/03/29/84/1137032984.db2.gz CODNODDXGHJSJY-APWZRJJASA-N 1 3 326.459 3.780 20 0 EHADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170968289 1137032985 /nfs/dbraw/zinc/03/29/85/1137032985.db2.gz CODNODDXGHJSJY-APWZRJJASA-N 1 3 326.459 3.780 20 0 EHADHO Fc1cc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cnc1Cl ZINC000865435257 1137283323 /nfs/dbraw/zinc/28/33/23/1137283323.db2.gz FKNBUPUUQPVTJI-MRXNPFEDSA-N 1 3 347.865 3.876 20 0 EHADHO COc1ccc2nc(C)cc(-n3c(CC[NH3+])cc4ccccc43)c2c1 ZINC001171303961 1137406389 /nfs/dbraw/zinc/40/63/89/1137406389.db2.gz KIFCLIKNALTTER-UHFFFAOYSA-N 1 3 331.419 3.997 20 0 EHADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccn1 ZINC000716710587 1137488572 /nfs/dbraw/zinc/48/85/72/1137488572.db2.gz FJUBYKLKYBLNRB-WJMWBRGCSA-N 1 3 335.495 3.828 20 0 EHADHO Cc1cccnc1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716719010 1137488617 /nfs/dbraw/zinc/48/86/17/1137488617.db2.gz PVHJNZMWZRKPOU-BDTNDASRSA-N 1 3 349.522 3.965 20 0 EHADHO CC1CCN(CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171507165 1137494947 /nfs/dbraw/zinc/49/49/47/1137494947.db2.gz KQAIIQRZUPZTEQ-HNNXBMFYSA-N 1 3 340.433 3.673 20 0 EHADHO COc1ccc2c(c1)CC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171614506 1137500770 /nfs/dbraw/zinc/50/07/70/1137500770.db2.gz ZOKYUYSMJJBQRB-QGZVFWFLSA-N 1 3 330.516 3.794 20 0 EHADHO Cc1cccnc1OC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171641938 1137504617 /nfs/dbraw/zinc/50/46/17/1137504617.db2.gz WSCNSJVJRZVOMZ-UHFFFAOYSA-N 1 3 345.531 3.885 20 0 EHADHO Cc1cccnc1OC1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641938 1137504619 /nfs/dbraw/zinc/50/46/19/1137504619.db2.gz WSCNSJVJRZVOMZ-UHFFFAOYSA-N 1 3 345.531 3.885 20 0 EHADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](OCc3ccccc3)C2)CC1(C)C ZINC001171638486 1137504688 /nfs/dbraw/zinc/50/46/88/1137504688.db2.gz ZEPAVHBUULVLME-LJQANCHMSA-N 1 3 330.516 3.929 20 0 EHADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1(C)C ZINC001171638486 1137504690 /nfs/dbraw/zinc/50/46/90/1137504690.db2.gz ZEPAVHBUULVLME-LJQANCHMSA-N 1 3 330.516 3.929 20 0 EHADHO c1ccc(C[NH+]2CCC3(CCCN(Cc4cccnc4)C3)CC2)cc1 ZINC001204077854 1137517840 /nfs/dbraw/zinc/51/78/40/1137517840.db2.gz KJYXAXDLLKDCFI-UHFFFAOYSA-N 1 3 335.495 3.960 20 0 EHADHO CCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171962170 1137519435 /nfs/dbraw/zinc/51/94/35/1137519435.db2.gz BSJJKIUUYUZDEI-FQEVSTJZSA-N 1 3 329.532 3.504 20 0 EHADHO CCC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969171 1137523344 /nfs/dbraw/zinc/52/33/44/1137523344.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 1 3 340.433 3.910 20 0 EHADHO CCC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001171969171 1137523346 /nfs/dbraw/zinc/52/33/46/1137523346.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 1 3 340.433 3.910 20 0 EHADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969171 1137523348 /nfs/dbraw/zinc/52/33/48/1137523348.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 1 3 340.433 3.910 20 0 EHADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001171969171 1137523349 /nfs/dbraw/zinc/52/33/49/1137523349.db2.gz ZORNABNZDZEWMD-OIISXLGYSA-N 1 3 340.433 3.910 20 0 EHADHO C[C@@H](CN1CCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062703 1137533095 /nfs/dbraw/zinc/53/30/95/1137533095.db2.gz QUULFEXRMZYQMW-JKLQHZFJSA-N 1 3 341.543 3.646 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128104 1137534898 /nfs/dbraw/zinc/53/48/98/1137534898.db2.gz OVDPDMDCAMKJMF-MEWRGDBZSA-N 1 3 348.494 3.532 20 0 EHADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001172128104 1137534900 /nfs/dbraw/zinc/53/49/00/1137534900.db2.gz OVDPDMDCAMKJMF-MEWRGDBZSA-N 1 3 348.494 3.532 20 0 EHADHO COc1ccc(C2=CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172130622 1137535333 /nfs/dbraw/zinc/53/53/33/1137535333.db2.gz QQFVTHDSFYFYTC-PMOLBWCYSA-N 1 3 326.484 3.800 20 0 EHADHO COc1ccc(C2=CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172130622 1137535334 /nfs/dbraw/zinc/53/53/34/1137535334.db2.gz QQFVTHDSFYFYTC-PMOLBWCYSA-N 1 3 326.484 3.800 20 0 EHADHO CCOCC[C@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172414787 1137556002 /nfs/dbraw/zinc/55/60/02/1137556002.db2.gz HLSLWRKNRWNRIS-INIZCTEOSA-N 1 3 338.923 3.957 20 0 EHADHO c1c(CN2CCCCC[C@@H]2c2ccncc2)sc2c1C[NH2+]CC2 ZINC000873200342 1137593847 /nfs/dbraw/zinc/59/38/47/1137593847.db2.gz DWIIFGNPGLODRM-GOSISDBHSA-N 1 3 327.497 3.906 20 0 EHADHO Oc1cccc(CN(Cc2cc3c(s2)CC[NH2+]C3)CC2CC2)c1 ZINC000873204945 1137593979 /nfs/dbraw/zinc/59/39/79/1137593979.db2.gz JPRDIKJUFKMVBS-UHFFFAOYSA-N 1 3 328.481 3.512 20 0 EHADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2ncccc12 ZINC000873282112 1137596389 /nfs/dbraw/zinc/59/63/89/1137596389.db2.gz BWQGRSOIVCLNRM-UNMCSNQZSA-N 1 3 345.446 3.580 20 0 EHADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000125883010 1137649614 /nfs/dbraw/zinc/64/96/14/1137649614.db2.gz QRRAYNPGXURMOI-CRAIPNDOSA-N 1 3 347.503 3.660 20 0 EHADHO C[NH+](C)CCCOc1ccc(CNCc2cccc(Cl)c2N)cc1 ZINC000877007643 1137667555 /nfs/dbraw/zinc/66/75/55/1137667555.db2.gz ZHCUFGPOXLEGOS-UHFFFAOYSA-N 1 3 347.890 3.543 20 0 EHADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000877684124 1137685710 /nfs/dbraw/zinc/68/57/10/1137685710.db2.gz HHMRZPGFGLGCHR-UHFFFAOYSA-N 1 3 332.536 3.563 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)O2)cc1 ZINC000878286894 1137709895 /nfs/dbraw/zinc/70/98/95/1137709895.db2.gz UXKYDZRDDJGJAY-FKVLARQCSA-N 1 3 340.511 3.855 20 0 EHADHO c1ccc([C@@H]2CC[C@H](CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)O2)cc1 ZINC000878286894 1137709896 /nfs/dbraw/zinc/70/98/96/1137709896.db2.gz UXKYDZRDDJGJAY-FKVLARQCSA-N 1 3 340.511 3.855 20 0 EHADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000880476088 1137779822 /nfs/dbraw/zinc/77/98/22/1137779822.db2.gz NGTASQRYUVWAPL-WOJBJXKFSA-N 1 3 328.500 3.857 20 0 EHADHO Fc1ccc([C@@H](NC2CC[NH+](CC3CC3)CC2)C2CCOCC2)cc1 ZINC000883175102 1137847188 /nfs/dbraw/zinc/84/71/88/1137847188.db2.gz ZCBMDMKVPPULAF-OAQYLSRUSA-N 1 3 346.490 3.757 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1 ZINC000348255150 1137883747 /nfs/dbraw/zinc/88/37/47/1137883747.db2.gz RKBVEOJAEAQWEL-KRWDZBQOSA-N 1 3 340.515 3.953 20 0 EHADHO Cc1nccn1-c1ccc([C@H](C)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000348255150 1137883748 /nfs/dbraw/zinc/88/37/48/1137883748.db2.gz RKBVEOJAEAQWEL-KRWDZBQOSA-N 1 3 340.515 3.953 20 0 EHADHO COCCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886540912 1138093437 /nfs/dbraw/zinc/09/34/37/1138093437.db2.gz MQJDOXZZMDWCIS-ACRUOGEOSA-N 1 3 342.527 3.836 20 0 EHADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000132856270 1138606799 /nfs/dbraw/zinc/60/67/99/1138606799.db2.gz QVBYQCXYLMJMSL-IRXDYDNUSA-N 1 3 342.483 3.893 20 0 EHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000178413495 1139692950 /nfs/dbraw/zinc/69/29/50/1139692950.db2.gz SIWWCPATWXWHHU-CQSZACIVSA-N 1 3 330.501 3.650 20 0 EHADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000183155532 1140016923 /nfs/dbraw/zinc/01/69/23/1140016923.db2.gz XGWPKTBSLCFYLG-XSDIEEQYSA-N 1 3 342.527 3.834 20 0 EHADHO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502681 1140467965 /nfs/dbraw/zinc/46/79/65/1140467965.db2.gz MRZFLONRXDAULW-RTWAWAEBSA-N 1 3 343.559 3.589 20 0 EHADHO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191502681 1140467967 /nfs/dbraw/zinc/46/79/67/1140467967.db2.gz MRZFLONRXDAULW-RTWAWAEBSA-N 1 3 343.559 3.589 20 0 EHADHO CC[C@H](c1ccccc1)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270936020 1141284943 /nfs/dbraw/zinc/28/49/43/1141284943.db2.gz QSWHPYPPMAQHES-OAQYLSRUSA-N 1 3 329.532 3.628 20 0 EHADHO