smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C(c2ccccc2)[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000060048661 280478448 /nfs/dbraw/zinc/47/84/48/280478448.db2.gz VNDVISUTMASKQP-FQEVSTJZSA-N 2 0 349.522 3.393 50 0 EGAARP c1ccc(C(c2ccccc2)[NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000060048659 454267135 /nfs/dbraw/zinc/26/71/35/454267135.db2.gz VNDVISUTMASKQP-HXUWFJFHSA-N 2 0 349.522 3.393 50 0 EGAARP Cc1cc(-n2nc(-c3ccncc3)nc2[C@@H](C)C[NH+]2CCCC2)cc[nH+]1 ZINC000097631926 454442014 /nfs/dbraw/zinc/44/20/14/454442014.db2.gz KBYODJBZUGRXCM-HNNXBMFYSA-N 2 0 348.454 3.232 50 0 EGAARP C[C@H](C1CC[NH+](Cc2ccnc3ccccc23)CC1)[NH+]1CCOCC1 ZINC000065508944 454580497 /nfs/dbraw/zinc/58/04/97/454580497.db2.gz INRXGXNEBAVSSF-QGZVFWFLSA-N 2 0 339.483 3.168 50 0 EGAARP CC(C)n1ccnc1C1CC[NH+](CCC(=O)Nc2nccs2)CC1 ZINC000252509583 455816954 /nfs/dbraw/zinc/81/69/54/455816954.db2.gz YQUFTVYYHTZASW-UHFFFAOYSA-N 2 0 347.488 3.129 50 0 EGAARP C[N@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C1CCOCC1 ZINC000011714248 1291128531 /nfs/dbraw/zinc/12/85/31/1291128531.db2.gz MEPGQILWNPTWQB-UHFFFAOYSA-N 2 0 334.479 3.191 50 0 EGAARP COc1cccc(OC)c1C[N@H+](C)[C@H]1C[C@H]2C[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001704352887 1416453410 /nfs/dbraw/zinc/45/34/10/1416453410.db2.gz LXXVKPDMZDMRIF-WNKDZCFJSA-N 2 0 332.488 3.254 50 0 EGAARP OC1(C[NH+]2CCCC2)CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000215720576 241140466 /nfs/dbraw/zinc/14/04/66/241140466.db2.gz NTOBMJYOABEOMZ-UHFFFAOYSA-N 2 0 340.467 3.369 50 0 EGAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]21 ZINC000101992978 204029202 /nfs/dbraw/zinc/02/92/02/204029202.db2.gz SZBYBVBZWVAAFV-LDLYASANSA-N 2 0 346.478 3.241 50 0 EGAARP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012701720 453392872 /nfs/dbraw/zinc/39/28/72/453392872.db2.gz SVIJTTUWHFSSCW-GOSISDBHSA-N 2 0 337.552 3.076 50 0 EGAARP c1cn(Cc2ccccc2)c(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067696622 453957773 /nfs/dbraw/zinc/95/77/73/453957773.db2.gz KZVDWCJRRIOKIE-UHFFFAOYSA-N 2 0 338.499 3.333 50 0 EGAARP c1coc([C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)N2CCCC2)c1 ZINC000067820090 453969477 /nfs/dbraw/zinc/96/94/77/453969477.db2.gz OKIBRFWBMSGRMW-SFHVURJKSA-N 2 0 331.504 3.319 50 0 EGAARP COc1cc(C[N@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1 ZINC001704349958 1416452626 /nfs/dbraw/zinc/45/26/26/1416452626.db2.gz MFRBVRJYINCPKG-USTZCAOPSA-N 2 0 332.488 3.254 50 0 EGAARP COC1CC[NH+](Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000215545066 241131645 /nfs/dbraw/zinc/13/16/45/241131645.db2.gz ZPLCIFLBAKWTIG-UHFFFAOYSA-N 2 0 332.488 3.162 50 0 EGAARP CC1(C)CC([N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000067654566 453953586 /nfs/dbraw/zinc/95/35/86/453953586.db2.gz KAMGYWNBURLGCV-OAHLLOKOSA-N 2 0 329.488 3.286 50 0 EGAARP O=C1CCCN1c1ccc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000067712581 202927640 /nfs/dbraw/zinc/92/76/40/202927640.db2.gz RNJAUAKDPCDHDK-UHFFFAOYSA-N 2 0 341.499 3.215 50 0 EGAARP C[C@@H](C1CC[NH+](Cc2ccc3occc3c2)CC1)[NH+]1CCN(C)CC1 ZINC000077406410 203386604 /nfs/dbraw/zinc/38/66/04/203386604.db2.gz AZYGFMLTLDSQBA-KRWDZBQOSA-N 2 0 341.499 3.281 50 0 EGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000077535100 203393864 /nfs/dbraw/zinc/39/38/64/203393864.db2.gz XMEYCNXFVBOCGC-UHFFFAOYSA-N 2 0 347.466 3.288 50 0 EGAARP Fc1ccccc1COc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434650 453291355 /nfs/dbraw/zinc/29/13/55/453291355.db2.gz BUKWRGFGAJBFNQ-UHFFFAOYSA-N 2 0 328.431 3.494 50 0 EGAARP CC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015074729 1291145847 /nfs/dbraw/zinc/14/58/47/1291145847.db2.gz IDKSPFIZCTUWQU-HXUWFJFHSA-N 2 0 342.483 3.010 50 0 EGAARP CC(C)Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)s1 ZINC000821459914 1320014690 /nfs/dbraw/zinc/01/46/90/1320014690.db2.gz NGYYXDKFWLVXFZ-UHFFFAOYSA-N 2 0 336.545 3.369 50 0 EGAARP Cc1nccn1CCC[NH2+]C1CCN(c2cccc(Cl)c2)CC1 ZINC000825584162 1320348233 /nfs/dbraw/zinc/34/82/33/1320348233.db2.gz ZFBPOVQWYNPKSC-UHFFFAOYSA-N 2 0 332.879 3.494 50 0 EGAARP Cc1cc(N2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc[nH+]1 ZINC000072151167 203173272 /nfs/dbraw/zinc/17/32/72/203173272.db2.gz OMBFGXMCTHBLAZ-UHFFFAOYSA-N 2 0 347.466 3.288 50 0 EGAARP CSc1cccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1 ZINC000077406431 203385832 /nfs/dbraw/zinc/38/58/32/203385832.db2.gz DPLRSPXYHGWOPA-QGZVFWFLSA-N 2 0 347.572 3.256 50 0 EGAARP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004859447 452821661 /nfs/dbraw/zinc/82/16/61/452821661.db2.gz VTZLVAXMWLFFNO-HLIPFELVSA-N 2 0 334.504 3.045 50 0 EGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386881 453359674 /nfs/dbraw/zinc/35/96/74/453359674.db2.gz HHNGTEZNMJRCMS-QGZVFWFLSA-N 2 0 335.536 3.020 50 0 EGAARP Cc1ccc(C[NH+]2CCC(N(C)CC[NH+](C)C)CC2)c2cccnc12 ZINC000097346784 454432140 /nfs/dbraw/zinc/43/21/40/454432140.db2.gz SOBSSSICDZZHRW-UHFFFAOYSA-N 2 0 340.515 3.001 50 0 EGAARP Cn1cncc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091518986 454443491 /nfs/dbraw/zinc/44/34/91/454443491.db2.gz PDKPJKAQIUXSJI-IBGZPJMESA-N 2 0 338.499 3.122 50 0 EGAARP [NH3+]CCC[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063856369 454455943 /nfs/dbraw/zinc/45/59/43/454455943.db2.gz QLBFMPFWXLZSER-UHFFFAOYSA-N 2 0 327.447 3.400 50 0 EGAARP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000091724631 454462031 /nfs/dbraw/zinc/46/20/31/454462031.db2.gz LWNNGERRCBLOOC-MRXNPFEDSA-N 2 0 329.423 3.145 50 0 EGAARP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425633 535975452 /nfs/dbraw/zinc/97/54/52/535975452.db2.gz LMJPIZDMUJNKLK-JOCHJYFZSA-N 2 0 338.495 3.207 50 0 EGAARP Cc1nnc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001232246537 1376423152 /nfs/dbraw/zinc/42/31/52/1376423152.db2.gz IDPWZIPEWGOKOK-UHFFFAOYSA-N 2 0 330.501 3.191 50 0 EGAARP Cc1ccc(-c2ccc(C[NH+]3CCC(CO)(C[NH+](C)C)CC3)cc2)o1 ZINC000215900731 241154609 /nfs/dbraw/zinc/15/46/09/241154609.db2.gz JJBVOTOFDFXSDM-UHFFFAOYSA-N 2 0 342.483 3.391 50 0 EGAARP Cn1c2ccccc2nc1C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000072479286 203233363 /nfs/dbraw/zinc/23/33/63/203233363.db2.gz KNVBIGMRQIMNJI-UHFFFAOYSA-N 2 0 348.494 3.454 50 0 EGAARP CCC[C@@H]1CN(C(=O)c2cc(C[NH+](CC)CC)oc2C)C[C@H]1[NH+](C)C ZINC000082099042 276030421 /nfs/dbraw/zinc/03/04/21/276030421.db2.gz VDZJVFUITSVICM-VQIMIIECSA-N 2 0 349.519 3.232 50 0 EGAARP c1ccc(C[NH+]2CCC(N3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000019371842 280479845 /nfs/dbraw/zinc/47/98/45/280479845.db2.gz VBHWUHBSNALBRA-UHFFFAOYSA-N 2 0 327.516 3.211 50 0 EGAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OCC ZINC000016578565 453612255 /nfs/dbraw/zinc/61/22/55/453612255.db2.gz FTEGBLSYOKUOTG-UHFFFAOYSA-N 2 0 326.868 3.227 50 0 EGAARP C[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1nc(-c2ccccn2)no1 ZINC000067804635 453967704 /nfs/dbraw/zinc/96/77/04/453967704.db2.gz IAHUGOIPLBYFBQ-AWEZNQCLSA-N 2 0 341.459 3.095 50 0 EGAARP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC000067854955 453972988 /nfs/dbraw/zinc/97/29/88/453972988.db2.gz LIFXSCGLDIPOSQ-UHFFFAOYSA-N 2 0 332.488 3.402 50 0 EGAARP C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095504811 454223942 /nfs/dbraw/zinc/22/39/42/454223942.db2.gz RGVUDIJCNXRGMP-KRWDZBQOSA-N 2 0 349.482 3.377 50 0 EGAARP C[NH+](C)CCCC[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000019812954 202021954 /nfs/dbraw/zinc/02/19/54/202021954.db2.gz LKGZPQDDLZZMJE-UHFFFAOYSA-N 2 0 332.517 3.150 50 0 EGAARP C[C@H](C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000072412427 203218103 /nfs/dbraw/zinc/21/81/03/203218103.db2.gz VNCADAUBZDBHLA-RCAFFNEUSA-N 2 0 332.463 3.272 50 0 EGAARP CCc1oc2ccccc2c1C[N@@H+]1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067677096 453955219 /nfs/dbraw/zinc/95/52/19/453955219.db2.gz VEBOGOIPVWQPKV-UHFFFAOYSA-N 2 0 341.499 3.207 50 0 EGAARP CC(C)Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)s1 ZINC000067696487 453957528 /nfs/dbraw/zinc/95/75/28/453957528.db2.gz BUFVYTQZECILBK-UHFFFAOYSA-N 2 0 335.561 3.158 50 0 EGAARP O=C1CCCN1CCC1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067850492 453972229 /nfs/dbraw/zinc/97/22/29/453972229.db2.gz YGUUDMDHRXKVKH-UHFFFAOYSA-N 2 0 347.547 3.023 50 0 EGAARP c1cn(C[C@@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cn1 ZINC000097730025 454445132 /nfs/dbraw/zinc/44/51/32/454445132.db2.gz LXCINOWOSVEDIR-QGZVFWFLSA-N 2 0 344.528 3.453 50 0 EGAARP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065397283 454560041 /nfs/dbraw/zinc/56/00/41/454560041.db2.gz NEEXSKXZZIKUNV-FQEVSTJZSA-N 2 0 338.499 3.494 50 0 EGAARP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1 ZINC000952985419 1334630901 /nfs/dbraw/zinc/63/09/01/1334630901.db2.gz SMNSTDYMCAWDGG-KRWDZBQOSA-N 2 0 331.847 3.402 50 0 EGAARP COc1ccc2cc(C[NH2+]CCC[N@@H+]3CCCC[C@H]3CO)ccc2c1 ZINC000952986855 1334631174 /nfs/dbraw/zinc/63/11/74/1334631174.db2.gz BIVGDHSTXRRJPI-FQEVSTJZSA-N 2 0 342.483 3.175 50 0 EGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000002479892 452699553 /nfs/dbraw/zinc/69/95/53/452699553.db2.gz OEEIGVILHMBUJJ-UHFFFAOYSA-N 2 0 345.453 3.411 50 0 EGAARP CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2-c1cc[nH+]cc1 ZINC000005348439 452862389 /nfs/dbraw/zinc/86/23/89/452862389.db2.gz YINPRSHFONDMSZ-UHFFFAOYSA-N 2 0 338.459 3.186 50 0 EGAARP c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970557 /nfs/dbraw/zinc/97/05/57/453970557.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 2 0 327.516 3.115 50 0 EGAARP C[NH+](C)Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1 ZINC000095519167 454226846 /nfs/dbraw/zinc/22/68/46/454226846.db2.gz XDAONSBDICTFQU-FUHWJXTLSA-N 2 0 333.545 3.116 50 0 EGAARP CCOCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000426556059 457853819 /nfs/dbraw/zinc/85/38/19/457853819.db2.gz VUQLVHCOMYCZCF-FQEVSTJZSA-N 2 0 332.488 3.020 50 0 EGAARP C[NH+](C)Cc1csc(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000219170361 536060713 /nfs/dbraw/zinc/06/07/13/536060713.db2.gz FOFRZAJZWAIYSR-UHFFFAOYSA-N 2 0 343.540 3.170 50 0 EGAARP CC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015074728 1291146099 /nfs/dbraw/zinc/14/60/99/1291146099.db2.gz IDKSPFIZCTUWQU-FQEVSTJZSA-N 2 0 342.483 3.010 50 0 EGAARP Cc1ccc(-n2ncc3c2ncnc3NCCCn2ccnc2)c(C)c1 ZINC000003912193 210093267 /nfs/dbraw/zinc/09/32/67/210093267.db2.gz PWGWVVNEIJVBET-UHFFFAOYSA-N 2 0 347.426 3.131 50 0 EGAARP CC(C)Oc1cccc(C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000072480338 216260618 /nfs/dbraw/zinc/26/06/18/216260618.db2.gz NAFVYOFYIXSUNS-GOSISDBHSA-N 2 0 346.515 3.407 50 0 EGAARP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000243956787 243035791 /nfs/dbraw/zinc/03/57/91/243035791.db2.gz CDWRUSFCNCGRMD-UHFFFAOYSA-N 2 0 327.516 3.070 50 0 EGAARP CC1(C)Cc2occc2[C@H](NCc2ccncc2O[C@H]2CC[NH2+]C2)C1 ZINC000685942130 550456428 /nfs/dbraw/zinc/45/64/28/550456428.db2.gz GFKZEWIHLSUDGR-DOTOQJQBSA-N 2 0 341.455 3.219 50 0 EGAARP Cc1nc(CN(CC[NH+](C)C)Cc2ccccc2C(F)(F)F)c[nH]1 ZINC001704314404 1416439531 /nfs/dbraw/zinc/43/95/31/1416439531.db2.gz YXWKDPCFYBGLJH-UHFFFAOYSA-N 2 0 340.393 3.301 50 0 EGAARP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@H+](C)Cc3cccc(-n4cccn4)c3)C[C@@H]2C1 ZINC001704351748 1416453086 /nfs/dbraw/zinc/45/30/86/1416453086.db2.gz RFLUQSUQSKZTFT-GHSBBIOCSA-N 2 0 338.499 3.423 50 0 EGAARP CC(C)[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821539 215223538 /nfs/dbraw/zinc/22/35/38/215223538.db2.gz MJKQIOVSTAGHOB-INIZCTEOSA-N 2 0 327.472 3.080 50 0 EGAARP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1C ZINC000002893767 452733467 /nfs/dbraw/zinc/73/34/67/452733467.db2.gz FMCGTFIHRHEAJP-UHFFFAOYSA-N 2 0 335.536 3.017 50 0 EGAARP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c(F)c1 ZINC000077489697 454112949 /nfs/dbraw/zinc/11/29/49/454112949.db2.gz RJBWGICITJYESF-UHFFFAOYSA-N 2 0 329.419 3.250 50 0 EGAARP C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCC2)c1 ZINC000095523853 454228180 /nfs/dbraw/zinc/22/81/80/454228180.db2.gz AGLPWZSJDDXOHQ-KRWDZBQOSA-N 2 0 344.503 3.278 50 0 EGAARP C[C@@H](c1cccc(C[N@H+](CCO)Cc2ccc(F)cc2)c1)[NH+](C)C ZINC000220472065 456040276 /nfs/dbraw/zinc/04/02/76/456040276.db2.gz PHNMRFFDKSFMSS-INIZCTEOSA-N 2 0 330.447 3.443 50 0 EGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000067878550 215237467 /nfs/dbraw/zinc/23/74/67/215237467.db2.gz RKFUHZHPVRCGBD-UHFFFAOYSA-N 2 0 347.466 3.288 50 0 EGAARP c1coc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000012304979 211338689 /nfs/dbraw/zinc/33/86/89/211338689.db2.gz FMBGBSMSEUKDJG-LJQANCHMSA-N 2 0 325.456 3.409 50 0 EGAARP CC[N@H+](Cc1ccncc1)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000299781879 258090598 /nfs/dbraw/zinc/09/05/98/258090598.db2.gz UZPABBUDBRLEBR-UHFFFAOYSA-N 2 0 325.456 3.235 50 0 EGAARP [NH3+]CCC[NH2+]C1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000063870976 454457355 /nfs/dbraw/zinc/45/73/55/454457355.db2.gz UJABXASKQSPLJZ-UHFFFAOYSA-N 2 0 327.447 3.400 50 0 EGAARP OCC1(C[NH+]2CCCC2)CC[NH+](C2CCc3ccccc3CC2)CC1 ZINC000222404397 456047127 /nfs/dbraw/zinc/04/71/27/456047127.db2.gz NGRMYJCCPQXLAM-UHFFFAOYSA-N 2 0 342.527 3.104 50 0 EGAARP c1cc(CN2CCOC3(CC[NH+](Cc4cncs4)CC3)C2)cs1 ZINC000829083530 1292537327 /nfs/dbraw/zinc/53/73/27/1292537327.db2.gz GOAGQDROWTXQIP-UHFFFAOYSA-N 2 0 349.525 3.072 50 0 EGAARP CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cn1ccnc1C ZINC000822718128 1320116675 /nfs/dbraw/zinc/11/66/75/1320116675.db2.gz LWASAIRPFYXTRN-GOSISDBHSA-N 2 0 340.471 3.443 50 0 EGAARP C[C@H]1CCC[N@H+](CCOc2ccccc2C[NH+](C)CC2(C)COC2)C1 ZINC000823683721 1320197986 /nfs/dbraw/zinc/19/79/86/1320197986.db2.gz BLAPIFZGYHJBDL-SFHVURJKSA-N 2 0 346.515 3.266 50 0 EGAARP C[N@H+](CCCn1cccn1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823719933 1320201130 /nfs/dbraw/zinc/20/11/30/1320201130.db2.gz YNKAYULAXVWVRV-UHFFFAOYSA-N 2 0 332.517 3.453 50 0 EGAARP Cc1cc(C)n(C[C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000952968448 1334627021 /nfs/dbraw/zinc/62/70/21/1334627021.db2.gz LUIAAJYVUOSSCA-SFHVURJKSA-N 2 0 340.515 3.390 50 0 EGAARP CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952984294 1334630684 /nfs/dbraw/zinc/63/06/84/1334630684.db2.gz ZMPXVUCHILDACX-IBGZPJMESA-N 2 0 329.488 3.485 50 0 EGAARP Cc1cccc(C[NH+]2CCN(CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC000072156906 216047020 /nfs/dbraw/zinc/04/70/20/216047020.db2.gz JVVXPIUCLMSWCG-UHFFFAOYSA-N 2 0 329.532 3.235 50 0 EGAARP CCC[NH+]1CCC(CC[NH2+]Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091707673 218052846 /nfs/dbraw/zinc/05/28/46/218052846.db2.gz QCDHZNCBMOJESH-UHFFFAOYSA-N 2 0 341.499 3.438 50 0 EGAARP Cc1ccc2[nH+]ccc(N3CCC([C@@H](C)[NH+]4CCOCC4)CC3)c2c1 ZINC000095391778 218323519 /nfs/dbraw/zinc/32/35/19/218323519.db2.gz PTHOHRYIQGKWNI-QGZVFWFLSA-N 2 0 339.483 3.480 50 0 EGAARP C[C@H](c1cccc(CN2CC[NH+](C3CCSCC3)CC2)c1)[NH+](C)C ZINC000216300257 290246452 /nfs/dbraw/zinc/24/64/52/290246452.db2.gz HXBXPLHOAXLRIC-QGZVFWFLSA-N 2 0 347.572 3.322 50 0 EGAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008377048 453199153 /nfs/dbraw/zinc/19/91/53/453199153.db2.gz BECVRFWGBFHMOB-UHFFFAOYSA-N 2 0 332.419 3.112 50 0 EGAARP OCC1(C[NH+]2CCCC2)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000220609410 456040848 /nfs/dbraw/zinc/04/08/48/456040848.db2.gz NWYFRGOOTFBASV-ONEGZZNKSA-N 2 0 332.463 3.009 50 0 EGAARP Clc1ccc(C[N@@H+]2C[C@@H]3[C@H](C[NH+]4CCCC4)[C@H]4CC[C@]3(C2)O4)cc1 ZINC001704314638 1416440255 /nfs/dbraw/zinc/44/02/55/1416440255.db2.gz VDUSGZFHSUOWGS-MTQWCTHYSA-N 2 0 346.902 3.415 50 0 EGAARP CSc1ccc(C[N@H+](CCO)CC2CC[NH+](C(C)C)CC2)cc1 ZINC000055403514 214320645 /nfs/dbraw/zinc/32/06/45/214320645.db2.gz DGPTVTSMXJNODM-UHFFFAOYSA-N 2 0 336.545 3.323 50 0 EGAARP CC(C)c1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003683840 210073276 /nfs/dbraw/zinc/07/32/76/210073276.db2.gz MLTXBLOLEYNQRX-SFHVURJKSA-N 2 0 348.531 3.449 50 0 EGAARP Clc1nc2sccn2c1C[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000067714735 215192361 /nfs/dbraw/zinc/19/23/61/215192361.db2.gz ISRBKDRJUUXHIR-UHFFFAOYSA-N 2 0 338.908 3.405 50 0 EGAARP CC1(C)CC([N@@H+]2CCC[C@@H](OCc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000067965681 215262152 /nfs/dbraw/zinc/26/21/52/215262152.db2.gz LSLRTFMXGCNZLU-GOSISDBHSA-N 2 0 331.504 3.372 50 0 EGAARP CC(C)Oc1cccc(C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000072480339 216260816 /nfs/dbraw/zinc/26/08/16/216260816.db2.gz NAFVYOFYIXSUNS-SFHVURJKSA-N 2 0 346.515 3.407 50 0 EGAARP C[NH+](C)C1(CNC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CCCCC1 ZINC000020996232 212196579 /nfs/dbraw/zinc/19/65/79/212196579.db2.gz CXPIMOMOZKGGOQ-CQSZACIVSA-N 2 0 335.517 3.167 50 0 EGAARP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000012225209 453349766 /nfs/dbraw/zinc/34/97/66/453349766.db2.gz PWTWHGYJMNMZIF-UHFFFAOYSA-N 2 0 334.479 3.191 50 0 EGAARP C[C@H](C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077538171 454119461 /nfs/dbraw/zinc/11/94/61/454119461.db2.gz VIIVEBRMAPYYJR-OAJJDEHYSA-N 2 0 345.506 3.187 50 0 EGAARP c1cn(C[C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cn1 ZINC000097730026 219051728 /nfs/dbraw/zinc/05/17/28/219051728.db2.gz LXCINOWOSVEDIR-KRWDZBQOSA-N 2 0 344.528 3.453 50 0 EGAARP Cc1nc2ccccn2c1C[NH+]1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072410801 216202969 /nfs/dbraw/zinc/20/29/69/216202969.db2.gz HVULPKCTIDCLRZ-KRWDZBQOSA-N 2 0 326.488 3.339 50 0 EGAARP Cc1cc(C)n(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)n1 ZINC000014957279 453549002 /nfs/dbraw/zinc/54/90/02/453549002.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 2 0 344.547 3.478 50 0 EGAARP O=C(C[NH+]1CCCCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012587787 1291133088 /nfs/dbraw/zinc/13/30/88/1291133088.db2.gz MNFNKNKMNNEDQX-LJQANCHMSA-N 2 0 335.536 3.023 50 0 EGAARP CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952984297 1334630768 /nfs/dbraw/zinc/63/07/68/1334630768.db2.gz ZMPXVUCHILDACX-LJQANCHMSA-N 2 0 329.488 3.485 50 0 EGAARP CN1Cc2ccccc2C[C@@H]1C[N@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000952989268 1334631567 /nfs/dbraw/zinc/63/15/67/1334631567.db2.gz QHESGQKBVVCTPK-OAQYLSRUSA-N 2 0 341.543 3.287 50 0 EGAARP C[C@@H](C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000072412426 216205498 /nfs/dbraw/zinc/20/54/98/216205498.db2.gz VNCADAUBZDBHLA-YATRRXNKSA-N 2 0 332.463 3.272 50 0 EGAARP C[C@@H](c1cccc(C[NH+]2CCC(c3nccn3C)CC2)c1)[NH+](C)C ZINC000215243809 241114197 /nfs/dbraw/zinc/11/41/97/241114197.db2.gz CGBYOASCWYRZAU-INIZCTEOSA-N 2 0 326.488 3.422 50 0 EGAARP CC(C)[N@@H+]1CC[C@H](C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758131 243074808 /nfs/dbraw/zinc/07/48/08/243074808.db2.gz OSWHYCPUVFPDGS-MRXNPFEDSA-N 2 0 336.907 3.354 50 0 EGAARP CC(C)[NH+]1CCC(CNC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000020166427 212108465 /nfs/dbraw/zinc/10/84/65/212108465.db2.gz IHSWAIOPYZRASH-OAHLLOKOSA-N 2 0 335.517 3.023 50 0 EGAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]C1CCC1)C1CCCCC1 ZINC000012459526 211387976 /nfs/dbraw/zinc/38/79/76/211387976.db2.gz FKQWGJDMBUMQBA-HXUWFJFHSA-N 2 0 346.515 3.333 50 0 EGAARP COCC[NH+]1CCC(C[N@H+](Cc2ccoc2)Cc2ccncc2)CC1 ZINC000011816927 211249826 /nfs/dbraw/zinc/24/98/26/211249826.db2.gz SUMJFNVVYJIOSQ-UHFFFAOYSA-N 2 0 343.471 3.035 50 0 EGAARP Cc1cc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000095383680 218316175 /nfs/dbraw/zinc/31/61/75/218316175.db2.gz UQQDFJVXUJNPMK-UHFFFAOYSA-N 2 0 341.503 3.231 50 0 EGAARP CC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012574013 453375725 /nfs/dbraw/zinc/37/57/25/453375725.db2.gz TYEIQDOTVRJMIY-LJQANCHMSA-N 2 0 334.504 3.143 50 0 EGAARP Cc1cc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc(C)[nH+]1 ZINC000072149482 454272964 /nfs/dbraw/zinc/27/29/64/454272964.db2.gz DFJHTYIJXGNSSQ-PZJWPPBQSA-N 3 0 342.531 3.085 50 0 EGAARP Cc1nc([C@H]2CCC[N@H+](Cc3ccco3)C2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499813 454578431 /nfs/dbraw/zinc/57/84/31/454578431.db2.gz DZJQHAIQILZYDO-INIZCTEOSA-N 2 0 337.427 3.252 50 0 EGAARP C[NH+](C)Cc1ccccc1CNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000223946467 456063237 /nfs/dbraw/zinc/06/32/37/456063237.db2.gz JMEPRLPTIADTIZ-UHFFFAOYSA-N 2 0 343.515 3.163 50 0 EGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000952987627 1334631456 /nfs/dbraw/zinc/63/14/56/1334631456.db2.gz ITCOAMXAWWNLJD-UHFFFAOYSA-N 2 0 348.450 3.356 50 0 EGAARP O=C1CC[C@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)CCN1CC1CC1 ZINC000065534991 454586394 /nfs/dbraw/zinc/58/63/94/454586394.db2.gz OPNKNROAMSFOIR-IBGZPJMESA-N 2 0 347.547 3.022 50 0 EGAARP Cc1ccccc1CC[NH+]1CCC(C[N@H+](CCO)C2CCCC2)CC1 ZINC000011880065 1291129701 /nfs/dbraw/zinc/12/97/01/1291129701.db2.gz PSQALVIVAZATGR-UHFFFAOYSA-N 2 0 344.543 3.486 50 0 EGAARP Cc1ccc(C2(C[N@H+](C)Cc3cc(C)cc(C)n3)CC[NH2+]CC2)nc1 ZINC000067878524 215237747 /nfs/dbraw/zinc/23/77/47/215237747.db2.gz NMFLEWXPMNECPE-UHFFFAOYSA-N 2 0 338.499 3.155 50 0 EGAARP COc1cc(C[NH+]2CCC3(CC2)CCC[N@H+](C)CC3)cc2c1OCO2 ZINC000067956241 215260258 /nfs/dbraw/zinc/26/02/58/215260258.db2.gz AIHJLKPDSVAESV-UHFFFAOYSA-N 2 0 346.471 3.122 50 0 EGAARP COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1C[NH+]1CCCC1 ZINC000216350370 241185688 /nfs/dbraw/zinc/18/56/88/241185688.db2.gz XEYBVQITTVBTGP-IBGZPJMESA-N 2 0 332.488 3.292 50 0 EGAARP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)cc1 ZINC000097334173 219012774 /nfs/dbraw/zinc/01/27/74/219012774.db2.gz OSBIPGIGUYEXAJ-UHFFFAOYSA-N 2 0 343.515 3.277 50 0 EGAARP CCn1cncc1C[NH+]1CCC([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000019743531 1291193642 /nfs/dbraw/zinc/19/36/42/1291193642.db2.gz RFALVZXAAZESIM-GOSISDBHSA-N 2 0 332.536 3.483 50 0 EGAARP CC[C@@H]1C=CC[N@@H+]1Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000952964768 1334626088 /nfs/dbraw/zinc/62/60/88/1334626088.db2.gz QIWQBFDZLJHATC-OAQYLSRUSA-N 2 0 327.516 3.201 50 0 EGAARP CCCCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)s1 ZINC000067642470 215171985 /nfs/dbraw/zinc/17/19/85/215171985.db2.gz BSHZJKNLFRBMMQ-UHFFFAOYSA-N 2 0 335.561 3.303 50 0 EGAARP Cc1nnc(SCCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000067787552 215212891 /nfs/dbraw/zinc/21/28/91/215212891.db2.gz OGZWGRRWIBTHKR-UHFFFAOYSA-N 2 0 340.562 3.231 50 0 EGAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000072134661 216023709 /nfs/dbraw/zinc/02/37/09/216023709.db2.gz JQDJUULYVWUMEM-OAQYLSRUSA-N 2 0 346.515 3.287 50 0 EGAARP [NH3+]CCc1ccc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)cc1 ZINC000072477456 216255284 /nfs/dbraw/zinc/25/52/84/216255284.db2.gz CUHCXSGTMWTJLE-JOCHJYFZSA-N 2 0 338.495 3.003 50 0 EGAARP CC(C)[NH+]1CCC(N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000020780454 212172684 /nfs/dbraw/zinc/17/26/84/212172684.db2.gz UJLCYOXOMZPZFH-NRFANRHFSA-N 2 0 329.532 3.456 50 0 EGAARP COC(=O)CC[C@H]1C[N@H+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC[C@H]1[NH+](C)C ZINC000014960432 453549111 /nfs/dbraw/zinc/54/91/11/453549111.db2.gz IENIYPZLXRDTIM-CADBVGFASA-N 2 0 348.531 3.184 50 0 EGAARP Cc1nn(CC[NH+]2CCCC2)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065453624 454569398 /nfs/dbraw/zinc/56/93/98/454569398.db2.gz CMJXKJFKSDNHQN-HXUWFJFHSA-N 2 0 339.487 3.019 50 0 EGAARP CC(C)CCOc1cccc(C[NH+]2CCC(CO)(C[NH+](C)C)CC2)c1 ZINC001772710035 1441417091 /nfs/dbraw/zinc/41/70/91/1441417091.db2.gz NUJRJLGAQULOLM-UHFFFAOYSA-N 2 0 348.531 3.248 50 0 EGAARP [NH3+]CCc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000072129156 216018774 /nfs/dbraw/zinc/01/87/74/216018774.db2.gz ZMYMUCPUSABSGN-UHFFFAOYSA-N 2 0 343.902 3.159 50 0 EGAARP CCc1ncc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000215028174 241102452 /nfs/dbraw/zinc/10/24/52/241102452.db2.gz WAVACKKESPUFOH-UHFFFAOYSA-N 2 0 338.499 3.383 50 0 EGAARP C[N@H+](C[C@H]1CCOC1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012386107 211365294 /nfs/dbraw/zinc/36/52/94/211365294.db2.gz KOGFYCDIOQOHME-LJQANCHMSA-N 2 0 334.479 3.049 50 0 EGAARP COCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095376741 218308750 /nfs/dbraw/zinc/30/87/50/218308750.db2.gz GRFCDKVQFWJVKD-LJQANCHMSA-N 2 0 328.500 3.367 50 0 EGAARP CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)CCC[N@@H+](C)CC3)cc1 ZINC000067541454 277073684 /nfs/dbraw/zinc/07/36/84/277073684.db2.gz ZBYAEXTYZFICLA-UHFFFAOYSA-N 2 0 329.488 3.343 50 0 EGAARP CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000218862692 534956937 /nfs/dbraw/zinc/95/69/37/534956937.db2.gz ZXVPGERXZFEWML-FQEVSTJZSA-N 2 0 343.515 3.277 50 0 EGAARP COCC[NH+]1CCC(C[N@H+](C)Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000214990895 536857943 /nfs/dbraw/zinc/85/79/43/536857943.db2.gz PJQBNBVYIHALME-UHFFFAOYSA-N 2 0 347.478 3.406 50 0 EGAARP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000952972579 1334627532 /nfs/dbraw/zinc/62/75/32/1334627532.db2.gz GEMCZAZKFVBPOG-KRWDZBQOSA-N 2 0 329.488 3.341 50 0 EGAARP CC1(C)CC([N@@H+]2CCC[C@H](OCc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000067965680 215263126 /nfs/dbraw/zinc/26/31/26/215263126.db2.gz LSLRTFMXGCNZLU-SFHVURJKSA-N 2 0 331.504 3.372 50 0 EGAARP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(CC[NH3+])c1 ZINC000072421200 216209540 /nfs/dbraw/zinc/20/95/40/216209540.db2.gz BBZHTEUAYIAXTG-UHFFFAOYSA-N 2 0 338.430 3.145 50 0 EGAARP CCOc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(Cl)cc1OC ZINC000215890229 241154933 /nfs/dbraw/zinc/15/49/33/241154933.db2.gz DFHDZGAOACQJBX-CYBMUJFWSA-N 2 0 326.868 3.131 50 0 EGAARP C[NH+]1CCC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000019359934 212021502 /nfs/dbraw/zinc/02/15/02/212021502.db2.gz OVYYKYUCNCGBKJ-UHFFFAOYSA-N 2 0 349.522 3.488 50 0 EGAARP [NH3+]C[C@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953426 453660538 /nfs/dbraw/zinc/66/05/38/453660538.db2.gz QBYGIQHUJDCEQF-MRXNPFEDSA-N 2 0 325.456 3.196 50 0 EGAARP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000952988432 1334631204 /nfs/dbraw/zinc/63/12/04/1334631204.db2.gz NYXFKLQIYNXKQM-QGZVFWFLSA-N 2 0 329.488 3.485 50 0 EGAARP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000055042302 214266495 /nfs/dbraw/zinc/26/64/95/214266495.db2.gz YASDNYAIVIAPFZ-LSDHHAIUSA-N 2 0 327.394 3.455 50 0 EGAARP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689187 215185792 /nfs/dbraw/zinc/18/57/92/215185792.db2.gz XYBSADBBVGAJNO-LJQANCHMSA-N 2 0 341.499 3.425 50 0 EGAARP Cc1nc(-c2ccc([C@H]3CCC[NH2+]3)s2)n(-c2cc[nH+]c(C)c2)n1 ZINC000067846956 215228808 /nfs/dbraw/zinc/22/88/08/215228808.db2.gz KAVSYCICEUTQJO-CQSZACIVSA-N 2 0 325.441 3.432 50 0 EGAARP OC[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH+]1CCCC1 ZINC000091985586 218098240 /nfs/dbraw/zinc/09/82/40/218098240.db2.gz QJQFWWAJCUDJFH-IAGOWNOFSA-N 2 0 330.497 3.037 50 0 EGAARP CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012702624 453393644 /nfs/dbraw/zinc/39/36/44/453393644.db2.gz GJERCFJYRRYSAL-SFHVURJKSA-N 2 0 335.536 3.022 50 0 EGAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091365047 454430325 /nfs/dbraw/zinc/43/03/25/454430325.db2.gz FTLDKCHIXZKQDD-IAGOWNOFSA-N 2 0 330.497 3.017 50 0 EGAARP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)OCCCO2 ZINC000063847430 454454575 /nfs/dbraw/zinc/45/45/75/454454575.db2.gz ZSTIFRNYYACEMV-ZWKOTPCHSA-N 2 0 330.472 3.202 50 0 EGAARP Cc1ccc(C[NH+]2CCC(C[NH2+]C3CSCCSC3)CC2)o1 ZINC000584903184 459821504 /nfs/dbraw/zinc/82/15/04/459821504.db2.gz GPJAQNCUEDWNSZ-UHFFFAOYSA-N 2 0 340.558 3.238 50 0 EGAARP CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000218862619 534949582 /nfs/dbraw/zinc/94/95/82/534949582.db2.gz ZXVPGERXZFEWML-HXUWFJFHSA-N 2 0 343.515 3.277 50 0 EGAARP Cc1cccc(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)n1 ZINC001772809998 1441417621 /nfs/dbraw/zinc/41/76/21/1441417621.db2.gz BTVDPPGQXRQPNI-UNMCSNQZSA-N 2 0 335.495 3.087 50 0 EGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000002489887 209856549 /nfs/dbraw/zinc/85/65/49/209856549.db2.gz HHTLLRFFGBPGFI-UHFFFAOYSA-N 2 0 345.453 3.411 50 0 EGAARP [NH3+]CCc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC000072134508 216023774 /nfs/dbraw/zinc/02/37/74/216023774.db2.gz GSUNOHZPWJULTL-UHFFFAOYSA-N 2 0 327.447 3.039 50 0 EGAARP CCC[C@@H]1C[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1NC(C)=O ZINC000082100527 453923735 /nfs/dbraw/zinc/92/37/35/453923735.db2.gz UYHHXWKBBZSBDG-IEBWSBKVSA-N 2 0 349.544 3.081 50 0 EGAARP c1coc([C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)N2CCCC2)c1 ZINC000067820088 453969708 /nfs/dbraw/zinc/96/97/08/453969708.db2.gz OKIBRFWBMSGRMW-GOSISDBHSA-N 2 0 331.504 3.319 50 0 EGAARP C[NH+](C)Cc1csc(C[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC000215028611 536060535 /nfs/dbraw/zinc/06/05/35/536060535.db2.gz HVZPUBPGMGNCFX-UHFFFAOYSA-N 2 0 331.485 3.248 50 0 EGAARP C[C@@H](C[NH+]1CCCCC1)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000952861783 1334583344 /nfs/dbraw/zinc/58/33/44/1334583344.db2.gz KIVIRGAHJIHVAE-KRWDZBQOSA-N 2 0 329.488 3.343 50 0 EGAARP C[NH+](C)CCCOc1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000215194334 241112260 /nfs/dbraw/zinc/11/22/60/241112260.db2.gz BWGMLCRWIOHODD-HXUWFJFHSA-N 2 0 345.531 3.077 50 0 EGAARP CCc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091526886 218017861 /nfs/dbraw/zinc/01/78/61/218017861.db2.gz MDCSBTJAMICRHT-NHCUHLMSSA-N 2 0 330.516 3.165 50 0 EGAARP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000095358457 218291317 /nfs/dbraw/zinc/29/13/17/218291317.db2.gz GCHBEVIIHXHHSS-HXUWFJFHSA-N 2 0 343.515 3.163 50 0 EGAARP [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000095386834 218319541 /nfs/dbraw/zinc/31/95/41/218319541.db2.gz XQJZAGYYOGHZDO-XZOQPEGZSA-N 2 0 349.522 3.284 50 0 EGAARP C[N@H+](CCc1ccccn1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299796644 258101268 /nfs/dbraw/zinc/10/12/68/258101268.db2.gz NVROHKOKFFDYGI-LJQANCHMSA-N 2 0 339.483 3.135 50 0 EGAARP [NH3+]C1CC[NH+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000063881644 454457782 /nfs/dbraw/zinc/45/77/82/454457782.db2.gz JPMNNVYYXJTYQB-UHFFFAOYSA-N 2 0 325.456 3.339 50 0 EGAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000952972137 1334627416 /nfs/dbraw/zinc/62/74/16/1334627416.db2.gz AZVFPZYTUZKYIP-UHFFFAOYSA-N 2 0 325.456 3.335 50 0 EGAARP CC1(C)CC([N@@H+]2CC[C@H](CNC(=O)c3ccsc3)C2)CC(C)(C)[NH2+]1 ZINC000067834375 215225112 /nfs/dbraw/zinc/22/51/12/215225112.db2.gz UBTPTXKOJPWCST-CQSZACIVSA-N 2 0 349.544 3.109 50 0 EGAARP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250374 /nfs/dbraw/zinc/25/03/74/216250374.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 2 0 330.516 3.308 50 0 EGAARP C[C@H](c1cccc(C[NH+]2CCC(c3nccn3C)CC2)c1)[NH+](C)C ZINC000215243857 241113254 /nfs/dbraw/zinc/11/32/54/241113254.db2.gz CGBYOASCWYRZAU-MRXNPFEDSA-N 2 0 326.488 3.422 50 0 EGAARP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000262672906 245111274 /nfs/dbraw/zinc/11/12/74/245111274.db2.gz RVXVEAVGNAPMQK-HXUWFJFHSA-N 2 0 337.467 3.181 50 0 EGAARP COCC[N@H+](CC1CC1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012073064 211286530 /nfs/dbraw/zinc/28/65/30/211286530.db2.gz IVXFYDQUZOVQJM-UHFFFAOYSA-N 2 0 334.479 3.396 50 0 EGAARP C[NH+](C)CCCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000097522643 219032226 /nfs/dbraw/zinc/03/22/26/219032226.db2.gz HSYIRWQSWBKVAO-FPOVZHCZSA-N 2 0 346.515 3.144 50 0 EGAARP c1ccc(CC[NH+]2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000299790437 258096345 /nfs/dbraw/zinc/09/63/45/258096345.db2.gz BORNTARIDQJJRS-FCHUYYIVSA-N 2 0 341.543 3.111 50 0 EGAARP CC(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012701725 453392263 /nfs/dbraw/zinc/39/22/63/453392263.db2.gz SVIJTTUWHFSSCW-SFHVURJKSA-N 2 0 337.552 3.076 50 0 EGAARP O=C(NCCC[NH+]1CCCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013674406 453480206 /nfs/dbraw/zinc/48/02/06/453480206.db2.gz BDIMGNNIFGYQEE-UHFFFAOYSA-N 2 0 343.515 3.278 50 0 EGAARP C[C@@H](C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077538169 454119932 /nfs/dbraw/zinc/11/99/32/454119932.db2.gz VIIVEBRMAPYYJR-WHLIDYPQSA-N 2 0 345.506 3.187 50 0 EGAARP CC(=O)Nc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000065530370 454585010 /nfs/dbraw/zinc/58/50/10/454585010.db2.gz MSHKGFPZQVOCAR-UHFFFAOYSA-N 2 0 338.455 3.061 50 0 EGAARP COCC[NH+]1CCC(C[N@H+](CC=C(C)C)Cc2ccncc2)CC1 ZINC000012307676 1291132163 /nfs/dbraw/zinc/13/21/63/1291132163.db2.gz ZBMHEGWEDNNLBF-UHFFFAOYSA-N 2 0 331.504 3.208 50 0 EGAARP CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cn1ccnc1C ZINC000822718129 1320116889 /nfs/dbraw/zinc/11/68/89/1320116889.db2.gz LWASAIRPFYXTRN-SFHVURJKSA-N 2 0 340.471 3.443 50 0 EGAARP CC[N@H+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000097785144 219056819 /nfs/dbraw/zinc/05/68/19/219056819.db2.gz SDUOQRUSCUIHSG-UHFFFAOYSA-N 2 0 343.515 3.277 50 0 EGAARP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)CC2)cc1CO ZINC000067434595 215145576 /nfs/dbraw/zinc/14/55/76/215145576.db2.gz WTEWYYGCHQPDFP-UHFFFAOYSA-N 2 0 346.515 3.276 50 0 EGAARP CC1(C)CC([N@@H+]2CC[C@@H](CNC(=O)c3ccsc3)C2)CC(C)(C)[NH2+]1 ZINC000067834376 215224400 /nfs/dbraw/zinc/22/44/00/215224400.db2.gz UBTPTXKOJPWCST-AWEZNQCLSA-N 2 0 349.544 3.109 50 0 EGAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccco3)cc2)CC1 ZINC000072152387 216041042 /nfs/dbraw/zinc/04/10/42/216041042.db2.gz GPAPYYIPRUMVQR-HXUWFJFHSA-N 2 0 328.456 3.225 50 0 EGAARP Cc1cc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)cc(C)[nH+]1 ZINC000072434416 216229041 /nfs/dbraw/zinc/22/90/41/216229041.db2.gz SVUMBUIDLCEBHH-UHFFFAOYSA-N 2 0 347.466 3.206 50 0 EGAARP Cc1ccc2ncccc2c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000215344679 241121286 /nfs/dbraw/zinc/12/12/86/241121286.db2.gz JGLZYPKYWJIMTF-UHFFFAOYSA-N 2 0 327.472 3.086 50 0 EGAARP C[NH+](C)CCCOc1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000215194281 241110887 /nfs/dbraw/zinc/11/08/87/241110887.db2.gz BWGMLCRWIOHODD-FQEVSTJZSA-N 2 0 345.531 3.077 50 0 EGAARP c1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)n1 ZINC000244874238 243091680 /nfs/dbraw/zinc/09/16/80/243091680.db2.gz WXBXTJLKGCBEHJ-INIZCTEOSA-N 2 0 330.501 3.447 50 0 EGAARP C[N@H+](C[C@@H]1CCOC1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012386106 211365476 /nfs/dbraw/zinc/36/54/76/211365476.db2.gz KOGFYCDIOQOHME-IBGZPJMESA-N 2 0 334.479 3.049 50 0 EGAARP c1c[nH]c(C[N@H+]2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000012316690 211343673 /nfs/dbraw/zinc/34/36/73/211343673.db2.gz PVUIYDYLOROCKG-HXUWFJFHSA-N 2 0 338.499 3.186 50 0 EGAARP CC[N@H+](Cc1ccc(OC)c(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000097730259 285101232 /nfs/dbraw/zinc/10/12/32/285101232.db2.gz QOPPTWMBNOIDDZ-UHFFFAOYSA-N 2 0 332.488 3.292 50 0 EGAARP CCC(CC)C[N@@H+]1CCOc2ccc([C@](C)(O)C[NH+](C)C)cc2C1 ZINC000011997068 453339216 /nfs/dbraw/zinc/33/92/16/453339216.db2.gz NYRMWBQOQUEFKV-HXUWFJFHSA-N 2 0 334.504 3.086 50 0 EGAARP Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591908 453379248 /nfs/dbraw/zinc/37/92/48/453379248.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 2 0 341.543 3.377 50 0 EGAARP Cc1nn(CC[NH+]2CCCC2)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000065453627 454569693 /nfs/dbraw/zinc/56/96/93/454569693.db2.gz CMJXKJFKSDNHQN-FQEVSTJZSA-N 2 0 339.487 3.019 50 0 EGAARP C[C@@H](C1CC[NH+](Cc2ccnc3ccccc23)CC1)[NH+]1CCOCC1 ZINC000065508942 454580247 /nfs/dbraw/zinc/58/02/47/454580247.db2.gz INRXGXNEBAVSSF-KRWDZBQOSA-N 2 0 339.483 3.168 50 0 EGAARP O[C@H](COc1cccc(C[NH2+]C2CCCC2)c1)C[NH+]1CCCCCC1 ZINC000015066883 1291145596 /nfs/dbraw/zinc/14/55/96/1291145596.db2.gz NNWURLGIKHYMNE-FQEVSTJZSA-N 2 0 346.515 3.335 50 0 EGAARP C[C@@H](C[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952871935 1334584233 /nfs/dbraw/zinc/58/42/33/1334584233.db2.gz HJWNZTJRSNWUNW-KRWDZBQOSA-N 2 0 329.488 3.343 50 0 EGAARP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@H+](C)Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC001704352440 1416453319 /nfs/dbraw/zinc/45/33/19/1416453319.db2.gz YBZQFAIMEQPKIG-AMBYYYRHSA-N 2 0 339.483 3.491 50 0 EGAARP C[NH+](C)CCOc1ccccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000072137202 216025465 /nfs/dbraw/zinc/02/54/65/216025465.db2.gz GKEMKYHKJKGOGC-UHFFFAOYSA-N 2 0 332.488 3.020 50 0 EGAARP CCC(CC)C[N@@H+]1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000011997065 211277450 /nfs/dbraw/zinc/27/74/50/211277450.db2.gz NYRMWBQOQUEFKV-FQEVSTJZSA-N 2 0 334.504 3.086 50 0 EGAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(CO)o3)CC2)o1 ZINC000011814549 211249868 /nfs/dbraw/zinc/24/98/68/211249868.db2.gz YBUQCKFKTQGPIT-UHFFFAOYSA-N 2 0 332.444 3.017 50 0 EGAARP OCCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095379606 218312450 /nfs/dbraw/zinc/31/24/50/218312450.db2.gz ABWKGFSZELJQMY-IBGZPJMESA-N 2 0 328.500 3.103 50 0 EGAARP OCCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095379605 218312453 /nfs/dbraw/zinc/31/24/53/218312453.db2.gz ABWKGFSZELJQMY-LJQANCHMSA-N 2 0 328.500 3.103 50 0 EGAARP COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1C[NH+]1CCCC1 ZINC000097547803 219034740 /nfs/dbraw/zinc/03/47/40/219034740.db2.gz ZEKKNJWZANNUCZ-FQEVSTJZSA-N 2 0 345.531 3.207 50 0 EGAARP C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000091461288 454438907 /nfs/dbraw/zinc/43/89/07/454438907.db2.gz AAIZVPCQHYTHAO-MOPGFXCFSA-N 2 0 338.495 3.346 50 0 EGAARP Cc1cc(C)n(CC[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)n1 ZINC000670440756 548216262 /nfs/dbraw/zinc/21/62/62/548216262.db2.gz IUILVFVPRRMXGI-UHFFFAOYSA-N 2 0 332.517 3.289 50 0 EGAARP Cc1cccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)n1 ZINC001772809996 1441417618 /nfs/dbraw/zinc/41/76/18/1441417618.db2.gz BTVDPPGQXRQPNI-IRLDBZIGSA-N 2 0 335.495 3.087 50 0 EGAARP C[N@@H+]1CCCC2(CC[NH+](C3CCN(Cc4ccco4)CC3)CC2)CC1 ZINC000067654316 215174934 /nfs/dbraw/zinc/17/49/34/215174934.db2.gz FRRFUBAXAFJFEZ-UHFFFAOYSA-N 2 0 345.531 3.442 50 0 EGAARP C[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1nc(-c2ccccn2)no1 ZINC000067804636 215216203 /nfs/dbraw/zinc/21/62/03/215216203.db2.gz IAHUGOIPLBYFBQ-CQSZACIVSA-N 2 0 341.459 3.095 50 0 EGAARP CCn1ccc2c1cccc2C[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000215093772 241105062 /nfs/dbraw/zinc/10/50/62/241105062.db2.gz LCUJRBIUBRTCGG-UHFFFAOYSA-N 2 0 341.499 3.084 50 0 EGAARP Cc1cc(C)n(-c2ccccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000244602002 243043627 /nfs/dbraw/zinc/04/36/27/243043627.db2.gz DVXGNXVLXBAWSB-LJQANCHMSA-N 2 0 326.488 3.405 50 0 EGAARP COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1OCc1ccccc1 ZINC000010434559 211173306 /nfs/dbraw/zinc/17/33/06/211173306.db2.gz DSQDBFQQJHBULY-UHFFFAOYSA-N 2 0 340.467 3.363 50 0 EGAARP CSc1ccccc1C[NH+]1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077520715 454116854 /nfs/dbraw/zinc/11/68/54/454116854.db2.gz WWVURKRJSNVEMO-KRWDZBQOSA-N 2 0 347.572 3.256 50 0 EGAARP Cc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000065508249 454580809 /nfs/dbraw/zinc/58/08/09/454580809.db2.gz BKLPZSAKVBTDKG-IBGZPJMESA-N 2 0 329.532 3.151 50 0 EGAARP CSc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cc1 ZINC000220455738 456040322 /nfs/dbraw/zinc/04/03/22/456040322.db2.gz TUCDHXIINUPHQN-UHFFFAOYSA-N 2 0 334.529 3.079 50 0 EGAARP CCn1cncc1C[NH+]1CCC([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000019743533 1291193723 /nfs/dbraw/zinc/19/37/23/1291193723.db2.gz RFALVZXAAZESIM-SFHVURJKSA-N 2 0 332.536 3.483 50 0 EGAARP C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208284 /nfs/dbraw/zinc/20/82/84/1320208284.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 0 337.467 3.329 50 0 EGAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OCC[NH+]1CCCC1 ZINC000215440347 241125776 /nfs/dbraw/zinc/12/57/76/241125776.db2.gz MIKABMOIBDVXGD-UHFFFAOYSA-N 2 0 336.451 3.104 50 0 EGAARP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000091724629 218053201 /nfs/dbraw/zinc/05/32/01/218053201.db2.gz LWNNGERRCBLOOC-INIZCTEOSA-N 2 0 329.423 3.145 50 0 EGAARP CCCCc1ccc(C[N@@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)s1 ZINC000067965255 453984669 /nfs/dbraw/zinc/98/46/69/453984669.db2.gz OBBNSLWJOHFMBZ-UHFFFAOYSA-N 2 0 335.561 3.303 50 0 EGAARP CSc1cccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1 ZINC000077406430 454102818 /nfs/dbraw/zinc/10/28/18/454102818.db2.gz DPLRSPXYHGWOPA-KRWDZBQOSA-N 2 0 347.572 3.256 50 0 EGAARP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000065508247 454580212 /nfs/dbraw/zinc/58/02/12/454580212.db2.gz BKLPZSAKVBTDKG-LJQANCHMSA-N 2 0 329.532 3.151 50 0 EGAARP CC1(C)Cc2occc2[C@@H](NCc2ccncc2O[C@H]2CC[NH2+]C2)C1 ZINC000685942136 550456478 /nfs/dbraw/zinc/45/64/78/550456478.db2.gz GFKZEWIHLSUDGR-RDJZCZTQSA-N 2 0 341.455 3.219 50 0 EGAARP C[N@H+](CCCNC(=O)C1([NH+]2CCCC2)CCCCC1)C1CCCC1 ZINC000952861247 1334582854 /nfs/dbraw/zinc/58/28/54/1334582854.db2.gz YRJDXYORXWSCFX-UHFFFAOYSA-N 2 0 335.536 3.166 50 0 EGAARP c1nc(C2CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)no1 ZINC000097819686 219058391 /nfs/dbraw/zinc/05/83/91/219058391.db2.gz LSZNSFLFTYKKNA-UHFFFAOYSA-N 2 0 332.473 3.107 50 0 EGAARP c1coc(CN2CCC([NH2+]CC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000067833871 215224145 /nfs/dbraw/zinc/22/41/45/215224145.db2.gz YZKPWECGPSUGBD-UHFFFAOYSA-N 2 0 345.531 3.488 50 0 EGAARP C[NH+]1CCC2(CC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)CC1 ZINC000072462828 216245548 /nfs/dbraw/zinc/24/55/48/216245548.db2.gz QFWBVVBLMLIEHB-UHFFFAOYSA-N 2 0 330.516 3.308 50 0 EGAARP COC[C@H]1CC[N@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215799724 241148327 /nfs/dbraw/zinc/14/83/27/241148327.db2.gz SYKSKLMVLFEPPN-SFHVURJKSA-N 2 0 332.488 3.020 50 0 EGAARP Cc1c2cccc(C)c2[nH]c1C[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000215991382 241158276 /nfs/dbraw/zinc/15/82/76/241158276.db2.gz XFVPJKHADIMGQP-UHFFFAOYSA-N 2 0 341.499 3.207 50 0 EGAARP Fc1ccc(COc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)cc1 ZINC000016578680 211915206 /nfs/dbraw/zinc/91/52/06/211915206.db2.gz XEQGRRBMVDMQQC-UHFFFAOYSA-N 2 0 328.431 3.494 50 0 EGAARP COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1C[NH+]1CCCC1 ZINC000097547801 219034142 /nfs/dbraw/zinc/03/41/42/219034142.db2.gz ZEKKNJWZANNUCZ-HXUWFJFHSA-N 2 0 345.531 3.207 50 0 EGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cccc1Cl ZINC000002479856 452700357 /nfs/dbraw/zinc/70/03/57/452700357.db2.gz CFBCYLGVJTZTIE-UHFFFAOYSA-N 2 0 329.891 3.185 50 0 EGAARP Cc1cc(C)c2[nH+]ccc(N3CCC4(CC3)C[N@@H+](C)CCN4C)c2c1 ZINC000067725180 453961092 /nfs/dbraw/zinc/96/10/92/453961092.db2.gz VOLRFKWBKROTMS-UHFFFAOYSA-N 2 0 338.499 3.068 50 0 EGAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)CC[NH+]1CCCCCCC1 ZINC000219292645 241375061 /nfs/dbraw/zinc/37/50/61/241375061.db2.gz OBMCPKNBPPDKHR-UHFFFAOYSA-N 2 0 343.515 3.247 50 0 EGAARP CC(C)C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011787934 211247524 /nfs/dbraw/zinc/24/75/24/211247524.db2.gz WOORULRDIGMUBI-KRWDZBQOSA-N 2 0 348.560 3.500 50 0 EGAARP COc1ccc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)cc1C[NH+]1CCCC1 ZINC000091965114 218096321 /nfs/dbraw/zinc/09/63/21/218096321.db2.gz HHNQVWHDTCVXNI-NRFANRHFSA-N 2 0 346.515 3.274 50 0 EGAARP CC(C)[NH+]1CCC([NH+]2CCC(n3cc(C(C)(C)C)nn3)CC2)CC1 ZINC000048319732 454472578 /nfs/dbraw/zinc/47/25/78/454472578.db2.gz GOCDXENAQOCYNQ-UHFFFAOYSA-N 2 0 333.524 3.085 50 0 EGAARP CCCc1ccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000022341427 1291213070 /nfs/dbraw/zinc/21/30/70/1291213070.db2.gz FFBIERFAMYOJQM-GOSISDBHSA-N 2 0 348.531 3.278 50 0 EGAARP Cc1cc2c(cc1C[N@@H+](C)[C@H]1C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C1)OCCO2 ZINC001704315838 1416440012 /nfs/dbraw/zinc/44/00/12/1416440012.db2.gz WQDBTSTUJYZHBV-AMBYYYRHSA-N 2 0 344.499 3.317 50 0 EGAARP CC(C)[N@@H+]1CCN(CC[NH+]2CCC(c3ccccc3)CC2)C[C@@H]1C ZINC000020560677 212147927 /nfs/dbraw/zinc/14/79/27/212147927.db2.gz VMGXSAFRVRDTRG-IBGZPJMESA-N 2 0 329.532 3.281 50 0 EGAARP C[NH+]1CCN(C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000019889867 212079807 /nfs/dbraw/zinc/07/98/07/212079807.db2.gz ZRGYJQVYFWJQQW-UHFFFAOYSA-N 2 0 341.543 3.425 50 0 EGAARP c1c[nH]c(C[N@H+]2CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000012316691 211343626 /nfs/dbraw/zinc/34/36/26/211343626.db2.gz PVUIYDYLOROCKG-FQEVSTJZSA-N 2 0 338.499 3.186 50 0 EGAARP CN(C(=O)CC[C@H]1CCC[N@H+](CC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000012028525 211281303 /nfs/dbraw/zinc/28/13/03/211281303.db2.gz OWOOHLJCWIWWID-QGZVFWFLSA-N 2 0 337.552 3.077 50 0 EGAARP Cc1ccc2[nH+]ccc(N3CCC([C@H](C)[NH+]4CCOCC4)CC3)c2c1 ZINC000095391779 218323802 /nfs/dbraw/zinc/32/38/02/218323802.db2.gz PTHOHRYIQGKWNI-KRWDZBQOSA-N 2 0 339.483 3.480 50 0 EGAARP CC[C@@]1(O)CCC[N@H+](Cc2ccc(OC)c(C[NH+]3CCCC3)c2)C1 ZINC000215732820 456026673 /nfs/dbraw/zinc/02/66/73/456026673.db2.gz TYDBIMKCHZQPHE-HXUWFJFHSA-N 2 0 332.488 3.028 50 0 EGAARP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072409499 216201232 /nfs/dbraw/zinc/20/12/32/216201232.db2.gz KLWZWXLDHFHZTM-UHFFFAOYSA-N 2 0 330.516 3.308 50 0 EGAARP CC(C)(O)CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000072473455 216250268 /nfs/dbraw/zinc/25/02/68/216250268.db2.gz RDYFAXLYLPHMKM-UHFFFAOYSA-N 2 0 339.483 3.107 50 0 EGAARP COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1C[NH+]1CCCC1 ZINC000216350420 274108185 /nfs/dbraw/zinc/10/81/85/274108185.db2.gz XEYBVQITTVBTGP-LJQANCHMSA-N 2 0 332.488 3.292 50 0 EGAARP O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000077454683 454107753 /nfs/dbraw/zinc/10/77/53/454107753.db2.gz SKTNCTRNRNTPOB-QGZVFWFLSA-N 2 0 342.405 3.128 50 0 EGAARP CC[C@H]1C=CC[N@@H+]1Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000952964752 1334626005 /nfs/dbraw/zinc/62/60/05/1334626005.db2.gz QIWQBFDZLJHATC-NRFANRHFSA-N 2 0 327.516 3.201 50 0 EGAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1nc(-c2ccc(F)cc2)cs1 ZINC000952970386 1334626773 /nfs/dbraw/zinc/62/67/73/1334626773.db2.gz RNFNGNHLDSIQHU-UHFFFAOYSA-N 2 0 342.443 3.276 50 0 EGAARP CSc1cccc(C[N@@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000020997387 202060831 /nfs/dbraw/zinc/06/08/31/202060831.db2.gz OGSQZKYKKRDDKY-SFHVURJKSA-N 2 0 335.561 3.256 50 0 EGAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccco3)cc2)CC1 ZINC000072152386 203172783 /nfs/dbraw/zinc/17/27/83/203172783.db2.gz GPAPYYIPRUMVQR-FQEVSTJZSA-N 2 0 328.456 3.225 50 0 EGAARP Cc1[nH+]c(CN2CCC[N@H+](Cc3cccs3)CC2)c2ccccn12 ZINC000072165068 203178615 /nfs/dbraw/zinc/17/86/15/203178615.db2.gz MKXVEQWNLCNVGG-UHFFFAOYSA-N 2 0 340.496 3.412 50 0 EGAARP COC(=O)c1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cs1 ZINC000072169098 203181499 /nfs/dbraw/zinc/18/14/99/203181499.db2.gz LWUQBUGYAJLSPE-UHFFFAOYSA-N 2 0 336.501 3.089 50 0 EGAARP COc1cc(C)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC000002893805 452734382 /nfs/dbraw/zinc/73/43/82/452734382.db2.gz BNLKKYVARHHJNS-UHFFFAOYSA-N 2 0 335.536 3.017 50 0 EGAARP Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091416431 454432913 /nfs/dbraw/zinc/43/29/13/454432913.db2.gz ISTQTPWUSLRZCH-WOJBJXKFSA-N 2 0 338.495 3.284 50 0 EGAARP O=C1CC[C@@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)CCN1CC1CC1 ZINC000065534987 454586161 /nfs/dbraw/zinc/58/61/61/454586161.db2.gz OPNKNROAMSFOIR-LJQANCHMSA-N 2 0 347.547 3.022 50 0 EGAARP C[C@H](c1cccc(C[N@H+](CCO)Cc2ccc(F)cc2)c1)[NH+](C)C ZINC000220472132 456039942 /nfs/dbraw/zinc/03/99/42/456039942.db2.gz PHNMRFFDKSFMSS-MRXNPFEDSA-N 2 0 330.447 3.443 50 0 EGAARP C[N@H+](C[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067695542 1292169451 /nfs/dbraw/zinc/16/94/51/1292169451.db2.gz ZWENKWBNPXBAET-KRWDZBQOSA-N 2 0 347.547 3.022 50 0 EGAARP CCc1nccc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000216490173 241199324 /nfs/dbraw/zinc/19/93/24/241199324.db2.gz VEAYQACMQJDBEY-UHFFFAOYSA-N 2 0 338.499 3.383 50 0 EGAARP COc1ccccc1OC1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000072424034 203220039 /nfs/dbraw/zinc/22/00/39/203220039.db2.gz JLKZBLVADTVMIK-UHFFFAOYSA-N 2 0 340.467 3.240 50 0 EGAARP C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCC2)c1 ZINC000095523852 287275780 /nfs/dbraw/zinc/27/57/80/287275780.db2.gz AGLPWZSJDDXOHQ-QGZVFWFLSA-N 2 0 344.503 3.278 50 0 EGAARP Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cc1F ZINC000244811341 455277094 /nfs/dbraw/zinc/27/70/94/455277094.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 2 0 335.467 3.125 50 0 EGAARP Cc1cc(C)n(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)n1 ZINC000014957275 453549636 /nfs/dbraw/zinc/54/96/36/453549636.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 2 0 344.547 3.478 50 0 EGAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091644531 454454351 /nfs/dbraw/zinc/45/43/51/454454351.db2.gz QSJVMHGQNLKXRP-IAGOWNOFSA-N 2 0 338.451 3.188 50 0 EGAARP Fc1ccc(COc2ccccc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434648 201798814 /nfs/dbraw/zinc/79/88/14/201798814.db2.gz XWFOLXPVZUYVBF-UHFFFAOYSA-N 2 0 328.431 3.494 50 0 EGAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]C1CCC1)C1CCCCC1 ZINC000012459527 202145155 /nfs/dbraw/zinc/14/51/55/202145155.db2.gz FKQWGJDMBUMQBA-FQEVSTJZSA-N 2 0 346.515 3.333 50 0 EGAARP COc1ccccc1OC1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000072431022 203223274 /nfs/dbraw/zinc/22/32/74/203223274.db2.gz JZOVUUXYGKXAHK-UHFFFAOYSA-N 2 0 340.467 3.240 50 0 EGAARP [NH3+][C@H]1CC[C@@H](C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000243892325 258000614 /nfs/dbraw/zinc/00/06/14/258000614.db2.gz AFYJEUWEIPDGDN-CHKJKVEQSA-N 2 0 339.527 3.066 50 0 EGAARP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004859448 452821290 /nfs/dbraw/zinc/82/12/90/452821290.db2.gz VTZLVAXMWLFFNO-UWVAXJGDSA-N 2 0 334.504 3.045 50 0 EGAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000095358807 454197076 /nfs/dbraw/zinc/19/70/76/454197076.db2.gz QWPNZZOKVQRTRQ-XZOQPEGZSA-N 2 0 349.522 3.284 50 0 EGAARP CC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012207321 1291130824 /nfs/dbraw/zinc/13/08/24/1291130824.db2.gz QMEFAKWHAFCZSW-IBGZPJMESA-N 2 0 349.563 3.412 50 0 EGAARP CO[C@H]1CC[N@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000215764894 241144069 /nfs/dbraw/zinc/14/40/69/241144069.db2.gz MVFMMRSYILBNFH-FQEVSTJZSA-N 2 0 332.488 3.162 50 0 EGAARP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000002277989 452692435 /nfs/dbraw/zinc/69/24/35/452692435.db2.gz VTZLVAXMWLFFNO-ZWOKBUDYSA-N 2 0 334.504 3.045 50 0 EGAARP CC(C)(C)[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000014965132 453549940 /nfs/dbraw/zinc/54/99/40/453549940.db2.gz ZEAPUPBRTXQROS-SFHVURJKSA-N 2 0 334.504 3.190 50 0 EGAARP Cc1ccccc1NC(=O)CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067772810 453965200 /nfs/dbraw/zinc/96/52/00/453965200.db2.gz QTWGDEUBTMYTIM-UHFFFAOYSA-N 2 0 329.488 3.226 50 0 EGAARP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)C2CCOCC2)C1 ZINC000055199847 453969265 /nfs/dbraw/zinc/96/92/65/453969265.db2.gz FMONFHPNPOQMBT-IBGZPJMESA-N 2 0 330.516 3.360 50 0 EGAARP Cc1nc(-c2ccc([C@@H]3CCC[NH2+]3)s2)n(-c2cc[nH+]c(C)c2)n1 ZINC000067846955 453972169 /nfs/dbraw/zinc/97/21/69/453972169.db2.gz KAVSYCICEUTQJO-AWEZNQCLSA-N 2 0 325.441 3.432 50 0 EGAARP Cn1nc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055414150 453983697 /nfs/dbraw/zinc/98/36/97/453983697.db2.gz TVJODEFNLDVVBF-GHTZIAJQSA-N 2 0 338.499 3.441 50 0 EGAARP CC(C)C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011787933 201815570 /nfs/dbraw/zinc/81/55/70/201815570.db2.gz WOORULRDIGMUBI-QGZVFWFLSA-N 2 0 348.560 3.500 50 0 EGAARP Cc1cc(C)c(C[NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)c(C)c1 ZINC000023251438 202101130 /nfs/dbraw/zinc/10/11/30/202101130.db2.gz BNIOAWMSPWTAKT-UHFFFAOYSA-N 2 0 341.503 3.234 50 0 EGAARP COc1ccccc1[C@@H]1CN(c2cc[nH+]cc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156124 203174112 /nfs/dbraw/zinc/17/41/12/203174112.db2.gz GCDICYKGDPCTDI-CEWLAPEOSA-N 2 0 335.451 3.157 50 0 EGAARP COc1cccc(OCC[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)c1 ZINC000072165926 203179526 /nfs/dbraw/zinc/17/95/26/203179526.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 2 0 332.488 3.270 50 0 EGAARP CC(C)Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cc1 ZINC000067867871 453974062 /nfs/dbraw/zinc/97/40/62/453974062.db2.gz UEFSBHCFRWNPSH-UHFFFAOYSA-N 2 0 329.532 3.097 50 0 EGAARP OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091651263 454454889 /nfs/dbraw/zinc/45/48/89/454454889.db2.gz VLWSSQPCWCYDFC-FGZHOGPDSA-N 2 0 338.495 3.366 50 0 EGAARP CC[N@H+](CCn1cccn1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000216134682 241168009 /nfs/dbraw/zinc/16/80/09/241168009.db2.gz BKYBDOPMWCSVAL-UHFFFAOYSA-N 2 0 332.517 3.453 50 0 EGAARP Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c(C)c1 ZINC000244742240 243073211 /nfs/dbraw/zinc/07/32/11/243073211.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 2 0 331.504 3.294 50 0 EGAARP COc1ccc2n[nH]c(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000072170200 203180488 /nfs/dbraw/zinc/18/04/88/203180488.db2.gz ROGSXZNFTNQLIZ-UHFFFAOYSA-N 2 0 342.487 3.125 50 0 EGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386882 453358226 /nfs/dbraw/zinc/35/82/26/453358226.db2.gz HHNGTEZNMJRCMS-KRWDZBQOSA-N 2 0 335.536 3.020 50 0 EGAARP Cc1cccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)n1 ZINC001772809995 1441417525 /nfs/dbraw/zinc/41/75/25/1441417525.db2.gz BTVDPPGQXRQPNI-IFMALSPDSA-N 2 0 335.495 3.087 50 0 EGAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000215776019 241148015 /nfs/dbraw/zinc/14/80/15/241148015.db2.gz MCNGAHVDVXFPGN-OAQYLSRUSA-N 2 0 344.543 3.424 50 0 EGAARP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)n1 ZINC000244874239 243091829 /nfs/dbraw/zinc/09/18/29/243091829.db2.gz WXBXTJLKGCBEHJ-MRXNPFEDSA-N 2 0 330.501 3.447 50 0 EGAARP Cc1ccc2c(c1)c(C[NH2+]C1CCC3(CC[NH2+]CC3)CC1)nn2C ZINC000067981873 202951376 /nfs/dbraw/zinc/95/13/76/202951376.db2.gz IPLNYNFXLNCJOK-UHFFFAOYSA-N 2 0 326.488 3.284 50 0 EGAARP Cc1cc(N2CCC[N@H+](Cc3ccc4nsnc4c3)CC2)cc[nH+]1 ZINC000072154257 203175191 /nfs/dbraw/zinc/17/51/91/203175191.db2.gz VHAQATGZLRVDSZ-UHFFFAOYSA-N 2 0 339.468 3.107 50 0 EGAARP C[C@@H](C1CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1)[NH+](C)C ZINC000077302137 203378838 /nfs/dbraw/zinc/37/88/38/203378838.db2.gz PAIAFTULRFUBQS-HNNXBMFYSA-N 2 0 330.451 3.174 50 0 EGAARP C[C@H](C1CC[NH+](Cc2ccc3occc3c2)CC1)[NH+]1CCN(C)CC1 ZINC000077406411 203386482 /nfs/dbraw/zinc/38/64/82/203386482.db2.gz AZYGFMLTLDSQBA-QGZVFWFLSA-N 2 0 341.499 3.281 50 0 EGAARP Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cc1F ZINC000244811340 455276581 /nfs/dbraw/zinc/27/65/81/455276581.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 2 0 335.467 3.125 50 0 EGAARP CC[C@H](C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067514780 453937674 /nfs/dbraw/zinc/93/76/74/453937674.db2.gz LNCAPOWNMQDSDM-SFHVURJKSA-N 2 0 345.531 3.076 50 0 EGAARP CC[C@@H](C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067514778 453937819 /nfs/dbraw/zinc/93/78/19/453937819.db2.gz LNCAPOWNMQDSDM-GOSISDBHSA-N 2 0 345.531 3.076 50 0 EGAARP CCOc1cccc(C[N@H+](CCO)CC2CC[NH+](C(C)C)CC2)c1 ZINC000055413289 453983604 /nfs/dbraw/zinc/98/36/04/453983604.db2.gz NAZOZJAXSMIFKS-UHFFFAOYSA-N 2 0 334.504 3.000 50 0 EGAARP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000095379398 454200802 /nfs/dbraw/zinc/20/08/02/454200802.db2.gz MWARWUZIUDOAFQ-FQEVSTJZSA-N 2 0 343.515 3.229 50 0 EGAARP O[C@@H](COc1cccc(C[NH2+]C2CCCC2)c1)C[NH+]1CCCCCC1 ZINC000015066881 1291146142 /nfs/dbraw/zinc/14/61/42/1291146142.db2.gz NNWURLGIKHYMNE-HXUWFJFHSA-N 2 0 346.515 3.335 50 0 EGAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000952971570 1334627518 /nfs/dbraw/zinc/62/75/18/1334627518.db2.gz FEDCPTKNGXNEPG-UHFFFAOYSA-N 2 0 333.863 3.454 50 0 EGAARP CC[C@H]1C=CC[N@@H+]1Cc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000952974930 1334628383 /nfs/dbraw/zinc/62/83/83/1334628383.db2.gz XHVILQPGFRFROG-FQEVSTJZSA-N 2 0 344.499 3.328 50 0 EGAARP C[C@@H](C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1)[NH+]1CCCC1 ZINC000072474472 203231359 /nfs/dbraw/zinc/23/13/59/203231359.db2.gz MFFVJYFZDCSBAP-INIZCTEOSA-N 2 0 340.471 3.433 50 0 EGAARP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231371 /nfs/dbraw/zinc/23/13/71/203231371.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 2 0 330.516 3.308 50 0 EGAARP COc1ccc(C(C)C)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077553733 203394718 /nfs/dbraw/zinc/39/47/18/203394718.db2.gz FOTJGRICEADFFS-UHFFFAOYSA-N 2 0 346.515 3.363 50 0 EGAARP COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc1C[NH+]1CCCC1 ZINC000101775278 204022850 /nfs/dbraw/zinc/02/28/50/204022850.db2.gz JCPJZAWMYFLZGX-WGMWDUQUSA-N 2 0 344.499 3.148 50 0 EGAARP Fc1ccccc1COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434666 453291821 /nfs/dbraw/zinc/29/18/21/453291821.db2.gz DFMUOKBJQQMPGY-UHFFFAOYSA-N 2 0 328.431 3.494 50 0 EGAARP Cc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc(C2CC[NH2+]CC2)n1 ZINC000067675577 453955181 /nfs/dbraw/zinc/95/51/81/453955181.db2.gz SNMOTMHZIJSTQN-UHFFFAOYSA-N 2 0 345.535 3.315 50 0 EGAARP COc1ccc2oc(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)nc2c1 ZINC000067724578 453961112 /nfs/dbraw/zinc/96/11/12/453961112.db2.gz HGOHADWQCMACFU-UHFFFAOYSA-N 2 0 329.444 3.238 50 0 EGAARP C[C@@H]1CCC[N@H+](CCOc2ccccc2C[NH+](C)CC2(C)COC2)C1 ZINC000823683720 1320197976 /nfs/dbraw/zinc/19/79/76/1320197976.db2.gz BLAPIFZGYHJBDL-GOSISDBHSA-N 2 0 346.515 3.266 50 0 EGAARP FC(F)(F)c1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957322 214109749 /nfs/dbraw/zinc/10/97/49/214109749.db2.gz IQXKNUVLCJFWFS-UHFFFAOYSA-N 2 0 342.405 3.250 50 0 EGAARP Cc1nn(C)c(C)c1C[N@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)C1CC1 ZINC000055131839 214277241 /nfs/dbraw/zinc/27/72/41/214277241.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 2 0 330.520 3.266 50 0 EGAARP COc1ccc2n[nH]c(C[NH+]3CCC([C@@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436383 216231047 /nfs/dbraw/zinc/23/10/47/216231047.db2.gz KNDCWBBGSWBFCA-OAHLLOKOSA-N 2 0 342.487 3.268 50 0 EGAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000215776061 241145801 /nfs/dbraw/zinc/14/58/01/241145801.db2.gz MCNGAHVDVXFPGN-NRFANRHFSA-N 2 0 344.543 3.424 50 0 EGAARP Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)c(C)c1 ZINC000244742239 243072066 /nfs/dbraw/zinc/07/20/66/243072066.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 2 0 331.504 3.294 50 0 EGAARP CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000091270292 454420905 /nfs/dbraw/zinc/42/09/05/454420905.db2.gz RLFWRGNTRWGYLW-UHFFFAOYSA-N 2 0 347.466 3.332 50 0 EGAARP CCCCc1cn(C2CC[NH+](C3CC[NH+](CCC)CC3)CC2)nn1 ZINC000048090855 454442751 /nfs/dbraw/zinc/44/27/51/454442751.db2.gz HGRQWYMYMRYHPV-UHFFFAOYSA-N 2 0 333.524 3.132 50 0 EGAARP C[NH+](C)CCOC1CC[NH+](Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000215146974 535892770 /nfs/dbraw/zinc/89/27/70/535892770.db2.gz XCBYWFIHRKLFML-UHFFFAOYSA-N 2 0 347.890 3.431 50 0 EGAARP CC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012207313 1291130788 /nfs/dbraw/zinc/13/07/88/1291130788.db2.gz QMEFAKWHAFCZSW-LJQANCHMSA-N 2 0 349.563 3.412 50 0 EGAARP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000952988427 1334631589 /nfs/dbraw/zinc/63/15/89/1334631589.db2.gz NYXFKLQIYNXKQM-KRWDZBQOSA-N 2 0 329.488 3.485 50 0 EGAARP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c(-n2cccn2)c1 ZINC000102717911 219224727 /nfs/dbraw/zinc/22/47/27/219224727.db2.gz YWJBRAAXFFYFHY-WGMWDUQUSA-N 2 0 338.499 3.261 50 0 EGAARP Cc1ccccc1-c1noc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067818434 215219085 /nfs/dbraw/zinc/21/90/85/215219085.db2.gz SLIPITWGZAZULM-UHFFFAOYSA-N 2 0 340.471 3.447 50 0 EGAARP C[NH+](C)CCCOc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000216417972 241192478 /nfs/dbraw/zinc/19/24/78/241192478.db2.gz YJJGMRJOSZKRKE-UHFFFAOYSA-N 2 0 342.487 3.120 50 0 EGAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000011817884 211250129 /nfs/dbraw/zinc/25/01/29/211250129.db2.gz VCBQUWVOBWXPCG-KRWDZBQOSA-N 2 0 347.547 3.164 50 0 EGAARP CC(C)(C)[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000014965136 453549722 /nfs/dbraw/zinc/54/97/22/453549722.db2.gz ZEAPUPBRTXQROS-GOSISDBHSA-N 2 0 334.504 3.190 50 0 EGAARP CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000097159726 454418006 /nfs/dbraw/zinc/41/80/06/454418006.db2.gz CUPRILWLEMWMFE-UHFFFAOYSA-N 2 0 338.455 3.407 50 0 EGAARP CC[N@@H+]1CCCN(Cc2ccccc2OCC[NH+]2CCCCC2)CC1 ZINC000215796139 535520053 /nfs/dbraw/zinc/52/00/53/535520053.db2.gz USDGTHCBSXNZIR-UHFFFAOYSA-N 2 0 345.531 3.079 50 0 EGAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccc(CO)o2)CC1 ZINC000012596143 1291133364 /nfs/dbraw/zinc/13/33/64/1291133364.db2.gz NGKYSPBPAQGRTK-UHFFFAOYSA-N 2 0 342.483 3.158 50 0 EGAARP CCn1ccnc1C[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000015063991 1291146211 /nfs/dbraw/zinc/14/62/11/1291146211.db2.gz PIIAVYNTNAKTGW-UHFFFAOYSA-N 2 0 340.515 3.290 50 0 EGAARP COc1ccc2cc(C[NH2+]CCC[N@@H+]3CCCC[C@@H]3CO)ccc2c1 ZINC000952986877 1334631575 /nfs/dbraw/zinc/63/15/75/1334631575.db2.gz BIVGDHSTXRRJPI-HXUWFJFHSA-N 2 0 342.483 3.175 50 0 EGAARP Cc1nc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)nc2c1CCCC2 ZINC000067841846 215226882 /nfs/dbraw/zinc/22/68/82/215226882.db2.gz UXVYRCWHIJLGIP-UHFFFAOYSA-N 2 0 342.531 3.108 50 0 EGAARP COc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1C[NH+]1CCCC1 ZINC000215681181 241139270 /nfs/dbraw/zinc/13/92/70/241139270.db2.gz WCSPUXRUIKCLGP-HXUWFJFHSA-N 2 0 332.488 3.028 50 0 EGAARP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000215559932 241131308 /nfs/dbraw/zinc/13/13/08/241131308.db2.gz URXBWAITNWTOLX-UHFFFAOYSA-N 2 0 340.467 3.367 50 0 EGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](CC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000012028521 211281394 /nfs/dbraw/zinc/28/13/94/211281394.db2.gz OWOOHLJCWIWWID-KRWDZBQOSA-N 2 0 337.552 3.077 50 0 EGAARP CC[NH+](CC)Cc1cc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000220286005 456038428 /nfs/dbraw/zinc/03/84/28/456038428.db2.gz MRQSWYAGBKRUGX-INIZCTEOSA-N 2 0 335.492 3.034 50 0 EGAARP Cc1nc2ccccn2c1C[NH+]1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072410800 216202220 /nfs/dbraw/zinc/20/22/20/216202220.db2.gz HVULPKCTIDCLRZ-QGZVFWFLSA-N 2 0 326.488 3.339 50 0 EGAARP COC[C@@H]1CC[N@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215799680 241147577 /nfs/dbraw/zinc/14/75/77/241147577.db2.gz SYKSKLMVLFEPPN-GOSISDBHSA-N 2 0 332.488 3.020 50 0 EGAARP CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455704 212132053 /nfs/dbraw/zinc/13/20/53/212132053.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 2 0 347.522 3.106 50 0 EGAARP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+](C)C)C3)cc2)c1 ZINC000091416990 218003156 /nfs/dbraw/zinc/00/31/56/218003156.db2.gz SXXBMMOORKYDLP-FGZHOGPDSA-N 2 0 338.495 3.264 50 0 EGAARP Cc1nc([C@@H]2CCC[N@H+](Cc3ccco3)C2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499806 454578667 /nfs/dbraw/zinc/57/86/67/454578667.db2.gz DZJQHAIQILZYDO-MRXNPFEDSA-N 2 0 337.427 3.252 50 0 EGAARP CC(C)[NH+]1CCC([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000670468421 548220208 /nfs/dbraw/zinc/22/02/08/548220208.db2.gz HIUGDEWEOXRYIK-UHFFFAOYSA-N 3 0 329.532 3.112 50 0 EGAARP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000015068978 1291145466 /nfs/dbraw/zinc/14/54/66/1291145466.db2.gz XORUCWYKBLOFAS-UHFFFAOYSA-N 2 0 347.466 3.411 50 0 EGAARP CC(C)([NH3+])c1nnc(NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC001772706213 1441417178 /nfs/dbraw/zinc/41/71/78/1441417178.db2.gz QOXDXECYCCHQQB-MRXNPFEDSA-N 2 0 343.475 3.120 50 0 EGAARP COc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)c(C)o2)c(C)c1C ZINC000067677295 215182601 /nfs/dbraw/zinc/18/26/01/215182601.db2.gz NWHKHWJEHXXVID-UHFFFAOYSA-N 2 0 343.471 3.446 50 0 EGAARP Cc1ccc(C[NH+]2CCC(C[N@H+](C)CCCn3cccn3)CC2)o1 ZINC000012031444 211282154 /nfs/dbraw/zinc/28/21/54/211282154.db2.gz NJXPWNLHAKAFBR-UHFFFAOYSA-N 2 0 330.476 3.019 50 0 EGAARP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013765785 453488249 /nfs/dbraw/zinc/48/82/49/453488249.db2.gz VTZLVAXMWLFFNO-QKLQHJQFSA-N 2 0 334.504 3.045 50 0 EGAARP CCOCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000426556060 457854425 /nfs/dbraw/zinc/85/44/25/457854425.db2.gz VUQLVHCOMYCZCF-HXUWFJFHSA-N 2 0 332.488 3.020 50 0 EGAARP Cc1c[nH+]ccc1NCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000825541520 1320346007 /nfs/dbraw/zinc/34/60/07/1320346007.db2.gz BNEUIECAJZZTBO-UHFFFAOYSA-N 2 0 344.890 3.136 50 0 EGAARP C[C@H](C[NH+]1CCCCC1)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000952861785 1334583103 /nfs/dbraw/zinc/58/31/03/1334583103.db2.gz KIVIRGAHJIHVAE-QGZVFWFLSA-N 2 0 329.488 3.343 50 0 EGAARP CSc1cccc(C[N@@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000020997385 212196316 /nfs/dbraw/zinc/19/63/16/212196316.db2.gz OGSQZKYKKRDDKY-GOSISDBHSA-N 2 0 335.561 3.256 50 0 EGAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]([NH3+])C3CCCCC3)cc2)CC1 ZINC000952969983 1334626764 /nfs/dbraw/zinc/62/67/64/1334626764.db2.gz GTAKJNUQBRDMFJ-IBGZPJMESA-N 2 0 345.487 3.006 50 0 EGAARP COc1cccc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c1OC ZINC000067491075 215154780 /nfs/dbraw/zinc/15/47/80/215154780.db2.gz PDNCVYWLXGKHQN-UHFFFAOYSA-N 2 0 332.488 3.148 50 0 EGAARP CCOc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)c(Cl)cc1OC ZINC000215890283 241152819 /nfs/dbraw/zinc/15/28/19/241152819.db2.gz DFHDZGAOACQJBX-ZDUSSCGKSA-N 2 0 326.868 3.131 50 0 EGAARP CC(C)[NH+]1CCC(CNC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000020166425 212108347 /nfs/dbraw/zinc/10/83/47/212108347.db2.gz IHSWAIOPYZRASH-HNNXBMFYSA-N 2 0 335.517 3.023 50 0 EGAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)cc2)C[C@@H]1CO ZINC000091931958 218090055 /nfs/dbraw/zinc/09/00/55/218090055.db2.gz HCXQYZQKOYVITA-RTBURBONSA-N 2 0 342.458 3.095 50 0 EGAARP COc1cccc(CC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1OC ZINC000055107488 295294033 /nfs/dbraw/zinc/29/40/33/295294033.db2.gz YMBKLVNOLMKBJZ-ZWKOTPCHSA-N 2 0 332.488 3.100 50 0 EGAARP O[C@H]1C[C@@H]([C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccccc2)C1 ZINC000252572237 455821935 /nfs/dbraw/zinc/82/19/35/455821935.db2.gz ZAHAPTXANHRACK-YZGWKJHDSA-N 2 0 328.500 3.401 50 0 EGAARP [NH3+]C1CC(c2cc(NCC3CC[NH+](C4CCCCC4)CC3)ncn2)C1 ZINC000220243647 456038609 /nfs/dbraw/zinc/03/86/09/456038609.db2.gz RPKFEEXJOOJDNS-UHFFFAOYSA-N 2 0 343.519 3.138 50 0 EGAARP CC[C@]1(O)CCC[N@H+](Cc2ccc(OC)c(C[NH+]3CCCC3)c2)C1 ZINC000215732770 535957176 /nfs/dbraw/zinc/95/71/76/535957176.db2.gz TYDBIMKCHZQPHE-FQEVSTJZSA-N 2 0 332.488 3.028 50 0 EGAARP COc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1C[NH+]1CCCC1 ZINC000215681136 241139529 /nfs/dbraw/zinc/13/95/29/241139529.db2.gz WCSPUXRUIKCLGP-FQEVSTJZSA-N 2 0 332.488 3.028 50 0 EGAARP CC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012574009 453376793 /nfs/dbraw/zinc/37/67/93/453376793.db2.gz TYEIQDOTVRJMIY-IBGZPJMESA-N 2 0 334.504 3.143 50 0 EGAARP Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591903 453379332 /nfs/dbraw/zinc/37/93/32/453379332.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 2 0 341.543 3.377 50 0 EGAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)C2CCOCC2)CC1 ZINC000012300353 1291132081 /nfs/dbraw/zinc/13/20/81/1291132081.db2.gz IAPLLYAHFBHOQS-UHFFFAOYSA-N 2 0 346.515 3.061 50 0 EGAARP COc1cccc(-c2ncc(C[N@H+]3C[C@@H]4[C@@H](C[NH+](C)C)[C@@H]4C3)s2)c1 ZINC000102594773 219212984 /nfs/dbraw/zinc/21/29/84/219212984.db2.gz OSKINTYFFNHGCM-NNZMDNLPSA-N 2 0 343.496 3.058 50 0 EGAARP CC(C)[N@@H+]1CCC[C@H](C[NH+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821537 215223079 /nfs/dbraw/zinc/22/30/79/215223079.db2.gz MJKQIOVSTAGHOB-MRXNPFEDSA-N 2 0 327.472 3.080 50 0 EGAARP C[N@H+](Cc1cc(-c2ccccn2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067852034 215232041 /nfs/dbraw/zinc/23/20/41/215232041.db2.gz VQELLXKRABQOES-UHFFFAOYSA-N 2 0 340.471 3.481 50 0 EGAARP Cc1cc(C)n(-c2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000244602001 243044466 /nfs/dbraw/zinc/04/44/66/243044466.db2.gz DVXGNXVLXBAWSB-IBGZPJMESA-N 2 0 326.488 3.405 50 0 EGAARP c1coc(C[N@@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000012304981 211338879 /nfs/dbraw/zinc/33/88/79/211338879.db2.gz FMBGBSMSEUKDJG-IBGZPJMESA-N 2 0 325.456 3.409 50 0 EGAARP [NH3+]C[C@@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953421 453660943 /nfs/dbraw/zinc/66/09/43/453660943.db2.gz QBYGIQHUJDCEQF-INIZCTEOSA-N 2 0 325.456 3.196 50 0 EGAARP c1cc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)ncc1C[NH+]1CCCCC1 ZINC000952854548 1334581697 /nfs/dbraw/zinc/58/16/97/1334581697.db2.gz RQGPRHULPGMNMD-LEWJYISDSA-N 2 0 343.515 3.253 50 0 EGAARP CO[C@@H]1CCC[C@]12CCC[N@H+](Cc1ccccc1OCC[NH+](C)C)C2 ZINC001704337704 1416448963 /nfs/dbraw/zinc/44/89/63/1416448963.db2.gz CUXVQLOTNCUMHM-NHCUHLMSSA-N 2 0 346.515 3.408 50 0 EGAARP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067725492 215195738 /nfs/dbraw/zinc/19/57/38/215195738.db2.gz XRZZJULJEQUIAG-HNNXBMFYSA-N 2 0 347.478 3.363 50 0 EGAARP Cc1cc(=O)oc2cc(C[N@@H+]3CCC[C@H](Cn4ccnc4)C3)ccc12 ZINC000067727015 215196911 /nfs/dbraw/zinc/19/69/11/215196911.db2.gz MIQXAZLQOAMYIF-KRWDZBQOSA-N 2 0 337.423 3.210 50 0 EGAARP CCCC[NH+]1CCC(CNC(=O)c2cccc([C@H]3CC[NH2+]C3)c2)CC1 ZINC000072173766 216063382 /nfs/dbraw/zinc/06/33/82/216063382.db2.gz LTVCDAYDSXMYPR-FQEVSTJZSA-N 2 0 343.515 3.005 50 0 EGAARP COc1ccc2n[nH]c(C[NH+]3CCC([C@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436381 216231465 /nfs/dbraw/zinc/23/14/65/216231465.db2.gz KNDCWBBGSWBFCA-HNNXBMFYSA-N 2 0 342.487 3.268 50 0 EGAARP CC[NH+]1CCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000019888831 212080035 /nfs/dbraw/zinc/08/00/35/212080035.db2.gz IJWYSZNXDHKPSF-UHFFFAOYSA-N 2 0 337.511 3.442 50 0 EGAARP Cn1cncc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091518987 218017047 /nfs/dbraw/zinc/01/70/47/218017047.db2.gz PDKPJKAQIUXSJI-LJQANCHMSA-N 2 0 338.499 3.122 50 0 EGAARP COCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095376740 218308761 /nfs/dbraw/zinc/30/87/61/218308761.db2.gz GRFCDKVQFWJVKD-IBGZPJMESA-N 2 0 328.500 3.367 50 0 EGAARP COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(OC)c1C ZINC000000169329 452524783 /nfs/dbraw/zinc/52/47/83/452524783.db2.gz ZSUNBOHTNLWING-UHFFFAOYSA-N 2 0 332.488 3.463 50 0 EGAARP C[N@H+](Cc1cccc2ncccc12)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063834253 454452843 /nfs/dbraw/zinc/45/28/43/454452843.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 2 0 339.483 3.046 50 0 EGAARP Cc1cccc(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)n1 ZINC001772809997 1441417594 /nfs/dbraw/zinc/41/75/94/1441417594.db2.gz BTVDPPGQXRQPNI-RBBKRZOGSA-N 2 0 335.495 3.087 50 0 EGAARP Cc1cc(C)n(CC2(C[NH2+]C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000055073205 214269340 /nfs/dbraw/zinc/26/93/40/214269340.db2.gz SCJNPZRMYBFYPP-RBUKOAKNSA-N 2 0 330.520 3.134 50 0 EGAARP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689186 215185857 /nfs/dbraw/zinc/18/58/57/215185857.db2.gz XYBSADBBVGAJNO-IBGZPJMESA-N 2 0 341.499 3.425 50 0 EGAARP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067725488 215196292 /nfs/dbraw/zinc/19/62/92/215196292.db2.gz XRZZJULJEQUIAG-OAHLLOKOSA-N 2 0 347.478 3.363 50 0 EGAARP COc1ccc2c(c1)[nH]nc2C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC000072154045 216044266 /nfs/dbraw/zinc/04/42/66/216044266.db2.gz ISJBMDHGIUTOBD-UHFFFAOYSA-N 2 0 342.487 3.125 50 0 EGAARP CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012702621 279256421 /nfs/dbraw/zinc/25/64/21/279256421.db2.gz GJERCFJYRRYSAL-GOSISDBHSA-N 2 0 335.536 3.022 50 0 EGAARP CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000244884114 279289230 /nfs/dbraw/zinc/28/92/30/279289230.db2.gz YFOMLPOOIUORCX-UHFFFAOYSA-N 2 0 343.515 3.230 50 0 EGAARP c1ccc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019637405 453657225 /nfs/dbraw/zinc/65/72/25/453657225.db2.gz MYPDXFPPZFFXJF-UHFFFAOYSA-N 2 0 349.522 3.469 50 0 EGAARP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(-n2cccn2)c1 ZINC000065383213 454557756 /nfs/dbraw/zinc/55/77/56/454557756.db2.gz MNWMIYPOPAXZNV-UHFFFAOYSA-N 2 0 347.466 3.206 50 0 EGAARP CO[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC001704308492 1416437048 /nfs/dbraw/zinc/43/70/48/1416437048.db2.gz SDFUMTFAJLGLAX-JKSUJKDBSA-N 2 0 339.361 3.351 50 0 EGAARP O=C(c1ccccn1)[C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067784145 215210391 /nfs/dbraw/zinc/21/03/91/215210391.db2.gz LQNVMCSLYNIKKB-KRWDZBQOSA-N 2 0 341.499 3.289 50 0 EGAARP OC[C@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091987546 218099957 /nfs/dbraw/zinc/09/99/57/218099957.db2.gz IHCCSRQHRMBFRI-NHCUHLMSSA-N 2 0 330.516 3.036 50 0 EGAARP O[C@H]1C[C@@H]([C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccccc2)C1 ZINC000252572236 455821822 /nfs/dbraw/zinc/82/18/22/455821822.db2.gz ZAHAPTXANHRACK-SXLOBPIMSA-N 2 0 328.500 3.401 50 0 EGAARP Cc1cc(=O)oc2cc(C[N@@H+]3CCC[C@@H](Cn4ccnc4)C3)ccc12 ZINC000067727019 215196629 /nfs/dbraw/zinc/19/66/29/215196629.db2.gz MIQXAZLQOAMYIF-QGZVFWFLSA-N 2 0 337.423 3.210 50 0 EGAARP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000215137592 241110006 /nfs/dbraw/zinc/11/00/06/241110006.db2.gz XFROIUOZZLPLOR-QGZVFWFLSA-N 2 0 329.532 3.283 50 0 EGAARP CC(C)[NH+]1CCC(N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000020780451 212171845 /nfs/dbraw/zinc/17/18/45/212171845.db2.gz UJLCYOXOMZPZFH-OAQYLSRUSA-N 2 0 329.532 3.456 50 0 EGAARP COc1cccc([C@H]2CN(c3cc[nH+]cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095356021 218289585 /nfs/dbraw/zinc/28/95/85/218289585.db2.gz DJNPFPOAYLACRV-NJDAHSKKSA-N 2 0 335.451 3.157 50 0 EGAARP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065397282 454560616 /nfs/dbraw/zinc/56/06/16/454560616.db2.gz NEEXSKXZZIKUNV-HXUWFJFHSA-N 2 0 338.499 3.494 50 0 EGAARP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000952972609 1334627694 /nfs/dbraw/zinc/62/76/94/1334627694.db2.gz GEMCZAZKFVBPOG-QGZVFWFLSA-N 2 0 329.488 3.341 50 0 EGAARP CC(C)[N@@H+]1CCN(CC[NH+]2CCC(c3ccccc3)CC2)C[C@H]1C ZINC000039537221 213240020 /nfs/dbraw/zinc/24/00/20/213240020.db2.gz VMGXSAFRVRDTRG-LJQANCHMSA-N 2 0 329.532 3.281 50 0 EGAARP [NH3+]CCc1ccc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000072477455 216255307 /nfs/dbraw/zinc/25/53/07/216255307.db2.gz CUHCXSGTMWTJLE-QFIPXVFZSA-N 2 0 338.495 3.003 50 0 EGAARP Cc1c2cc(C)ccc2oc1C[NH+]1CCN(C2CC[NH+](C)CC2)CC1 ZINC000215344867 241121212 /nfs/dbraw/zinc/12/12/12/241121212.db2.gz DQEHTDCNQKVIJG-UHFFFAOYSA-N 2 0 341.499 3.261 50 0 EGAARP CC(C)(C)c1cc(O)cc(C(C)(C)C)c1C[NH+]1CCN(CC[NH3+])CC1 ZINC000019367669 212022288 /nfs/dbraw/zinc/02/22/88/212022288.db2.gz YOCBJWKXNPRDLG-UHFFFAOYSA-N 2 0 347.547 3.064 50 0 EGAARP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012429908 211377506 /nfs/dbraw/zinc/37/75/06/211377506.db2.gz DGINPQDJHXHVLV-GOSISDBHSA-N 2 0 335.536 3.022 50 0 EGAARP C[N@H+](CCc1ccccn1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299796639 258101152 /nfs/dbraw/zinc/10/11/52/258101152.db2.gz NVROHKOKFFDYGI-IBGZPJMESA-N 2 0 339.483 3.135 50 0 EGAARP C[C@H](C1CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1)[NH+](C)C ZINC000077302138 454087820 /nfs/dbraw/zinc/08/78/20/454087820.db2.gz PAIAFTULRFUBQS-OAHLLOKOSA-N 2 0 330.451 3.174 50 0 EGAARP C[N@H+](Cc1ccccc1OCC[NH+]1CCCCC1)CC1(C)COC1 ZINC000670454128 548218522 /nfs/dbraw/zinc/21/85/22/548218522.db2.gz TZNPXSXNLOJXPW-UHFFFAOYSA-N 2 0 332.488 3.020 50 0 EGAARP O=C(C[NH+]1CCCCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012587794 1291133065 /nfs/dbraw/zinc/13/30/65/1291133065.db2.gz MNFNKNKMNNEDQX-IBGZPJMESA-N 2 0 335.536 3.023 50 0 EGAARP C[C@H](C[NH+]1CCCCC1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952871936 1334583712 /nfs/dbraw/zinc/58/37/12/1334583712.db2.gz HJWNZTJRSNWUNW-QGZVFWFLSA-N 2 0 329.488 3.343 50 0 EGAARP Cc1ccc(C(F)(F)F)cc1C[NH+]1CCC(CO)(C[NH+](C)C)CC1 ZINC001772710031 1441417059 /nfs/dbraw/zinc/41/70/59/1441417059.db2.gz UJJWNZSRRRDMAI-UHFFFAOYSA-N 2 0 344.421 3.150 50 0 EGAARP Cc1cc(N2CCC[N@@H+](Cc3cc(C[NH+](C)C)cs3)CC2)cc[nH+]1 ZINC000072171430 216062331 /nfs/dbraw/zinc/06/23/31/216062331.db2.gz ZBNIOZSILJYXQC-UHFFFAOYSA-N 3 0 344.528 3.225 50 0 EGAARP Cc1cc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)cc(C)[nH+]1 ZINC000072477682 216255093 /nfs/dbraw/zinc/25/50/93/216255093.db2.gz ZCSQDHTUKIRKIG-UHFFFAOYSA-N 2 0 347.466 3.206 50 0 EGAARP CC(C)[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000091390996 218000043 /nfs/dbraw/zinc/00/00/43/218000043.db2.gz JSXBKFMVCISLDU-LEWJYISDSA-N 2 0 329.532 3.169 50 0 EGAARP CC1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000010540953 211179244 /nfs/dbraw/zinc/17/92/44/211179244.db2.gz WLJRUOFICXHUJX-UHFFFAOYSA-N 2 0 343.515 3.134 50 0 EGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC000002479871 289114267 /nfs/dbraw/zinc/11/42/67/289114267.db2.gz LZMZXBOPTVDSHV-UHFFFAOYSA-N 2 0 345.453 3.411 50 0 EGAARP Cn1c[n+](CCCCC[n+]2cn(C)c3ccccc32)c2ccccc21 ZINC000003212552 452748762 /nfs/dbraw/zinc/74/87/62/452748762.db2.gz HDQYSAGGRPKUPU-UHFFFAOYSA-N 2 0 334.467 3.116 50 0 EGAARP C[C@H](C1CC[NH+](CCSc2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000077358136 454096306 /nfs/dbraw/zinc/09/63/06/454096306.db2.gz GDMLFHIDVCTZSU-GOSISDBHSA-N 2 0 347.572 3.127 50 0 EGAARP C[C@@H](C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1)[NH+](C)C ZINC000077438558 454106439 /nfs/dbraw/zinc/10/64/39/454106439.db2.gz ZTCFLCQRXMQWMH-AWEZNQCLSA-N 2 0 330.501 3.367 50 0 EGAARP C[C@H](C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077555216 454121915 /nfs/dbraw/zinc/12/19/15/454121915.db2.gz YVUSDAXOXKVDPV-MRXNPFEDSA-N 2 0 335.923 3.188 50 0 EGAARP O[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH+]1CCCCCC1 ZINC000071748740 454213093 /nfs/dbraw/zinc/21/30/93/454213093.db2.gz VSONHHUYDZFBAC-WOJBJXKFSA-N 2 0 325.456 3.050 50 0 EGAARP CC1(C)CC([N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)[NH2+]1 ZINC000065526474 454584099 /nfs/dbraw/zinc/58/40/99/454584099.db2.gz VZOPYUQAZWJULF-ZWKOTPCHSA-N 2 0 334.479 3.285 50 0 EGAARP C[NH+](C)Cc1csc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000222554259 456048305 /nfs/dbraw/zinc/04/83/05/456048305.db2.gz KKAPPSODJGHFPD-UHFFFAOYSA-N 2 0 330.497 3.293 50 0 EGAARP CN1Cc2ccccc2C[C@H]1C[N@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000952989259 1334631399 /nfs/dbraw/zinc/63/13/99/1334631399.db2.gz QHESGQKBVVCTPK-NRFANRHFSA-N 2 0 341.543 3.287 50 0 EGAARP CC[NH2+]CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019737000 212059091 /nfs/dbraw/zinc/05/90/91/212059091.db2.gz SRNZQLYMXRAICA-UHFFFAOYSA-N 2 0 337.511 3.393 50 0 EGAARP OC[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091746556 218058696 /nfs/dbraw/zinc/05/86/96/218058696.db2.gz SFONKJZJGUOAJR-WOJBJXKFSA-N 2 0 341.499 3.084 50 0 EGAARP Cc1cc(C)[nH+]c(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095523238 454227730 /nfs/dbraw/zinc/22/77/30/454227730.db2.gz TYSGJUYGZMILIW-SFHVURJKSA-N 2 0 341.503 3.231 50 0 EGAARP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)C2CCOCC2)C1 ZINC000055199843 214289105 /nfs/dbraw/zinc/28/91/05/214289105.db2.gz FMONFHPNPOQMBT-LJQANCHMSA-N 2 0 330.516 3.360 50 0 EGAARP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1Cc1cccnc1 ZINC000067589089 215166425 /nfs/dbraw/zinc/16/64/25/215166425.db2.gz MTQVQBLKVSGZEI-UHFFFAOYSA-N 2 0 338.499 3.124 50 0 EGAARP C[C@H](C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1)[NH+]1CCCC1 ZINC000072474473 216251315 /nfs/dbraw/zinc/25/13/15/216251315.db2.gz MFFVJYFZDCSBAP-MRXNPFEDSA-N 2 0 340.471 3.433 50 0 EGAARP C[C@@H](C1CC[NH+](CCSc2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000077358134 454096951 /nfs/dbraw/zinc/09/69/51/454096951.db2.gz GDMLFHIDVCTZSU-SFHVURJKSA-N 2 0 347.572 3.127 50 0 EGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000077504824 454115396 /nfs/dbraw/zinc/11/53/96/454115396.db2.gz BBWPRFWMGQMFDF-UHFFFAOYSA-N 2 0 337.427 3.085 50 0 EGAARP CCCc1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000022341421 1291212666 /nfs/dbraw/zinc/21/26/66/1291212666.db2.gz FFBIERFAMYOJQM-SFHVURJKSA-N 2 0 348.531 3.278 50 0 EGAARP Cc1ccc(-c2cccc(C[N@@H+]3CCOC4(CC[NH2+]CC4)C3)c2)o1 ZINC000825197966 1320317390 /nfs/dbraw/zinc/31/73/90/1320317390.db2.gz XOFYKSDUJFUDCQ-UHFFFAOYSA-N 2 0 326.440 3.209 50 0 EGAARP Cc1cc(C)n(CC2(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)CC2)n1 ZINC000067879962 215239720 /nfs/dbraw/zinc/23/97/20/215239720.db2.gz FORDVSAKKSIWLT-UHFFFAOYSA-N 2 0 330.520 3.182 50 0 EGAARP COc1ccccc1[C@H]1CN(c2cc[nH+]cc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072162209 216049881 /nfs/dbraw/zinc/04/98/81/216049881.db2.gz GCDICYKGDPCTDI-HMXCVIKNSA-N 2 0 335.451 3.157 50 0 EGAARP CC(C)[N@@H+]1CC[C@@H](C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758130 243075551 /nfs/dbraw/zinc/07/55/51/243075551.db2.gz OSWHYCPUVFPDGS-INIZCTEOSA-N 2 0 336.907 3.354 50 0 EGAARP Cc1cc(C)[nH+]c(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095523239 291874068 /nfs/dbraw/zinc/87/40/68/291874068.db2.gz TYSGJUYGZMILIW-GOSISDBHSA-N 2 0 341.503 3.231 50 0 EGAARP Cc1cc(-n2nc(-c3ccncc3)nc2[C@H](C)C[NH+]2CCCC2)cc[nH+]1 ZINC000097631927 278619516 /nfs/dbraw/zinc/61/95/16/278619516.db2.gz KBYODJBZUGRXCM-OAHLLOKOSA-N 2 0 348.454 3.232 50 0 EGAARP c1ccc2c[n+](CCOCC[n+]3ccc4ccccc4c3)ccc2c1 ZINC000001923509 452681070 /nfs/dbraw/zinc/68/10/70/452681070.db2.gz URGUKFUEHPNBAL-UHFFFAOYSA-N 2 0 330.431 3.285 50 0 EGAARP C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095504810 454223887 /nfs/dbraw/zinc/22/38/87/454223887.db2.gz RGVUDIJCNXRGMP-QGZVFWFLSA-N 2 0 349.482 3.377 50 0 EGAARP C[N@@H+](Cc1cnn2cccnc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000216518264 536485242 /nfs/dbraw/zinc/48/52/42/536485242.db2.gz YCNDRSMTYKPKAK-UHFFFAOYSA-N 2 0 349.482 3.073 50 0 EGAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000072134660 216024069 /nfs/dbraw/zinc/02/40/69/216024069.db2.gz JQDJUULYVWUMEM-NRFANRHFSA-N 2 0 346.515 3.287 50 0 EGAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072409173 216201637 /nfs/dbraw/zinc/20/16/37/216201637.db2.gz AIDABWMDVYPEMH-NRFANRHFSA-N 2 0 336.479 3.212 50 0 EGAARP C[N@H+](C/C=C/c1ccccc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023192607 212359804 /nfs/dbraw/zinc/35/98/04/212359804.db2.gz OPESQIZQSYOBKF-ALQXMYAYSA-N 2 0 348.490 3.369 50 0 EGAARP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000215137542 241107248 /nfs/dbraw/zinc/10/72/48/241107248.db2.gz XFROIUOZZLPLOR-KRWDZBQOSA-N 2 0 329.532 3.283 50 0 EGAARP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774138 243080095 /nfs/dbraw/zinc/08/00/95/243080095.db2.gz POLTVZZTSVBYPQ-CQSZACIVSA-N 2 0 341.858 3.224 50 0 EGAARP C[C@@H](C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077555214 454122009 /nfs/dbraw/zinc/12/20/09/454122009.db2.gz YVUSDAXOXKVDPV-INIZCTEOSA-N 2 0 335.923 3.188 50 0 EGAARP C[NH+](C)CCNc1c2c([nH+]c3ccc(Br)cc31)CCC2 ZINC000170622769 454943785 /nfs/dbraw/zinc/94/37/85/454943785.db2.gz WFEIMUGGUSSFNY-UHFFFAOYSA-N 2 0 334.261 3.460 50 0 EGAARP CCC[NH+]1CCC([NH+]2CCC(n3cc(C(C)(C)C)nn3)CC2)CC1 ZINC000048241174 1291598227 /nfs/dbraw/zinc/59/82/27/1291598227.db2.gz WJSBRISRNZYUSB-UHFFFAOYSA-N 2 0 333.524 3.087 50 0 EGAARP C[NH+](C)Cc1csc(C[NH2+]Cc2cnn(-c3cccc(F)c3)c2)c1 ZINC000952982435 1334629700 /nfs/dbraw/zinc/62/97/00/1334629700.db2.gz XDHQXSSVTQRXPJ-UHFFFAOYSA-N 2 0 344.459 3.424 50 0 EGAARP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@H+](C)Cc3cnn(-c4ccccc4)c3)C[C@@H]2C1 ZINC001704280277 1416419210 /nfs/dbraw/zinc/41/92/10/1416419210.db2.gz YFFBGJAIWHUNBP-GHSBBIOCSA-N 2 0 338.499 3.423 50 0 EGAARP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@H+](C)Cc3cnc(-c4ccco4)nc3)C[C@@H]2C1 ZINC001704300583 1416432890 /nfs/dbraw/zinc/43/28/90/1416432890.db2.gz YAIGXQYOZKAQKQ-USTZCAOPSA-N 2 0 340.471 3.287 50 0 EGAARP Cc1cc(N2CCC[N@H+](Cc3cccc4nccnc34)CC2)cc[nH+]1 ZINC000072121001 216013334 /nfs/dbraw/zinc/01/33/34/216013334.db2.gz HNXXQJWBGRDMQT-UHFFFAOYSA-N 2 0 333.439 3.046 50 0 EGAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072409172 216200597 /nfs/dbraw/zinc/20/05/97/216200597.db2.gz AIDABWMDVYPEMH-OAQYLSRUSA-N 2 0 336.479 3.212 50 0 EGAARP C[NH+](C)C1(CNC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CCCCC1 ZINC000020996230 212196370 /nfs/dbraw/zinc/19/63/70/212196370.db2.gz CXPIMOMOZKGGOQ-AWEZNQCLSA-N 2 0 335.517 3.167 50 0 EGAARP CC[NH+]1CCN(CCOc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000222408418 279357931 /nfs/dbraw/zinc/35/79/31/279357931.db2.gz RUHCJCXLQNYRST-UHFFFAOYSA-N 2 0 345.531 3.079 50 0 EGAARP CSc1ccccc1C[NH+]1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077520719 454117019 /nfs/dbraw/zinc/11/70/19/454117019.db2.gz WWVURKRJSNVEMO-QGZVFWFLSA-N 2 0 347.572 3.256 50 0 EGAARP CCCC[NH+]1CCC(CNC(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000072173765 216063464 /nfs/dbraw/zinc/06/34/64/216063464.db2.gz LTVCDAYDSXMYPR-HXUWFJFHSA-N 2 0 343.515 3.005 50 0 EGAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000010434554 211172696 /nfs/dbraw/zinc/17/26/96/211172696.db2.gz PVGJLICTTKARSM-UHFFFAOYSA-N 2 0 340.467 3.363 50 0 EGAARP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000095358458 218292017 /nfs/dbraw/zinc/29/20/17/218292017.db2.gz GCHBEVIIHXHHSS-FQEVSTJZSA-N 2 0 343.515 3.163 50 0 EGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2nc3ccccc3nc2C)CC1 ZINC000077287121 454085796 /nfs/dbraw/zinc/08/57/96/454085796.db2.gz AILPEUIHHBVCGJ-UHFFFAOYSA-N 2 0 347.466 3.354 50 0 EGAARP Cc1ccc(C2(C[N@H+](C)Cc3cccnc3Cl)CC[NH2+]CC2)nc1 ZINC000065431032 454567195 /nfs/dbraw/zinc/56/71/95/454567195.db2.gz BQRRLUMISLQPNQ-UHFFFAOYSA-N 2 0 344.890 3.192 50 0 EGAARP CC[NH+](CC)Cc1cc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000220286071 456039178 /nfs/dbraw/zinc/03/91/78/456039178.db2.gz MRQSWYAGBKRUGX-MRXNPFEDSA-N 2 0 335.492 3.034 50 0 EGAARP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774137 536138050 /nfs/dbraw/zinc/13/80/50/536138050.db2.gz POLTVZZTSVBYPQ-AWEZNQCLSA-N 2 0 341.858 3.224 50 0 EGAARP [NH3+][C@H]1CCC[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001772807143 1441417381 /nfs/dbraw/zinc/41/73/81/1441417381.db2.gz JZUZYGXIDSWLPT-QAPCUYQASA-N 2 0 349.906 3.005 50 0 EGAARP Cc1cc(Cl)cc2c(N3CCC4(CC3)C[N@H+](C)CCO4)ccnc12 ZINC001772818809 1441417687 /nfs/dbraw/zinc/41/76/87/1441417687.db2.gz LMVIZVHFMURCSD-UHFFFAOYSA-N 2 0 345.874 3.498 50 0 EGAARP COc1cc(C)c(-c2nc(C[NH+]3CCC(C[NH3+])CC3)c(C)o2)cc1C ZINC000067603796 215166959 /nfs/dbraw/zinc/16/69/59/215166959.db2.gz FGLQGWZTFMGVIA-UHFFFAOYSA-N 2 0 343.471 3.446 50 0 EGAARP CC1(C)CC([N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000067654565 215175703 /nfs/dbraw/zinc/17/57/03/215175703.db2.gz KAMGYWNBURLGCV-HNNXBMFYSA-N 2 0 329.488 3.286 50 0 EGAARP Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1CC1=CC[NH2+]CC1 ZINC000067713187 215190349 /nfs/dbraw/zinc/19/03/49/215190349.db2.gz QHWRQUHKNZAJFK-UHFFFAOYSA-N 2 0 331.423 3.100 50 0 EGAARP O=C(CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000067758152 215206308 /nfs/dbraw/zinc/20/63/08/215206308.db2.gz QCXGUYRXLCGXEI-UHFFFAOYSA-N 2 0 333.451 3.056 50 0 EGAARP Cc1cc(N2CCC[N@@H+](Cc3ccnc(C(C)C)n3)CC2)cc[nH+]1 ZINC000072149252 216037102 /nfs/dbraw/zinc/03/71/02/216037102.db2.gz URKWMGGZUDFEBY-UHFFFAOYSA-N 2 0 325.460 3.016 50 0 EGAARP C[C@H](C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1)[NH+](C)C ZINC000077438559 454106492 /nfs/dbraw/zinc/10/64/92/454106492.db2.gz ZTCFLCQRXMQWMH-CQSZACIVSA-N 2 0 330.501 3.367 50 0 EGAARP C[N@H+](C[C@H]1CC(=O)N(C2CCCC2)C1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067695545 215187769 /nfs/dbraw/zinc/18/77/69/215187769.db2.gz ZWENKWBNPXBAET-QGZVFWFLSA-N 2 0 347.547 3.022 50 0 EGAARP Cc1cc(N2CCC[N@H+](Cc3cnc(-c4ccco4)nc3)CC2)cc[nH+]1 ZINC000072135608 216025485 /nfs/dbraw/zinc/02/54/85/216025485.db2.gz VEIQDFBLPOSJGK-UHFFFAOYSA-N 2 0 349.438 3.152 50 0 EGAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425675 241191066 /nfs/dbraw/zinc/19/10/66/241191066.db2.gz LMJPIZDMUJNKLK-QFIPXVFZSA-N 2 0 338.495 3.207 50 0 EGAARP CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455706 212132098 /nfs/dbraw/zinc/13/20/98/212132098.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 2 0 347.522 3.106 50 0 EGAARP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000095379397 218312781 /nfs/dbraw/zinc/31/27/81/218312781.db2.gz MWARWUZIUDOAFQ-HXUWFJFHSA-N 2 0 343.515 3.229 50 0 EGAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000057266539 454116349 /nfs/dbraw/zinc/11/63/49/454116349.db2.gz ITPYSZBIMZSFSI-UHFFFAOYSA-N 2 0 349.862 3.022 50 0 EGAARP C(CC1CC[NH+](C2CCCC2)CC1)[NH2+]C1CSCCSC1 ZINC000670473762 548221635 /nfs/dbraw/zinc/22/16/35/548221635.db2.gz KBDXRFIONJGAPI-UHFFFAOYSA-N 2 0 328.591 3.469 50 0 EGAARP CC[C@@H]1C=CC[N@@H+]1Cc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000952974936 1334628523 /nfs/dbraw/zinc/62/85/23/1334628523.db2.gz XHVILQPGFRFROG-HXUWFJFHSA-N 2 0 344.499 3.328 50 0 EGAARP CC(C)([NH3+])c1nnc(NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC001772706204 1441417163 /nfs/dbraw/zinc/41/71/63/1441417163.db2.gz QOXDXECYCCHQQB-INIZCTEOSA-N 2 0 343.475 3.120 50 0 EGAARP COc1cccc([C@@H]2CN(c3cc[nH+]cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072140463 216027665 /nfs/dbraw/zinc/02/76/65/216027665.db2.gz DJNPFPOAYLACRV-PWRODBHTSA-N 2 0 335.451 3.157 50 0 EGAARP [NH3+]CCc1cccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000072429619 216222629 /nfs/dbraw/zinc/22/26/29/216222629.db2.gz QZKYOMUVZLEWQP-UHFFFAOYSA-N 2 0 328.431 3.370 50 0 EGAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000011817883 211249198 /nfs/dbraw/zinc/24/91/98/211249198.db2.gz VCBQUWVOBWXPCG-QGZVFWFLSA-N 2 0 347.547 3.164 50 0 EGAARP CCn1ccnc1C[N@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000015078715 453555064 /nfs/dbraw/zinc/55/50/64/453555064.db2.gz IGJKPRUAXLUSNT-UHFFFAOYSA-N 2 0 330.476 3.148 50 0 EGAARP CO[C@@H]1CC[N@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000215764853 536686949 /nfs/dbraw/zinc/68/69/49/536686949.db2.gz MVFMMRSYILBNFH-HXUWFJFHSA-N 2 0 332.488 3.162 50 0 EGAARP Cc1cc(C)n(C[C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000952968436 1334626988 /nfs/dbraw/zinc/62/69/88/1334626988.db2.gz LUIAAJYVUOSSCA-GOSISDBHSA-N 2 0 340.515 3.390 50 0 EGAARP