smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])C(C)(C)C)C1 ZINC000952845094 792774988 /nfs/dbraw/zinc/77/49/88/792774988.db2.gz PXDYQABZFYKPJG-OAGGEKHMSA-N 2 0 309.498 2.473 50 0 DEAARP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1COCCO1 ZINC001529112315 1070862795 /nfs/dbraw/zinc/86/27/95/1070862795.db2.gz KIFJNPSEPAQJJI-LJQANCHMSA-N 2 0 318.461 2.246 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299740437 529440487 /nfs/dbraw/zinc/44/04/87/529440487.db2.gz ZXDCBTPDACODDQ-HYVNUMGLSA-N 2 0 303.450 2.093 50 0 DEAARP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101748 355702320 /nfs/dbraw/zinc/70/23/20/355702320.db2.gz KXKQVNNSHDEDTM-IRXDYDNUSA-N 2 0 309.498 2.094 50 0 DEAARP CCCc1n(C)cc[n+]1CCCC[n+]1ccn(C)c1CCC ZINC000585151860 357339982 /nfs/dbraw/zinc/33/99/82/357339982.db2.gz NQWWYARFXHQDOW-UHFFFAOYSA-N 2 0 304.482 2.324 50 0 DEAARP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc(F)c1O ZINC000067872427 402177067 /nfs/dbraw/zinc/17/70/67/402177067.db2.gz KZGHPFRRQAUYHV-UHFFFAOYSA-N 2 0 308.397 2.458 50 0 DEAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000056308840 276359202 /nfs/dbraw/zinc/35/92/02/276359202.db2.gz XRPBBPQYNJATQN-QGZVFWFLSA-N 2 0 307.482 2.242 50 0 DEAARP Cc1nn(C)c(C)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067452812 279191114 /nfs/dbraw/zinc/19/11/14/279191114.db2.gz RYPJHTFLCBCDNL-OKILXGFUSA-N 2 0 308.470 2.016 50 0 DEAARP O[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](CCCc3ccccc3)C2)C1 ZINC000585133483 790330635 /nfs/dbraw/zinc/33/06/35/790330635.db2.gz JLLWOPMDPDTAFK-RBUKOAKNSA-N 2 0 302.462 2.398 50 0 DEAARP COCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000095422246 185360768 /nfs/dbraw/zinc/36/07/68/185360768.db2.gz XRPRKLISPQMAHA-GOSISDBHSA-N 2 0 323.525 2.484 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000095466773 185371939 /nfs/dbraw/zinc/37/19/39/185371939.db2.gz QSSFJWHUDGBFOH-SFHVURJKSA-N 2 0 317.477 2.137 50 0 DEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2nc3c(s2)CCCC3)CC1 ZINC000072150494 191056320 /nfs/dbraw/zinc/05/63/20/191056320.db2.gz BPUHXEBUHRVNDP-QGZVFWFLSA-N 2 0 323.506 2.301 50 0 DEAARP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237465606 186294206 /nfs/dbraw/zinc/29/42/06/186294206.db2.gz HUJGRTKIOVSDRZ-ZBFHGGJFSA-N 2 0 303.450 2.235 50 0 DEAARP COc1ccc(CN(CC[NH3+])[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000022859834 354056866 /nfs/dbraw/zinc/05/68/66/354056866.db2.gz UAAWLEXGHZWUTA-RLFYNMQTSA-N 2 0 305.466 2.185 50 0 DEAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000170597524 355987894 /nfs/dbraw/zinc/98/78/94/355987894.db2.gz PYSVNDGGWCXRMX-SFHVURJKSA-N 3 0 317.477 2.332 50 0 DEAARP COCC[N@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccccc2C)C1 ZINC000091636276 193082656 /nfs/dbraw/zinc/08/26/56/193082656.db2.gz MNXFSFHIPLUXGR-MSOLQXFVSA-N 2 0 320.477 2.004 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000065407475 184339215 /nfs/dbraw/zinc/33/92/15/184339215.db2.gz XZSMGRAJKZFQOZ-UHFFFAOYSA-N 2 0 309.498 2.203 50 0 DEAARP COc1ccc(Cl)cc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037979101 401919049 /nfs/dbraw/zinc/91/90/49/401919049.db2.gz SJCCFOREZHAOCA-UHFFFAOYSA-N 2 0 311.857 2.076 50 0 DEAARP CC(C)(CNC(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000047911510 401990574 /nfs/dbraw/zinc/99/05/74/401990574.db2.gz YMFBFFWJERQGJR-UHFFFAOYSA-N 2 0 322.497 2.177 50 0 DEAARP CSCc1ccc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000069349949 402219679 /nfs/dbraw/zinc/21/96/79/402219679.db2.gz FHNDFFJGNIKZCP-ZDUSSCGKSA-N 2 0 312.479 2.325 50 0 DEAARP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000069489530 402226662 /nfs/dbraw/zinc/22/66/62/402226662.db2.gz DYDOXXJWBNPZGB-HOTGVXAUSA-N 2 0 303.450 2.403 50 0 DEAARP Fc1ccccc1N1CCC([N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)CC1 ZINC000426518413 405366304 /nfs/dbraw/zinc/36/63/04/405366304.db2.gz XBJSRSZORFGGKD-ZBFHGGJFSA-N 2 0 303.425 2.478 50 0 DEAARP Oc1ccc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000575316429 406806783 /nfs/dbraw/zinc/80/67/83/406806783.db2.gz VKULOERVMDSUPF-GOSISDBHSA-N 2 0 316.445 2.469 50 0 DEAARP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C[C@H]1COCCO1 ZINC001529112314 1070864521 /nfs/dbraw/zinc/86/45/21/1070864521.db2.gz KIFJNPSEPAQJJI-IBGZPJMESA-N 2 0 318.461 2.246 50 0 DEAARP CC[N@@H+]1CC[C@H](CN2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001506399781 1061939575 /nfs/dbraw/zinc/93/95/75/1061939575.db2.gz IQVRFQBIBWCRJQ-IBGZPJMESA-N 2 0 301.478 2.189 50 0 DEAARP c1cc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000245339496 356307682 /nfs/dbraw/zinc/30/76/82/356307682.db2.gz TZNLCWQNZVXJKX-KGLIPLIRSA-N 2 0 304.390 2.011 50 0 DEAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCO1 ZINC000253369837 356336391 /nfs/dbraw/zinc/33/63/91/356336391.db2.gz IQKZBDXEEZCGAL-NVXWUHKLSA-N 2 0 304.434 2.250 50 0 DEAARP CC[NH+]1CCC([NH2+]CCc2nc(Cc3ccccc3)no2)CC1 ZINC000670454595 540936573 /nfs/dbraw/zinc/93/65/73/540936573.db2.gz WWHKQPQMHHCQBG-UHFFFAOYSA-N 2 0 314.433 2.277 50 0 DEAARP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073580 401869910 /nfs/dbraw/zinc/86/99/10/401869910.db2.gz LZBROWLQSVWJMG-ZIAGYGMSSA-N 2 0 309.454 2.070 50 0 DEAARP CSCc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000069349950 402219364 /nfs/dbraw/zinc/21/93/64/402219364.db2.gz FHNDFFJGNIKZCP-CYBMUJFWSA-N 2 0 312.479 2.325 50 0 DEAARP CCc1oc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)cc1C[NH+](CC)CC ZINC000071771557 402277449 /nfs/dbraw/zinc/27/74/49/402277449.db2.gz XDEYUDBFVVYNPF-ZIAGYGMSSA-N 2 0 307.438 2.293 50 0 DEAARP CC[C@]1(O)CCC[N@H+](Cc2ccccc2OCC[NH+](C)C)C1 ZINC000215399328 402283091 /nfs/dbraw/zinc/28/30/91/402283091.db2.gz VWSWSERJRBVVDE-SFHVURJKSA-N 2 0 306.450 2.364 50 0 DEAARP c1cn(CCC[N@@H+](Cc2ccncc2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000216163694 402286497 /nfs/dbraw/zinc/28/64/97/402286497.db2.gz UVXYBJJKXHTIDO-GOSISDBHSA-N 2 0 313.449 2.170 50 0 DEAARP CC(C)[N@@H+]1CC[C@H](CN(C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882683 402450677 /nfs/dbraw/zinc/45/06/77/402450677.db2.gz XWNOBHGVHNSTPU-MRXNPFEDSA-N 2 0 303.450 2.312 50 0 DEAARP CCN(CCC[NH+]1CCCC1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000252492277 402655934 /nfs/dbraw/zinc/65/59/34/402655934.db2.gz MHDJTVSYGGLMMH-UHFFFAOYSA-N 2 0 324.513 2.236 50 0 DEAARP CC(C)C[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257187018 402701065 /nfs/dbraw/zinc/70/10/65/402701065.db2.gz LEMYCUWTCYFBDR-MRXNPFEDSA-N 2 0 319.497 2.238 50 0 DEAARP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2COCCO2)CCN1Cc1ccccc1 ZINC000450470721 405915655 /nfs/dbraw/zinc/91/56/55/405915655.db2.gz AVKMFOHVCWDLHR-NZSAHSFTSA-N 2 0 318.461 2.387 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000195554364 276019681 /nfs/dbraw/zinc/01/96/81/276019681.db2.gz LPYRQVFBPYIIHQ-WBVHZDCISA-N 2 0 309.498 2.473 50 0 DEAARP CC1(C)CC(O)(C2(O)CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000000198752 280913353 /nfs/dbraw/zinc/91/33/53/280913353.db2.gz IKHZFOJLDVTJDA-UHFFFAOYSA-N 2 0 312.498 2.330 50 0 DEAARP [NH3+][C@@H]1CCN(Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215149067 303470193 /nfs/dbraw/zinc/47/01/93/303470193.db2.gz AVPQVESUZZFIFK-QGZVFWFLSA-N 2 0 303.450 2.084 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000408519120 534164054 /nfs/dbraw/zinc/16/40/54/534164054.db2.gz WCHAOGAUGXNGNM-RKVPGOIHSA-N 2 0 307.482 2.227 50 0 DEAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000952980277 792846286 /nfs/dbraw/zinc/84/62/86/792846286.db2.gz JEHHNELFONCBLL-UHFFFAOYSA-N 2 0 302.447 2.349 50 0 DEAARP CCC[C@@H]1CN(c2cc(CC)[nH+]c(N(C)C)n2)C[C@H]1[NH+](C)C ZINC000095511669 185376137 /nfs/dbraw/zinc/37/61/37/185376137.db2.gz KZPWYRPIYOCCGF-UKRRQHHQSA-N 2 0 305.470 2.272 50 0 DEAARP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101752 355702353 /nfs/dbraw/zinc/70/23/53/355702353.db2.gz KXKQVNNSHDEDTM-DLBZAZTESA-N 2 0 309.498 2.094 50 0 DEAARP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000170597523 355988034 /nfs/dbraw/zinc/98/80/34/355988034.db2.gz PYSVNDGGWCXRMX-GOSISDBHSA-N 3 0 317.477 2.332 50 0 DEAARP C[C@]1(CO)CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@]1(C)CO ZINC000606442225 361008124 /nfs/dbraw/zinc/00/81/24/361008124.db2.gz HRGQDTNSUTYICD-BTFXCVNISA-N 2 0 310.482 2.016 50 0 DEAARP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000120191254 195116266 /nfs/dbraw/zinc/11/62/66/195116266.db2.gz LIAQUIGIEUFYSJ-INIZCTEOSA-N 2 0 300.450 2.279 50 0 DEAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2cccc(C)c2)CC1 ZINC000072667182 401711383 /nfs/dbraw/zinc/71/13/83/401711383.db2.gz RIBDIHMQTTXETK-MRXNPFEDSA-N 2 0 317.477 2.446 50 0 DEAARP OCC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012441598 401785664 /nfs/dbraw/zinc/78/56/64/401785664.db2.gz PZFWETXXVOQRLV-GOSISDBHSA-N 2 0 310.482 2.114 50 0 DEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CCC3)C2)CC1 ZINC000012752161 401791235 /nfs/dbraw/zinc/79/12/35/401791235.db2.gz QAKICANVQFAODI-HNNXBMFYSA-N 2 0 307.482 2.240 50 0 DEAARP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000078552971 401855627 /nfs/dbraw/zinc/85/56/27/401855627.db2.gz YFXGZBMQDASTTL-UHFFFAOYSA-N 2 0 311.420 2.328 50 0 DEAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCOC2)CC1 ZINC000095967703 402038298 /nfs/dbraw/zinc/03/82/98/402038298.db2.gz BJFQCHTWHAXRMT-ZBFHGGJFSA-N 2 0 321.440 2.407 50 0 DEAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000096477279 402093581 /nfs/dbraw/zinc/09/35/81/402093581.db2.gz GRPHIAPRPHTPOQ-CRAIPNDOSA-N 2 0 319.518 2.243 50 0 DEAARP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000153835092 402173509 /nfs/dbraw/zinc/17/35/09/402173509.db2.gz FJZIYWSKSMSQET-CHWSQXEVSA-N 2 0 315.417 2.317 50 0 DEAARP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC2=[NH+]CCN2)C1 ZINC000069350434 402219461 /nfs/dbraw/zinc/21/94/61/402219461.db2.gz CMIOSHLADUKYCN-GASCZTMLSA-N 2 0 300.450 2.213 50 0 DEAARP [NH3+][C@H]1C[C@@H](c2cc(N3CC[NH+](C4CCCCC4)CC3)ncn2)C1 ZINC000244724257 402448912 /nfs/dbraw/zinc/44/89/12/402448912.db2.gz MQSONOIQBVNIDI-GASCZTMLSA-N 2 0 315.465 2.136 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000269498432 403144127 /nfs/dbraw/zinc/14/41/27/403144127.db2.gz KWQDCMHAIUAIRC-XIRDDKMYSA-N 2 0 303.450 2.265 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000069415323 275046837 /nfs/dbraw/zinc/04/68/37/275046837.db2.gz UTVYRFFOZRASJB-UHFFFAOYSA-N 2 0 316.367 2.499 50 0 DEAARP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000252486314 563915932 /nfs/dbraw/zinc/91/59/32/563915932.db2.gz IHCMFRXCKNHPIP-ZWKOTPCHSA-N 2 0 315.461 2.252 50 0 DEAARP CCCCc1c(C)[nH+]c(N)nc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000095386087 684052858 /nfs/dbraw/zinc/05/28/58/684052858.db2.gz AXSOYMHIRPEBAY-KRWDZBQOSA-N 2 0 303.454 2.242 50 0 DEAARP COc1ccc(OCCC[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC001506403989 1061948486 /nfs/dbraw/zinc/94/84/86/1061948486.db2.gz AMRDMVGPSOPBEI-USTZCAOPSA-N 2 0 302.418 2.146 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299740439 529440554 /nfs/dbraw/zinc/44/05/54/529440554.db2.gz ZXDCBTPDACODDQ-XIRDDKMYSA-N 2 0 303.450 2.093 50 0 DEAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccncc1F)CC2 ZINC000169789849 355984118 /nfs/dbraw/zinc/98/41/18/355984118.db2.gz XHXPWCYCLSYOCI-OAHLLOKOSA-N 2 0 307.413 2.011 50 0 DEAARP C[C@@H]1SCC[C@@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000195573143 356258799 /nfs/dbraw/zinc/25/87/99/356258799.db2.gz HMNLOTXZTWPMAH-SZMVWBNQSA-N 2 0 319.518 2.459 50 0 DEAARP C[C@]([NH3+])(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261856381 203136544 /nfs/dbraw/zinc/13/65/44/203136544.db2.gz VWPHDTFMORTIEL-IMFGXOCKSA-N 2 0 323.440 2.061 50 0 DEAARP C[NH+]1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019889863 182160786 /nfs/dbraw/zinc/16/07/86/182160786.db2.gz NHOGMCBVRPZAFA-UHFFFAOYSA-N 2 0 301.478 2.331 50 0 DEAARP CC(C)=CC[N@@H+]1CCC[C@@H](CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000067679252 184479208 /nfs/dbraw/zinc/47/92/08/184479208.db2.gz OFFUATREBOUNOA-INIZCTEOSA-N 2 0 307.482 2.171 50 0 DEAARP CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)o2)CC1 ZINC000067724400 402169931 /nfs/dbraw/zinc/16/99/31/402169931.db2.gz QZOPLDGMJJEBHM-ZIAGYGMSSA-N 2 0 305.422 2.121 50 0 DEAARP C[C@]1(CO)CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@]1(C)CO ZINC000253416881 402664635 /nfs/dbraw/zinc/66/46/35/402664635.db2.gz HRGQDTNSUTYICD-HNGSOEQISA-N 2 0 310.482 2.016 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000408519456 403824047 /nfs/dbraw/zinc/82/40/47/403824047.db2.gz OTUKEWUNTSGFME-KRWDZBQOSA-N 2 0 311.539 2.230 50 0 DEAARP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC1CCCCCC1 ZINC000534633489 334308411 /nfs/dbraw/zinc/30/84/11/334308411.db2.gz KCVMIEOPVFJPBH-UHFFFAOYSA-N 2 0 307.482 2.291 50 0 DEAARP CCCCc1c(C)[nH+]c(N)nc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000095386088 684052977 /nfs/dbraw/zinc/05/29/77/684052977.db2.gz AXSOYMHIRPEBAY-QGZVFWFLSA-N 2 0 303.454 2.242 50 0 DEAARP CC(C)[NH+]1CCC(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000952970497 792826189 /nfs/dbraw/zinc/82/61/89/792826189.db2.gz VYCWPPMPTBABQV-UHFFFAOYSA-N 2 0 302.422 2.479 50 0 DEAARP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000952991175 792877382 /nfs/dbraw/zinc/87/73/82/792877382.db2.gz PNOBZODFQYHHNT-QGZVFWFLSA-N 2 0 306.450 2.452 50 0 DEAARP C[NH+]1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000081301669 355418328 /nfs/dbraw/zinc/41/83/28/355418328.db2.gz ZJKWOTSABSFCKL-UHFFFAOYSA-N 2 0 307.482 2.099 50 0 DEAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000169789863 355984844 /nfs/dbraw/zinc/98/48/44/355984844.db2.gz XMBMUHAHJLPLKQ-QGZVFWFLSA-N 2 0 318.461 2.485 50 0 DEAARP C[C@]1(CO)CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@@]1(C)CO ZINC000606442230 361008320 /nfs/dbraw/zinc/00/83/20/361008320.db2.gz HRGQDTNSUTYICD-UNWHRZBZSA-N 2 0 310.482 2.016 50 0 DEAARP C[NH+](C)CCC[NH2+]CCCNc1cc(=O)oc2ccccc12 ZINC000010313689 401769405 /nfs/dbraw/zinc/76/94/05/401769405.db2.gz FWRGDVBBGTYUHO-UHFFFAOYSA-N 2 0 303.406 2.136 50 0 biogenic DEAARP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422349 402032619 /nfs/dbraw/zinc/03/26/19/402032619.db2.gz QGYZQWRAOUWWKR-HOCLYGCPSA-N 2 0 309.498 2.091 50 0 DEAARP Cc1nn(C)c(C)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000067452815 402159986 /nfs/dbraw/zinc/15/99/86/402159986.db2.gz RYPJHTFLCBCDNL-KBPBESRZSA-N 2 0 308.470 2.016 50 0 DEAARP CC(C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067713554 402169958 /nfs/dbraw/zinc/16/99/58/402169958.db2.gz NBTVUHAZQMQCHD-AWEZNQCLSA-N 2 0 324.513 2.325 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237728912 402419380 /nfs/dbraw/zinc/41/93/80/402419380.db2.gz LZCSTPKYZLCGEY-RDJZCZTQSA-N 2 0 315.461 2.203 50 0 DEAARP Cc1c[nH+]ccc1NCC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000826588691 783653576 /nfs/dbraw/zinc/65/35/76/783653576.db2.gz WJVVYQMOTIZQBJ-MRXNPFEDSA-N 2 0 314.408 2.231 50 0 DEAARP [NH3+][C@H]1CN(C(=O)C[NH+]2CCCCCCC2)C[C@@H]1c1ccccc1 ZINC000091468590 539419362 /nfs/dbraw/zinc/41/93/62/539419362.db2.gz UTVLEODTPAEVQL-MSOLQXFVSA-N 2 0 315.461 2.206 50 0 DEAARP CCO[C@H]1C[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@@H]1O ZINC000222348652 539728677 /nfs/dbraw/zinc/72/86/77/539728677.db2.gz IHMWDOUHBWDSTE-IRXDYDNUSA-N 2 0 324.490 2.316 50 0 DEAARP C[N@@H+]1CCCN(C(=O)c2ccc(C[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000072133295 191045130 /nfs/dbraw/zinc/04/51/30/191045130.db2.gz FHUHSLYIGVHFRY-QGZVFWFLSA-N 2 0 315.461 2.006 50 0 DEAARP C[NH+](C)C1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252487320 539784573 /nfs/dbraw/zinc/78/45/73/539784573.db2.gz VLFKBJYQSRUVMU-AEFFLSMTSA-N 3 0 322.541 2.007 50 0 DEAARP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000670446593 540934542 /nfs/dbraw/zinc/93/45/42/540934542.db2.gz FIQLGTPTKJTVTH-XYYAHUGASA-N 2 0 314.355 2.043 50 0 DEAARP CCOC(=O)N1CCC([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000670453114 540935463 /nfs/dbraw/zinc/93/54/63/540935463.db2.gz JEHBCEJNXLMZSG-ZDUSSCGKSA-N 2 0 306.410 2.210 50 0 DEAARP COc1ccc(CN(CC[NH3+])[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000022920747 182340841 /nfs/dbraw/zinc/34/08/41/182340841.db2.gz UAAWLEXGHZWUTA-HDMKZQKVSA-N 2 0 305.466 2.185 50 0 DEAARP CCC[NH+](CCC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000065500344 184355399 /nfs/dbraw/zinc/35/53/99/184355399.db2.gz PQOQYEFORNXCTB-QGZVFWFLSA-N 2 0 303.450 2.400 50 0 DEAARP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000071885911 401692321 /nfs/dbraw/zinc/69/23/21/401692321.db2.gz PJJNPRIFTKWAHA-UHFFFAOYSA-N 2 0 324.513 2.280 50 0 DEAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccoc1)CC2 ZINC000095356767 402026861 /nfs/dbraw/zinc/02/68/61/402026861.db2.gz CLWCTADGKJZCGB-UHFFFAOYSA-N 2 0 319.449 2.046 50 0 DEAARP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422347 402032534 /nfs/dbraw/zinc/03/25/34/402032534.db2.gz QGYZQWRAOUWWKR-ZBFHGGJFSA-N 2 0 309.498 2.091 50 0 DEAARP CCCCOc1ccc(CN2CCN3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000215723317 402285015 /nfs/dbraw/zinc/28/50/15/402285015.db2.gz ACHYXNPEYMPQRN-GOSISDBHSA-N 2 0 317.477 2.297 50 0 DEAARP C[N@@H+](Cc1cccc2[nH]ccc21)CC1CC[NH+](CCO)CC1 ZINC000215963741 402285830 /nfs/dbraw/zinc/28/58/30/402285830.db2.gz VKOYQVYVKOKUSE-UHFFFAOYSA-N 2 0 301.434 2.304 50 0 DEAARP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244787614 402449358 /nfs/dbraw/zinc/44/93/58/402449358.db2.gz QAIALUKLFCIEIO-LJQANCHMSA-N 2 0 313.489 2.256 50 0 DEAARP COc1ccc(NC(=O)CN(C)C[C@@H]2CC[N@H+](C)C2(C)C)cc1 ZINC000244884075 402450653 /nfs/dbraw/zinc/45/06/53/402450653.db2.gz YETOIZYYTAWZDD-AWEZNQCLSA-N 2 0 319.449 2.296 50 0 DEAARP Cn1ccnc1CCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000244874433 402451150 /nfs/dbraw/zinc/45/11/50/402451150.db2.gz XBDQZILIMYKSCQ-AWEZNQCLSA-N 2 0 301.390 2.125 50 0 DEAARP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000239667468 281358286 /nfs/dbraw/zinc/35/82/86/281358286.db2.gz BQGXPVQEKIGHRH-CQNRTFJUSA-N 2 0 300.512 2.386 50 0 DEAARP [NH3+][C@H]1CCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C1 ZINC000215970206 295340333 /nfs/dbraw/zinc/34/03/33/295340333.db2.gz BVFXLUJFGPLTHQ-SFHVURJKSA-N 2 0 317.477 2.474 50 0 DEAARP Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000581807789 784786176 /nfs/dbraw/zinc/78/61/76/784786176.db2.gz NZNIXJQMMQZAGL-INIZCTEOSA-N 2 0 304.438 2.149 50 0 DEAARP [NH3+][C@H]1CCC[C@@H](C[NH+]2CCC(CNC(=O)C3CCC3)CC2)C1 ZINC000952974602 792836294 /nfs/dbraw/zinc/83/62/94/792836294.db2.gz UNDYRLXQWWRJKW-WBVHZDCISA-N 2 0 307.482 2.132 50 0 DEAARP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090061773 185280059 /nfs/dbraw/zinc/28/00/59/185280059.db2.gz MCQGHMBTQUPYTM-SOUVJXGZSA-N 2 0 307.438 2.026 50 0 DEAARP CC(C)[C@H]1CN(C(=O)CC[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071760115 191026315 /nfs/dbraw/zinc/02/63/15/191026315.db2.gz ITEXZAGHDVGHTR-QGZVFWFLSA-N 2 0 321.440 2.233 50 0 DEAARP C[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000169750479 355979671 /nfs/dbraw/zinc/97/96/71/355979671.db2.gz JPWLFIWZLWTLPW-QGZVFWFLSA-N 2 0 313.445 2.304 50 0 DEAARP CCc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3CO)CC2)cc1 ZINC000169783985 355982874 /nfs/dbraw/zinc/98/28/74/355982874.db2.gz RLJAQCMBWVCEHA-GOSISDBHSA-N 2 0 302.462 2.385 50 0 DEAARP CCc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3CO)CC2)cc1 ZINC000169783986 355983280 /nfs/dbraw/zinc/98/32/80/355983280.db2.gz RLJAQCMBWVCEHA-SFHVURJKSA-N 2 0 302.462 2.385 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237728308 202340561 /nfs/dbraw/zinc/34/05/61/202340561.db2.gz LZCSTPKYZLCGEY-WBVHZDCISA-N 2 0 315.461 2.203 50 0 DEAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020102801 182187133 /nfs/dbraw/zinc/18/71/33/182187133.db2.gz GEAVCCRRMKUMFM-UHFFFAOYSA-N 2 0 321.440 2.106 50 0 DEAARP COc1ccc(CN(CC[NH3+])[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000022579147 401827028 /nfs/dbraw/zinc/82/70/28/401827028.db2.gz UAAWLEXGHZWUTA-RVKKMQEKSA-N 2 0 305.466 2.185 50 0 DEAARP Cc1cccc(=O)n1CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484336 402094750 /nfs/dbraw/zinc/09/47/50/402094750.db2.gz MJHQVDUIAVCTIA-DLBZAZTESA-N 2 0 303.450 2.153 50 0 DEAARP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCCn3ccnc3)cc2)CC1 ZINC000097743150 402131991 /nfs/dbraw/zinc/13/19/91/402131991.db2.gz CBRUTJOETTWURT-KRWDZBQOSA-N 2 0 314.433 2.275 50 0 DEAARP C1OC[C@H](N2CCCCC2)[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067755821 402172040 /nfs/dbraw/zinc/17/20/40/402172040.db2.gz CASJVZWXSQNMCG-ROUUACIJSA-N 2 0 321.509 2.142 50 0 DEAARP CC1CC[NH+](Cc2ccccc2CNC(=O)C[NH2+]C2CC2)CC1 ZINC000154623059 402222132 /nfs/dbraw/zinc/22/21/32/402222132.db2.gz YWQSKYDXVYYSQM-UHFFFAOYSA-N 2 0 315.461 2.287 50 0 DEAARP Cn1ccnc1CCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000244874434 402450922 /nfs/dbraw/zinc/45/09/22/402450922.db2.gz XBDQZILIMYKSCQ-CQSZACIVSA-N 2 0 301.390 2.125 50 0 DEAARP CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192744027 402747393 /nfs/dbraw/zinc/74/73/93/402747393.db2.gz CHESMUBNGVMFBO-ROUUACIJSA-N 2 0 311.514 2.028 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269268323 403126650 /nfs/dbraw/zinc/12/66/50/403126650.db2.gz QRRWXWAACIJVDL-UAGQMJEPSA-N 2 0 303.450 2.235 50 0 DEAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089595013 288103117 /nfs/dbraw/zinc/10/31/17/288103117.db2.gz VCASDZHAFUFHEY-FGTMMUONSA-N 2 0 323.525 2.340 50 0 DEAARP Cn1c(C[NH2+]CC2(C)CC[NH+](C)CC2)cnc1Br ZINC000585118269 789704780 /nfs/dbraw/zinc/70/47/80/789704780.db2.gz IQHYURJCOVUGHK-UHFFFAOYSA-N 2 0 315.259 2.004 50 0 DEAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCO1 ZINC000195568954 356258111 /nfs/dbraw/zinc/25/81/11/356258111.db2.gz IQKZBDXEEZCGAL-WBVHZDCISA-N 2 0 304.434 2.250 50 0 DEAARP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564690 202285004 /nfs/dbraw/zinc/28/50/04/202285004.db2.gz RYTMEIJXRIKBHL-QAPCUYQASA-N 2 0 315.461 2.250 50 0 DEAARP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237582823 202291854 /nfs/dbraw/zinc/29/18/54/202291854.db2.gz HUJGRTKIOVSDRZ-GOEBONIOSA-N 2 0 303.450 2.235 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237728271 202339373 /nfs/dbraw/zinc/33/93/73/202339373.db2.gz LZCSTPKYZLCGEY-NVXWUHKLSA-N 2 0 315.461 2.203 50 0 DEAARP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237671859 202326064 /nfs/dbraw/zinc/32/60/64/202326064.db2.gz OPCQVHPGJXTIQO-DOTOQJQBSA-N 2 0 315.461 2.144 50 0 DEAARP Cc1ccc([C@H](C)CC[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)o1 ZINC000670434984 540932605 /nfs/dbraw/zinc/93/26/05/540932605.db2.gz WWBXSYXSXGDKOO-OAHLLOKOSA-N 2 0 321.465 2.178 50 0 DEAARP Cc1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091859034 193119044 /nfs/dbraw/zinc/11/90/44/193119044.db2.gz QJXMLYIJQZWQII-INIZCTEOSA-N 2 0 311.433 2.326 50 0 DEAARP O=C(NCC12CCC[NH+]1CCC2)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072153884 401703398 /nfs/dbraw/zinc/70/33/98/401703398.db2.gz SFXBAULGTRVHLF-OAHLLOKOSA-N 2 0 313.445 2.122 50 0 DEAARP CC(C)C[N@@H+]1C[C@@H](C[NH+]2CCCC2)C[C@@H](C(=O)N2CCCC2)C1 ZINC000014537935 401812096 /nfs/dbraw/zinc/81/20/96/401812096.db2.gz YXFXTSWBUUGFEX-QZTJIDSGSA-N 2 0 321.509 2.299 50 0 DEAARP CC(C)=CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000096424694 402083731 /nfs/dbraw/zinc/08/37/31/402083731.db2.gz ZWGNTKWZUOXDHZ-UHFFFAOYSA-N 2 0 309.498 2.369 50 0 DEAARP Cc1cccn2c(CN3CCS[C@@H]4COCC[C@H]43)cnc12 ZINC000230181797 402348736 /nfs/dbraw/zinc/34/87/36/402348736.db2.gz DFSYIMBNOAVPEW-HUUCEWRRSA-N 2 0 303.431 2.349 50 0 DEAARP CC[N@@H+]1CC[C@H](N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000252587282 402659048 /nfs/dbraw/zinc/65/90/48/402659048.db2.gz WZGOYEPMPBYMMJ-NBMRYCAZSA-N 2 0 305.441 2.283 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000269222602 287276319 /nfs/dbraw/zinc/27/63/19/287276319.db2.gz APJKFNJQYRQZTQ-WBVHZDCISA-N 2 0 315.461 2.287 50 0 DEAARP C[NH+](C)CCOc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000244764015 225217868 /nfs/dbraw/zinc/21/78/68/225217868.db2.gz OZUGZFRWNLKPFG-SFHVURJKSA-N 2 0 317.477 2.297 50 0 DEAARP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCOC2)CC1 ZINC000095967702 276203074 /nfs/dbraw/zinc/20/30/74/276203074.db2.gz BJFQCHTWHAXRMT-GOEBONIOSA-N 2 0 321.440 2.407 50 0 DEAARP C[C@@H]1C[NH2+]CCN1Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000215528943 288319800 /nfs/dbraw/zinc/31/98/00/288319800.db2.gz QVFAINRCJYAUIW-QGZVFWFLSA-N 2 0 317.477 2.345 50 0 DEAARP O=C(CC1CC[NH2+]CC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534583279 334289897 /nfs/dbraw/zinc/28/98/97/334289897.db2.gz GSCZZEBCOZIDGM-UHFFFAOYSA-N 2 0 307.482 2.243 50 0 DEAARP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000055133219 646413917 /nfs/dbraw/zinc/41/39/17/646413917.db2.gz NRUUTUBAMUMRNS-INIZCTEOSA-N 2 0 319.449 2.044 50 0 DEAARP CCC[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC000089949405 185271173 /nfs/dbraw/zinc/27/11/73/185271173.db2.gz PLQHQRGYGJUPOC-KRWDZBQOSA-N 2 0 309.498 2.441 50 0 DEAARP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3cccc(O)c3)CC2)[C@H]1O ZINC000072169974 191068368 /nfs/dbraw/zinc/06/83/68/191068368.db2.gz RXBZGLXCBQXRBC-MOPGFXCFSA-N 2 0 324.424 2.300 50 0 DEAARP C[NH+]1CCN(C[C@H]([NH2+]C[C@H]2CCSC2)c2ccccc2)CC1 ZINC000225609977 186283076 /nfs/dbraw/zinc/28/30/76/186283076.db2.gz HSUPOHPTAUHCSZ-AEFFLSMTSA-N 2 0 319.518 2.318 50 0 DEAARP Cc1ccccc1[C@@H](C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000072286505 354899681 /nfs/dbraw/zinc/89/96/81/354899681.db2.gz UBOYEDJWLKIBKQ-KRWDZBQOSA-N 2 0 319.493 2.440 50 0 DEAARP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101754 355702467 /nfs/dbraw/zinc/70/24/67/355702467.db2.gz KXKQVNNSHDEDTM-IAGOWNOFSA-N 2 0 309.498 2.094 50 0 DEAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1scnc1C)CC2 ZINC000169789842 355983354 /nfs/dbraw/zinc/98/33/54/355983354.db2.gz WJTKFHUJLDSSCO-AWEZNQCLSA-N 2 0 309.479 2.242 50 0 DEAARP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000194884675 356246473 /nfs/dbraw/zinc/24/64/73/356246473.db2.gz CMRBIFUJNTUGED-YJBOKZPZSA-N 2 0 317.477 2.298 50 0 DEAARP C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057139577 184027937 /nfs/dbraw/zinc/02/79/37/184027937.db2.gz AOGGNWAQWFNOGZ-UHFFFAOYSA-N 2 0 315.461 2.109 50 0 DEAARP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000089374771 401943783 /nfs/dbraw/zinc/94/37/83/401943783.db2.gz IYYDWUDGCMVAKM-MQVJKMGUSA-N 2 0 304.434 2.461 50 0 DEAARP C[NH+]1CCC(C[N@@H+]2CC[C@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC000067756868 402171739 /nfs/dbraw/zinc/17/17/39/402171739.db2.gz XJYDHDVTJMARBG-QGZVFWFLSA-N 2 0 321.509 2.347 50 0 DEAARP CCCC(=O)N1CCC([NH+]2CCC3(CC[N@H+](C)C3)CC2)CC1 ZINC000067788136 402172395 /nfs/dbraw/zinc/17/23/95/402172395.db2.gz HAOLXCKUIRQHCE-UHFFFAOYSA-N 2 0 307.482 2.195 50 0 DEAARP COc1ccccc1/C=C/C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069329090 402218334 /nfs/dbraw/zinc/21/83/34/402218334.db2.gz PESDZANIRYJIFG-YERXGYGTSA-N 2 0 318.461 2.391 50 0 DEAARP CC[C@H](C(N)=O)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000069871662 402248314 /nfs/dbraw/zinc/24/83/14/402248314.db2.gz BHCDPBRUFLRYSG-QGZVFWFLSA-N 2 0 317.477 2.484 50 0 DEAARP [NH3+][C@@H]1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000215958455 402285799 /nfs/dbraw/zinc/28/57/99/402285799.db2.gz OZLUAUAVAUDDOD-QGZVFWFLSA-N 3 0 303.450 2.084 50 0 DEAARP CO[C@]12CC[N@H+](Cc3cc(C[NH+](C)C)cs3)[C@H]1C[C@@H](O)CC2 ZINC000299782222 403573011 /nfs/dbraw/zinc/57/30/11/403573011.db2.gz VHNXDTCIHHZASP-BHYGNILZSA-N 2 0 324.490 2.314 50 0 DEAARP [NH3+][C@H]1CC[C@@H](C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)CC1 ZINC000243892729 225216328 /nfs/dbraw/zinc/21/63/28/225216328.db2.gz AKCAVXFYWLJJOW-HHXXYDBFSA-N 2 0 314.473 2.455 50 0 DEAARP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCn1cncn1 ZINC000107586696 424850454 /nfs/dbraw/zinc/85/04/54/424850454.db2.gz DOQUFZIYIPCDAU-FUHWJXTLSA-N 2 0 313.449 2.121 50 0 DEAARP OCC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012441596 275046618 /nfs/dbraw/zinc/04/66/18/275046618.db2.gz PZFWETXXVOQRLV-SFHVURJKSA-N 2 0 310.482 2.114 50 0 DEAARP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000179009717 277279636 /nfs/dbraw/zinc/27/96/36/277279636.db2.gz CQCZOFGVXAWFNA-ZWKOTPCHSA-N 2 0 315.461 2.109 50 0 DEAARP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000241338635 534438600 /nfs/dbraw/zinc/43/86/00/534438600.db2.gz MCQGHMBTQUPYTM-QLFBSQMISA-N 2 0 307.438 2.026 50 0 DEAARP OCC[N@@H+]1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000072158393 683927605 /nfs/dbraw/zinc/92/76/05/683927605.db2.gz RCRIYLJPMMCMBJ-OAHLLOKOSA-N 2 0 324.415 2.491 50 0 DEAARP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422350 185360999 /nfs/dbraw/zinc/36/09/99/185360999.db2.gz QGYZQWRAOUWWKR-GOEBONIOSA-N 2 0 309.498 2.091 50 0 DEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785353 181151564 /nfs/dbraw/zinc/15/15/64/181151564.db2.gz YPTJQGIRFIIISJ-RKVPGOIHSA-N 2 0 306.450 2.266 50 0 DEAARP CCOc1cccc(C[NH+]2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)c1 ZINC000169789008 355984169 /nfs/dbraw/zinc/98/41/69/355984169.db2.gz ISWFGVAWHGKLIS-HKUYNNGSSA-N 2 0 318.461 2.125 50 0 DEAARP Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCC[NH+](C)C)c12 ZINC000005322583 181229600 /nfs/dbraw/zinc/22/96/00/181229600.db2.gz JROCKVHYORKNFB-UHFFFAOYSA-N 2 0 310.405 2.406 50 0 DEAARP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCO1 ZINC000253369836 356336333 /nfs/dbraw/zinc/33/63/33/356336333.db2.gz IQKZBDXEEZCGAL-DOTOQJQBSA-N 2 0 304.434 2.250 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000065405234 184338095 /nfs/dbraw/zinc/33/80/95/184338095.db2.gz VSCXVZWFXIGFQU-MRXNPFEDSA-N 2 0 309.498 2.203 50 0 DEAARP CNC(=O)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000074229904 257253817 /nfs/dbraw/zinc/25/38/17/257253817.db2.gz WOBPUIVMYPSNPP-UHFFFAOYSA-N 2 0 303.450 2.445 50 0 DEAARP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000262771767 145304168 /nfs/dbraw/zinc/30/41/68/145304168.db2.gz HZAQMXMRRLZVJZ-INIZCTEOSA-N 2 0 301.390 2.292 50 0 DEAARP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000096477160 402093650 /nfs/dbraw/zinc/09/36/50/402093650.db2.gz JIHXQKQUIAKBMR-HNNXBMFYSA-N 2 0 319.449 2.094 50 0 DEAARP CC[NH+]1CCC(CC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000096478573 402094203 /nfs/dbraw/zinc/09/42/03/402094203.db2.gz JYFNPQDICVUVHP-UHFFFAOYSA-N 2 0 303.441 2.428 50 0 DEAARP CC[N@@H+]1CCC[C@H]1CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067674266 402167221 /nfs/dbraw/zinc/16/72/21/402167221.db2.gz UUCAQIYSGDHTEV-HNNXBMFYSA-N 2 0 303.454 2.148 50 0 DEAARP Cc1cccc(=O)n1CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000241368006 402443695 /nfs/dbraw/zinc/44/36/95/402443695.db2.gz MJHQVDUIAVCTIA-SJORKVTESA-N 2 0 303.450 2.153 50 0 DEAARP NC(=O)[C@@H]1CCC[N@H+](CCCNCc2sccc2Cl)C1 ZINC000252498146 402656719 /nfs/dbraw/zinc/65/67/19/402656719.db2.gz QVFANENQOPEPDC-LLVKDONJSA-N 2 0 315.870 2.079 50 0 DEAARP Oc1ccc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000575316430 406806559 /nfs/dbraw/zinc/80/65/59/406806559.db2.gz VKULOERVMDSUPF-SFHVURJKSA-N 2 0 316.445 2.469 50 0 DEAARP COC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccnn1C ZINC000067770429 293146426 /nfs/dbraw/zinc/14/64/26/293146426.db2.gz WBIVZXAQUYFTPB-HNNXBMFYSA-N 2 0 306.454 2.010 50 0 DEAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000241897180 298618970 /nfs/dbraw/zinc/61/89/70/298618970.db2.gz TWINCWVESVIWMJ-MGPQQGTHSA-N 2 0 307.404 2.333 50 0 DEAARP C[NH+](C)CC1(O)CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000864090950 686617254 /nfs/dbraw/zinc/61/72/54/686617254.db2.gz GWCUZXPTWMXLMG-UHFFFAOYSA-N 2 0 312.404 2.286 50 0 DEAARP Cc1cc(C)n(C[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC001506398074 1061936494 /nfs/dbraw/zinc/93/64/94/1061936494.db2.gz JIRZGJSQGFZIGF-QGZVFWFLSA-N 2 0 313.449 2.414 50 0 DEAARP c1ccc(N2CC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001506416216 1061959806 /nfs/dbraw/zinc/95/98/06/1061959806.db2.gz VIIVWZWYERPKLG-LJQANCHMSA-N 2 0 308.429 2.483 50 0 DEAARP CC[N@@H+]1CCC[C@H](CN2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000670457321 540936214 /nfs/dbraw/zinc/93/62/14/540936214.db2.gz VPIPLENMYNWEOI-SFHVURJKSA-N 2 0 317.477 2.242 50 0 DEAARP O=c1cc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)nc[nH]1 ZINC000253535015 202894802 /nfs/dbraw/zinc/89/48/02/202894802.db2.gz DIEVCBUNHPSIBP-OTVXOJSOSA-N 2 0 316.449 2.425 50 0 DEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000015855929 182021558 /nfs/dbraw/zinc/02/15/58/182021558.db2.gz XPXUBMNAJIJGLH-UHFFFAOYSA-N 2 0 321.465 2.258 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)[C@H](C)C1 ZINC000262665962 257237774 /nfs/dbraw/zinc/23/77/74/257237774.db2.gz JVFQGIOSLSSAAS-UXLLHSPISA-N 2 0 309.498 2.201 50 0 DEAARP COCC[N@H+](C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011997963 401778259 /nfs/dbraw/zinc/77/82/59/401778259.db2.gz AAXJUIJGMLYDIU-UHFFFAOYSA-N 2 0 306.450 2.485 50 0 DEAARP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000089930307 401974410 /nfs/dbraw/zinc/97/44/10/401974410.db2.gz BKADSUXQNCKAFZ-JZXOWHBKSA-N 2 0 310.482 2.234 50 0 DEAARP c1ccc2c(c1)CC(N1CCC[N@@H+](CC3CC[NH2+]CC3)CC1)C2 ZINC000067955471 402180638 /nfs/dbraw/zinc/18/06/38/402180638.db2.gz KUMZYZNTGJQUPX-UHFFFAOYSA-N 2 0 313.489 2.161 50 0 DEAARP CC(C)NC(=O)NC[C@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067713555 402169747 /nfs/dbraw/zinc/16/97/47/402169747.db2.gz NBTVUHAZQMQCHD-CQSZACIVSA-N 2 0 324.513 2.325 50 0 DEAARP [NH3+][C@H]1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000215958407 402285821 /nfs/dbraw/zinc/28/58/21/402285821.db2.gz OZLUAUAVAUDDOD-KRWDZBQOSA-N 3 0 303.450 2.084 50 0 DEAARP C[N@@H+]1CCN2CCN(Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC000216006661 402286338 /nfs/dbraw/zinc/28/63/38/402286338.db2.gz PPKIQSUJVKUUPN-HNNXBMFYSA-N 2 0 301.459 2.333 50 0 DEAARP CCC1=NO[C@@H](C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC000244874234 402450946 /nfs/dbraw/zinc/45/09/46/402450946.db2.gz WWZHUUSBLXTPKG-QGZVFWFLSA-N 2 0 302.422 2.457 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269250900 403125354 /nfs/dbraw/zinc/12/53/54/403125354.db2.gz HAMNLXZONDXTFR-CIRFHOKZSA-N 2 0 317.477 2.339 50 0 DEAARP C[C@@H]([NH2+]CC1(C)OCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272832785 278340169 /nfs/dbraw/zinc/34/01/69/278340169.db2.gz QGAFZECMVJBOEF-NVXWUHKLSA-N 2 0 304.434 2.250 50 0 DEAARP CC(C)C[NH+]1CCC([NH2+]C[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000067678962 278869591 /nfs/dbraw/zinc/86/95/91/278869591.db2.gz LVUCOKDIBKSKEF-MRXNPFEDSA-N 2 0 321.509 2.488 50 0 DEAARP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000089930309 288156831 /nfs/dbraw/zinc/15/68/31/288156831.db2.gz BKADSUXQNCKAFZ-NUJGCVRESA-N 2 0 310.482 2.234 50 0 DEAARP Cc1cc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC001506422861 1061967764 /nfs/dbraw/zinc/96/77/64/1061967764.db2.gz AMDIAZWIJIKMKW-ROUUACIJSA-N 2 0 315.392 2.328 50 0 DEAARP COc1ccccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000002489729 180927060 /nfs/dbraw/zinc/92/70/60/180927060.db2.gz ZJBWXZYKNHTHPM-UHFFFAOYSA-N 2 0 307.482 2.401 50 0 DEAARP CN1CC[N@H+](C)C[C@@H]1CC[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000020867359 354047166 /nfs/dbraw/zinc/04/71/66/354047166.db2.gz CWUVXNOWKCDEGI-AEFFLSMTSA-N 2 0 305.441 2.251 50 0 DEAARP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)CN1CC[NH+](C)CC1 ZINC000189318922 200381499 /nfs/dbraw/zinc/38/14/99/200381499.db2.gz PWZPGNUHPAGSLI-ZDUSSCGKSA-N 2 0 313.848 2.452 50 0 DEAARP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC)c1OC ZINC000019336703 182116781 /nfs/dbraw/zinc/11/67/81/182116781.db2.gz BOSBDAYHMOLXBX-UHFFFAOYSA-N 2 0 322.449 2.486 50 0 DEAARP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc(OC)cc2C)C1 ZINC000216145439 402286720 /nfs/dbraw/zinc/28/67/20/402286720.db2.gz OQEISAFSXJNNPY-INIZCTEOSA-N 2 0 306.450 2.404 50 0 DEAARP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2COCCO2)CCN1Cc1ccccc1 ZINC000450470717 405914295 /nfs/dbraw/zinc/91/42/95/405914295.db2.gz AVKMFOHVCWDLHR-BHIYHBOVSA-N 2 0 318.461 2.387 50 0 DEAARP CN1CCC[C@]2(CC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1=O ZINC000067974611 290004123 /nfs/dbraw/zinc/00/41/23/290004123.db2.gz UOEIXEPQMUHDFP-LJQANCHMSA-N 2 0 319.493 2.243 50 0 DEAARP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000134114296 522382139 /nfs/dbraw/zinc/38/21/39/522382139.db2.gz KYMKTDUVUFJEAD-QGZVFWFLSA-N 2 0 301.434 2.106 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C(C)(C)C)C1 ZINC000952845095 792774820 /nfs/dbraw/zinc/77/48/20/792774820.db2.gz PXDYQABZFYKPJG-PMPSAXMXSA-N 2 0 309.498 2.473 50 0 DEAARP C[NH+](C)CC[C@@H]1CCCCN1C(=O)C[NH2+]Cc1ccccc1 ZINC000072454341 191171084 /nfs/dbraw/zinc/17/10/84/191171084.db2.gz MRDREJPAUREMHK-KRWDZBQOSA-N 2 0 303.450 2.109 50 0 DEAARP C[C@@H](C1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+]1CCOCC1 ZINC000072473641 191174982 /nfs/dbraw/zinc/17/49/82/191174982.db2.gz QWSKIDYNMAWGSU-HNNXBMFYSA-N 2 0 304.434 2.325 50 0 DEAARP Cc1cccc(C)c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091486815 193062892 /nfs/dbraw/zinc/06/28/92/193062892.db2.gz OQLGUVQMHSYBMI-QZTJIDSGSA-N 2 0 302.462 2.440 50 0 DEAARP CC[C@@H]1Oc2ccc([C@H](C)[NH3+])cc2N(CCC[NH+](C)C)C1=O ZINC000033502597 401891318 /nfs/dbraw/zinc/89/13/18/401891318.db2.gz CWJLRYRXRQNQBL-WFASDCNBSA-N 2 0 305.422 2.162 50 0 DEAARP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000095968943 402038459 /nfs/dbraw/zinc/03/84/59/402038459.db2.gz HMYGFWJZYOUHTE-SFHVURJKSA-N 2 0 305.441 2.429 50 0 DEAARP c1cc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000096484322 402094421 /nfs/dbraw/zinc/09/44/21/402094421.db2.gz TZNLCWQNZVXJKX-UONOGXRCSA-N 2 0 304.390 2.011 50 0 DEAARP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000096499766 402097057 /nfs/dbraw/zinc/09/70/57/402097057.db2.gz IHCMFRXCKNHPIP-MSOLQXFVSA-N 2 0 315.461 2.252 50 0 DEAARP Cc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000069971719 402253580 /nfs/dbraw/zinc/25/35/80/402253580.db2.gz QTDKREOQMRQLRT-UHFFFAOYSA-N 2 0 301.478 2.454 50 0 DEAARP CC[C@@]1(O)CCC[N@H+](Cc2ccccc2OCC[NH+](C)C)C1 ZINC000215399376 402283332 /nfs/dbraw/zinc/28/33/32/402283332.db2.gz VWSWSERJRBVVDE-GOSISDBHSA-N 2 0 306.450 2.364 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000237682529 402417961 /nfs/dbraw/zinc/41/79/61/402417961.db2.gz ILGHNEHEIMEILG-CVEARBPZSA-N 2 0 307.482 2.099 50 0 DEAARP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000265901522 402960496 /nfs/dbraw/zinc/96/04/96/402960496.db2.gz VDQJEGBWWYRGJX-AEFFLSMTSA-N 2 0 315.461 2.204 50 0 DEAARP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426541740 405367866 /nfs/dbraw/zinc/36/78/66/405367866.db2.gz XBJWDJKFOSWYOV-UHFFFAOYSA-N 2 0 314.355 2.379 50 0 DEAARP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000585121253 405872637 /nfs/dbraw/zinc/87/26/37/405872637.db2.gz KCUHULZTYZKEGF-JKSUJKDBSA-N 2 0 303.450 2.060 50 0 DEAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CSCCc2ccccc21 ZINC000096477283 279313355 /nfs/dbraw/zinc/31/33/55/279313355.db2.gz GRPHIAPRPHTPOQ-QAPCUYQASA-N 2 0 319.518 2.243 50 0 DEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]C2CC2)cc1OC ZINC000011842429 636002278 /nfs/dbraw/zinc/00/22/78/636002278.db2.gz DHBWZYVBUUWDMT-INIZCTEOSA-N 2 0 322.449 2.029 50 0 DEAARP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H]2CCSC2)c2ccccc2)CC1 ZINC000225610023 186283312 /nfs/dbraw/zinc/28/33/12/186283312.db2.gz HSUPOHPTAUHCSZ-WMZOPIPTSA-N 2 0 319.518 2.318 50 0 DEAARP Cc1ccc(OCCC[N@@H+](C)C[C@]2(O)CCC[NH2+]C2)c(C)c1 ZINC000072432955 191164490 /nfs/dbraw/zinc/16/44/90/191164490.db2.gz TWBCTGQLZNJGKD-SFHVURJKSA-N 2 0 306.450 2.119 50 0 DEAARP O[C@]1(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)CCC[NH2+]C1 ZINC000072478365 191179581 /nfs/dbraw/zinc/17/95/81/191179581.db2.gz BFTGUQNHRSMGLX-GOSISDBHSA-N 2 0 306.425 2.342 50 0 DEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccoc1)CC[NH+](C)CC2 ZINC000072477376 191179898 /nfs/dbraw/zinc/17/98/98/191179898.db2.gz KFQDAXPEDVDRNL-INIZCTEOSA-N 2 0 319.449 2.092 50 0 DEAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000169789862 355984427 /nfs/dbraw/zinc/98/44/27/355984427.db2.gz XMBMUHAHJLPLKQ-KRWDZBQOSA-N 2 0 318.461 2.485 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000236905392 202062964 /nfs/dbraw/zinc/06/29/64/202062964.db2.gz KWQDCMHAIUAIRC-UAGQMJEPSA-N 2 0 303.450 2.265 50 0 DEAARP O=[N+](NOCCON[N+](=O)c1ccccc1)c1ccccc1 ZINC000584904304 357332250 /nfs/dbraw/zinc/33/22/50/357332250.db2.gz HMKXFIHSFLYTBG-UHFFFAOYSA-N 2 0 304.306 2.080 50 0 DEAARP CCC[NH+](CCC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000065500348 184355307 /nfs/dbraw/zinc/35/53/07/184355307.db2.gz PQOQYEFORNXCTB-KRWDZBQOSA-N 2 0 303.450 2.400 50 0 DEAARP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CCC[NH+](C)C1 ZINC000089761678 401961452 /nfs/dbraw/zinc/96/14/52/401961452.db2.gz PKTGDXMTAVJKAB-QGZVFWFLSA-N 2 0 317.477 2.355 50 0 DEAARP C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000095966295 402037719 /nfs/dbraw/zinc/03/77/19/402037719.db2.gz IPCUIUVGQKRVHP-LSDHHAIUSA-N 2 0 321.440 2.265 50 0 DEAARP OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055228044 402078558 /nfs/dbraw/zinc/07/85/58/402078558.db2.gz AHUNKORMRBFFLS-IPMKNSEASA-N 2 0 302.462 2.444 50 0 DEAARP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000107510727 402234633 /nfs/dbraw/zinc/23/46/33/402234633.db2.gz BKADSUXQNCKAFZ-SOLBZPMBSA-N 2 0 310.482 2.234 50 0 DEAARP C[NH+](C)CC[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000215331047 402282210 /nfs/dbraw/zinc/28/22/10/402282210.db2.gz XQINCTHVOPEUTK-KRWDZBQOSA-N 2 0 303.450 2.185 50 0 DEAARP NC(=O)[C@H]1CCC[N@H+](CCCNCc2sccc2Cl)C1 ZINC000252498147 402656513 /nfs/dbraw/zinc/65/65/13/402656513.db2.gz QVFANENQOPEPDC-NSHDSACASA-N 2 0 315.870 2.079 50 0 DEAARP C[NH+]1CCC(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175733784 402827868 /nfs/dbraw/zinc/82/78/68/402827868.db2.gz NFZMPPLMPZQKCM-UHFFFAOYSA-N 2 0 322.497 2.034 50 0 DEAARP CN(C(=O)C1([NH3+])CC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072462860 191172444 /nfs/dbraw/zinc/17/24/44/191172444.db2.gz YWDFMRLTXXLZAY-QGZVFWFLSA-N 2 0 315.461 2.033 50 0 DEAARP C[C@H](C1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+]1CCOCC1 ZINC000072473642 191175154 /nfs/dbraw/zinc/17/51/54/191175154.db2.gz QWSKIDYNMAWGSU-OAHLLOKOSA-N 2 0 304.434 2.325 50 0 DEAARP Cc1ccsc1CN(C)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072477596 191179920 /nfs/dbraw/zinc/17/99/20/191179920.db2.gz XDHUBPDXOWTYOG-AWEZNQCLSA-N 2 0 321.490 2.089 50 0 DEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785355 181151800 /nfs/dbraw/zinc/15/18/00/181151800.db2.gz YPTJQGIRFIIISJ-VKJFTORMSA-N 2 0 306.450 2.266 50 0 DEAARP C[C@H]1CCSCCN1CC(O)C[N@@H+]1CCSCC[C@@H]1C ZINC000390834606 540134930 /nfs/dbraw/zinc/13/49/30/540134930.db2.gz IBBJUSIRPKMSKD-KBPBESRZSA-N 2 0 318.552 2.002 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000237728230 202340064 /nfs/dbraw/zinc/34/00/64/202340064.db2.gz YCTUKHVQUHMCIV-QZTJIDSGSA-N 2 0 315.461 2.203 50 0 DEAARP CCc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000188986361 200331210 /nfs/dbraw/zinc/33/12/10/200331210.db2.gz URUPNVNYVCXGTL-IBGZPJMESA-N 2 0 301.478 2.461 50 0 DEAARP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000020102852 182186839 /nfs/dbraw/zinc/18/68/39/182186839.db2.gz ZDWWVJMYUDUGCF-UHFFFAOYSA-N 2 0 317.477 2.275 50 0 DEAARP CCOc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1C[NH+](C)C ZINC000065435912 184344884 /nfs/dbraw/zinc/34/48/84/184344884.db2.gz ZVLSYUNOKUESFV-MRXNPFEDSA-N 2 0 300.406 2.105 50 0 DEAARP CC[N@@H+]1CCC[C@@](C)(C(=O)NCCNc2cc(C)cc[nH+]2)C1 ZINC000065507803 184356746 /nfs/dbraw/zinc/35/67/46/184356746.db2.gz MCHXIKSOXUOIBZ-QGZVFWFLSA-N 2 0 304.438 2.040 50 0 DEAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000262701720 145300995 /nfs/dbraw/zinc/30/09/95/145300995.db2.gz ILGHNEHEIMEILG-JKSUJKDBSA-N 2 0 307.482 2.099 50 0 DEAARP C[NH+](C)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010339015 401769788 /nfs/dbraw/zinc/76/97/88/401769788.db2.gz WBAMTFPAGYUACS-UHFFFAOYSA-N 2 0 303.450 2.354 50 0 DEAARP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CCC[NH+](C)C1 ZINC000089761679 401961140 /nfs/dbraw/zinc/96/11/40/401961140.db2.gz PKTGDXMTAVJKAB-KRWDZBQOSA-N 2 0 317.477 2.355 50 0 DEAARP CC[N@@H+]1CCC[C@](C)(C(=O)NCCNc2cc[nH+]cc2C)C1 ZINC000095382511 402030522 /nfs/dbraw/zinc/03/05/22/402030522.db2.gz FWLAUBSXGWDRQX-KRWDZBQOSA-N 2 0 304.438 2.040 50 0 DEAARP c1ccc(-c2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)nc1 ZINC000067909705 402177832 /nfs/dbraw/zinc/17/78/32/402177832.db2.gz OREQAUJMQPEQHU-UHFFFAOYSA-N 2 0 309.417 2.114 50 0 DEAARP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000071825215 402283377 /nfs/dbraw/zinc/28/33/77/402283377.db2.gz QTZNYQSMNMBKSR-CQSZACIVSA-N 2 0 311.433 2.056 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236715059 402377181 /nfs/dbraw/zinc/37/71/81/402377181.db2.gz IKMRZSRACLELKB-JQHSSLGASA-N 2 0 317.477 2.481 50 0 DEAARP C[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000252519019 402657776 /nfs/dbraw/zinc/65/77/76/402657776.db2.gz ARPAVGMBSCVJNS-QDMKHBRRSA-N 2 0 318.552 2.002 50 0 DEAARP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237520333 290393062 /nfs/dbraw/zinc/39/30/62/290393062.db2.gz APJKFNJQYRQZTQ-DOTOQJQBSA-N 2 0 315.461 2.287 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000408519119 534164224 /nfs/dbraw/zinc/16/42/24/534164224.db2.gz WCHAOGAUGXNGNM-IIDMSEBBSA-N 2 0 307.482 2.227 50 0 DEAARP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000241338636 534439133 /nfs/dbraw/zinc/43/91/33/534439133.db2.gz MCQGHMBTQUPYTM-RBSFLKMASA-N 2 0 307.438 2.026 50 0 DEAARP O[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](CCCc3ccccc3)C2)C1 ZINC000585133484 790330135 /nfs/dbraw/zinc/33/01/35/790330135.db2.gz JLLWOPMDPDTAFK-RTBURBONSA-N 2 0 302.462 2.398 50 0 DEAARP COCC[NH+]1CCC(C[N@H+](C)C[C@H]2CCOC(C)(C)C2)CC1 ZINC001506418239 1061963013 /nfs/dbraw/zinc/96/30/13/1061963013.db2.gz VZAKIVBVUWETCY-KRWDZBQOSA-N 2 0 312.498 2.482 50 0 DEAARP CCNc1cc[nH+]c(CN2CC[N@H+](CCOC)[C@H](CC)C2)c1 ZINC000089949227 185270984 /nfs/dbraw/zinc/27/09/84/185270984.db2.gz HKCBEWQVCNWUDM-QGZVFWFLSA-N 2 0 306.454 2.056 50 0 DEAARP COCC[NH+]1CCC([C@H]2c3[nH]cnc3CCN2CC(C)C)CC1 ZINC000072172634 191069889 /nfs/dbraw/zinc/06/98/89/191069889.db2.gz ZJHGHHPPPBVBTO-SFHVURJKSA-N 2 0 320.481 2.323 50 0 DEAARP COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)CC12CC[NH2+]CC2 ZINC000169789821 355983568 /nfs/dbraw/zinc/98/35/68/355983568.db2.gz SAXPCQURUOWPQD-MRXNPFEDSA-N 2 0 304.434 2.143 50 0 DEAARP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000195554609 356257235 /nfs/dbraw/zinc/25/72/35/356257235.db2.gz VMJCSMOZRRTJSA-SZMVWBNQSA-N 2 0 313.445 2.162 50 0 DEAARP CC[C@@H](CNc1nc(CC[NH3+])nc2ccccc21)[N@H+](C)CC ZINC000065396282 184335468 /nfs/dbraw/zinc/33/54/68/184335468.db2.gz SUXNFYWJZBRZFA-ZDUSSCGKSA-N 2 0 301.438 2.273 50 0 DEAARP C[C@H]1C[NH+](CC2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)O1 ZINC000069484319 184518296 /nfs/dbraw/zinc/51/82/96/184518296.db2.gz SPRXGOCAUKSXNA-IRXDYDNUSA-N 2 0 317.477 2.445 50 0 DEAARP CCCCc1n(C)cc[n+]1CC[n+]1ccn(C)c1CCCC ZINC000001812930 401711224 /nfs/dbraw/zinc/71/12/24/401711224.db2.gz QFVUXFKHBOYUSY-UHFFFAOYSA-N 2 0 304.482 2.324 50 0 DEAARP CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011817602 401776947 /nfs/dbraw/zinc/77/69/47/401776947.db2.gz FLTYMHSTEWGZBY-OAHLLOKOSA-N 2 0 321.509 2.488 50 0 DEAARP C[C@@H](C1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077389192 401813658 /nfs/dbraw/zinc/81/36/58/401813658.db2.gz IITNBXFHWVNBPU-INIZCTEOSA-N 2 0 317.477 2.240 50 0 DEAARP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054510558 402068352 /nfs/dbraw/zinc/06/83/52/402068352.db2.gz RJOOPUHVRSOULR-AWEZNQCLSA-N 2 0 324.513 2.327 50 0 DEAARP COCc1cc(C[N@H+](C)C2CCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067673370 402167123 /nfs/dbraw/zinc/16/71/23/402167123.db2.gz OUXVMWLVNZYWGU-UHFFFAOYSA-N 2 0 306.454 2.300 50 0 DEAARP [NH3+][C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000067758145 402171957 /nfs/dbraw/zinc/17/19/57/402171957.db2.gz YSTXYRXJVITPCN-QZTJIDSGSA-N 2 0 315.461 2.285 50 0 DEAARP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000153834904 402173554 /nfs/dbraw/zinc/17/35/54/402173554.db2.gz FJZIYWSKSMSQET-BETUJISGSA-N 2 0 315.417 2.317 50 0 DEAARP COc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069951405 402252771 /nfs/dbraw/zinc/25/27/71/402252771.db2.gz BWGDCJPFYWMHTA-CQSZACIVSA-N 2 0 324.440 2.359 50 0 DEAARP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000215616928 402284215 /nfs/dbraw/zinc/28/42/15/402284215.db2.gz UCDQHCWRUGTRJL-HNNXBMFYSA-N 2 0 314.437 2.030 50 0 DEAARP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000225474174 402318630 /nfs/dbraw/zinc/31/86/30/402318630.db2.gz YKFWVNMJUQHJEM-KRWDZBQOSA-N 2 0 307.482 2.336 50 0 DEAARP C[C@@H]1SCC[C@@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000252585279 402659080 /nfs/dbraw/zinc/65/90/80/402659080.db2.gz HMNLOTXZTWPMAH-RYQLBKOJSA-N 2 0 319.518 2.459 50 0 DEAARP CN(C)c1ccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)cc1 ZINC000000203747 683830378 /nfs/dbraw/zinc/83/03/78/683830378.db2.gz PBWSUOAGVAKKOW-UHFFFAOYSA-N 2 0 300.410 2.099 50 0 DEAARP CCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001529173121 1070902149 /nfs/dbraw/zinc/90/21/49/1070902149.db2.gz MPVHUQNDYBWXCF-AEFFLSMTSA-N 2 0 303.450 2.103 50 0 DEAARP Cc1cc(C)n(C[C@H](C)[NH+]2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC001506398072 1061936560 /nfs/dbraw/zinc/93/65/60/1061936560.db2.gz JIRZGJSQGFZIGF-KRWDZBQOSA-N 2 0 313.449 2.414 50 0 DEAARP CCc1ccc(C[NH+]2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC000169789014 355983607 /nfs/dbraw/zinc/98/36/07/355983607.db2.gz OXJRHZXLLWVPCY-OALUTQOASA-N 2 0 302.462 2.289 50 0 DEAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccncc1F)CC2 ZINC000169789848 355984078 /nfs/dbraw/zinc/98/40/78/355984078.db2.gz XHXPWCYCLSYOCI-HNNXBMFYSA-N 2 0 307.413 2.011 50 0 DEAARP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000194884660 356246429 /nfs/dbraw/zinc/24/64/29/356246429.db2.gz CMRBIFUJNTUGED-CRAIPNDOSA-N 2 0 317.477 2.298 50 0 DEAARP CN1CC[N@H+](C)C[C@H]1CC[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000601012374 359893688 /nfs/dbraw/zinc/89/36/88/359893688.db2.gz CWUVXNOWKCDEGI-SJLPKXTDSA-N 2 0 305.441 2.251 50 0 DEAARP Cc1ccc([C@@H](C)CC[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)o1 ZINC000670434983 540932455 /nfs/dbraw/zinc/93/24/55/540932455.db2.gz WWBXSYXSXGDKOO-HNNXBMFYSA-N 2 0 321.465 2.178 50 0 DEAARP Cc1cc(N2CCC[N@H+](Cc3ccccc3C)CC2)nc(N)[nH+]1 ZINC000042104208 183232866 /nfs/dbraw/zinc/23/28/66/183232866.db2.gz VJJALBSXYALKEA-UHFFFAOYSA-N 2 0 311.433 2.388 50 0 DEAARP CCN(Cc1ccccc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072426017 285109569 /nfs/dbraw/zinc/10/95/69/285109569.db2.gz JZGGCKOBYWIWOE-KRWDZBQOSA-N 2 0 315.461 2.109 50 0 DEAARP COc1cc(C[n+]2ccccc2)c(OC)cc1C[n+]1ccccc1 ZINC000000277978 401693580 /nfs/dbraw/zinc/69/35/80/401693580.db2.gz CCFOQKXYCDYADM-UHFFFAOYSA-N 2 0 322.408 2.375 50 0 DEAARP CC(C)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012707419 401790379 /nfs/dbraw/zinc/79/03/79/401790379.db2.gz XKMLATWWAKIBIB-INIZCTEOSA-N 2 0 321.509 2.488 50 0 DEAARP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000096499767 402097027 /nfs/dbraw/zinc/09/70/27/402097027.db2.gz IHCMFRXCKNHPIP-ROUUACIJSA-N 2 0 315.461 2.252 50 0 DEAARP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)cc(C)[nH+]1 ZINC000108257273 402249189 /nfs/dbraw/zinc/24/91/89/402249189.db2.gz DERJUQWTAARMRI-LJQANCHMSA-N 2 0 311.429 2.382 50 0 DEAARP COc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069951404 402252555 /nfs/dbraw/zinc/25/25/55/402252555.db2.gz BWGDCJPFYWMHTA-AWEZNQCLSA-N 2 0 324.440 2.359 50 0 DEAARP [NH3+]C1CC(c2cc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)ncn2)C1 ZINC000219990167 402300292 /nfs/dbraw/zinc/30/02/92/402300292.db2.gz DVYGHAGDYAPSEI-JCYILVPMSA-N 2 0 323.444 2.368 50 0 DEAARP Cc1cc(C)c2c(c1)[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079684 402502922 /nfs/dbraw/zinc/50/29/22/402502922.db2.gz BUQSFMSFEFMSLP-FUHWJXTLSA-N 2 0 304.434 2.173 50 0 DEAARP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000252499103 402656568 /nfs/dbraw/zinc/65/65/68/402656568.db2.gz RVNHTMXIXNPQCA-LJQANCHMSA-N 2 0 313.489 2.256 50 0 DEAARP COc1ccccc1/C=C\C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000102338679 424847684 /nfs/dbraw/zinc/84/76/84/424847684.db2.gz PESDZANIRYJIFG-GMNBZTITSA-N 2 0 318.461 2.391 50 0 DEAARP [NH3+][C@@H]1CCN(Cc2ccccc2OCCC[NH+]2CCCCC2)C1 ZINC000215970259 303470293 /nfs/dbraw/zinc/47/02/93/303470293.db2.gz BVFXLUJFGPLTHQ-GOSISDBHSA-N 2 0 317.477 2.474 50 0 DEAARP CC[NH2+]CC[C@H]1CCC(=O)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299785928 528336082 /nfs/dbraw/zinc/33/60/82/528336082.db2.gz PBCAZEOOJYOSSJ-QZTJIDSGSA-N 2 0 315.461 2.252 50 0 DEAARP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000252486313 563915915 /nfs/dbraw/zinc/91/59/15/563915915.db2.gz IHCMFRXCKNHPIP-QZTJIDSGSA-N 2 0 315.461 2.252 50 0 DEAARP c1cc(CC[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)ccn1 ZINC000585133305 790329759 /nfs/dbraw/zinc/32/97/59/790329759.db2.gz FHCJFFQZASWBKH-UHFFFAOYSA-N 2 0 316.493 2.118 50 0 DEAARP CC(C)[C@@H]1CN(C(=O)CC[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071760114 191026574 /nfs/dbraw/zinc/02/65/74/191026574.db2.gz ITEXZAGHDVGHTR-KRWDZBQOSA-N 2 0 321.440 2.233 50 0 DEAARP Cc1noc(CC[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)n1 ZINC000097095424 355701061 /nfs/dbraw/zinc/70/10/61/355701061.db2.gz AUKORDGPVITEPL-WMLDXEAASA-N 2 0 314.433 2.421 50 0 DEAARP C1CC([NH+]2CCC([NH2+]C3CSCCSC3)CC2)CCO1 ZINC000670445401 540934836 /nfs/dbraw/zinc/93/48/36/540934836.db2.gz DMAZHKANPOXJNZ-UHFFFAOYSA-N 2 0 316.536 2.068 50 0 DEAARP [NH3+]CCc1nc2ccccc2c(NCC[NH+]2CCCCCC2)n1 ZINC000065464159 184349625 /nfs/dbraw/zinc/34/96/25/184349625.db2.gz UHPPOPFXMNMQMI-UHFFFAOYSA-N 2 0 313.449 2.419 50 0 DEAARP O=C(C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007339135 401739039 /nfs/dbraw/zinc/73/90/39/401739039.db2.gz ANMKNKGIWJFGDZ-UHFFFAOYSA-N 2 0 315.461 2.253 50 0 DEAARP Cc1cccc(=O)n1CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484335 402094357 /nfs/dbraw/zinc/09/43/57/402094357.db2.gz MJHQVDUIAVCTIA-IAGOWNOFSA-N 2 0 303.450 2.153 50 0 DEAARP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000069489529 402226635 /nfs/dbraw/zinc/22/66/35/402226635.db2.gz DYDOXXJWBNPZGB-IYBDPMFKSA-N 2 0 303.450 2.403 50 0 DEAARP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000069897179 402249408 /nfs/dbraw/zinc/24/94/08/402249408.db2.gz ZHJMGMSXHRPAKH-OAHLLOKOSA-N 2 0 306.450 2.220 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000408519000 529042308 /nfs/dbraw/zinc/04/23/08/529042308.db2.gz QXLVQECSQCOTLA-IBGZPJMESA-N 2 0 316.493 2.287 50 0 DEAARP CC1CC[NH+](CCN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079094835 185157606 /nfs/dbraw/zinc/15/76/06/185157606.db2.gz PHCVKXQNFPRCOR-OTWHNJEPSA-N 2 0 323.525 2.292 50 0 DEAARP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[S@](C)=O ZINC000090841719 539418380 /nfs/dbraw/zinc/41/83/80/539418380.db2.gz YKJKJNVLTQDINM-DHYLWCPWSA-N 2 0 300.512 2.386 50 0 DEAARP Cn1ccnc1SCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067490503 190709112 /nfs/dbraw/zinc/70/91/12/190709112.db2.gz FCTCBFPHGDFWHS-UHFFFAOYSA-N 2 0 308.495 2.414 50 0 DEAARP CC[N@H+](CCOc1ccc(Cl)cc1)C[C@]1(O)CCC[NH2+]C1 ZINC000072422772 191158179 /nfs/dbraw/zinc/15/81/79/191158179.db2.gz UWWYMYJMAYLYOJ-INIZCTEOSA-N 2 0 312.841 2.155 50 0 DEAARP COC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC12CC[NH2+]CC2 ZINC000169789793 355984153 /nfs/dbraw/zinc/98/41/53/355984153.db2.gz XPEMOCLABUHVBZ-AWEZNQCLSA-N 2 0 310.388 2.413 50 0 DEAARP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH3+])CC2)C1 ZINC000237671272 202325958 /nfs/dbraw/zinc/32/59/58/202325958.db2.gz BVEFNGWNAWGPIT-AWEZNQCLSA-N 2 0 301.434 2.026 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000072305960 401708664 /nfs/dbraw/zinc/70/86/64/401708664.db2.gz HNCSSJKAPOIAQS-ULQDDVLXSA-N 2 0 324.513 2.375 50 0 DEAARP C[C@H](C1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077389198 401813598 /nfs/dbraw/zinc/81/35/98/401813598.db2.gz IITNBXFHWVNBPU-MRXNPFEDSA-N 2 0 317.477 2.240 50 0 DEAARP C[C@@H](CCCC(C)(C)O)CC[NH2+]CCC1(O)CC[NH+](C)CC1 ZINC000032541381 401879739 /nfs/dbraw/zinc/87/97/39/401879739.db2.gz YZMNQSUPHADCMM-INIZCTEOSA-N 2 0 314.514 2.390 50 0 DEAARP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCOC2)CC1 ZINC000095967704 402038354 /nfs/dbraw/zinc/03/83/54/402038354.db2.gz BJFQCHTWHAXRMT-HOCLYGCPSA-N 2 0 321.440 2.407 50 0 DEAARP c1ccc(CC[NH+]2CCC(C[NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC000067514914 402161833 /nfs/dbraw/zinc/16/18/33/402161833.db2.gz BNSHEZBDRGQPDZ-LJQANCHMSA-N 2 0 301.478 2.283 50 0 DEAARP c1cn(CCC[N@@H+](Cc2ccncc2)C[C@H]2CCC[NH2+]C2)cn1 ZINC000216163737 402287005 /nfs/dbraw/zinc/28/70/05/402287005.db2.gz UVXYBJJKXHTIDO-SFHVURJKSA-N 2 0 313.449 2.170 50 0 DEAARP Cn1nccc1CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000225559081 402320965 /nfs/dbraw/zinc/32/09/65/402320965.db2.gz BYHQHIZHJDNFPM-GOSISDBHSA-N 2 0 312.461 2.417 50 0 DEAARP Cc1cc(C)c2c(c1)[C@H](NC[C@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079681 402503264 /nfs/dbraw/zinc/50/32/64/402503264.db2.gz BUQSFMSFEFMSLP-SJLPKXTDSA-N 2 0 304.434 2.173 50 0 DEAARP C[NH2+]CC1CC[NH+](Cc2cnc(C(F)(F)F)nc2C)CC1 ZINC000426566881 405369087 /nfs/dbraw/zinc/36/90/87/405369087.db2.gz LCGFUXDRDAGDJP-UHFFFAOYSA-N 2 0 302.344 2.235 50 0 DEAARP O[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](CCCc3ccccc3)C2)C1 ZINC000585133481 790329621 /nfs/dbraw/zinc/32/96/21/790329621.db2.gz JLLWOPMDPDTAFK-MOPGFXCFSA-N 2 0 302.462 2.398 50 0 DEAARP Cc1c[nH+]ccc1NCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952974379 792835733 /nfs/dbraw/zinc/83/57/33/792835733.db2.gz LMKIQMYXFQPKII-UHFFFAOYSA-N 3 0 302.466 2.126 50 0 DEAARP CC(C)=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001506422395 1061966403 /nfs/dbraw/zinc/96/64/03/1061966403.db2.gz ARCOOYRUTLCONM-KRWDZBQOSA-N 2 0 307.482 2.265 50 0 DEAARP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000095422348 185360997 /nfs/dbraw/zinc/36/09/97/185360997.db2.gz QGYZQWRAOUWWKR-GDBMZVCRSA-N 2 0 309.498 2.091 50 0 DEAARP Cc1noc(CC[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)n1 ZINC000097095425 355700827 /nfs/dbraw/zinc/70/08/27/355700827.db2.gz AUKORDGPVITEPL-YOEHRIQHSA-N 2 0 314.433 2.421 50 0 DEAARP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000169788988 355983299 /nfs/dbraw/zinc/98/32/99/355983299.db2.gz ZQFZRKXORNHDPE-RDJZCZTQSA-N 2 0 308.853 2.380 50 0 DEAARP C[C@@H]1SCC[C@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000195573146 356258897 /nfs/dbraw/zinc/25/88/97/356258897.db2.gz HMNLOTXZTWPMAH-JQHSSLGASA-N 2 0 319.518 2.459 50 0 DEAARP Cc1cc(NCC2([NH+]3CCN(C)CC3)CCCC2)cc(C)[nH+]1 ZINC000584890319 357326727 /nfs/dbraw/zinc/32/67/27/357326727.db2.gz CLIDWWZQDFFUKL-UHFFFAOYSA-N 2 0 302.466 2.092 50 0 DEAARP CCc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000020192286 182196336 /nfs/dbraw/zinc/19/63/36/182196336.db2.gz DGQOMPMNCSYRNS-UHFFFAOYSA-N 2 0 301.478 2.461 50 0 DEAARP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365080 184109393 /nfs/dbraw/zinc/10/93/93/184109393.db2.gz LVHCEUJXVSPXEZ-GDBMZVCRSA-N 2 0 321.440 2.104 50 0 DEAARP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000065451867 184346808 /nfs/dbraw/zinc/34/68/08/184346808.db2.gz QSVWXMROJBMAEP-UHFFFAOYSA-N 2 0 315.461 2.109 50 0 DEAARP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000078552954 401855507 /nfs/dbraw/zinc/85/55/07/401855507.db2.gz MPYSAEUMVWXUEA-UHFFFAOYSA-N 2 0 311.420 2.328 50 0 DEAARP Cc1cccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000077376538 401813050 /nfs/dbraw/zinc/81/30/50/401813050.db2.gz OIVQXYABIFFZIQ-KRWDZBQOSA-N 2 0 316.493 2.238 50 0 DEAARP Cc1ccc(SCCN(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000055060651 402074836 /nfs/dbraw/zinc/07/48/36/402074836.db2.gz SQOQBPXMCONYLE-HNNXBMFYSA-N 2 0 309.479 2.002 50 0 DEAARP C[NH+](C)C1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000096484340 402094367 /nfs/dbraw/zinc/09/43/67/402094367.db2.gz VLFKBJYQSRUVMU-FUHWJXTLSA-N 3 0 322.541 2.007 50 0 DEAARP COc1ccccc1N1CCC([N@@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)CC1 ZINC000065370560 402124142 /nfs/dbraw/zinc/12/41/42/402124142.db2.gz JYRMLDDWMFKRIX-WBVHZDCISA-N 2 0 315.461 2.490 50 0 DEAARP C([C@@H]1CCCO1)N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067690899 402167895 /nfs/dbraw/zinc/16/78/95/402167895.db2.gz IFESXRSJPUCESQ-SFHVURJKSA-N 2 0 321.509 2.095 50 0 DEAARP COCCc1noc(C[N@H+](C)C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067772518 402172509 /nfs/dbraw/zinc/17/25/09/402172509.db2.gz OGMSXGDVJZHVGM-UHFFFAOYSA-N 2 0 322.453 2.003 50 0 DEAARP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000069508331 402227440 /nfs/dbraw/zinc/22/74/40/402227440.db2.gz JTZHWVMENWCQJE-JZXOWHBKSA-N 2 0 310.482 2.377 50 0 DEAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000069737331 402240969 /nfs/dbraw/zinc/24/09/69/402240969.db2.gz AVQFQHOLHCJTTO-UHFFFAOYSA-N 2 0 312.845 2.297 50 0 DEAARP C[C@](O)(C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccco1 ZINC000253427163 402665993 /nfs/dbraw/zinc/66/59/93/402665993.db2.gz IBDQWRJHSAYATN-SFHVURJKSA-N 2 0 315.417 2.136 50 0 DEAARP Cc1nc(C2CC([NH3+])C2)cc(N(C)CC[NH+]2CCCCCC2)n1 ZINC000219030752 293251309 /nfs/dbraw/zinc/25/13/09/293251309.db2.gz XKEKISQWUPCYHD-UHFFFAOYSA-N 2 0 317.481 2.302 50 0 DEAARP Cc1cc(NCC[C@H](C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000534642948 334305826 /nfs/dbraw/zinc/30/58/26/334305826.db2.gz BLHCTTIQUWGIEK-INIZCTEOSA-N 2 0 312.461 2.403 50 0 DEAARP Cc1cc(NCC[N@@H+]2CCC[C@H](CO)C2)c2cc(F)ccc2[nH+]1 ZINC001529125961 1070870573 /nfs/dbraw/zinc/87/05/73/1070870573.db2.gz FHRHLMIQPRCEDR-AWEZNQCLSA-N 2 0 317.408 2.220 50 0 DEAARP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073569 185153919 /nfs/dbraw/zinc/15/39/19/185153919.db2.gz LZBROWLQSVWJMG-UONOGXRCSA-N 2 0 309.454 2.070 50 0 DEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000072160885 191062422 /nfs/dbraw/zinc/06/24/22/191062422.db2.gz QHERYOBQVCEHDI-SFHVURJKSA-N 2 0 324.440 2.373 50 0 DEAARP Cc1cc(C)nc(NC(=[NH2+])NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000004702298 181139713 /nfs/dbraw/zinc/13/97/13/181139713.db2.gz HQCUDGKPMWMESJ-UHFFFAOYSA-N 2 0 304.442 2.339 50 0 DEAARP C[C@@H]1CCSCCN1CC(O)C[N@@H+]1CCSCC[C@H]1C ZINC000390834608 540135007 /nfs/dbraw/zinc/13/50/07/540135007.db2.gz IBBJUSIRPKMSKD-ZIAGYGMSSA-N 2 0 318.552 2.002 50 0 DEAARP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccnn3C)CC2)C[C@@H](C)O1 ZINC000093844384 193317219 /nfs/dbraw/zinc/31/72/19/193317219.db2.gz IWQRFFIXYVONOK-HZPDHXFCSA-N 2 0 320.481 2.131 50 0 DEAARP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC2=[NH+]CCN2)C1 ZINC000069350437 184508713 /nfs/dbraw/zinc/50/87/13/184508713.db2.gz CMIOSHLADUKYCN-HUUCEWRRSA-N 2 0 300.450 2.213 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H](C)C1 ZINC000262665961 257237652 /nfs/dbraw/zinc/23/76/52/257237652.db2.gz JVFQGIOSLSSAAS-INMHGKMJSA-N 2 0 309.498 2.201 50 0 DEAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3s2)CC1 ZINC000071870958 401689827 /nfs/dbraw/zinc/68/98/27/401689827.db2.gz KCQQHFIIGASNMP-ZDUSSCGKSA-N 2 0 319.474 2.479 50 0 DEAARP CC1CC[NH+](CCN2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079094832 401870122 /nfs/dbraw/zinc/87/01/22/401870122.db2.gz PHCVKXQNFPRCOR-CEXWTWQISA-N 2 0 323.525 2.292 50 0 DEAARP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)cc(C)[nH+]1 ZINC000095500864 402034149 /nfs/dbraw/zinc/03/41/49/402034149.db2.gz DERJUQWTAARMRI-IBGZPJMESA-N 2 0 311.429 2.382 50 0 DEAARP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000095968939 402038631 /nfs/dbraw/zinc/03/86/31/402038631.db2.gz ZJHUTUAICVGJJT-SFHVURJKSA-N 2 0 301.478 2.160 50 0 DEAARP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000058391806 402101074 /nfs/dbraw/zinc/10/10/74/402101074.db2.gz QGQMPEXJAKPFBC-UHFFFAOYSA-N 2 0 315.465 2.146 50 0 DEAARP c1ccc2cc(N3CC[NH+](C[C@H]4[C@@H]5C[NH2+]C[C@H]45)CC3)ccc2c1 ZINC000102760052 402171594 /nfs/dbraw/zinc/17/15/94/402171594.db2.gz GYHVSNCKHZPDHE-PMOLBWCYSA-N 2 0 307.441 2.427 50 0 DEAARP Cc1cc(C)c2c(c1)[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079690 402503180 /nfs/dbraw/zinc/50/31/80/402503180.db2.gz BUQSFMSFEFMSLP-WMZOPIPTSA-N 2 0 304.434 2.173 50 0 DEAARP CC[N@@H+]1CC[C@H](N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000252587281 402658863 /nfs/dbraw/zinc/65/88/63/402658863.db2.gz WZGOYEPMPBYMMJ-MGHWNKPDSA-N 2 0 305.441 2.283 50 0 DEAARP CC[N@@H+]1CC[C@@]2(CCN(Cc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000299786291 403574447 /nfs/dbraw/zinc/57/44/47/403574447.db2.gz SHQOFDCTHVMWON-LJQANCHMSA-N 2 0 315.461 2.086 50 0 DEAARP Cc1cnc(-c2ccncc2)n1CC1C[NH+](C2CCOCC2)C1 ZINC000575549589 406811935 /nfs/dbraw/zinc/81/19/35/406811935.db2.gz LECFANAJOIIMEN-UHFFFAOYSA-N 2 0 312.417 2.364 50 0 DEAARP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237516213 290390113 /nfs/dbraw/zinc/39/01/13/290390113.db2.gz PXDYQABZFYKPJG-HRCADAONSA-N 2 0 309.498 2.473 50 0 DEAARP C[N@@H+]1CCC[C@@H](CCNC(=O)C2([NH+]3CCCC3)CCCC2)C1 ZINC000952966360 792815373 /nfs/dbraw/zinc/81/53/73/792815373.db2.gz WDEVTXJOWNVPDT-INIZCTEOSA-N 2 0 307.482 2.243 50 0 DEAARP CNC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000170082859 197768533 /nfs/dbraw/zinc/76/85/33/197768533.db2.gz VTXGUGHHAZKOCA-KRWDZBQOSA-N 2 0 301.434 2.010 50 0 DEAARP CC(C)CCN1CC2(CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479880 191181218 /nfs/dbraw/zinc/18/12/18/191181218.db2.gz SKJYLNKCQOVJCK-MRXNPFEDSA-N 2 0 323.481 2.319 50 0 DEAARP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237585221 202293178 /nfs/dbraw/zinc/29/31/78/202293178.db2.gz RYTMEIJXRIKBHL-CRAIPNDOSA-N 2 0 315.461 2.250 50 0 DEAARP CC[N@@H+]1CCC[C@](C)(C(=O)NCCNc2cc(C)cc[nH+]2)C1 ZINC000065507805 184356795 /nfs/dbraw/zinc/35/67/95/184356795.db2.gz MCHXIKSOXUOIBZ-KRWDZBQOSA-N 2 0 304.438 2.040 50 0 DEAARP Cc1cc(C[NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2n1 ZINC000069415285 184512951 /nfs/dbraw/zinc/51/29/51/184512951.db2.gz YDJWDUWUSXDYEB-UHFFFAOYSA-N 2 0 313.445 2.337 50 0 DEAARP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095531772 402033975 /nfs/dbraw/zinc/03/39/75/402033975.db2.gz KDYMYXHOORPWHX-MRXNPFEDSA-N 2 0 318.461 2.016 50 0 DEAARP Cc1nc(C2CC[NH2+]CC2)cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)n1 ZINC000067714258 402169982 /nfs/dbraw/zinc/16/99/82/402169982.db2.gz GIBCSPVPPWVMLB-QGZVFWFLSA-N 2 0 317.481 2.028 50 0 DEAARP C[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071419045 402275044 /nfs/dbraw/zinc/27/50/44/402275044.db2.gz RVIHQXBQPAGLGD-QGZVFWFLSA-N 2 0 321.440 2.104 50 0 DEAARP Cn1nccc1CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000225559050 402320840 /nfs/dbraw/zinc/32/08/40/402320840.db2.gz BYHQHIZHJDNFPM-SFHVURJKSA-N 2 0 312.461 2.417 50 0 DEAARP C[NH2+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000179001049 402563398 /nfs/dbraw/zinc/56/33/98/402563398.db2.gz GVMFEIZNAYDULO-CYBMUJFWSA-N 2 0 315.417 2.176 50 0 DEAARP c1cn(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000280225589 402977302 /nfs/dbraw/zinc/97/73/02/402977302.db2.gz ATSIHYCEIILLHM-KDURUIRLSA-N 2 0 310.445 2.337 50 0 DEAARP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)CC1 ZINC000585115982 405870877 /nfs/dbraw/zinc/87/08/77/405870877.db2.gz CJTUMLFFBDKNFA-MRXNPFEDSA-N 2 0 321.509 2.441 50 0 DEAARP CC[N@@H+]1CCC[C@H]1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244858438 276184103 /nfs/dbraw/zinc/18/41/03/276184103.db2.gz VLCIFIGXQHIRKG-IBGZPJMESA-N 2 0 313.489 2.256 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000408525397 534163192 /nfs/dbraw/zinc/16/31/92/534163192.db2.gz BVUBXWNVUIDBEQ-NUJGCVRESA-N 2 0 307.482 2.099 50 0 DEAARP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)CC2 ZINC000252476887 529112193 /nfs/dbraw/zinc/11/21/93/529112193.db2.gz DGBGFZJDXACSCU-OIISXLGYSA-N 2 0 322.497 2.126 50 0 DEAARP CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC001506416514 1061961302 /nfs/dbraw/zinc/96/13/02/1061961302.db2.gz JRIHXWNDUFRKQA-INIZCTEOSA-N 2 0 305.466 2.162 50 0 DEAARP [NH3+]C1CC(c2cc(NCC[NH+]3CCCC3)nc(C3CC3)n2)C1 ZINC000219330395 201554720 /nfs/dbraw/zinc/55/47/20/201554720.db2.gz JAEOSPYECPKOFS-UHFFFAOYSA-N 2 0 301.438 2.066 50 0 DEAARP C[C@@]([NH3+])(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261856383 203136504 /nfs/dbraw/zinc/13/65/04/203136504.db2.gz VWPHDTFMORTIEL-KPFFTGBYSA-N 2 0 323.440 2.061 50 0 DEAARP Cc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)o1 ZINC000077356758 401811859 /nfs/dbraw/zinc/81/18/59/401811859.db2.gz DHKQOXYOIIUFOQ-INIZCTEOSA-N 2 0 305.466 2.436 50 0 DEAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000012443678 401786503 /nfs/dbraw/zinc/78/65/03/401786503.db2.gz NKSGUBNSCXUYEB-OAHLLOKOSA-N 2 0 319.493 2.384 50 0 DEAARP Cc1ccccc1[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000216373106 402288624 /nfs/dbraw/zinc/28/86/24/402288624.db2.gz ZVGITSDNPKONIS-KRWDZBQOSA-N 2 0 303.450 2.104 50 0 DEAARP O=C(CC[NH+]1Cc2ccccc2C1)N1CC([NH+]2CCCCC2)C1 ZINC000223661590 402311930 /nfs/dbraw/zinc/31/19/30/402311930.db2.gz VFLCWMGAJOEVIE-UHFFFAOYSA-N 2 0 313.445 2.089 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168510546 402496676 /nfs/dbraw/zinc/49/66/76/402496676.db2.gz QRRWXWAACIJVDL-PVAVHDDUSA-N 2 0 303.450 2.235 50 0 DEAARP CC(C)CC(=O)N1CC([N@@H+](CC(C)C)C2CCN(C)CC2)C1 ZINC000581799726 777831625 /nfs/dbraw/zinc/83/16/25/777831625.db2.gz OOVTXCBURDEYTC-UHFFFAOYSA-N 2 0 309.498 2.296 50 0 DEAARP CC(=O)NC(C)(C)C[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000820574057 1090553707 /nfs/dbraw/zinc/55/37/07/1090553707.db2.gz XARANKPHKZLFAO-OAHLLOKOSA-N 2 0 318.465 2.205 50 0 DEAARP CC(C)[NH+]1CCC(Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000195558827 356257233 /nfs/dbraw/zinc/25/72/33/356257233.db2.gz YBGIMTWZIPPBBU-UHFFFAOYSA-N 2 0 317.481 2.118 50 0 DEAARP C[C@H]1C[C@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237582971 202291646 /nfs/dbraw/zinc/29/16/46/202291646.db2.gz UEDMXQBUJRLGCJ-DOTOQJQBSA-N 2 0 303.450 2.237 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237728166 202340768 /nfs/dbraw/zinc/34/07/68/202340768.db2.gz YCTUKHVQUHMCIV-MSOLQXFVSA-N 2 0 315.461 2.203 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237343767 296314319 /nfs/dbraw/zinc/31/43/19/296314319.db2.gz APJKFNJQYRQZTQ-NVXWUHKLSA-N 2 0 315.461 2.287 50 0 DEAARP CC/C=C(/C)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000521394848 257240768 /nfs/dbraw/zinc/24/07/68/257240768.db2.gz HRCNZARWEDBVMF-APSNUPSMSA-N 2 0 307.482 2.361 50 0 DEAARP COc1c2c(cc3c1[C@@H](Nc1cc[nH+]cc1)N(C)CC3)OCO2 ZINC000004090480 401725586 /nfs/dbraw/zinc/72/55/86/401725586.db2.gz HUQDBZGOUSLPHP-KRWDZBQOSA-N 2 0 313.357 2.418 50 0 biogenic DEAARP Fc1c(CSC2=[NH+]CCN2)cccc1CSC1=[NH+]CCN1 ZINC000000140849 401688463 /nfs/dbraw/zinc/68/84/63/401688463.db2.gz CXLOKACRUBUWPT-UHFFFAOYSA-N 2 0 324.450 2.211 50 0 DEAARP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCO2 ZINC000030907052 401866981 /nfs/dbraw/zinc/86/69/81/401866981.db2.gz AFELRFHTYSWBKN-ZDUSSCGKSA-N 2 0 318.417 2.040 50 0 DEAARP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000215616876 402284072 /nfs/dbraw/zinc/28/40/72/402284072.db2.gz UCDQHCWRUGTRJL-OAHLLOKOSA-N 2 0 314.437 2.030 50 0 DEAARP C[C@H]1C[NH+](CCC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000131636692 196185830 /nfs/dbraw/zinc/18/58/30/196185830.db2.gz QVMVDEPCYPZFMD-IRXDYDNUSA-N 2 0 320.481 2.094 50 0 DEAARP Cc1cc(C)c(C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)c(C)c1 ZINC000058014170 184067418 /nfs/dbraw/zinc/06/74/18/184067418.db2.gz BYYUTWLAOIVDNJ-UHFFFAOYSA-N 2 0 317.477 2.289 50 0 DEAARP O[C@]1(C[N@H+](CCc2ccccc2)Cc2ccccc2)CC[NH2+]C1 ZINC000077340315 401810801 /nfs/dbraw/zinc/81/08/01/401810801.db2.gz UFJWSWPVSZGXAB-HXUWFJFHSA-N 2 0 310.441 2.456 50 0 DEAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CCC3)C2)CC1 ZINC000012752157 401791142 /nfs/dbraw/zinc/79/11/42/401791142.db2.gz QAKICANVQFAODI-OAHLLOKOSA-N 2 0 307.482 2.240 50 0 DEAARP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095531773 402033587 /nfs/dbraw/zinc/03/35/87/402033587.db2.gz KDYMYXHOORPWHX-INIZCTEOSA-N 2 0 318.461 2.016 50 0 DEAARP C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000095966293 402038027 /nfs/dbraw/zinc/03/80/27/402038027.db2.gz IPCUIUVGQKRVHP-GJZGRUSLSA-N 2 0 321.440 2.265 50 0 DEAARP Cc1nc(SCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n[nH]1 ZINC000067757786 402171598 /nfs/dbraw/zinc/17/15/98/402171598.db2.gz YRAKTIGXXIDBCJ-UHFFFAOYSA-N 2 0 309.483 2.107 50 0 DEAARP CCOC(=O)N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067842590 402174673 /nfs/dbraw/zinc/17/46/73/402174673.db2.gz VIPNIEDIXIRDTG-UHFFFAOYSA-N 2 0 309.454 2.073 50 0 DEAARP COc1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069029994 402211526 /nfs/dbraw/zinc/21/15/26/402211526.db2.gz PQTMDOVEBXDRGW-UHFFFAOYSA-N 2 0 322.424 2.379 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC000240668508 402442297 /nfs/dbraw/zinc/44/22/97/402442297.db2.gz HNCSSJKAPOIAQS-ZACQAIPSSA-N 2 0 324.513 2.375 50 0 DEAARP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000241911260 402443766 /nfs/dbraw/zinc/44/37/66/402443766.db2.gz UBARUWKCJJNHSV-UHFFFAOYSA-N 2 0 324.513 2.378 50 0 DEAARP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000253426925 402665858 /nfs/dbraw/zinc/66/58/58/402665858.db2.gz BYBAUSKAUWDQAY-RDJZCZTQSA-N 2 0 321.440 2.233 50 0 DEAARP CC[NH2+]CC[C@@H]1CCC(=O)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299785940 403574485 /nfs/dbraw/zinc/57/44/85/403574485.db2.gz PBCAZEOOJYOSSJ-ZWKOTPCHSA-N 2 0 315.461 2.252 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000408519457 403824637 /nfs/dbraw/zinc/82/46/37/403824637.db2.gz OTUKEWUNTSGFME-QGZVFWFLSA-N 2 0 311.539 2.230 50 0 DEAARP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426361352 405354083 /nfs/dbraw/zinc/35/40/83/405354083.db2.gz RGGXYZDAQSZHTD-BTYMGIQYSA-N 2 0 314.429 2.276 50 0 DEAARP Cc1cc(N2CCC[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)CC2)cc[nH+]1 ZINC000248059999 533893930 /nfs/dbraw/zinc/89/39/30/533893930.db2.gz CWZYSUGNLKYBQP-CALCHBBNSA-N 3 0 302.466 2.420 50 0 DEAARP C[C@@H]1OC2(C[C@H]1[NH2+]C[C@@](C)(O)c1ccsc1)CC[NH+](C)CC2 ZINC000888099283 635547242 /nfs/dbraw/zinc/54/72/42/635547242.db2.gz YOYUFQYTBJVMIG-NUEKZKHPSA-N 2 0 324.490 2.187 50 0 DEAARP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000032590217 683878399 /nfs/dbraw/zinc/87/83/99/683878399.db2.gz SZTCTUALRPLRQM-MRXNPFEDSA-N 2 0 314.514 2.342 50 0 DEAARP Cc1cc(NCC[N@@H+]2CCC[C@@H](CO)C2)c2cc(F)ccc2[nH+]1 ZINC001529125962 1070869296 /nfs/dbraw/zinc/86/92/96/1070869296.db2.gz FHRHLMIQPRCEDR-CQSZACIVSA-N 2 0 317.408 2.220 50 0 DEAARP Cc1ccnc(N2CCN(c3cc(NCC4CC4)ncn3)CC2)c1 ZINC000119559053 401958745 /nfs/dbraw/zinc/95/87/45/401958745.db2.gz YZCXUCWWHLQSED-UHFFFAOYSA-N 2 0 324.432 2.329 50 0 DEAARP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCCN3C)c1 ZINC000215381903 402283066 /nfs/dbraw/zinc/28/30/66/402283066.db2.gz UBFRMNGQMLQTSY-UHFFFAOYSA-N 2 0 317.477 2.297 50 0 DEAARP [NH3+]C1CC(c2cc(NCCC[NH+]3CCCC3)nc(C3CC3)n2)C1 ZINC000222793229 402308660 /nfs/dbraw/zinc/30/86/60/402308660.db2.gz BLNHMHCYBXSPSB-UHFFFAOYSA-N 2 0 315.465 2.457 50 0 DEAARP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000252498787 402656504 /nfs/dbraw/zinc/65/65/04/402656504.db2.gz RLBIGAHYYACBKI-KRWDZBQOSA-N 2 0 324.513 2.236 50 0 DEAARP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000191356489 402663797 /nfs/dbraw/zinc/66/37/97/402663797.db2.gz YQHHRNBBGYJCTB-IAGOWNOFSA-N 2 0 319.424 2.130 50 0 DEAARP Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000426370949 405355306 /nfs/dbraw/zinc/35/53/06/405355306.db2.gz KHLYDVIPEIDFFT-ZDUSSCGKSA-N 2 0 313.445 2.499 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237682394 287272104 /nfs/dbraw/zinc/27/21/04/287272104.db2.gz PXDYQABZFYKPJG-OWCLPIDISA-N 2 0 309.498 2.473 50 0 DEAARP FC(F)(F)c1ccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cn1 ZINC000534670047 334319985 /nfs/dbraw/zinc/31/99/85/334319985.db2.gz FPQOXKFLZIRFAZ-UHFFFAOYSA-N 2 0 315.339 2.055 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000408525398 534160096 /nfs/dbraw/zinc/16/00/96/534160096.db2.gz BVUBXWNVUIDBEQ-SOLBZPMBSA-N 2 0 307.482 2.099 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000408525396 534163744 /nfs/dbraw/zinc/16/37/44/534163744.db2.gz BVUBXWNVUIDBEQ-JFIYKMOQSA-N 2 0 307.482 2.099 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000408519001 529042046 /nfs/dbraw/zinc/04/20/46/529042046.db2.gz QXLVQECSQCOTLA-LJQANCHMSA-N 2 0 316.493 2.287 50 0 DEAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000952989412 635195493 /nfs/dbraw/zinc/19/54/93/635195493.db2.gz RZMODAQYQFDWGT-UHFFFAOYSA-N 3 0 307.401 2.199 50 0 DEAARP COc1ccc(/C=C/C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cc1 ZINC000072172616 683928422 /nfs/dbraw/zinc/92/84/22/683928422.db2.gz LDXUAQUDDXKUMB-OQBYNLHGSA-N 2 0 318.461 2.487 50 0 DEAARP CCC[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC000089949406 185271179 /nfs/dbraw/zinc/27/11/79/185271179.db2.gz PLQHQRGYGJUPOC-QGZVFWFLSA-N 2 0 309.498 2.441 50 0 DEAARP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000095440120 185366033 /nfs/dbraw/zinc/36/60/33/185366033.db2.gz ZYSRDEFQIDRCQA-UHFFFAOYSA-N 2 0 320.330 2.391 50 0 DEAARP C[C@H](COc1ccccc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584890942 357326897 /nfs/dbraw/zinc/32/68/97/357326897.db2.gz ZJBUNKLUSKQGFK-MRXNPFEDSA-N 2 0 305.466 2.070 50 0 DEAARP Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000237723199 202340446 /nfs/dbraw/zinc/34/04/46/202340446.db2.gz QGHFUHLUFYEXLD-MRXNPFEDSA-N 2 0 317.433 2.160 50 0 DEAARP CC[N@@H+]1CCC[C@@H](CN2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000670457320 540936040 /nfs/dbraw/zinc/93/60/40/540936040.db2.gz VPIPLENMYNWEOI-GOSISDBHSA-N 2 0 317.477 2.242 50 0 DEAARP Cc1[nH+]c(N(C)C)nc(NC[C@]2([NH+](C)C)CCSC2)c1C ZINC000065466369 184350206 /nfs/dbraw/zinc/35/02/06/184350206.db2.gz OSLJMNYOLGRGBU-OAHLLOKOSA-N 2 0 309.483 2.009 50 0 DEAARP C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCC2)s1 ZINC000065508681 184356423 /nfs/dbraw/zinc/35/64/23/184356423.db2.gz FAKIQHYZJFHYKK-CYBMUJFWSA-N 2 0 307.463 2.054 50 0 DEAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3s2)CC1 ZINC000071870959 401689557 /nfs/dbraw/zinc/68/95/57/401689557.db2.gz KCQQHFIIGASNMP-CYBMUJFWSA-N 2 0 319.474 2.479 50 0 DEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013381828 401799569 /nfs/dbraw/zinc/79/95/69/401799569.db2.gz YPTJQGIRFIIISJ-DAYGRLMNSA-N 2 0 306.450 2.266 50 0 DEAARP CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011817603 401776703 /nfs/dbraw/zinc/77/67/03/401776703.db2.gz FLTYMHSTEWGZBY-HNNXBMFYSA-N 2 0 321.509 2.488 50 0 DEAARP CC(C)[N@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000095404590 402031910 /nfs/dbraw/zinc/03/19/10/402031910.db2.gz GCSLSOAMFLZTQA-ZXFUBFMLSA-N 2 0 322.497 2.174 50 0 DEAARP Fc1cccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)c1 ZINC000102635951 402169123 /nfs/dbraw/zinc/16/91/23/402169123.db2.gz CULCSKHOYIYAQC-FICVDOATSA-N 2 0 312.392 2.039 50 0 DEAARP CCOc1cccc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000069347348 402219049 /nfs/dbraw/zinc/21/90/49/402219049.db2.gz AQHTXHCDKCZSJH-OAHLLOKOSA-N 2 0 306.450 2.268 50 0 DEAARP COc1ccc(Cl)cc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069415286 402221875 /nfs/dbraw/zinc/22/18/75/402221875.db2.gz BZHXAMOVSGIXDE-UHFFFAOYSA-N 2 0 312.841 2.143 50 0 DEAARP [NH3+]C1CC(c2cc(N3CCC([NH+]4CCCCC4)CC3)ncn2)C1 ZINC000222921019 402309050 /nfs/dbraw/zinc/30/90/50/402309050.db2.gz NIQKJAQIGUYYFK-UHFFFAOYSA-N 2 0 315.465 2.136 50 0 DEAARP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000253426924 402665998 /nfs/dbraw/zinc/66/59/98/402665998.db2.gz BYBAUSKAUWDQAY-NVXWUHKLSA-N 2 0 321.440 2.233 50 0 DEAARP Cc1c[nH+]ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000192527306 402734811 /nfs/dbraw/zinc/73/48/11/402734811.db2.gz NMMWNHYQVIGUQO-UHFFFAOYSA-N 2 0 317.355 2.481 50 0 DEAARP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426361354 405354093 /nfs/dbraw/zinc/35/40/93/405354093.db2.gz RGGXYZDAQSZHTD-CMZRPVNOSA-N 2 0 314.429 2.276 50 0 DEAARP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000242346837 276236713 /nfs/dbraw/zinc/23/67/13/276236713.db2.gz ZJNQBZFTEUVJPA-GVDBMIGSSA-N 2 0 309.498 2.488 50 0 DEAARP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000179009723 277033391 /nfs/dbraw/zinc/03/33/91/277033391.db2.gz CQCZOFGVXAWFNA-QZTJIDSGSA-N 2 0 315.461 2.109 50 0 DEAARP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000225474213 282050185 /nfs/dbraw/zinc/05/01/85/282050185.db2.gz YKFWVNMJUQHJEM-QGZVFWFLSA-N 2 0 307.482 2.336 50 0 DEAARP COC[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccnn1C ZINC000067770428 640724456 /nfs/dbraw/zinc/72/44/56/640724456.db2.gz WBIVZXAQUYFTPB-OAHLLOKOSA-N 2 0 306.454 2.010 50 0 DEAARP Cc1nnc(NCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000823762272 1090697914 /nfs/dbraw/zinc/69/79/14/1090697914.db2.gz MSBYPKCIEHEPAW-UHFFFAOYSA-N 2 0 309.483 2.065 50 0 DEAARP c1c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)nn2c1C[NH2+]CCC2 ZINC000072158335 191061446 /nfs/dbraw/zinc/06/14/46/191061446.db2.gz BTOYRODTUBUQBA-QGZVFWFLSA-N 2 0 310.445 2.441 50 0 DEAARP C[NH+]1CCN(CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072313362 191119932 /nfs/dbraw/zinc/11/99/32/191119932.db2.gz XTGGBNIJKDFGNI-UHFFFAOYSA-N 2 0 315.383 2.433 50 0 DEAARP C[N@@H+]1CC[C@](C)(C(=O)N2CCC[NH+](C3CCCCC3)CC2)C1 ZINC000584884448 357325023 /nfs/dbraw/zinc/32/50/23/357325023.db2.gz UMQOZXFDIDJYOL-SFHVURJKSA-N 2 0 307.482 2.195 50 0 DEAARP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000065518875 184358769 /nfs/dbraw/zinc/35/87/69/184358769.db2.gz BTUQEBCQGUWNPZ-UHFFFAOYSA-N 2 0 315.465 2.146 50 0 DEAARP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000269238234 207365676 /nfs/dbraw/zinc/36/56/76/207365676.db2.gz OPCQVHPGJXTIQO-WBVHZDCISA-N 2 0 315.461 2.144 50 0 DEAARP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000084744509 401909932 /nfs/dbraw/zinc/90/99/32/401909932.db2.gz ZJNQBZFTEUVJPA-ZACQAIPSSA-N 2 0 309.498 2.488 50 0 DEAARP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3F)C2)CCCC1 ZINC000067473189 402160526 /nfs/dbraw/zinc/16/05/26/402160526.db2.gz FNZHDMAQKWNUKL-AWEZNQCLSA-N 2 0 319.424 2.035 50 0 DEAARP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3F)C2)CCCC1 ZINC000067473188 402160804 /nfs/dbraw/zinc/16/08/04/402160804.db2.gz FNZHDMAQKWNUKL-CQSZACIVSA-N 2 0 319.424 2.035 50 0 DEAARP CC[N@@H+]1CCC[C@@H]1CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067674265 402167343 /nfs/dbraw/zinc/16/73/43/402167343.db2.gz UUCAQIYSGDHTEV-OAHLLOKOSA-N 2 0 303.454 2.148 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000069518009 402228225 /nfs/dbraw/zinc/22/82/25/402228225.db2.gz OLHJEODFLZUOJW-ROUUACIJSA-N 2 0 321.509 2.440 50 0 DEAARP Cc1ccsc1[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000215687605 402284141 /nfs/dbraw/zinc/28/41/41/402284141.db2.gz OEPXHBSKGUKYSS-CQSZACIVSA-N 2 0 309.479 2.165 50 0 DEAARP COCC[N@@H+]1CC[C@@H](CN(C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702587 402284295 /nfs/dbraw/zinc/28/42/95/402284295.db2.gz IVTXAXOWVZOBMQ-AWEZNQCLSA-N 2 0 308.470 2.107 50 0 DEAARP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2([NH3+])CC2)C1 ZINC000237471709 287355791 /nfs/dbraw/zinc/35/57/91/287355791.db2.gz BVEFNGWNAWGPIT-CQSZACIVSA-N 2 0 301.434 2.026 50 0 DEAARP Cc1ccsc1[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000215687656 281510377 /nfs/dbraw/zinc/51/03/77/281510377.db2.gz OEPXHBSKGUKYSS-AWEZNQCLSA-N 2 0 309.479 2.165 50 0 DEAARP C[NH+]1CCC(Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000097038861 185401556 /nfs/dbraw/zinc/40/15/56/185401556.db2.gz LETNINGDEGXCPD-UHFFFAOYSA-N 2 0 304.438 2.061 50 0 DEAARP C[NH2+]C1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000237161101 202171397 /nfs/dbraw/zinc/17/13/97/202171397.db2.gz XYWOZPRLIIFVHU-UHFFFAOYSA-N 2 0 315.417 2.318 50 0 DEAARP CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000670453113 540935438 /nfs/dbraw/zinc/93/54/38/540935438.db2.gz JEHBCEJNXLMZSG-CYBMUJFWSA-N 2 0 306.410 2.210 50 0 DEAARP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+](C)C)CC2)c1 ZINC000020100418 182187106 /nfs/dbraw/zinc/18/71/06/182187106.db2.gz MTFJRXDTNLXLHZ-UHFFFAOYSA-N 2 0 317.477 2.275 50 0 DEAARP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365086 184109583 /nfs/dbraw/zinc/10/95/83/184109583.db2.gz LVHCEUJXVSPXEZ-ZBFHGGJFSA-N 2 0 321.440 2.104 50 0 DEAARP CCC[NH+]1CCC([NH2+]CCc2nc(-c3cccnc3)no2)CC1 ZINC000065407994 184339067 /nfs/dbraw/zinc/33/90/67/184339067.db2.gz FOZUACRLOHMCSJ-UHFFFAOYSA-N 2 0 315.421 2.138 50 0 DEAARP C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000095966296 402038166 /nfs/dbraw/zinc/03/81/66/402038166.db2.gz IPCUIUVGQKRVHP-HUUCEWRRSA-N 2 0 321.440 2.265 50 0 DEAARP OCc1cc(N2CC[NH+](CCCc3ccccc3)CC2)cc[nH+]1 ZINC000065395603 402124694 /nfs/dbraw/zinc/12/46/94/402124694.db2.gz ZUSUCWBTMPPCIO-UHFFFAOYSA-N 2 0 311.429 2.329 50 0 DEAARP c1ccc(CC[NH+]2CCC(C[NH2+][C@H]3CCCNC3)CC2)cc1 ZINC000067514916 402161812 /nfs/dbraw/zinc/16/18/12/402161812.db2.gz BNSHEZBDRGQPDZ-IBGZPJMESA-N 2 0 301.478 2.283 50 0 DEAARP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069927455 402251784 /nfs/dbraw/zinc/25/17/84/402251784.db2.gz WOPYBFLICZHGQA-SJLPKXTDSA-N 2 0 312.498 2.218 50 0 DEAARP Cc1cc(C[N@@H+]2CCC[C@H](CCNC(=O)C3([NH3+])CC3)C2)oc1C ZINC000071278993 402271884 /nfs/dbraw/zinc/27/18/84/402271884.db2.gz YXPDNFZMBNPDBD-OAHLLOKOSA-N 2 0 319.449 2.106 50 0 DEAARP CCN(C(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+])c1ccccc1 ZINC000244724239 402448611 /nfs/dbraw/zinc/44/86/11/402448611.db2.gz MQKJUFOQJJEATH-HWWDLCQESA-N 2 0 301.434 2.099 50 0 DEAARP C[C@@H](CC(=O)N(C)C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000095421275 274205868 /nfs/dbraw/zinc/20/58/68/274205868.db2.gz XMOXKASGYBHGNL-HNNXBMFYSA-N 2 0 309.498 2.488 50 0 DEAARP Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(N)[nH+]1 ZINC000052074447 280543241 /nfs/dbraw/zinc/54/32/41/280543241.db2.gz ASKBYHIEHCYWSR-UHFFFAOYSA-N 2 0 303.454 2.460 50 0 DEAARP CCC[NH+]1CCC(N2CCC([NH+]3CCSCC3)CC2)CC1 ZINC000020543244 683859391 /nfs/dbraw/zinc/85/93/91/683859391.db2.gz GDHZTGXKMIZSOB-UHFFFAOYSA-N 2 0 311.539 2.374 50 0 DEAARP Cc1c[nH+]c(C2CC2)n1CCNC(=O)C[NH+]1CCCCCC1 ZINC000581813010 784785119 /nfs/dbraw/zinc/78/51/19/784785119.db2.gz IEHKWRROWAHHDC-UHFFFAOYSA-N 2 0 304.438 2.061 50 0 DEAARP CCc1nccn1C[C@H](C)[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000823557087 1090688851 /nfs/dbraw/zinc/68/88/51/1090688851.db2.gz AXRGPOCYWUOXSH-HNNXBMFYSA-N 2 0 320.481 2.067 50 0 DEAARP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000084744506 401909435 /nfs/dbraw/zinc/90/94/35/401909435.db2.gz ZJNQBZFTEUVJPA-BBWFWOEESA-N 2 0 309.498 2.488 50 0 DEAARP CCOc1ccccc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069347312 402219129 /nfs/dbraw/zinc/21/91/29/402219129.db2.gz RFBHENJRFQYOHD-OAHLLOKOSA-N 2 0 306.450 2.268 50 0 DEAARP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000069489531 402226702 /nfs/dbraw/zinc/22/67/02/402226702.db2.gz DYDOXXJWBNPZGB-HZPDHXFCSA-N 2 0 303.450 2.403 50 0 DEAARP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069927453 402251763 /nfs/dbraw/zinc/25/17/63/402251763.db2.gz WOPYBFLICZHGQA-WMZOPIPTSA-N 2 0 312.498 2.218 50 0 DEAARP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000265901525 402960533 /nfs/dbraw/zinc/96/05/33/402960533.db2.gz VDQJEGBWWYRGJX-WMZOPIPTSA-N 2 0 315.461 2.204 50 0 DEAARP COCCC[N@@H+]1CC[C@@H](CNC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067817613 292353844 /nfs/dbraw/zinc/35/38/44/292353844.db2.gz YHPIAQKINYQSMQ-HNNXBMFYSA-N 2 0 311.514 2.244 50 0 DEAARP C[C@@H]1C[NH+](CCC2CC[NH+](CCn3ccnc3)CC2)C[C@@H](C)O1 ZINC000131636930 196185799 /nfs/dbraw/zinc/18/57/99/196185799.db2.gz QVMVDEPCYPZFMD-IAGOWNOFSA-N 2 0 320.481 2.094 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000408519121 534161218 /nfs/dbraw/zinc/16/12/18/534161218.db2.gz WCHAOGAUGXNGNM-RVKKMQEKSA-N 2 0 307.482 2.227 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000408525411 534164009 /nfs/dbraw/zinc/16/40/09/534164009.db2.gz KFPDKPIRUCUXBJ-HUUCEWRRSA-N 2 0 319.449 2.465 50 0 DEAARP CCNc1cc[nH+]c(CN2CC[N@H+](CCOC)[C@@H](CC)C2)c1 ZINC000089949228 185271234 /nfs/dbraw/zinc/27/12/34/185271234.db2.gz HKCBEWQVCNWUDM-KRWDZBQOSA-N 2 0 306.454 2.056 50 0 DEAARP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073574 401870066 /nfs/dbraw/zinc/87/00/66/401870066.db2.gz LZBROWLQSVWJMG-KGLIPLIRSA-N 2 0 309.454 2.070 50 0 DEAARP c1c(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)nc2n1CCS2 ZINC000067854930 402175574 /nfs/dbraw/zinc/17/55/74/402175574.db2.gz HRZRLTOVMJPOJW-UHFFFAOYSA-N 2 0 306.479 2.391 50 0 DEAARP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(OC)c1OC ZINC000067895987 402178263 /nfs/dbraw/zinc/17/82/63/402178263.db2.gz CLAUYBLBNLPNFH-UHFFFAOYSA-N 2 0 320.433 2.288 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2csc(-c3ccco3)n2)CC1 ZINC000069415333 402222233 /nfs/dbraw/zinc/22/22/33/402222233.db2.gz IUUJOXUHXIORTI-UHFFFAOYSA-N 2 0 321.446 2.197 50 0 DEAARP Cc1cccc(OCC[N@@H+](C)CC2CC[NH+](CCO)CC2)c1 ZINC000070036994 402255524 /nfs/dbraw/zinc/25/55/24/402255524.db2.gz CEDSCMLNKYNXQF-UHFFFAOYSA-N 2 0 306.450 2.010 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000269250902 403125434 /nfs/dbraw/zinc/12/54/34/403125434.db2.gz HAMNLXZONDXTFR-ZOBUZTSGSA-N 2 0 317.477 2.339 50 0 DEAARP Cc1c[nH+]ccc1NCC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000825253228 783621908 /nfs/dbraw/zinc/62/19/08/783621908.db2.gz BSROPSPQQSVUKQ-UHFFFAOYSA-N 2 0 314.433 2.071 50 0 DEAARP CC1(C)C[C@@H](C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)CCO1 ZINC000828605339 783828690 /nfs/dbraw/zinc/82/86/90/783828690.db2.gz MSUKMORDYYSQJJ-INIZCTEOSA-N 2 0 310.482 2.114 50 0 DEAARP [NH3+][C@H]1CCN(Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215149018 201453645 /nfs/dbraw/zinc/45/36/45/201453645.db2.gz AVPQVESUZZFIFK-KRWDZBQOSA-N 2 0 303.450 2.084 50 0 DEAARP COCC[NH+]1CCC(C[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000072154857 401703330 /nfs/dbraw/zinc/70/33/30/401703330.db2.gz XZHJFUHQSZYSAS-UHFFFAOYSA-N 2 0 310.482 2.237 50 0 DEAARP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)o1 ZINC000077356755 401812302 /nfs/dbraw/zinc/81/23/02/401812302.db2.gz DHKQOXYOIIUFOQ-MRXNPFEDSA-N 2 0 305.466 2.436 50 0 DEAARP CN1CCC[C@@]2(CC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1=O ZINC000067974613 402181794 /nfs/dbraw/zinc/18/17/94/402181794.db2.gz UOEIXEPQMUHDFP-IBGZPJMESA-N 2 0 319.493 2.243 50 0 DEAARP CC(C)=CC[N@@H+]1CCC[C@H](CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000067679248 402167314 /nfs/dbraw/zinc/16/73/14/402167314.db2.gz OFFUATREBOUNOA-MRXNPFEDSA-N 2 0 307.482 2.171 50 0 DEAARP CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000069415658 402222409 /nfs/dbraw/zinc/22/24/09/402222409.db2.gz YPNRWHRRXHITJY-UHFFFAOYSA-N 2 0 311.495 2.235 50 0 DEAARP CC1CC[NH+](CCN2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000107154799 402226800 /nfs/dbraw/zinc/22/68/00/402226800.db2.gz PHCVKXQNFPRCOR-GUDVDZBRSA-N 2 0 323.525 2.292 50 0 DEAARP CC1(C)CC([NH2+][C@@H]2CCOC[C@H]2OCC2CC2)CC(C)(C)[NH2+]1 ZINC000223035339 402309551 /nfs/dbraw/zinc/30/95/51/402309551.db2.gz XUGYXGRYZUQCHG-HZPDHXFCSA-N 2 0 310.482 2.469 50 0 DEAARP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000659991991 425709998 /nfs/dbraw/zinc/70/99/98/425709998.db2.gz DWUZBLWIBUZNHI-NXHRZFHOSA-N 2 0 315.461 2.107 50 0 DEAARP Cc1ccccc1[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000216373061 302129321 /nfs/dbraw/zinc/12/93/21/302129321.db2.gz ZVGITSDNPKONIS-QGZVFWFLSA-N 2 0 303.450 2.104 50 0 DEAARP Cc1nccn1CCC[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000244852592 634419146 /nfs/dbraw/zinc/41/91/46/634419146.db2.gz UVGQCSAEXOSHIL-UHFFFAOYSA-N 2 0 313.449 2.497 50 0 DEAARP CCC[NH+]1CCC2(C[N@H+](C)C[C@@H]2c2noc(C3CC3)n2)CC1 ZINC000097940989 635928421 /nfs/dbraw/zinc/92/84/21/635928421.db2.gz HNFIRGUOJNRPQM-CQSZACIVSA-N 2 0 304.438 2.468 50 0 DEAARP C[C@H]([NH2+]CC1(C)OCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272832787 210232001 /nfs/dbraw/zinc/23/20/01/210232001.db2.gz QGAFZECMVJBOEF-RDJZCZTQSA-N 2 0 304.434 2.250 50 0 DEAARP COc1ccc(F)cc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069876610 190832895 /nfs/dbraw/zinc/83/28/95/190832895.db2.gz RKRXOPZDVWFBFD-ZDUSSCGKSA-N 2 0 310.413 2.017 50 0 DEAARP Cc1ccc(OCCC[N@@H+](C)C[C@@]2(O)CCC[NH2+]C2)c(C)c1 ZINC000072432957 191163774 /nfs/dbraw/zinc/16/37/74/191163774.db2.gz TWBCTGQLZNJGKD-GOSISDBHSA-N 2 0 306.450 2.119 50 0 DEAARP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC000169783880 355982806 /nfs/dbraw/zinc/98/28/06/355982806.db2.gz XXNOMPOHRGOJKT-OAHLLOKOSA-N 2 0 303.450 2.074 50 0 DEAARP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000584907709 540255518 /nfs/dbraw/zinc/25/55/18/540255518.db2.gz KCUHULZTYZKEGF-HOTGVXAUSA-N 2 0 303.450 2.060 50 0 DEAARP CC(C)c1ccc(C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000058023036 184069213 /nfs/dbraw/zinc/06/92/13/184069213.db2.gz AQJFVCLUGMLYIF-UHFFFAOYSA-N 2 0 317.477 2.487 50 0 DEAARP CCc1nn(C)c(OC)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000121046628 195286577 /nfs/dbraw/zinc/28/65/77/195286577.db2.gz WHMVUFWHWDHQBQ-AGUYFDCRSA-N 2 0 306.454 2.096 50 0 DEAARP c1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000096003297 402045617 /nfs/dbraw/zinc/04/56/17/402045617.db2.gz ZYYAPABIJBJNAV-UHFFFAOYSA-N 2 0 309.479 2.468 50 0 DEAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCCn3ccnc3)cc2)CC1 ZINC000097743151 402131781 /nfs/dbraw/zinc/13/17/81/402131781.db2.gz CBRUTJOETTWURT-QGZVFWFLSA-N 2 0 314.433 2.275 50 0 DEAARP COCC[N@@H+]1CC[C@H](CN(C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000215702635 402284499 /nfs/dbraw/zinc/28/44/99/402284499.db2.gz IVTXAXOWVZOBMQ-CQSZACIVSA-N 2 0 308.470 2.107 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236715251 402377279 /nfs/dbraw/zinc/37/72/79/402377279.db2.gz IKMRZSRACLELKB-SZMVWBNQSA-N 2 0 317.477 2.481 50 0 DEAARP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192744065 402747338 /nfs/dbraw/zinc/74/73/38/402747338.db2.gz CHESMUBNGVMFBO-QZTJIDSGSA-N 2 0 311.514 2.028 50 0 DEAARP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000426503629 405365409 /nfs/dbraw/zinc/36/54/09/405365409.db2.gz WXQKTQMBTNDUGY-LLVKDONJSA-N 2 0 302.344 2.365 50 0 DEAARP CC(C)CCN1CC2(CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479881 277353832 /nfs/dbraw/zinc/35/38/32/277353832.db2.gz SKJYLNKCQOVJCK-INIZCTEOSA-N 2 0 323.481 2.319 50 0 DEAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000215296084 289147401 /nfs/dbraw/zinc/14/74/01/289147401.db2.gz ULMNUYHRUSVAAH-SFHVURJKSA-N 2 0 317.477 2.451 50 0 DEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]C2CC2)cc1OC ZINC000011842430 636002381 /nfs/dbraw/zinc/00/23/81/636002381.db2.gz DHBWZYVBUUWDMT-MRXNPFEDSA-N 2 0 322.449 2.029 50 0 DEAARP CC1(C)C[C@H](C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)CCO1 ZINC000828605341 783827698 /nfs/dbraw/zinc/82/76/98/783827698.db2.gz MSUKMORDYYSQJJ-MRXNPFEDSA-N 2 0 310.482 2.114 50 0 DEAARP O=C(C[NH+]1CCCCCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000952979351 792844448 /nfs/dbraw/zinc/84/44/48/792844448.db2.gz UPQKVVXIRUXRAZ-SFHVURJKSA-N 2 0 315.461 2.253 50 0 DEAARP COCC[NH+]1CCC(C[N@H+](C)C2CSCCSC2)CC1 ZINC001506397024 1061935017 /nfs/dbraw/zinc/93/50/17/1061935017.db2.gz PVDHYPWRDPXAJF-UHFFFAOYSA-N 2 0 318.552 2.125 50 0 DEAARP C[N@@H+]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000022455783 354054281 /nfs/dbraw/zinc/05/42/81/354054281.db2.gz ZMCHFDPGPGXQDX-UHFFFAOYSA-N 2 0 301.478 2.331 50 0 DEAARP C[C@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237638722 291059868 /nfs/dbraw/zinc/05/98/68/291059868.db2.gz UEDMXQBUJRLGCJ-RDJZCZTQSA-N 2 0 303.450 2.237 50 0 DEAARP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1(N2CCOCC2)CCCC1 ZINC000097101750 355702289 /nfs/dbraw/zinc/70/22/89/355702289.db2.gz KXKQVNNSHDEDTM-SJORKVTESA-N 2 0 309.498 2.094 50 0 DEAARP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000230462557 356283525 /nfs/dbraw/zinc/28/35/25/356283525.db2.gz VMJCSMOZRRTJSA-NJAFHUGGSA-N 2 0 313.445 2.162 50 0 DEAARP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000230462481 356283846 /nfs/dbraw/zinc/28/38/46/356283846.db2.gz VMJCSMOZRRTJSA-NXHRZFHOSA-N 2 0 313.445 2.162 50 0 DEAARP Cc1c[nH+]ccc1NCCNC(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000095354907 193427919 /nfs/dbraw/zinc/42/79/19/193427919.db2.gz OIHPXAIMVFOGGD-OAHLLOKOSA-N 2 0 304.438 2.040 50 0 DEAARP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365082 184109454 /nfs/dbraw/zinc/10/94/54/184109454.db2.gz LVHCEUJXVSPXEZ-HOCLYGCPSA-N 2 0 321.440 2.104 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269253285 207393091 /nfs/dbraw/zinc/39/30/91/207393091.db2.gz IKMRZSRACLELKB-NXHRZFHOSA-N 2 0 317.477 2.481 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237683283 257238525 /nfs/dbraw/zinc/23/85/25/257238525.db2.gz BVUBXWNVUIDBEQ-RYRKJORJSA-N 2 0 307.482 2.099 50 0 DEAARP c1cc[n+](Cc2ccc(C[n+]3ccccc3)c3nsnc32)cc1 ZINC000000281767 401693540 /nfs/dbraw/zinc/69/35/40/401693540.db2.gz FUTJRXDPRMYQET-UHFFFAOYSA-N 2 0 320.421 2.363 50 0 DEAARP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccnc2)CC1 ZINC000096453989 402091023 /nfs/dbraw/zinc/09/10/23/402091023.db2.gz NMRPXOPMMNFQOA-UHFFFAOYSA-N 2 0 311.429 2.328 50 0 DEAARP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000096477162 402093435 /nfs/dbraw/zinc/09/34/35/402093435.db2.gz JIHXQKQUIAKBMR-OAHLLOKOSA-N 2 0 319.449 2.094 50 0 DEAARP CC[N@@H+]1CC[C@H](N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000252587283 402659232 /nfs/dbraw/zinc/65/92/32/402659232.db2.gz WZGOYEPMPBYMMJ-QCSYZSNVSA-N 2 0 305.441 2.283 50 0 DEAARP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000129736340 289698561 /nfs/dbraw/zinc/69/85/61/289698561.db2.gz FWWXLTBXBJDAAY-RDBSUJKOSA-N 2 0 307.404 2.333 50 0 DEAARP CC[N@@H+]1CCC[C@@H]1CN1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC001506415678 1061960401 /nfs/dbraw/zinc/96/04/01/1061960401.db2.gz ZIIVLQHICRHCQS-QGZVFWFLSA-N 2 0 302.466 2.305 50 0 DEAARP C[NH+](C)CC[C@H]1CCCCN1C(=O)C[NH2+]Cc1ccccc1 ZINC000072454342 191171529 /nfs/dbraw/zinc/17/15/29/191171529.db2.gz MRDREJPAUREMHK-QGZVFWFLSA-N 2 0 303.450 2.109 50 0 DEAARP Cc1noc(CC[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)n1 ZINC000097095427 355701040 /nfs/dbraw/zinc/70/10/40/355701040.db2.gz AUKORDGPVITEPL-PBHICJAKSA-N 2 0 314.433 2.421 50 0 DEAARP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000194884645 356246739 /nfs/dbraw/zinc/24/67/39/356246739.db2.gz CMRBIFUJNTUGED-MAUKXSAKSA-N 2 0 317.477 2.298 50 0 DEAARP O=C(CCC[NH+]1CCCC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000584898555 357330937 /nfs/dbraw/zinc/33/09/37/357330937.db2.gz BAEYJYMHPHSQIE-UHFFFAOYSA-N 2 0 307.482 2.197 50 0 DEAARP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237378365 202249010 /nfs/dbraw/zinc/24/90/10/202249010.db2.gz HUJGRTKIOVSDRZ-GDBMZVCRSA-N 2 0 303.450 2.235 50 0 DEAARP C[NH+](C)CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000193683699 201102644 /nfs/dbraw/zinc/10/26/44/201102644.db2.gz KZXKOZNBXXLMPK-UHFFFAOYSA-N 2 0 304.438 2.306 50 0 DEAARP CC[N@@H+]1CCC[C@@H](CN2CCC([NH+]3CCSCC3)CC2)C1 ZINC000019790121 182149266 /nfs/dbraw/zinc/14/92/66/182149266.db2.gz DSAMRWASCVTBDR-MRXNPFEDSA-N 2 0 311.539 2.232 50 0 DEAARP C[N@H+](CCCNc1cc(C2CC([NH3+])C2)ncn1)C1CCCC1 ZINC000219927212 402300190 /nfs/dbraw/zinc/30/01/90/402300190.db2.gz KLKLOBVXUBBAIK-UHFFFAOYSA-N 2 0 303.454 2.358 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000170607508 402506977 /nfs/dbraw/zinc/50/69/77/402506977.db2.gz JOZHSXMZDMLPDH-KRWDZBQOSA-N 2 0 304.482 2.491 50 0 DEAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)c1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244605610 424886063 /nfs/dbraw/zinc/88/60/63/424886063.db2.gz FBSOYMFTRXGIHC-JCNLHEQBSA-N 2 0 323.444 2.263 50 0 DEAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000299739546 290391281 /nfs/dbraw/zinc/39/12/81/290391281.db2.gz PXDYQABZFYKPJG-ARFHVFGLSA-N 2 0 309.498 2.473 50 0 DEAARP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CC1 ZINC000237519252 290393410 /nfs/dbraw/zinc/39/34/10/290393410.db2.gz SUTBCZXHPSRULT-AWEZNQCLSA-N 2 0 301.434 2.169 50 0 DEAARP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[NH+](C)C1CC1)CC2 ZINC000252476888 529112359 /nfs/dbraw/zinc/11/23/59/529112359.db2.gz DGBGFZJDXACSCU-UAGQMJEPSA-N 2 0 322.497 2.126 50 0 DEAARP CCc1nccn1C[C@@H](C)[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000823557089 1090689109 /nfs/dbraw/zinc/68/91/09/1090689109.db2.gz AXRGPOCYWUOXSH-OAHLLOKOSA-N 2 0 320.481 2.067 50 0 DEAARP O=C(CC[NH+]1CCCCCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000063869402 190700961 /nfs/dbraw/zinc/70/09/61/190700961.db2.gz CFXWJHTYYBYFOE-KRWDZBQOSA-N 2 0 307.482 2.339 50 0 DEAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1scnc1C)CC2 ZINC000169789843 355984145 /nfs/dbraw/zinc/98/41/45/355984145.db2.gz WJTKFHUJLDSSCO-CQSZACIVSA-N 2 0 309.479 2.242 50 0 DEAARP C[C@@H](COc1ccccc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584890941 357327037 /nfs/dbraw/zinc/32/70/37/357327037.db2.gz ZJBUNKLUSKQGFK-INIZCTEOSA-N 2 0 305.466 2.070 50 0 DEAARP CC[N@@H+]1CCC[C@H](CN2CCC([NH+]3CCSCC3)CC2)C1 ZINC000019790122 182149378 /nfs/dbraw/zinc/14/93/78/182149378.db2.gz DSAMRWASCVTBDR-INIZCTEOSA-N 2 0 311.539 2.232 50 0 DEAARP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000262771770 145304448 /nfs/dbraw/zinc/30/44/48/145304448.db2.gz HZAQMXMRRLZVJZ-MRXNPFEDSA-N 2 0 301.390 2.292 50 0 DEAARP CN(Cc1ccccc1C[NH+]1CCCC1)c1cc(C[NH3+])ncn1 ZINC000067920028 402178631 /nfs/dbraw/zinc/17/86/31/402178631.db2.gz VBGMXXFYQYNYQS-UHFFFAOYSA-N 2 0 311.433 2.168 50 0 DEAARP CC(C)C[NH+]1CCC([NH2+]CCC(=O)N2CCC(C)CC2)CC1 ZINC000067886578 402177297 /nfs/dbraw/zinc/17/72/97/402177297.db2.gz YVNMFNGQGCRLJL-UHFFFAOYSA-N 2 0 309.498 2.345 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000069415276 402221867 /nfs/dbraw/zinc/22/18/67/402221867.db2.gz CFGYLZPEONSHFF-UHFFFAOYSA-N 2 0 300.805 2.273 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000069392257 402221972 /nfs/dbraw/zinc/22/19/72/402221972.db2.gz OPAVRUMPXQAOPC-UHFFFAOYSA-N 2 0 316.367 2.499 50 0 DEAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccccc2F)CC1 ZINC000222902465 402308679 /nfs/dbraw/zinc/30/86/79/402308679.db2.gz AJJHMZWGNWMHAU-UHFFFAOYSA-N 2 0 306.425 2.496 50 0 DEAARP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[S@@](C)=O ZINC000242288009 402444821 /nfs/dbraw/zinc/44/48/21/402444821.db2.gz YKJKJNVLTQDINM-SUVVTNLASA-N 2 0 300.512 2.386 50 0 DEAARP [NH3+]CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000178832533 402544784 /nfs/dbraw/zinc/54/47/84/402544784.db2.gz UEZJUOQQAGCIRJ-UHFFFAOYSA-N 2 0 315.461 2.383 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000269498424 403143984 /nfs/dbraw/zinc/14/39/84/403143984.db2.gz KWQDCMHAIUAIRC-PVAVHDDUSA-N 2 0 303.450 2.265 50 0 DEAARP C[C@@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)CCCc1nccn1C ZINC000299764396 403568141 /nfs/dbraw/zinc/56/81/41/403568141.db2.gz SIYPXKTWCWYLIZ-ZDUSSCGKSA-N 2 0 318.396 2.451 50 0 DEAARP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000585121252 405872783 /nfs/dbraw/zinc/87/27/83/405872783.db2.gz KCUHULZTYZKEGF-HZPDHXFCSA-N 2 0 303.450 2.060 50 0 DEAARP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000032590215 683878345 /nfs/dbraw/zinc/87/83/45/683878345.db2.gz SZTCTUALRPLRQM-INIZCTEOSA-N 2 0 314.514 2.342 50 0 DEAARP CN1C[C@]2(C)C[N@H+](CCC(=O)Nc3cccc(F)c3)C[C@]2(C)C1 ZINC000863950329 686599560 /nfs/dbraw/zinc/59/95/60/686599560.db2.gz MQVNZLGBQBISTG-HDICACEKSA-N 2 0 319.424 2.428 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000827832296 783693430 /nfs/dbraw/zinc/69/34/30/783693430.db2.gz UKEUZQHCXBNDSJ-OAHLLOKOSA-N 2 0 307.482 2.099 50 0 DEAARP COCC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000952991174 792878157 /nfs/dbraw/zinc/87/81/57/792878157.db2.gz PNOBZODFQYHHNT-KRWDZBQOSA-N 2 0 306.450 2.452 50 0 DEAARP O=C(NCC12CCC[NH+]1CCC2)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072151248 191055970 /nfs/dbraw/zinc/05/59/70/191055970.db2.gz RTTCCRKGFNYOJK-KRWDZBQOSA-N 2 0 313.445 2.122 50 0 DEAARP CCN(Cc1ccccc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072426018 191160299 /nfs/dbraw/zinc/16/02/99/191160299.db2.gz JZGGCKOBYWIWOE-QGZVFWFLSA-N 2 0 315.461 2.109 50 0 DEAARP CN1CC[N@H+](C)C[C@H]1CC[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000039557647 354169205 /nfs/dbraw/zinc/16/92/05/354169205.db2.gz CWUVXNOWKCDEGI-FUHWJXTLSA-N 2 0 305.441 2.251 50 0 DEAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCC[NH2+]Cc1ccccc1)C2 ZINC000067726547 283260963 /nfs/dbraw/zinc/26/09/63/283260963.db2.gz GTQMQFQINPABOA-ZWKOTPCHSA-N 2 0 315.461 2.252 50 0 DEAARP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178956945 198960567 /nfs/dbraw/zinc/96/05/67/198960567.db2.gz IRYYMANXKWOKDT-FUHWJXTLSA-N 2 0 315.461 2.014 50 0 DEAARP C[NH2+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000179001042 198966749 /nfs/dbraw/zinc/96/67/49/198966749.db2.gz GVMFEIZNAYDULO-ZDUSSCGKSA-N 2 0 315.417 2.176 50 0 DEAARP C[C@H]1C[C@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560629 202282276 /nfs/dbraw/zinc/28/22/76/202282276.db2.gz RYTMEIJXRIKBHL-MAUKXSAKSA-N 2 0 315.461 2.250 50 0 DEAARP C[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)[C@H]1C[NH3+] ZINC000237644414 202315287 /nfs/dbraw/zinc/31/52/87/202315287.db2.gz BNUQVIBGXIHXIS-YOEHRIQHSA-N 2 0 312.417 2.131 50 0 DEAARP Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000237717201 202336448 /nfs/dbraw/zinc/33/64/48/202336448.db2.gz QGHFUHLUFYEXLD-INIZCTEOSA-N 2 0 317.433 2.160 50 0 DEAARP CC(C)(C)c1ccc(CCC[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000020149992 182192469 /nfs/dbraw/zinc/19/24/69/182192469.db2.gz CPSHDGSGNMQQSO-UHFFFAOYSA-N 2 0 303.494 2.412 50 0 DEAARP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000058365076 184109595 /nfs/dbraw/zinc/10/95/95/184109595.db2.gz LVHCEUJXVSPXEZ-GOEBONIOSA-N 2 0 321.440 2.104 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000262701719 145300633 /nfs/dbraw/zinc/30/06/33/145300633.db2.gz ILGHNEHEIMEILG-HZPDHXFCSA-N 2 0 307.482 2.099 50 0 DEAARP COc1cc(CN2CCOCC2)ccc1OCC[NH+]1CCCC1 ZINC000215964470 402285656 /nfs/dbraw/zinc/28/56/56/402285656.db2.gz WCDHNUJMTMMMMF-UHFFFAOYSA-N 2 0 320.433 2.002 50 0 DEAARP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(N)=O ZINC000229663271 402344747 /nfs/dbraw/zinc/34/47/47/402344747.db2.gz DMHJUSWQVZIRRT-PBHICJAKSA-N 2 0 303.450 2.272 50 0 DEAARP CCC1=NO[C@H](C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC000244874233 402451163 /nfs/dbraw/zinc/45/11/63/402451163.db2.gz WWZHUUSBLXTPKG-KRWDZBQOSA-N 2 0 302.422 2.457 50 0 DEAARP C[C@@H]1SCC[C@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000252585278 402659210 /nfs/dbraw/zinc/65/92/10/402659210.db2.gz HMNLOTXZTWPMAH-CGTJXYLNSA-N 2 0 319.518 2.459 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000058458906 277382878 /nfs/dbraw/zinc/38/28/78/277382878.db2.gz AYOOPKXBAWXZEO-MRXNPFEDSA-N 2 0 309.498 2.345 50 0 DEAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000069347478 279564175 /nfs/dbraw/zinc/56/41/75/279564175.db2.gz UHKKMWPXMQHJKA-HNNXBMFYSA-N 2 0 316.445 2.145 50 0 DEAARP Cc1ccnc(N2CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC000065535978 683924163 /nfs/dbraw/zinc/92/41/63/683924163.db2.gz NQNLWVWZDAVFKG-UHFFFAOYSA-N 2 0 302.466 2.244 50 0 DEAARP C[NH+](C)C1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252487321 539784621 /nfs/dbraw/zinc/78/46/21/539784621.db2.gz VLFKBJYQSRUVMU-WMZOPIPTSA-N 3 0 322.541 2.007 50 0 DEAARP CN1CC2(CC1=O)CC[NH+](Cc1cc(C[NH+](C)C)cs1)CC2 ZINC000072412065 191155984 /nfs/dbraw/zinc/15/59/84/191155984.db2.gz YDZSROOVHMTJQY-UHFFFAOYSA-N 2 0 321.490 2.254 50 0 DEAARP COC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC12CC[NH2+]CC2 ZINC000169789794 355983976 /nfs/dbraw/zinc/98/39/76/355983976.db2.gz XPEMOCLABUHVBZ-CQSZACIVSA-N 2 0 310.388 2.413 50 0 DEAARP CC1(C)CC([NH2+]C[C@@H](O)COCc2ccco2)CC(C)(C)[NH2+]1 ZINC000007982416 401746368 /nfs/dbraw/zinc/74/63/68/401746368.db2.gz LKSBPRBTIMUPEO-CQSZACIVSA-N 2 0 310.438 2.056 50 0 DEAARP CC[C@@H]1Oc2ccc([C@@H](C)[NH3+])cc2N(CCC[NH+](C)C)C1=O ZINC000033502593 401891107 /nfs/dbraw/zinc/89/11/07/401891107.db2.gz CWJLRYRXRQNQBL-DOMZBBRYSA-N 2 0 305.422 2.162 50 0 DEAARP COCC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000089694590 401957979 /nfs/dbraw/zinc/95/79/79/401957979.db2.gz BVQZVNGKTUEZHP-UHFFFAOYSA-N 2 0 308.470 2.155 50 0 DEAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000095968942 402038621 /nfs/dbraw/zinc/03/86/21/402038621.db2.gz HMYGFWJZYOUHTE-GOSISDBHSA-N 2 0 305.441 2.429 50 0 DEAARP CCCOCC[NH+]1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055167098 402077027 /nfs/dbraw/zinc/07/70/27/402077027.db2.gz NDWQZIWAKSAHOH-RBUKOAKNSA-N 2 0 323.525 2.295 50 0 DEAARP c1cc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000096484321 402094665 /nfs/dbraw/zinc/09/46/65/402094665.db2.gz TZNLCWQNZVXJKX-ZIAGYGMSSA-N 2 0 304.390 2.011 50 0 DEAARP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000067540832 402161736 /nfs/dbraw/zinc/16/17/36/402161736.db2.gz FYRSSLUWBHZFED-UHFFFAOYSA-N 2 0 313.449 2.477 50 0 DEAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1ccc(CC[NH3+])cc1 ZINC000534587777 334292665 /nfs/dbraw/zinc/29/26/65/334292665.db2.gz JPELYAQHJHYSKW-UHFFFAOYSA-N 2 0 323.440 2.405 50 0 DEAARP OC[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952982127 792859983 /nfs/dbraw/zinc/85/99/83/792859983.db2.gz FNICMRFRVYYHFH-GOSISDBHSA-N 3 0 323.525 2.125 50 0 DEAARP Cc1cc(NCCC[N@@H+]2CCC[C@@H](O)C2)c2cc(F)ccc2[nH+]1 ZINC001529113783 1070863391 /nfs/dbraw/zinc/86/33/91/1070863391.db2.gz ITLIMYLAWPVMJP-OAHLLOKOSA-N 2 0 317.408 2.363 50 0 DEAARP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000079480583 185173297 /nfs/dbraw/zinc/17/32/97/185173297.db2.gz FJUQBIAIBHOLBK-UHFFFAOYSA-N 2 0 319.449 2.063 50 0 DEAARP C[C@@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237465734 186293914 /nfs/dbraw/zinc/29/39/14/186293914.db2.gz UEDMXQBUJRLGCJ-WBVHZDCISA-N 2 0 303.450 2.237 50 0 DEAARP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237638593 202314598 /nfs/dbraw/zinc/31/45/98/202314598.db2.gz HUJGRTKIOVSDRZ-HOCLYGCPSA-N 2 0 303.450 2.235 50 0 DEAARP O=C(NCC12CCC[NH+]1CCC2)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072153885 295634513 /nfs/dbraw/zinc/63/45/13/295634513.db2.gz SFXBAULGTRVHLF-HNNXBMFYSA-N 2 0 313.445 2.122 50 0 DEAARP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000067678959 402167250 /nfs/dbraw/zinc/16/72/50/402167250.db2.gz LVUCOKDIBKSKEF-INIZCTEOSA-N 2 0 321.509 2.488 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000069518011 402228235 /nfs/dbraw/zinc/22/82/35/402228235.db2.gz OLHJEODFLZUOJW-QZTJIDSGSA-N 2 0 321.509 2.440 50 0 DEAARP CC(=O)N[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000215658108 402284230 /nfs/dbraw/zinc/28/42/30/402284230.db2.gz PSPQTDRGBBDLEB-OAHLLOKOSA-N 2 0 321.490 2.444 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000269250901 403125399 /nfs/dbraw/zinc/12/53/99/403125399.db2.gz HAMNLXZONDXTFR-INMHGKMJSA-N 2 0 317.477 2.339 50 0 DEAARP [NH3+]C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000295104341 403761249 /nfs/dbraw/zinc/76/12/49/403761249.db2.gz VIXRGRPTMUFXHO-QWFCFKBJSA-N 2 0 323.440 2.346 50 0 DEAARP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000129735938 279349475 /nfs/dbraw/zinc/34/94/75/279349475.db2.gz FWWXLTBXBJDAAY-HZSPNIEDSA-N 2 0 307.404 2.333 50 0 DEAARP COc1ccc(C[C@H]2C[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)CCO2)cc1 ZINC000244795201 533807695 /nfs/dbraw/zinc/80/76/95/533807695.db2.gz RBKRWNGWHCKOSR-SCTDSRPQSA-N 2 0 318.461 2.456 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000240668503 527822955 /nfs/dbraw/zinc/82/29/55/527822955.db2.gz HNCSSJKAPOIAQS-BBWFWOEESA-N 2 0 324.513 2.375 50 0 DEAARP CC[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000022455552 624146890 /nfs/dbraw/zinc/14/68/90/624146890.db2.gz UNBVNDGGUHMRAS-UHFFFAOYSA-N 2 0 301.478 2.331 50 0 DEAARP O[C@H]1CC[N@H+](C[C@H]2CCC[NH+](CCCc3ccccc3)C2)C1 ZINC000585133482 790330410 /nfs/dbraw/zinc/33/04/10/790330410.db2.gz JLLWOPMDPDTAFK-OALUTQOASA-N 2 0 302.462 2.398 50 0 DEAARP Cc1c[nH+]ccc1NCC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000826588690 783652947 /nfs/dbraw/zinc/65/29/47/783652947.db2.gz WJVVYQMOTIZQBJ-INIZCTEOSA-N 2 0 314.408 2.231 50 0 DEAARP c1c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)nn2c1C[NH2+]CCC2 ZINC000072158334 191061282 /nfs/dbraw/zinc/06/12/82/191061282.db2.gz BTOYRODTUBUQBA-KRWDZBQOSA-N 2 0 310.445 2.441 50 0 DEAARP C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000169750478 355979998 /nfs/dbraw/zinc/97/99/98/355979998.db2.gz JPWLFIWZLWTLPW-KRWDZBQOSA-N 2 0 313.445 2.304 50 0 DEAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000093564915 193269124 /nfs/dbraw/zinc/26/91/24/193269124.db2.gz RDPUWCWFSFLPBT-UHFFFAOYSA-N 2 0 321.440 2.024 50 0 DEAARP CC[NH+]1CCN(C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000019888823 182160658 /nfs/dbraw/zinc/16/06/58/182160658.db2.gz RZBTVJVBJOAOIW-UHFFFAOYSA-N 2 0 317.477 2.297 50 0 DEAARP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000269238233 207365566 /nfs/dbraw/zinc/36/55/66/207365566.db2.gz OPCQVHPGJXTIQO-RDJZCZTQSA-N 2 0 315.461 2.144 50 0 DEAARP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158255764 197256745 /nfs/dbraw/zinc/25/67/45/197256745.db2.gz ACMXPVDWAPBXFJ-GFCCVEGCSA-N 2 0 301.390 2.058 50 0 DEAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(C)c2)CC1 ZINC000072667183 401711508 /nfs/dbraw/zinc/71/15/08/401711508.db2.gz RIBDIHMQTTXETK-INIZCTEOSA-N 2 0 317.477 2.446 50 0 DEAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089595012 401953663 /nfs/dbraw/zinc/95/36/63/401953663.db2.gz VCASDZHAFUFHEY-KZNAEPCWSA-N 2 0 323.525 2.340 50 0 DEAARP Cc1cc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000095356057 402026840 /nfs/dbraw/zinc/02/68/40/402026840.db2.gz OAPIFVITZUPAPE-IAGOWNOFSA-N 2 0 323.444 2.468 50 0 DEAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCOC2)CC1 ZINC000095967701 402038600 /nfs/dbraw/zinc/03/86/00/402038600.db2.gz BJFQCHTWHAXRMT-GDBMZVCRSA-N 2 0 321.440 2.407 50 0 DEAARP C[NH+](C)Cc1csc(C[N@H+](C)CCN2CCCCC2=O)c1 ZINC000097088223 402105894 /nfs/dbraw/zinc/10/58/94/402105894.db2.gz NIRJVRSGTGMSLW-UHFFFAOYSA-N 2 0 309.479 2.254 50 0 DEAARP C[NH+]1CCN(CCC[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000097235675 402119429 /nfs/dbraw/zinc/11/94/29/402119429.db2.gz ZWDGGPWWWNHNED-UHFFFAOYSA-N 2 0 309.498 2.049 50 0 DEAARP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(N)=O ZINC000229663262 402344468 /nfs/dbraw/zinc/34/44/68/402344468.db2.gz DMHJUSWQVZIRRT-RHSMWYFYSA-N 2 0 303.450 2.272 50 0 DEAARP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000179009710 402564798 /nfs/dbraw/zinc/56/47/98/402564798.db2.gz CQCZOFGVXAWFNA-MSOLQXFVSA-N 2 0 315.461 2.109 50 0 DEAARP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000252498788 402656359 /nfs/dbraw/zinc/65/63/59/402656359.db2.gz RLBIGAHYYACBKI-QGZVFWFLSA-N 2 0 324.513 2.236 50 0 DEAARP C[N@@H+]1CC[C@]2(C1)CCCN([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523632 403824586 /nfs/dbraw/zinc/82/45/86/403824586.db2.gz LXPCWYRUDZWTGZ-HKUYNNGSSA-N 2 0 313.445 2.210 50 0 DEAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000069347479 278395846 /nfs/dbraw/zinc/39/58/46/278395846.db2.gz UHKKMWPXMQHJKA-OAHLLOKOSA-N 2 0 316.445 2.145 50 0 DEAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129788451 298620590 /nfs/dbraw/zinc/62/05/90/298620590.db2.gz TWINCWVESVIWMJ-RDBSUJKOSA-N 2 0 307.404 2.333 50 0 DEAARP Cn1c2ccccc2nc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102855727 625084406 /nfs/dbraw/zinc/08/44/06/625084406.db2.gz WNCUHTDMMPANSN-ZSHCYNCHSA-N 2 0 310.445 2.218 50 0 DEAARP CC[N@@H+]1CC[C@@H](CN2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001506399782 1061940519 /nfs/dbraw/zinc/94/05/19/1061940519.db2.gz IQVRFQBIBWCRJQ-LJQANCHMSA-N 2 0 301.478 2.189 50 0 DEAARP O[C@@]1(C[N@H+](CCc2ccccc2)Cc2ccccc2)CC[NH2+]C1 ZINC000077340312 191696219 /nfs/dbraw/zinc/69/62/19/191696219.db2.gz UFJWSWPVSZGXAB-FQEVSTJZSA-N 2 0 310.441 2.456 50 0 DEAARP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCO1 ZINC000195568968 356257817 /nfs/dbraw/zinc/25/78/17/356257817.db2.gz IQKZBDXEEZCGAL-RDJZCZTQSA-N 2 0 304.434 2.250 50 0 DEAARP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccnn3C)CC2)C[C@H](C)O1 ZINC000093844383 193317868 /nfs/dbraw/zinc/31/78/68/193317868.db2.gz IWQRFFIXYVONOK-HOTGVXAUSA-N 2 0 320.481 2.131 50 0 DEAARP Cc1[nH+]c(N(C)C)nc(NC[C@@]2([NH+](C)C)CCSC2)c1C ZINC000065466374 184350155 /nfs/dbraw/zinc/35/01/55/184350155.db2.gz OSLJMNYOLGRGBU-HNNXBMFYSA-N 2 0 309.483 2.009 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000262665963 257237937 /nfs/dbraw/zinc/23/79/37/257237937.db2.gz JVFQGIOSLSSAAS-ZOBUZTSGSA-N 2 0 309.498 2.201 50 0 DEAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000012443680 401786563 /nfs/dbraw/zinc/78/65/63/401786563.db2.gz NKSGUBNSCXUYEB-HNNXBMFYSA-N 2 0 319.493 2.384 50 0 DEAARP Cc1cc(C)c2[nH+]ccc(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)c2c1 ZINC000095353735 402026994 /nfs/dbraw/zinc/02/69/94/402026994.db2.gz CINSVXXQLXFSAL-KXBFYZLASA-N 2 0 311.429 2.402 50 0 DEAARP CCc1oc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1C[NH+]1CCCC1 ZINC000067785930 402172422 /nfs/dbraw/zinc/17/24/22/402172422.db2.gz CSECGMACPUFGRQ-AWEZNQCLSA-N 2 0 319.449 2.119 50 0 DEAARP O=C(CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1)Nc1nccs1 ZINC000071278849 402271934 /nfs/dbraw/zinc/27/19/34/402271934.db2.gz HFRXUHKFVQMFMF-UHFFFAOYSA-N 2 0 322.478 2.374 50 0 DEAARP COCCn1ccnc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)CC1 ZINC000215885378 402285679 /nfs/dbraw/zinc/28/56/79/402285679.db2.gz NJAALMDCYCJTDO-UHFFFAOYSA-N 2 0 320.481 2.227 50 0 DEAARP Nc1nc(NCCCc2ccc(F)cc2)cc(C2CC([NH3+])C2)n1 ZINC000220268706 402300696 /nfs/dbraw/zinc/30/06/96/402300696.db2.gz LVXPOGHIEBAIEE-UHFFFAOYSA-N 2 0 315.396 2.447 50 0 DEAARP Cc1cccc(=O)n1CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000241368005 402443339 /nfs/dbraw/zinc/44/33/39/402443339.db2.gz MJHQVDUIAVCTIA-IRXDYDNUSA-N 2 0 303.450 2.153 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000170607509 402507140 /nfs/dbraw/zinc/50/71/40/402507140.db2.gz JOZHSXMZDMLPDH-QGZVFWFLSA-N 2 0 304.482 2.491 50 0 DEAARP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000253426921 402665901 /nfs/dbraw/zinc/66/59/01/402665901.db2.gz BYBAUSKAUWDQAY-DOTOQJQBSA-N 2 0 321.440 2.233 50 0 DEAARP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccncc3)CC2)CC1 ZINC000420987079 405421018 /nfs/dbraw/zinc/42/10/18/405421018.db2.gz ZUZKAGKOEZHAKV-UHFFFAOYSA-N 2 0 302.466 2.074 50 0 DEAARP Cc1cc(NCC[C@@H](C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000534642949 334306021 /nfs/dbraw/zinc/30/60/21/334306021.db2.gz BLHCTTIQUWGIEK-MRXNPFEDSA-N 2 0 312.461 2.403 50 0 DEAARP CCc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000216027679 799259780 /nfs/dbraw/zinc/25/97/80/799259780.db2.gz XAZGAYGIHBOJPQ-UHFFFAOYSA-N 2 0 303.450 2.188 50 0 DEAARP COCC[NH+]1CCC(C[N@H+](C)C[C@@H]2CCOC(C)(C)C2)CC1 ZINC001506418242 1061964775 /nfs/dbraw/zinc/96/47/75/1061964775.db2.gz VZAKIVBVUWETCY-QGZVFWFLSA-N 2 0 312.498 2.482 50 0 DEAARP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[NH+]1CCCCC1 ZINC000079194190 185161168 /nfs/dbraw/zinc/16/11/68/185161168.db2.gz QYEFMQHDYHFVOM-UHFFFAOYSA-N 2 0 319.449 2.063 50 0 biogenic DEAARP C[C@@H]([NH2+]CC1(C)OCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272832790 210232192 /nfs/dbraw/zinc/23/21/92/210232192.db2.gz QGAFZECMVJBOEF-WBVHZDCISA-N 2 0 304.434 2.250 50 0 DEAARP C[C@H]([NH2+]CC1(C)OCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272832784 210230885 /nfs/dbraw/zinc/23/08/85/210230885.db2.gz QGAFZECMVJBOEF-DOTOQJQBSA-N 2 0 304.434 2.250 50 0 DEAARP CC[N@H+](C)C1(CNc2cc(C3CC([NH3+])C3)ncn2)CCCC1 ZINC000222905234 201628203 /nfs/dbraw/zinc/62/82/03/201628203.db2.gz JCAFUYOERBSXLY-UHFFFAOYSA-N 2 0 303.454 2.358 50 0 DEAARP Cc1c[nH+]ccc1NCCNC(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000095354906 193428082 /nfs/dbraw/zinc/42/80/82/193428082.db2.gz OIHPXAIMVFOGGD-HNNXBMFYSA-N 2 0 304.438 2.040 50 0 DEAARP CCOc1cccc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000069347350 184507901 /nfs/dbraw/zinc/50/79/01/184507901.db2.gz AQHTXHCDKCZSJH-HNNXBMFYSA-N 2 0 306.450 2.268 50 0 DEAARP CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000117342897 401875180 /nfs/dbraw/zinc/87/51/80/401875180.db2.gz LIDORROVBSYPOL-INIZCTEOSA-N 2 0 309.498 2.488 50 0 DEAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089595006 401953792 /nfs/dbraw/zinc/95/37/92/401953792.db2.gz VCASDZHAFUFHEY-KURKYZTESA-N 2 0 323.525 2.340 50 0 DEAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000095364198 402028427 /nfs/dbraw/zinc/02/84/27/402028427.db2.gz CHJUJWVWBIIZNH-HNNXBMFYSA-N 2 0 304.438 2.039 50 0 DEAARP Cc1ccccc1[C@H](CNc1ncnc2c1CC[NH2+]C2)[NH+](C)C ZINC000067561863 402162756 /nfs/dbraw/zinc/16/27/56/402162756.db2.gz VSGOLEXIBQSUFI-KRWDZBQOSA-N 2 0 311.433 2.146 50 0 DEAARP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192744040 402747507 /nfs/dbraw/zinc/74/75/07/402747507.db2.gz CHESMUBNGVMFBO-ZWKOTPCHSA-N 2 0 311.514 2.028 50 0 DEAARP CC[N@@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000299786284 403574430 /nfs/dbraw/zinc/57/44/30/403574430.db2.gz SHQOFDCTHVMWON-IBGZPJMESA-N 2 0 315.461 2.086 50 0 DEAARP Cc1[nH]c2ccccc2c(=O)c1CC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000426370948 405355184 /nfs/dbraw/zinc/35/51/84/405355184.db2.gz KHLYDVIPEIDFFT-CYBMUJFWSA-N 2 0 313.445 2.499 50 0 DEAARP c1ccc(C[N@H+]2CCC[C@@H]2CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC001506409483 1061950558 /nfs/dbraw/zinc/95/05/58/1061950558.db2.gz HRNDIZSWLZLARL-OBKDMQGPSA-N 2 0 311.473 2.333 50 0 DEAARP COCC[NH+]1CCC(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000095422247 185360750 /nfs/dbraw/zinc/36/07/50/185360750.db2.gz XRPRKLISPQMAHA-SFHVURJKSA-N 2 0 323.525 2.484 50 0 DEAARP C[N@@H+]1CCCN(C(=O)c2ccc(C[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000072133294 191044446 /nfs/dbraw/zinc/04/44/46/191044446.db2.gz FHUHSLYIGVHFRY-KRWDZBQOSA-N 2 0 315.461 2.006 50 0 DEAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000072160886 191062252 /nfs/dbraw/zinc/06/22/52/191062252.db2.gz QHERYOBQVCEHDI-GOSISDBHSA-N 2 0 324.440 2.373 50 0 DEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccoc1)CC[NH+](C)CC2 ZINC000072477375 191180202 /nfs/dbraw/zinc/18/02/02/191180202.db2.gz KFQDAXPEDVDRNL-MRXNPFEDSA-N 2 0 319.449 2.092 50 0 DEAARP Cc1cccc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000097096467 355700847 /nfs/dbraw/zinc/70/08/47/355700847.db2.gz XRBRPHYHTAWDSC-UHFFFAOYSA-N 2 0 316.449 2.136 50 0 DEAARP CN1CC[N@H+](C)C[C@@H]1CC[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000601012375 359893303 /nfs/dbraw/zinc/89/33/03/359893303.db2.gz CWUVXNOWKCDEGI-WMZOPIPTSA-N 2 0 305.441 2.251 50 0 DEAARP C[NH2+]Cc1cn(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)nn1 ZINC000019147716 182105766 /nfs/dbraw/zinc/10/57/66/182105766.db2.gz KTVZLVPFXDZMRQ-HNNXBMFYSA-N 2 0 303.454 2.066 50 0 DEAARP Cc1noc(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344433 184295062 /nfs/dbraw/zinc/29/50/62/184295062.db2.gz AFXBGJUUUCYWNF-UHFFFAOYSA-N 2 0 307.438 2.226 50 0 DEAARP CC1(C)CC([NH2+]C[C@H](O)COCc2ccco2)CC(C)(C)[NH2+]1 ZINC000007982414 401746416 /nfs/dbraw/zinc/74/64/16/401746416.db2.gz LKSBPRBTIMUPEO-AWEZNQCLSA-N 2 0 310.438 2.056 50 0 DEAARP Fc1ccccc1CN1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000067758558 402171752 /nfs/dbraw/zinc/17/17/52/402171752.db2.gz HZDIOOFUOFOMCK-UHFFFAOYSA-N 2 0 305.441 2.333 50 0 DEAARP Cc1cccn2c(CN3CCS[C@H]4COCC[C@H]43)cnc12 ZINC000230181805 402348717 /nfs/dbraw/zinc/34/87/17/402348717.db2.gz DFSYIMBNOAVPEW-CABCVRRESA-N 2 0 303.431 2.349 50 0 DEAARP C[N@@H+]1CCC[C@H](CCNC(=O)C2([NH+]3CCCC3)CCCC2)C1 ZINC000952966367 792814534 /nfs/dbraw/zinc/81/45/34/792814534.db2.gz WDEVTXJOWNVPDT-MRXNPFEDSA-N 2 0 307.482 2.243 50 0 DEAARP CCC[NH+]1CCC(Cc2noc(CC3=CC[NH2+]CC3)n2)CC1 ZINC000067692622 190714185 /nfs/dbraw/zinc/71/41/85/190714185.db2.gz VJJYYYDVCJTLQS-UHFFFAOYSA-N 2 0 304.438 2.196 50 0 DEAARP CCc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000188986381 200331837 /nfs/dbraw/zinc/33/18/37/200331837.db2.gz URUPNVNYVCXGTL-LJQANCHMSA-N 2 0 301.478 2.461 50 0 DEAARP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000240444252 202457152 /nfs/dbraw/zinc/45/71/52/202457152.db2.gz FWWXLTBXBJDAAY-MGPQQGTHSA-N 2 0 307.404 2.333 50 0 DEAARP Cc1cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000091987888 193137517 /nfs/dbraw/zinc/13/75/17/193137517.db2.gz IVJDGQOZVNZJIM-UHFFFAOYSA-N 2 0 323.444 2.394 50 0 DEAARP C[NH+](C)CC[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000215331090 201457368 /nfs/dbraw/zinc/45/73/68/201457368.db2.gz XQINCTHVOPEUTK-QGZVFWFLSA-N 2 0 303.450 2.185 50 0 DEAARP Cc1sc2nc(CC[NH3+])nc(N(C)CCC[NH+](C)C)c2c1C ZINC000065435435 184344602 /nfs/dbraw/zinc/34/46/02/184344602.db2.gz HVFBQRCVGQBMKT-UHFFFAOYSA-N 2 0 321.494 2.197 50 0 DEAARP C[NH+]1CCN(C(C)(C)C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000071924532 401697876 /nfs/dbraw/zinc/69/78/76/401697876.db2.gz QZXPZLJMCXNYSI-UHFFFAOYSA-N 2 0 315.461 2.078 50 0 DEAARP c1coc(C[NH+]2CCC(C[N@@H+]3CCc4n[nH]cc4C3)CC2)c1 ZINC000032520307 401879079 /nfs/dbraw/zinc/87/90/79/401879079.db2.gz VEDIHDGKOBKOSD-UHFFFAOYSA-N 2 0 300.406 2.273 50 0 DEAARP c1ccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958596 402038130 /nfs/dbraw/zinc/03/81/30/402038130.db2.gz KAYLDSFFTNBJGN-UHFFFAOYSA-N 2 0 304.434 2.110 50 0 DEAARP CCOc1ccccc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069347314 402218855 /nfs/dbraw/zinc/21/88/55/402218855.db2.gz RFBHENJRFQYOHD-HNNXBMFYSA-N 2 0 306.450 2.268 50 0 DEAARP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc(OC)cc2C)C1 ZINC000216145485 402286874 /nfs/dbraw/zinc/28/68/74/402286874.db2.gz OQEISAFSXJNNPY-MRXNPFEDSA-N 2 0 306.450 2.404 50 0 DEAARP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000225429259 402317292 /nfs/dbraw/zinc/31/72/92/402317292.db2.gz BQGXPVQEKIGHRH-WRXMGDCGSA-N 2 0 300.512 2.386 50 0 DEAARP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000239667470 402441864 /nfs/dbraw/zinc/44/18/64/402441864.db2.gz BQGXPVQEKIGHRH-MNFOOTCESA-N 2 0 300.512 2.386 50 0 DEAARP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000179009700 402564874 /nfs/dbraw/zinc/56/48/74/402564874.db2.gz CQCZOFGVXAWFNA-ROUUACIJSA-N 2 0 315.461 2.109 50 0 DEAARP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000426503630 405365175 /nfs/dbraw/zinc/36/51/75/405365175.db2.gz WXQKTQMBTNDUGY-NSHDSACASA-N 2 0 302.344 2.365 50 0 DEAARP C[NH+](C)CCCC(C)(C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000585120964 405872537 /nfs/dbraw/zinc/87/25/37/405872537.db2.gz ALACMEAWMXYZKH-UHFFFAOYSA-N 2 0 319.493 2.398 50 0 DEAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCC(=O)NCc1cccc(Cl)c1)C2 ZINC000534639515 334310601 /nfs/dbraw/zinc/31/06/01/334310601.db2.gz WNWUWJKVBOFWOR-XOIINTDNSA-N 2 0 321.852 2.015 50 0 DEAARP CCc1ccc(C[NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)o1 ZINC000023159136 625105956 /nfs/dbraw/zinc/10/59/56/625105956.db2.gz JLOJHHGFSVMXRU-UHFFFAOYSA-N 2 0 317.437 2.464 50 0 DEAARP CCC[NH+]1CCC2(C[N@H+](C)C[C@H]2c2noc(C3CC3)n2)CC1 ZINC000097940990 635928786 /nfs/dbraw/zinc/92/87/86/635928786.db2.gz HNFIRGUOJNRPQM-AWEZNQCLSA-N 2 0 304.438 2.468 50 0 DEAARP Cc1ccc(-n2cccn2)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000825159230 783618875 /nfs/dbraw/zinc/61/88/75/783618875.db2.gz VSQMYIWXMKGTMM-AMBYYYRHSA-N 2 0 308.429 2.363 50 0 DEAARP CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)[C@H]1C=CC[NH2+]1 ZINC001506416516 1061961140 /nfs/dbraw/zinc/96/11/40/1061961140.db2.gz JRIHXWNDUFRKQA-MRXNPFEDSA-N 2 0 305.466 2.162 50 0 DEAARP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccnc3)cc2)CC1 ZINC000078758047 355277781 /nfs/dbraw/zinc/27/77/81/355277781.db2.gz CINOQNBSNIZUIB-UHFFFAOYSA-N 2 0 311.429 2.328 50 0 DEAARP C[C@H](C[NH2+]Cc1ccc(Cl)cc1F)CN1CC[NH+](C)CC1 ZINC000189318944 200381692 /nfs/dbraw/zinc/38/16/92/200381692.db2.gz PWZPGNUHPAGSLI-CYBMUJFWSA-N 2 0 313.848 2.452 50 0 DEAARP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000065626037 184375580 /nfs/dbraw/zinc/37/55/80/184375580.db2.gz IFXQOBIVFNZVGR-OAHLLOKOSA-N 2 0 303.450 2.210 50 0 DEAARP COc1ccccc1/C=C/C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069329094 184507537 /nfs/dbraw/zinc/50/75/37/184507537.db2.gz PESDZANIRYJIFG-BIENSFFJSA-N 2 0 318.461 2.391 50 0 DEAARP CC[C@H]1Oc2ccc([C@H](C)[NH3+])cc2N(CCC[NH+](C)C)C1=O ZINC000033502599 134688169 /nfs/dbraw/zinc/68/81/69/134688169.db2.gz CWJLRYRXRQNQBL-SWLSCSKDSA-N 2 0 305.422 2.162 50 0 DEAARP C[C@H](CCCC(C)(C)O)CC[NH2+]CCC1(O)CC[NH+](C)CC1 ZINC000032541383 401879733 /nfs/dbraw/zinc/87/97/33/401879733.db2.gz YZMNQSUPHADCMM-MRXNPFEDSA-N 2 0 314.514 2.390 50 0 DEAARP CC[C@H]1Oc2ccc([C@@H](C)[NH3+])cc2N(CCC[NH+](C)C)C1=O ZINC000033502595 401891065 /nfs/dbraw/zinc/89/10/65/401891065.db2.gz CWJLRYRXRQNQBL-IUODEOHRSA-N 2 0 305.422 2.162 50 0 DEAARP [NH3+][C@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)C[C@@H]1C1CC1 ZINC000092096698 402001559 /nfs/dbraw/zinc/00/15/59/402001559.db2.gz RIRYEKNSSZFXQW-WBVHZDCISA-N 2 0 303.425 2.464 50 0 DEAARP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)O1 ZINC000069484318 402225624 /nfs/dbraw/zinc/22/56/24/402225624.db2.gz SPRXGOCAUKSXNA-CALCHBBNSA-N 2 0 317.477 2.445 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195554362 402850925 /nfs/dbraw/zinc/85/09/25/402850925.db2.gz LPYRQVFBPYIIHQ-RDJZCZTQSA-N 2 0 309.498 2.473 50 0 DEAARP CC[N@@H+]1CCC[C@@H]1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244858439 279303474 /nfs/dbraw/zinc/30/34/74/279303474.db2.gz VLCIFIGXQHIRKG-LJQANCHMSA-N 2 0 313.489 2.256 50 0 DEAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000952988367 635194229 /nfs/dbraw/zinc/19/42/29/635194229.db2.gz NVXLEZMIQPVTCA-QGZVFWFLSA-N 2 0 317.433 2.240 50 0 DEAARP CCc1nc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)[nH]1 ZINC000071928203 683927555 /nfs/dbraw/zinc/92/75/55/683927555.db2.gz PZWWUTXWZQCCFH-OAHLLOKOSA-N 2 0 322.497 2.195 50 0 DEAARP OC[C@]12CCC[NH2+][C@@H]1CC[N@H+](CCCOCc1ccccc1)C2 ZINC000072165756 191065923 /nfs/dbraw/zinc/06/59/23/191065923.db2.gz UCEKEXJXPIOEFG-RTBURBONSA-N 2 0 318.461 2.030 50 0 DEAARP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H]2CCSC2)c2ccccc2)CC1 ZINC000225610050 186283100 /nfs/dbraw/zinc/28/31/00/186283100.db2.gz HSUPOHPTAUHCSZ-FUHWJXTLSA-N 2 0 319.518 2.318 50 0 DEAARP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000194884690 356247142 /nfs/dbraw/zinc/24/71/42/356247142.db2.gz CMRBIFUJNTUGED-QAPCUYQASA-N 2 0 317.477 2.298 50 0 DEAARP COc1ccccc1OC1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102467578 193889313 /nfs/dbraw/zinc/88/93/13/193889313.db2.gz ALTKXUNSTHIZBX-ZSHCYNCHSA-N 2 0 302.418 2.004 50 0 DEAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccccc1F ZINC000057157463 184029069 /nfs/dbraw/zinc/02/90/69/184029069.db2.gz DUBMILJXHYPKTA-UHFFFAOYSA-N 2 0 309.429 2.171 50 0 DEAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000014962622 401814344 /nfs/dbraw/zinc/81/43/44/401814344.db2.gz HPTNAVAXZMYWFS-HNNXBMFYSA-N 2 0 307.482 2.097 50 0 DEAARP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000095364197 402028268 /nfs/dbraw/zinc/02/82/68/402028268.db2.gz CHJUJWVWBIIZNH-OAHLLOKOSA-N 2 0 304.438 2.039 50 0 DEAARP CC[N@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)C1CC1 ZINC000096444009 402088332 /nfs/dbraw/zinc/08/83/32/402088332.db2.gz JVNVGFMVFJLVQN-SJORKVTESA-N 2 0 322.497 2.127 50 0 DEAARP COCCC[N@@H+]1CC[C@H](CNC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067817615 402173508 /nfs/dbraw/zinc/17/35/08/402173508.db2.gz YHPIAQKINYQSMQ-OAHLLOKOSA-N 2 0 311.514 2.244 50 0 DEAARP CC(C)[N@@H+]1CC[C@@H](CN(C)CC(=O)N(C)c2ccccc2)C1 ZINC000244882682 402451265 /nfs/dbraw/zinc/45/12/65/402451265.db2.gz XWNOBHGVHNSTPU-INIZCTEOSA-N 2 0 303.450 2.312 50 0 DEAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000241897179 402444155 /nfs/dbraw/zinc/44/41/55/402444155.db2.gz TWINCWVESVIWMJ-MCIONIFRSA-N 2 0 307.404 2.333 50 0 DEAARP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC000170073613 402502997 /nfs/dbraw/zinc/50/29/97/402502997.db2.gz GWXOKNKMYMCKTP-INIZCTEOSA-N 2 0 304.434 2.461 50 0 DEAARP [NH3+]C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000295104343 403761219 /nfs/dbraw/zinc/76/12/19/403761219.db2.gz VIXRGRPTMUFXHO-WSTZPKSXSA-N 2 0 323.440 2.346 50 0 DEAARP Cc1cc(F)ccc1N1CCC([N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000426503409 405365233 /nfs/dbraw/zinc/36/52/33/405365233.db2.gz DLUTUYIZTUPWAH-WMLDXEAASA-N 2 0 303.425 2.397 50 0 DEAARP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CC1 ZINC000237342372 287275910 /nfs/dbraw/zinc/27/59/10/287275910.db2.gz SUTBCZXHPSRULT-CQSZACIVSA-N 2 0 301.434 2.169 50 0 DEAARP C[C@@H]1OC2(C[C@@H]1[NH2+]C[C@@](C)(O)c1ccsc1)CC[NH+](C)CC2 ZINC000888099281 635547808 /nfs/dbraw/zinc/54/78/08/635547808.db2.gz YOYUFQYTBJVMIG-CWRNSKLLSA-N 2 0 324.490 2.187 50 0 DEAARP OC[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952982141 792859525 /nfs/dbraw/zinc/85/95/25/792859525.db2.gz FNICMRFRVYYHFH-SFHVURJKSA-N 3 0 323.525 2.125 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299740438 529440629 /nfs/dbraw/zinc/44/06/29/529440629.db2.gz ZXDCBTPDACODDQ-PVAVHDDUSA-N 2 0 303.450 2.093 50 0 DEAARP C[NH+](C)CCOc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000092615993 185328904 /nfs/dbraw/zinc/32/89/04/185328904.db2.gz OZUGZFRWNLKPFG-GOSISDBHSA-N 2 0 317.477 2.297 50 0 DEAARP CC[C@@H](C(N)=O)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000069871659 190830970 /nfs/dbraw/zinc/83/09/70/190830970.db2.gz BHCDPBRUFLRYSG-KRWDZBQOSA-N 2 0 317.477 2.484 50 0 DEAARP CC[N@H+](CCOc1ccc(Cl)cc1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072422773 191158253 /nfs/dbraw/zinc/15/82/53/191158253.db2.gz UWWYMYJMAYLYOJ-MRXNPFEDSA-N 2 0 312.841 2.155 50 0 DEAARP Cc1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091859037 193118892 /nfs/dbraw/zinc/11/88/92/193118892.db2.gz QJXMLYIJQZWQII-MRXNPFEDSA-N 2 0 311.433 2.326 50 0 DEAARP COc1c2c(cc3c1[C@H](Nc1cc[nH+]cc1)N(C)CC3)OCO2 ZINC000004090478 401725504 /nfs/dbraw/zinc/72/55/04/401725504.db2.gz HUQDBZGOUSLPHP-QGZVFWFLSA-N 2 0 313.357 2.418 50 0 biogenic DEAARP CCOC(=O)N1CCC([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000032916991 401885895 /nfs/dbraw/zinc/88/58/95/401885895.db2.gz BQWFGWMYGDUCPT-UHFFFAOYSA-N 2 0 311.470 2.319 50 0 DEAARP C[NH2+]CCC[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063845146 402116558 /nfs/dbraw/zinc/11/65/58/402116558.db2.gz FMUBJKQUYASKMD-UHFFFAOYSA-N 2 0 313.449 2.040 50 0 DEAARP C/C(=C\c1ccco1)C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067896393 402178188 /nfs/dbraw/zinc/17/81/88/402178188.db2.gz SQZWAJAKXLAANF-DTQAZKPQSA-N 2 0 303.450 2.395 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000069370460 402220791 /nfs/dbraw/zinc/22/07/91/402220791.db2.gz ICKSITAGBGAEAS-UHFFFAOYSA-N 2 0 316.367 2.499 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000069518014 402227914 /nfs/dbraw/zinc/22/79/14/402227914.db2.gz OLHJEODFLZUOJW-MSOLQXFVSA-N 2 0 321.509 2.440 50 0 DEAARP C[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071419044 402274587 /nfs/dbraw/zinc/27/45/87/402274587.db2.gz RVIHQXBQPAGLGD-KRWDZBQOSA-N 2 0 321.440 2.104 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000236905334 402388127 /nfs/dbraw/zinc/38/81/27/402388127.db2.gz JVFQGIOSLSSAAS-VYDXJSESSA-N 2 0 309.498 2.201 50 0 DEAARP COc1ccc2[nH]c(CC[N@H+](C)CCn3nccc3C)nc2c1 ZINC000244795382 402449767 /nfs/dbraw/zinc/44/97/67/402449767.db2.gz RFLHXPWRCZBMKW-UHFFFAOYSA-N 2 0 313.405 2.251 50 0 DEAARP CNC(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000170082862 402503198 /nfs/dbraw/zinc/50/31/98/402503198.db2.gz VTXGUGHHAZKOCA-QGZVFWFLSA-N 2 0 301.434 2.010 50 0 DEAARP CC1CC[NH+](CCN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246460465 402531755 /nfs/dbraw/zinc/53/17/55/402531755.db2.gz PHCVKXQNFPRCOR-GBESFXJTSA-N 2 0 323.525 2.292 50 0 DEAARP COc1ccnc(C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000252506900 402657357 /nfs/dbraw/zinc/65/73/57/402657357.db2.gz WCTTWSPZMIXVJX-HNNXBMFYSA-N 2 0 319.449 2.023 50 0 DEAARP C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000134114480 196362997 /nfs/dbraw/zinc/36/29/97/196362997.db2.gz KYMKTDUVUFJEAD-KRWDZBQOSA-N 2 0 301.434 2.106 50 0 DEAARP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000659991990 425709733 /nfs/dbraw/zinc/70/97/33/425709733.db2.gz DWUZBLWIBUZNHI-NJAFHUGGSA-N 2 0 315.461 2.107 50 0 DEAARP C[C@@H]1OC2(C[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1)CC[NH+](C)CC2 ZINC000888099280 635547180 /nfs/dbraw/zinc/54/71/80/635547180.db2.gz YOYUFQYTBJVMIG-BPUTZDHNSA-N 2 0 324.490 2.187 50 0 DEAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)CC1 ZINC000000220796 683830027 /nfs/dbraw/zinc/83/00/27/683830027.db2.gz DHACCHUKAGDYTC-INIZCTEOSA-N 2 0 309.498 2.441 50 0 DEAARP C[C@H](Cc1ccccc1F)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000065419663 683923466 /nfs/dbraw/zinc/92/34/66/683923466.db2.gz AIHLGWKIRVFMTF-MRXNPFEDSA-N 2 0 319.468 2.374 50 0 DEAARP CN(C(=O)C1([NH3+])CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072462861 191172920 /nfs/dbraw/zinc/17/29/20/191172920.db2.gz YWDFMRLTXXLZAY-KRWDZBQOSA-N 2 0 315.461 2.033 50 0 DEAARP O[C@@]1(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)CCC[NH2+]C1 ZINC000072478364 191179499 /nfs/dbraw/zinc/17/94/99/191179499.db2.gz BFTGUQNHRSMGLX-SFHVURJKSA-N 2 0 306.425 2.342 50 0 DEAARP C[N@@H+](Cc1nc2ccccc2s1)CC1CC[NH+](CCO)CC1 ZINC000075603055 355095925 /nfs/dbraw/zinc/09/59/25/355095925.db2.gz MOHXEKAPIAZIHF-UHFFFAOYSA-N 2 0 319.474 2.432 50 0 DEAARP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000195554605 356257239 /nfs/dbraw/zinc/25/72/39/356257239.db2.gz VMJCSMOZRRTJSA-JQHSSLGASA-N 2 0 313.445 2.162 50 0 DEAARP C[N@@H+]1CC[C@@](C)(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584889654 357325792 /nfs/dbraw/zinc/32/57/92/357325792.db2.gz BQLXDJAGOPHUMQ-IBGZPJMESA-N 2 0 321.509 2.489 50 0 DEAARP C[C@H]1C[C@@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527923 202271452 /nfs/dbraw/zinc/27/14/52/202271452.db2.gz RYTMEIJXRIKBHL-YJBOKZPZSA-N 2 0 315.461 2.250 50 0 DEAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000056308841 184009636 /nfs/dbraw/zinc/00/96/36/184009636.db2.gz XRPBBPQYNJATQN-KRWDZBQOSA-N 2 0 307.482 2.242 50 0 DEAARP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158255615 197257366 /nfs/dbraw/zinc/25/73/66/197257366.db2.gz ACMXPVDWAPBXFJ-LBPRGKRZSA-N 2 0 301.390 2.058 50 0 DEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]C(C)C)cc1OC ZINC000012751261 256525295 /nfs/dbraw/zinc/52/52/95/256525295.db2.gz HFTWZDAOMPWARN-MRXNPFEDSA-N 2 0 324.465 2.275 50 0 DEAARP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000153835012 402173525 /nfs/dbraw/zinc/17/35/25/402173525.db2.gz FJZIYWSKSMSQET-STQMWFEESA-N 2 0 315.417 2.317 50 0 DEAARP C[NH+](C)CC(C)(C)CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000214996912 402280670 /nfs/dbraw/zinc/28/06/70/402280670.db2.gz AAUNRCGMSAMLAO-QGZVFWFLSA-N 2 0 317.477 2.471 50 0 DEAARP COc1ccnc(C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000252506901 402656973 /nfs/dbraw/zinc/65/69/73/402656973.db2.gz WCTTWSPZMIXVJX-OAHLLOKOSA-N 2 0 319.449 2.023 50 0 DEAARP CC[NH2+]CC[C@H]1CCC(=O)N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299785921 403574542 /nfs/dbraw/zinc/57/45/42/403574542.db2.gz PBCAZEOOJYOSSJ-MSOLQXFVSA-N 2 0 315.461 2.252 50 0 DEAARP C[C@@H]1CN(Cc2ccccc2OCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000244633337 424886377 /nfs/dbraw/zinc/88/63/77/424886377.db2.gz GBDYKOCMLRXPRG-QGZVFWFLSA-N 2 0 317.477 2.345 50 0 DEAARP CC(C)([NH3+])c1cn(C2CC[NH+](C3CCSCC3)CC2)nn1 ZINC000020514495 277307849 /nfs/dbraw/zinc/30/78/49/277307849.db2.gz NOOSUQKYDRIESJ-UHFFFAOYSA-N 2 0 309.483 2.004 50 0 DEAARP CCOC1CC(O)(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000328588842 528525304 /nfs/dbraw/zinc/52/53/04/528525304.db2.gz XCRPQLGYOPPFEH-UHFFFAOYSA-N 2 0 310.482 2.303 50 0 DEAARP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000055133217 646413719 /nfs/dbraw/zinc/41/37/19/646413719.db2.gz NRUUTUBAMUMRNS-MRXNPFEDSA-N 2 0 319.449 2.044 50 0 DEAARP CCCN1C[C@@H]([NH2+]Cc2cc(C[NH+]3CCCC3)cs2)CC1=O ZINC000952989527 792869412 /nfs/dbraw/zinc/86/94/12/792869412.db2.gz VXNTXDHSNGSGAS-HNNXBMFYSA-N 2 0 321.490 2.444 50 0 DEAARP Cc1ccsc1CN(C)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072477597 191180145 /nfs/dbraw/zinc/18/01/45/191180145.db2.gz XDHUBPDXOWTYOG-CQSZACIVSA-N 2 0 321.490 2.089 50 0 DEAARP CCC[NH+]1CCC([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000016672222 354039767 /nfs/dbraw/zinc/03/97/67/354039767.db2.gz RTAYULSQPYCNQK-CVEARBPZSA-N 2 0 315.461 2.142 50 0 DEAARP [NH3+]CCc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)cc1 ZINC000215234968 201454758 /nfs/dbraw/zinc/45/47/58/201454758.db2.gz QOLDVRBNIYHQTQ-UHFFFAOYSA-N 2 0 312.417 2.021 50 0 DEAARP O=C(NCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013632664 181870814 /nfs/dbraw/zinc/87/08/14/181870814.db2.gz KGXFSTNCXMBIPG-UHFFFAOYSA-N 2 0 315.461 2.498 50 0 DEAARP c1cn(-c2ncccc2C[NH2+]C2CCC3(CC2)OCCO3)cn1 ZINC000155085990 197020800 /nfs/dbraw/zinc/02/08/00/197020800.db2.gz BBYYXTFKKOFHDG-UHFFFAOYSA-N 2 0 314.389 2.043 50 0 DEAARP CC[C@H]1CN(Cc2cnc3ccc(C)cn23)CC[N@@H+]1CCOC ZINC000120979969 402009480 /nfs/dbraw/zinc/00/94/80/402009480.db2.gz WFUXSQKQUYDBOF-INIZCTEOSA-N 2 0 316.449 2.185 50 0 DEAARP C([C@H]1CCCO1)N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067690897 402167989 /nfs/dbraw/zinc/16/79/89/402167989.db2.gz IFESXRSJPUCESQ-GOSISDBHSA-N 2 0 321.509 2.095 50 0 DEAARP COc1ccc(NC(=O)CN(C)C[C@H]2CC[N@H+](C)C2(C)C)cc1 ZINC000244884076 402450878 /nfs/dbraw/zinc/45/08/78/402450878.db2.gz YETOIZYYTAWZDD-CQSZACIVSA-N 2 0 319.449 2.296 50 0 DEAARP CC(C)C[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257187017 402701429 /nfs/dbraw/zinc/70/14/29/402701429.db2.gz LEMYCUWTCYFBDR-INIZCTEOSA-N 2 0 319.497 2.238 50 0 DEAARP Fc1ccc2nc(C[NH+]3CCC4(CC3)C[NH2+]CCO4)ccc2c1 ZINC000426500049 405364496 /nfs/dbraw/zinc/36/44/96/405364496.db2.gz DXHXIXYPSXUHMY-UHFFFAOYSA-N 2 0 315.392 2.328 50 0 DEAARP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2COCCO2)CCN1Cc1ccccc1 ZINC000450470719 405914565 /nfs/dbraw/zinc/91/45/65/405914565.db2.gz AVKMFOHVCWDLHR-NEWSRXKRSA-N 2 0 318.461 2.387 50 0 DEAARP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000659991982 425710262 /nfs/dbraw/zinc/71/02/62/425710262.db2.gz DWUZBLWIBUZNHI-BPQIPLTHSA-N 2 0 315.461 2.107 50 0 DEAARP C[C@H](CC(=O)N(C)C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000095421276 279243629 /nfs/dbraw/zinc/24/36/29/279243629.db2.gz XMOXKASGYBHGNL-OAHLLOKOSA-N 2 0 309.498 2.488 50 0 DEAARP COc1ccc(/C=C/C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)cc1 ZINC000072172617 683928404 /nfs/dbraw/zinc/92/84/04/683928404.db2.gz LDXUAQUDDXKUMB-FHHGHWCOSA-N 2 0 318.461 2.487 50 0 DEAARP CCCN1C[C@H]([NH2+]Cc2cc(C[NH+]3CCCC3)cs2)CC1=O ZINC000952989532 792869888 /nfs/dbraw/zinc/86/98/88/792869888.db2.gz VXNTXDHSNGSGAS-OAHLLOKOSA-N 2 0 321.490 2.444 50 0 DEAARP C/C=C/C[NH+]1CCC(CNC(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC001506398686 1061940717 /nfs/dbraw/zinc/94/07/17/1061940717.db2.gz QQJYGRYBNJGIAQ-REMYHPOOSA-N 2 0 307.482 2.265 50 0 DEAARP CC[N@@H+]1CCC[C@H]1CN1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC001506415673 1061960114 /nfs/dbraw/zinc/96/01/14/1061960114.db2.gz ZIIVLQHICRHCQS-KRWDZBQOSA-N 2 0 302.466 2.305 50 0 DEAARP c1cc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000245339495 356307722 /nfs/dbraw/zinc/30/77/22/356307722.db2.gz TZNLCWQNZVXJKX-KBPBESRZSA-N 2 0 304.390 2.011 50 0 DEAARP Cc1ccc2ncccc2c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091617018 193079361 /nfs/dbraw/zinc/07/93/61/193079361.db2.gz OOANXYFKYDVOME-HZPDHXFCSA-N 2 0 313.445 2.145 50 0 DEAARP C[NH+](C)Cc1ccccc1CN1CC2(CC[NH2+]CC2)CCC1=O ZINC000091820038 193111928 /nfs/dbraw/zinc/11/19/28/193111928.db2.gz MQVQQAJDDUSPIA-UHFFFAOYSA-N 2 0 315.461 2.240 50 0 DEAARP C[C@]1(CO)CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@@]1(C)CO ZINC000253416880 291391885 /nfs/dbraw/zinc/39/18/85/291391885.db2.gz HRGQDTNSUTYICD-BNPWSIICSA-N 2 0 310.482 2.016 50 0 DEAARP CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000019370383 182119647 /nfs/dbraw/zinc/11/96/47/182119647.db2.gz TYPOSOHFCISUJO-UHFFFAOYSA-N 2 0 317.477 2.297 50 0 DEAARP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000065626041 184375542 /nfs/dbraw/zinc/37/55/42/184375542.db2.gz IFXQOBIVFNZVGR-HNNXBMFYSA-N 2 0 303.450 2.210 50 0 DEAARP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269253282 207391986 /nfs/dbraw/zinc/39/19/86/207391986.db2.gz IKMRZSRACLELKB-NJAFHUGGSA-N 2 0 317.477 2.481 50 0 DEAARP Cc1nn(C)c(C)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067452813 402160133 /nfs/dbraw/zinc/16/01/33/402160133.db2.gz RYPJHTFLCBCDNL-ZIAGYGMSSA-N 2 0 308.470 2.016 50 0 DEAARP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1 ZINC000102342734 402165336 /nfs/dbraw/zinc/16/53/36/402165336.db2.gz BJIFKTVZYHUTTB-PXTPFGJHSA-N 3 0 311.473 2.048 50 0 DEAARP CC[N@@H+]1CC[C@H](N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000252587284 402659221 /nfs/dbraw/zinc/65/92/21/402659221.db2.gz WZGOYEPMPBYMMJ-ZSGPHXLJSA-N 2 0 305.441 2.283 50 0 DEAARP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000253426926 402665819 /nfs/dbraw/zinc/66/58/19/402665819.db2.gz BYBAUSKAUWDQAY-WBVHZDCISA-N 2 0 321.440 2.233 50 0 DEAARP CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192744051 402747536 /nfs/dbraw/zinc/74/75/36/402747536.db2.gz CHESMUBNGVMFBO-MSOLQXFVSA-N 2 0 311.514 2.028 50 0 DEAARP C[NH+]1CCC(OCCC[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000534578878 334288742 /nfs/dbraw/zinc/28/87/42/334288742.db2.gz AMHOFHYUMCVPEQ-QGZVFWFLSA-N 2 0 317.477 2.356 50 0 DEAARP OCC[N@@H+]1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000072158394 683927435 /nfs/dbraw/zinc/92/74/35/683927435.db2.gz RCRIYLJPMMCMBJ-HNNXBMFYSA-N 2 0 324.415 2.491 50 0 DEAARP CC(=O)NC(C)(C)C[C@H](C)[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000820574052 1090553783 /nfs/dbraw/zinc/55/37/83/1090553783.db2.gz XARANKPHKZLFAO-HNNXBMFYSA-N 2 0 318.465 2.205 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000069895008 190834837 /nfs/dbraw/zinc/83/48/37/190834837.db2.gz QIAQFZOXOZOLLE-UHFFFAOYSA-N 2 0 321.446 2.197 50 0 DEAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2nc3c(s2)CCCC3)CC1 ZINC000072150493 191056154 /nfs/dbraw/zinc/05/61/54/191056154.db2.gz BPUHXEBUHRVNDP-KRWDZBQOSA-N 2 0 323.506 2.301 50 0 DEAARP CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000584904624 357332245 /nfs/dbraw/zinc/33/22/45/357332245.db2.gz NIQBWUJVHGOJEN-INIZCTEOSA-N 2 0 302.418 2.051 50 0 DEAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000014962618 401814561 /nfs/dbraw/zinc/81/45/61/401814561.db2.gz HPTNAVAXZMYWFS-OAHLLOKOSA-N 2 0 307.482 2.097 50 0 DEAARP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000097200848 402116107 /nfs/dbraw/zinc/11/61/07/402116107.db2.gz ZFGAUMXWGFCCBG-MRXNPFEDSA-N 2 0 316.449 2.136 50 0 DEAARP CCc1oc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1C[NH+]1CCCC1 ZINC000067785934 402172661 /nfs/dbraw/zinc/17/26/61/402172661.db2.gz CSECGMACPUFGRQ-CQSZACIVSA-N 2 0 319.449 2.119 50 0 DEAARP C[NH+](C)CC1(CO)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000215033197 402280465 /nfs/dbraw/zinc/28/04/65/402280465.db2.gz BFGGOKJTYAICBY-ONEGZZNKSA-N 2 0 306.425 2.475 50 0 DEAARP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2COCCO2)CCN1Cc1ccccc1 ZINC000450470723 405914928 /nfs/dbraw/zinc/91/49/28/405914928.db2.gz AVKMFOHVCWDLHR-QRQLOZEOSA-N 2 0 318.461 2.387 50 0 DEAARP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(N)=O ZINC000071902480 280190697 /nfs/dbraw/zinc/19/06/97/280190697.db2.gz DMHJUSWQVZIRRT-WMLDXEAASA-N 2 0 303.450 2.272 50 0 DEAARP C[NH+]1CCC(OCCC[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000534578875 334288727 /nfs/dbraw/zinc/28/87/27/334288727.db2.gz AMHOFHYUMCVPEQ-KRWDZBQOSA-N 2 0 317.477 2.356 50 0 DEAARP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246888658 526389520 /nfs/dbraw/zinc/38/95/20/526389520.db2.gz IRYYMANXKWOKDT-SJLPKXTDSA-N 2 0 315.461 2.014 50 0 DEAARP Cc1nncn1CC[N@@H+](C)Cc1ccccc1C[NH+]1CCCC1 ZINC001506430873 1061978522 /nfs/dbraw/zinc/97/85/22/1061978522.db2.gz CTTNEAKYVPTORS-UHFFFAOYSA-N 2 0 313.449 2.314 50 0 DEAARP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H]2CCSC2)c2ccccc2)CC1 ZINC000225610002 186283468 /nfs/dbraw/zinc/28/34/68/186283468.db2.gz HSUPOHPTAUHCSZ-SJLPKXTDSA-N 2 0 319.518 2.318 50 0 DEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccco1)CC[NH+](C)CC2 ZINC000072410301 191153384 /nfs/dbraw/zinc/15/33/84/191153384.db2.gz KPYWTKPNEHNYSA-MRXNPFEDSA-N 2 0 319.449 2.092 50 0 DEAARP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000106647181 194240587 /nfs/dbraw/zinc/24/05/87/194240587.db2.gz JTZHWVMENWCQJE-SOLBZPMBSA-N 2 0 310.482 2.377 50 0 DEAARP C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCC2)s1 ZINC000065508683 184357127 /nfs/dbraw/zinc/35/71/27/184357127.db2.gz FAKIQHYZJFHYKK-ZDUSSCGKSA-N 2 0 307.463 2.054 50 0 DEAARP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000078552972 401855792 /nfs/dbraw/zinc/85/57/92/401855792.db2.gz DHNAKWVYRHEPDW-UHFFFAOYSA-N 2 0 311.420 2.328 50 0 DEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063696747 402114772 /nfs/dbraw/zinc/11/47/72/402114772.db2.gz PDFMUDKWURSGBC-UHFFFAOYSA-N 2 0 317.477 2.357 50 0 DEAARP C[C@H]1CCCC[C@H]1OCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069927461 402251730 /nfs/dbraw/zinc/25/17/30/402251730.db2.gz WOPYBFLICZHGQA-FUHWJXTLSA-N 2 0 312.498 2.218 50 0 DEAARP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000265901524 402960443 /nfs/dbraw/zinc/96/04/43/402960443.db2.gz VDQJEGBWWYRGJX-SJLPKXTDSA-N 2 0 315.461 2.204 50 0 DEAARP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[S@](C)=O ZINC000242288010 534053984 /nfs/dbraw/zinc/05/39/84/534053984.db2.gz YKJKJNVLTQDINM-URYASSDKSA-N 2 0 300.512 2.386 50 0 DEAARP C/C=C/C[NH+]1CCC(CNC(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC001506398684 1061937998 /nfs/dbraw/zinc/93/79/98/1061937998.db2.gz QQJYGRYBNJGIAQ-IDOMTICXSA-N 2 0 307.482 2.265 50 0 DEAARP O[C@@]1(C[NH2+]CCc2cccc(Oc3ccccc3)c2)CC[NH2+]C1 ZINC000077343613 191696727 /nfs/dbraw/zinc/69/67/27/191696727.db2.gz WXRNNBKLNRFFNC-LJQANCHMSA-N 2 0 312.413 2.335 50 0 DEAARP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000584907708 540255441 /nfs/dbraw/zinc/25/54/41/540255441.db2.gz KCUHULZTYZKEGF-CVEARBPZSA-N 2 0 303.450 2.060 50 0 DEAARP C[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)[C@@H]1C[NH3+] ZINC000237644380 202315047 /nfs/dbraw/zinc/31/50/47/202315047.db2.gz BNUQVIBGXIHXIS-WMLDXEAASA-N 2 0 312.417 2.131 50 0 DEAARP COc1ccnc(CN(C)C[C@@H]2CC[N@H+](C)C2(C)C)c1OC ZINC000670453144 540935717 /nfs/dbraw/zinc/93/57/17/540935717.db2.gz XMUWEUUPWSNKGS-ZDUSSCGKSA-N 2 0 307.438 2.261 50 0 DEAARP C[NH2+]Cc1cn(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)nn1 ZINC000019147719 182105784 /nfs/dbraw/zinc/10/57/84/182105784.db2.gz KTVZLVPFXDZMRQ-OAHLLOKOSA-N 2 0 303.454 2.066 50 0 DEAARP CCOc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1C[NH+](C)C ZINC000065435914 184344909 /nfs/dbraw/zinc/34/49/09/184344909.db2.gz ZVLSYUNOKUESFV-INIZCTEOSA-N 2 0 300.406 2.105 50 0 DEAARP CC(C)=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000072271382 401705469 /nfs/dbraw/zinc/70/54/69/401705469.db2.gz HTZQYIWDQXXHAA-QGZVFWFLSA-N 2 0 322.497 2.153 50 0 DEAARP Nc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000095354711 402027246 /nfs/dbraw/zinc/02/72/46/402027246.db2.gz VUCGFLOUDGHWLN-INIZCTEOSA-N 2 0 309.417 2.089 50 0 DEAARP O[C@H]1CN(c2cc[nH+]cc2)CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000097547825 402126886 /nfs/dbraw/zinc/12/68/86/402126886.db2.gz GTYCTVBXEVRPQL-GOSISDBHSA-N 2 0 322.412 2.246 50 0 DEAARP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000069508337 402227295 /nfs/dbraw/zinc/22/72/95/402227295.db2.gz JTZHWVMENWCQJE-NUJGCVRESA-N 2 0 310.482 2.377 50 0 DEAARP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000229444683 402343050 /nfs/dbraw/zinc/34/30/50/402343050.db2.gz JTZHWVMENWCQJE-JFIYKMOQSA-N 2 0 310.482 2.377 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000269498417 403144302 /nfs/dbraw/zinc/14/43/02/403144302.db2.gz KWQDCMHAIUAIRC-OIISXLGYSA-N 2 0 303.450 2.265 50 0 DEAARP CC(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000065371057 277328005 /nfs/dbraw/zinc/32/80/05/277328005.db2.gz VJNAXWMEMMQVGG-FUHWJXTLSA-N 2 0 321.509 2.488 50 0 DEAARP C[C@@H](Cc1ccccc1F)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000065419660 683923764 /nfs/dbraw/zinc/92/37/64/683923764.db2.gz AIHLGWKIRVFMTF-INIZCTEOSA-N 2 0 319.468 2.374 50 0 DEAARP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[S@](C)=O ZINC000170062532 539614003 /nfs/dbraw/zinc/61/40/03/539614003.db2.gz YKJKJNVLTQDINM-NKSTXHLWSA-N 2 0 300.512 2.386 50 0 DEAARP CO[C@H]1C[N@@H+](C2CCN(c3ccc(F)cc3C)CC2)CC[C@H]1[NH3+] ZINC000071746099 191019314 /nfs/dbraw/zinc/01/93/14/191019314.db2.gz HRCRNUZGYVPAMD-AEFFLSMTSA-N 2 0 321.440 2.151 50 0 DEAARP C[N@@H+]1CC[C@](C)(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000584889655 357326048 /nfs/dbraw/zinc/32/60/48/357326048.db2.gz BQLXDJAGOPHUMQ-LJQANCHMSA-N 2 0 321.509 2.489 50 0 DEAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100478 182186643 /nfs/dbraw/zinc/18/66/43/182186643.db2.gz NNKXFYBZJHAALM-UHFFFAOYSA-N 2 0 321.440 2.106 50 0 DEAARP COc1ccc(CN(CC[NH3+])[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000022579153 401826993 /nfs/dbraw/zinc/82/69/93/401826993.db2.gz UAAWLEXGHZWUTA-IIDMSEBBSA-N 2 0 305.466 2.185 50 0 DEAARP CC[N@@H+]1CCC[C@@](C)(C(=O)NCCNc2cc[nH+]cc2C)C1 ZINC000095382510 402030421 /nfs/dbraw/zinc/03/04/21/402030421.db2.gz FWLAUBSXGWDRQX-QGZVFWFLSA-N 2 0 304.438 2.040 50 0 DEAARP O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000097570883 402127379 /nfs/dbraw/zinc/12/73/79/402127379.db2.gz LSJPLPSGDRHWQW-CABCVRRESA-N 2 0 319.474 2.054 50 0 DEAARP C[N@@H+]1CCC2(C1)CC[NH+](CCn1c3ccccc3oc1=O)CC2 ZINC000067867606 402176797 /nfs/dbraw/zinc/17/67/97/402176797.db2.gz QJTHTDBTUISGKS-UHFFFAOYSA-N 2 0 315.417 2.012 50 0 DEAARP C[NH+](C)CCCOc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000215388331 402283355 /nfs/dbraw/zinc/28/33/55/402283355.db2.gz SZFDTVMDIWZBFN-HDICACEKSA-N 2 0 317.477 2.011 50 0 DEAARP CC(=O)Nc1ccc(C[N@@H+](C)CCCc2nccn2C)cc1 ZINC000216252089 402287780 /nfs/dbraw/zinc/28/77/80/402287780.db2.gz CKMQVJDZEJHUKF-UHFFFAOYSA-N 2 0 300.406 2.443 50 0 DEAARP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000071857560 402289008 /nfs/dbraw/zinc/28/90/08/402289008.db2.gz WMBBCMKHIDMFOR-UHFFFAOYSA-N 2 0 311.420 2.328 50 0 DEAARP C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000229957716 402346063 /nfs/dbraw/zinc/34/60/63/402346063.db2.gz GJJPFLFIMSHLBP-RYQLBKOJSA-N 2 0 315.461 2.280 50 0 DEAARP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000229933740 402346157 /nfs/dbraw/zinc/34/61/57/402346157.db2.gz BKADSUXQNCKAFZ-JFIYKMOQSA-N 2 0 310.482 2.234 50 0 DEAARP C[C@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)CCCc1nccn1C ZINC000299764395 403567714 /nfs/dbraw/zinc/56/77/14/403567714.db2.gz SIYPXKTWCWYLIZ-CYBMUJFWSA-N 2 0 318.396 2.451 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237728784 225212551 /nfs/dbraw/zinc/21/25/51/225212551.db2.gz YCTUKHVQUHMCIV-ROUUACIJSA-N 2 0 315.461 2.203 50 0 DEAARP Cc1ccccc1[C@@H](CNc1ncnc2c1CC[NH2+]C2)[NH+](C)C ZINC000067561859 292642049 /nfs/dbraw/zinc/64/20/49/292642049.db2.gz VSGOLEXIBQSUFI-QGZVFWFLSA-N 2 0 311.433 2.146 50 0 DEAARP Cc1cc(NCC[N@@H+]2CCCC[C@H]2CO)c2cc(F)ccc2[nH+]1 ZINC001529191449 1070909915 /nfs/dbraw/zinc/90/99/15/1070909915.db2.gz YVLNXNILWBCTNL-HNNXBMFYSA-N 2 0 317.408 2.363 50 0 DEAARP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095502795 185375163 /nfs/dbraw/zinc/37/51/63/185375163.db2.gz UFADZDGOFBAJQP-IRXDYDNUSA-N 2 0 319.424 2.102 50 0 DEAARP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079073560 185154264 /nfs/dbraw/zinc/15/42/64/185154264.db2.gz LZBROWLQSVWJMG-KBPBESRZSA-N 2 0 309.454 2.070 50 0 DEAARP O=c1ccccn1CCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000670447531 540934712 /nfs/dbraw/zinc/93/47/12/540934712.db2.gz VNQKAJRWZLXGHN-UHFFFAOYSA-N 2 0 303.450 2.235 50 0 DEAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000095968938 193466429 /nfs/dbraw/zinc/46/64/29/193466429.db2.gz ZJHUTUAICVGJJT-GOSISDBHSA-N 2 0 301.478 2.160 50 0 DEAARP Cc1cc(CC[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)on1 ZINC000019595491 182132945 /nfs/dbraw/zinc/13/29/45/182132945.db2.gz AZUUYXMFLZDCPQ-UHFFFAOYSA-N 2 0 300.406 2.441 50 0 DEAARP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000069897177 402249939 /nfs/dbraw/zinc/24/99/39/402249939.db2.gz ZHJMGMSXHRPAKH-HNNXBMFYSA-N 2 0 306.450 2.220 50 0 DEAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCC[N@@H+]1C ZINC000215296042 402281945 /nfs/dbraw/zinc/28/19/45/402281945.db2.gz ULMNUYHRUSVAAH-GOSISDBHSA-N 2 0 317.477 2.451 50 0 DEAARP CC(C)(C)[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178654867 402522148 /nfs/dbraw/zinc/52/21/48/402522148.db2.gz IMSWZPDJTMLZSJ-QGZVFWFLSA-N 2 0 317.477 2.183 50 0 DEAARP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000299802885 403579254 /nfs/dbraw/zinc/57/92/54/403579254.db2.gz RQYFXHHHQMAXJM-SFHVURJKSA-N 2 0 315.461 2.288 50 0 DEAARP CC1(C)CC([N@H+]2C[C@@H](Cc3ccccn3)[C@H](O)C2)CC(C)(C)[NH2+]1 ZINC001529158463 1070888446 /nfs/dbraw/zinc/88/84/46/1070888446.db2.gz DMTIOSJQYYUAMH-RHSMWYFYSA-N 2 0 317.477 2.226 50 0 DEAARP Cc1cc(NCC[N@@H+]2CCCC[C@@H]2CO)c2cc(F)ccc2[nH+]1 ZINC001529191450 1070910855 /nfs/dbraw/zinc/91/08/55/1070910855.db2.gz YVLNXNILWBCTNL-OAHLLOKOSA-N 2 0 317.408 2.363 50 0 DEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccco1)CC[NH+](C)CC2 ZINC000072410302 191154229 /nfs/dbraw/zinc/15/42/29/191154229.db2.gz KPYWTKPNEHNYSA-INIZCTEOSA-N 2 0 319.449 2.092 50 0 DEAARP COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)CC12CC[NH2+]CC2 ZINC000169789820 355983650 /nfs/dbraw/zinc/98/36/50/355983650.db2.gz SAXPCQURUOWPQD-INIZCTEOSA-N 2 0 304.434 2.143 50 0 DEAARP Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000091769039 193104210 /nfs/dbraw/zinc/10/42/10/193104210.db2.gz OEGOCGZGEOTSDJ-UHFFFAOYSA-N 2 0 311.433 2.486 50 0 DEAARP C[NH+](C)CC(C)(C)CNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000214996959 201448902 /nfs/dbraw/zinc/44/89/02/201448902.db2.gz AAUNRCGMSAMLAO-KRWDZBQOSA-N 2 0 317.477 2.471 50 0 DEAARP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000058407406 184114219 /nfs/dbraw/zinc/11/42/19/184114219.db2.gz WDVSIQUOCLJDPJ-UHFFFAOYSA-N 2 0 315.465 2.146 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000065405237 184338012 /nfs/dbraw/zinc/33/80/12/184338012.db2.gz VSCXVZWFXIGFQU-INIZCTEOSA-N 2 0 309.498 2.203 50 0 DEAARP CC1CC[NH+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000030852736 401866064 /nfs/dbraw/zinc/86/60/64/401866064.db2.gz PNEDLIVARKLKMZ-UHFFFAOYSA-N 2 0 303.450 2.210 50 0 DEAARP O[C@H]1CN(c2cc[nH+]cc2)CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000097323896 402121764 /nfs/dbraw/zinc/12/17/64/402121764.db2.gz BOSMAYUGTJVNIN-GOSISDBHSA-N 2 0 322.412 2.246 50 0 DEAARP COc1ccccc1CC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844636 402116365 /nfs/dbraw/zinc/11/63/65/402116365.db2.gz AVZXSCCUBYNHFH-RTBURBONSA-N 2 0 318.461 2.207 50 0 DEAARP C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000054147535 402063332 /nfs/dbraw/zinc/06/33/32/402063332.db2.gz FTQBNLNZIGBYAD-UHFFFAOYSA-N 2 0 315.461 2.497 50 0 DEAARP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC000067689113 402167677 /nfs/dbraw/zinc/16/76/77/402167677.db2.gz FMMGOHAPDXGJKN-UHFFFAOYSA-N 2 0 311.433 2.185 50 0 DEAARP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069927449 402251620 /nfs/dbraw/zinc/25/16/20/402251620.db2.gz WOPYBFLICZHGQA-AEFFLSMTSA-N 2 0 312.498 2.218 50 0 DEAARP Cc1cc(C[N@@H+]2CCC[C@@H](CCNC(=O)C3([NH3+])CC3)C2)oc1C ZINC000071278994 402272018 /nfs/dbraw/zinc/27/20/18/402272018.db2.gz YXPDNFZMBNPDBD-HNNXBMFYSA-N 2 0 319.449 2.106 50 0 DEAARP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1 ZINC000071825214 402283382 /nfs/dbraw/zinc/28/33/82/402283382.db2.gz QTZNYQSMNMBKSR-AWEZNQCLSA-N 2 0 311.433 2.056 50 0 DEAARP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178956934 402559054 /nfs/dbraw/zinc/55/90/54/402559054.db2.gz IRYYMANXKWOKDT-WMZOPIPTSA-N 2 0 315.461 2.014 50 0 DEAARP COc1ccc(C[C@@H]2C[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)CCO2)cc1 ZINC000244795202 533765875 /nfs/dbraw/zinc/76/58/75/533765875.db2.gz RBKRWNGWHCKOSR-ZIFCJYIRSA-N 2 0 318.461 2.456 50 0 DEAARP COc1ccnc(CN(C)C[C@H]2CC[N@H+](C)C2(C)C)c1OC ZINC000670453143 540935613 /nfs/dbraw/zinc/93/56/13/540935613.db2.gz XMUWEUUPWSNKGS-CYBMUJFWSA-N 2 0 307.438 2.261 50 0 DEAARP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccnn3C)CC2)C[C@H](C)O1 ZINC000093844382 193317468 /nfs/dbraw/zinc/31/74/68/193317468.db2.gz IWQRFFIXYVONOK-IYBDPMFKSA-N 2 0 320.481 2.131 50 0 DEAARP C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000065364713 184328821 /nfs/dbraw/zinc/32/88/21/184328821.db2.gz UNNYHCIJVOIYGI-UHFFFAOYSA-N 2 0 301.434 2.106 50 0 DEAARP CCOC[C@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000071904876 401695294 /nfs/dbraw/zinc/69/52/94/401695294.db2.gz NFUQYYDSSUAFEW-VMWRSERWSA-N 2 0 312.498 2.359 50 0 DEAARP CN1CC2(CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)OC1=O ZINC000072172365 401703739 /nfs/dbraw/zinc/70/37/39/401703739.db2.gz WZEKRIFNVPKCHG-JKSUJKDBSA-N 2 0 321.465 2.168 50 0 DEAARP Cc1cc(N2CCCC[C@H]([NH+](C)C)C2)nc(N2CCCC2)[nH+]1 ZINC000082107152 401899815 /nfs/dbraw/zinc/89/98/15/401899815.db2.gz WKUMAAASLWFPHG-HNNXBMFYSA-N 2 0 303.454 2.306 50 0 DEAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089595010 401953554 /nfs/dbraw/zinc/95/35/54/401953554.db2.gz VCASDZHAFUFHEY-SQNIBIBYSA-N 2 0 323.525 2.340 50 0 DEAARP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH+]1 ZINC000097200847 402116086 /nfs/dbraw/zinc/11/60/86/402116086.db2.gz ZFGAUMXWGFCCBG-INIZCTEOSA-N 2 0 316.449 2.136 50 0 DEAARP COc1ccc(OC2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102124959 402163315 /nfs/dbraw/zinc/16/33/15/402163315.db2.gz MSYZQULCAPRTQS-PIIMJCKOSA-N 2 0 302.418 2.004 50 0 DEAARP c1ccc(-c2nc3c(c(NCC4CC[NH2+]CC4)n2)CC[NH2+]C3)cc1 ZINC000067676127 402167323 /nfs/dbraw/zinc/16/73/23/402167323.db2.gz NVLFNSATNCHIMR-UHFFFAOYSA-N 2 0 323.444 2.201 50 0 DEAARP COc1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C1)CO2 ZINC000102850604 402173359 /nfs/dbraw/zinc/17/33/59/402173359.db2.gz TVVPSCYNIWNYKJ-NNZMDNLPSA-N 2 0 314.429 2.210 50 0 DEAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000069415282 402221518 /nfs/dbraw/zinc/22/15/18/402221518.db2.gz ORFRYDDGPJQERC-UHFFFAOYSA-N 2 0 300.805 2.273 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237728878 402419691 /nfs/dbraw/zinc/41/96/91/402419691.db2.gz LZCSTPKYZLCGEY-DOTOQJQBSA-N 2 0 315.461 2.203 50 0 DEAARP CC1CC[NH+]([C@@H](CNC2=[NH+]CCCN2)c2ccccc2)CC1 ZINC000252478196 402654133 /nfs/dbraw/zinc/65/41/33/402654133.db2.gz AFJKQHBPAABHMU-KRWDZBQOSA-N 2 0 300.450 2.399 50 0 DEAARP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000253426596 402665939 /nfs/dbraw/zinc/66/59/39/402665939.db2.gz JTEJSHASOWYTIL-UHFFFAOYSA-N 2 0 304.482 2.223 50 0 DEAARP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000131636493 196186202 /nfs/dbraw/zinc/18/62/02/196186202.db2.gz QVMVDEPCYPZFMD-CALCHBBNSA-N 2 0 320.481 2.094 50 0 DEAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000408525412 227242333 /nfs/dbraw/zinc/24/23/33/227242333.db2.gz KFPDKPIRUCUXBJ-LSDHHAIUSA-N 2 0 319.449 2.465 50 0 DEAARP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000659991987 425709146 /nfs/dbraw/zinc/70/91/46/425709146.db2.gz DWUZBLWIBUZNHI-KBAYOESNSA-N 2 0 315.461 2.107 50 0 DEAARP c1ccc(N2CC[C@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001506416213 1061960908 /nfs/dbraw/zinc/96/09/08/1061960908.db2.gz VIIVWZWYERPKLG-IBGZPJMESA-N 2 0 308.429 2.483 50 0 DEAARP CCN(CC[NH+]1CCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000823043430 1090661605 /nfs/dbraw/zinc/66/16/05/1090661605.db2.gz MXTCUHSPSNRPJB-UHFFFAOYSA-N 2 0 309.498 2.441 50 0 DEAARP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000090061775 185280156 /nfs/dbraw/zinc/28/01/56/185280156.db2.gz MCQGHMBTQUPYTM-RRFJBIMHSA-N 2 0 307.438 2.026 50 0 DEAARP COCC[NH+]1CCC([C@@H]2c3[nH]cnc3CCN2CC(C)C)CC1 ZINC000072172635 191069209 /nfs/dbraw/zinc/06/92/09/191069209.db2.gz ZJHGHHPPPBVBTO-GOSISDBHSA-N 2 0 320.481 2.323 50 0 DEAARP C[NH+](C)CCCN1CC2(CC[NH+](Cc3ccoc3)CC2)OC1=O ZINC000072426492 191161288 /nfs/dbraw/zinc/16/12/88/191161288.db2.gz HLPALLUPHIDQGI-UHFFFAOYSA-N 2 0 321.421 2.018 50 0 DEAARP Cc1noc(CC[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)n1 ZINC000097095426 355701459 /nfs/dbraw/zinc/70/14/59/355701459.db2.gz AUKORDGPVITEPL-RHSMWYFYSA-N 2 0 314.433 2.421 50 0 DEAARP CC(C)C[C@H]([NH3+])C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1 ZINC000117132083 355775791 /nfs/dbraw/zinc/77/57/91/355775791.db2.gz XTAYXDLVUGSVPW-AWEZNQCLSA-N 2 0 321.469 2.026 50 0 DEAARP C[C@@H](COc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000670439961 540933186 /nfs/dbraw/zinc/93/31/86/540933186.db2.gz IXOCKXAAFIYUAD-KRWDZBQOSA-N 2 0 318.461 2.377 50 0 DEAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C)cc2C)CC1 ZINC000093564955 193269432 /nfs/dbraw/zinc/26/94/32/193269432.db2.gz GIPSKDJLAWVZPG-UHFFFAOYSA-N 2 0 317.477 2.193 50 0 DEAARP C[N@H+](Cc1ccco1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023505280 182362634 /nfs/dbraw/zinc/36/26/34/182362634.db2.gz IBSGJYDMVPYMCY-MSOLQXFVSA-N 2 0 312.413 2.448 50 0 DEAARP CCC[NH+]1CCC([NH2+]CCc2nc(-c3ccccn3)no2)CC1 ZINC000065386695 184333736 /nfs/dbraw/zinc/33/37/36/184333736.db2.gz MDOZNKLXXYUCSS-UHFFFAOYSA-N 2 0 315.421 2.138 50 0 DEAARP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCCO2 ZINC000030907053 401867243 /nfs/dbraw/zinc/86/72/43/401867243.db2.gz AFELRFHTYSWBKN-CYBMUJFWSA-N 2 0 318.417 2.040 50 0 DEAARP Cc1cc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000091690475 401997156 /nfs/dbraw/zinc/99/71/56/401997156.db2.gz AJXGFSFKBNISKP-UHFFFAOYSA-N 2 0 323.444 2.047 50 0 DEAARP O=c1cc(C[NH2+]CCC[NH+]2CCCC2)[nH]c2ccc(F)cc12 ZINC000095367482 402028292 /nfs/dbraw/zinc/02/82/92/402028292.db2.gz YCWMPKFVYJJPGK-UHFFFAOYSA-N 2 0 303.381 2.243 50 0 DEAARP C[NH+]1CCC(C[N@@H+]2CC[C@@H](CNC(=O)C3CCCCC3)C2)CC1 ZINC000067756871 402172055 /nfs/dbraw/zinc/17/20/55/402172055.db2.gz XJYDHDVTJMARBG-KRWDZBQOSA-N 2 0 321.509 2.347 50 0 DEAARP CC(=O)N[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000215658155 402284207 /nfs/dbraw/zinc/28/42/07/402284207.db2.gz PSPQTDRGBBDLEB-HNNXBMFYSA-N 2 0 321.490 2.444 50 0 DEAARP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000225475065 402318560 /nfs/dbraw/zinc/31/85/60/402318560.db2.gz WMTFKEYOBJMWOA-SFHVURJKSA-N 2 0 315.461 2.287 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168510441 402496482 /nfs/dbraw/zinc/49/64/82/402496482.db2.gz QRRWXWAACIJVDL-OIISXLGYSA-N 2 0 303.450 2.235 50 0 DEAARP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000265901523 402960480 /nfs/dbraw/zinc/96/04/80/402960480.db2.gz VDQJEGBWWYRGJX-FUHWJXTLSA-N 2 0 315.461 2.204 50 0 DEAARP [NH3+][C@H]1CC[C@@H](C[NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)CC1 ZINC000243892730 225216998 /nfs/dbraw/zinc/21/69/98/225216998.db2.gz AKCAVXFYWLJJOW-WDYCEAGBSA-N 2 0 314.473 2.455 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOc3ccccc3C2)CC1 ZINC000328589361 529042270 /nfs/dbraw/zinc/04/22/70/529042270.db2.gz FSAFPNZRJDREAF-UHFFFAOYSA-N 2 0 317.477 2.297 50 0 DEAARP C[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000827832295 783693856 /nfs/dbraw/zinc/69/38/56/783693856.db2.gz UKEUZQHCXBNDSJ-HNNXBMFYSA-N 2 0 307.482 2.099 50 0 DEAARP Cc1cc(NCCC[N@@H+]2CCC[C@H](O)C2)c2cc(F)ccc2[nH+]1 ZINC001529113781 1070862677 /nfs/dbraw/zinc/86/26/77/1070862677.db2.gz ITLIMYLAWPVMJP-HNNXBMFYSA-N 2 0 317.408 2.363 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299740436 529440541 /nfs/dbraw/zinc/44/05/41/529440541.db2.gz ZXDCBTPDACODDQ-BHYGNILZSA-N 2 0 303.450 2.093 50 0 DEAARP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237472691 186294863 /nfs/dbraw/zinc/29/48/63/186294863.db2.gz OPCQVHPGJXTIQO-NVXWUHKLSA-N 2 0 315.461 2.144 50 0 DEAARP CC(C)=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000072271381 401705585 /nfs/dbraw/zinc/70/55/85/401705585.db2.gz HTZQYIWDQXXHAA-KRWDZBQOSA-N 2 0 322.497 2.153 50 0 DEAARP O[C@]1(C[NH2+]CCc2cccc(Oc3ccccc3)c2)CC[NH2+]C1 ZINC000077343616 401811460 /nfs/dbraw/zinc/81/14/60/401811460.db2.gz WXRNNBKLNRFFNC-IBGZPJMESA-N 2 0 312.413 2.335 50 0 DEAARP CC(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012707414 401790258 /nfs/dbraw/zinc/79/02/58/401790258.db2.gz XKMLATWWAKIBIB-MRXNPFEDSA-N 2 0 321.509 2.488 50 0 DEAARP O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000089873025 401969365 /nfs/dbraw/zinc/96/93/65/401969365.db2.gz DGFOXRWLVVJPFQ-UHFFFAOYSA-N 2 0 320.396 2.245 50 0 DEAARP C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000095966294 402037631 /nfs/dbraw/zinc/03/76/31/402037631.db2.gz IPCUIUVGQKRVHP-CABCVRRESA-N 2 0 321.440 2.265 50 0 DEAARP CC1CC[NH+](CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000069369325 402220484 /nfs/dbraw/zinc/22/04/84/402220484.db2.gz KFEDIAKKQQIFLO-UHFFFAOYSA-N 2 0 303.450 2.210 50 0 DEAARP CC(C)[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000069444293 402224044 /nfs/dbraw/zinc/22/40/44/402224044.db2.gz NMRQNCJFNICOTD-UHFFFAOYSA-N 2 0 303.450 2.351 50 0 DEAARP OCC1(C[NH+]2CCCC2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000222767604 402308733 /nfs/dbraw/zinc/30/87/33/402308733.db2.gz MXZDDGWMTFFIIN-UHFFFAOYSA-N 2 0 314.473 2.324 50 0 DEAARP CC[NH2+]CC[C@@H]1CCC(=O)N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299785934 403574847 /nfs/dbraw/zinc/57/48/47/403574847.db2.gz PBCAZEOOJYOSSJ-ROUUACIJSA-N 2 0 315.461 2.252 50 0 DEAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CSCCc2ccccc21 ZINC000096477281 278261151 /nfs/dbraw/zinc/26/11/51/278261151.db2.gz GRPHIAPRPHTPOQ-YJBOKZPZSA-N 2 0 319.518 2.243 50 0 DEAARP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246888634 526389003 /nfs/dbraw/zinc/38/90/03/526389003.db2.gz IRYYMANXKWOKDT-AEFFLSMTSA-N 2 0 315.461 2.014 50 0 DEAARP CC1(C)CCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000888096522 635531939 /nfs/dbraw/zinc/53/19/39/635531939.db2.gz HDILABSXNDQFTM-UHFFFAOYSA-N 2 0 322.497 2.034 50 0 DEAARP Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000581807794 784786031 /nfs/dbraw/zinc/78/60/31/784786031.db2.gz NZNIXJQMMQZAGL-MRXNPFEDSA-N 2 0 304.438 2.149 50 0 DEAARP O=C(NCC12CCC[NH+]1CCC2)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072151247 191056138 /nfs/dbraw/zinc/05/61/38/191056138.db2.gz RTTCCRKGFNYOJK-QGZVFWFLSA-N 2 0 313.445 2.122 50 0 DEAARP Cn1c[n+](CCC[n+]2cn(C)c3ccccc32)c2ccccc21 ZINC000002565299 180935788 /nfs/dbraw/zinc/93/57/88/180935788.db2.gz WDJQTURWFRLERK-UHFFFAOYSA-N 2 0 306.413 2.335 50 0 DEAARP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC000169783879 355983087 /nfs/dbraw/zinc/98/30/87/355983087.db2.gz XXNOMPOHRGOJKT-HNNXBMFYSA-N 2 0 303.450 2.074 50 0 DEAARP C[C@H](COc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000670439962 540933166 /nfs/dbraw/zinc/93/31/66/540933166.db2.gz IXOCKXAAFIYUAD-QGZVFWFLSA-N 2 0 318.461 2.377 50 0 DEAARP Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)nc(N2CCCC2)[nH+]1 ZINC000091986237 193136702 /nfs/dbraw/zinc/13/67/02/193136702.db2.gz SNWPXIVJZKCEFW-CVEARBPZSA-N 2 0 315.465 2.162 50 0 DEAARP Cc1ccsc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000057157252 184028473 /nfs/dbraw/zinc/02/84/73/184028473.db2.gz LLNLWTZZFMQKKM-UHFFFAOYSA-N 2 0 311.495 2.402 50 0 DEAARP CC[N@@H+]1CCC[C@@H]1CNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065529218 184360135 /nfs/dbraw/zinc/36/01/35/184360135.db2.gz XIEVNATWGMHRPQ-LLVKDONJSA-N 2 0 317.462 2.233 50 0 DEAARP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(N)=O ZINC000071902479 401694839 /nfs/dbraw/zinc/69/48/39/401694839.db2.gz DMHJUSWQVZIRRT-YOEHRIQHSA-N 2 0 303.450 2.272 50 0 DEAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129787988 401808834 /nfs/dbraw/zinc/80/88/34/401808834.db2.gz TWINCWVESVIWMJ-HZSPNIEDSA-N 2 0 307.404 2.333 50 0 DEAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000096477278 402093664 /nfs/dbraw/zinc/09/36/64/402093664.db2.gz GRPHIAPRPHTPOQ-MAUKXSAKSA-N 2 0 319.518 2.243 50 0 DEAARP C[NH2+]CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000237209780 402399437 /nfs/dbraw/zinc/39/94/37/402399437.db2.gz RJEABIOMSGRYEE-UHFFFAOYSA-N 2 0 315.461 2.253 50 0 DEAARP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC000170073611 402502947 /nfs/dbraw/zinc/50/29/47/402502947.db2.gz GWXOKNKMYMCKTP-MRXNPFEDSA-N 2 0 304.434 2.461 50 0 DEAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)CC1 ZINC000000220778 683830565 /nfs/dbraw/zinc/83/05/65/683830565.db2.gz DHACCHUKAGDYTC-MRXNPFEDSA-N 2 0 309.498 2.441 50 0 DEAARP C[NH+](C)Cc1ccccc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000065370702 784574398 /nfs/dbraw/zinc/57/43/98/784574398.db2.gz QLBBAJTYKKRBCU-UHFFFAOYSA-N 2 0 315.461 2.306 50 0 DEAARP Cc1ccccc1[C@H](C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000072286506 354899665 /nfs/dbraw/zinc/89/96/65/354899665.db2.gz UBOYEDJWLKIBKQ-QGZVFWFLSA-N 2 0 319.493 2.440 50 0 DEAARP Cc1cccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000077376537 191703317 /nfs/dbraw/zinc/70/33/17/191703317.db2.gz OIVQXYABIFFZIQ-QGZVFWFLSA-N 2 0 316.493 2.238 50 0 DEAARP C=Cn1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000194341861 201206629 /nfs/dbraw/zinc/20/66/29/201206629.db2.gz XJDDEHIPMWGXAD-UHFFFAOYSA-N 2 0 317.481 2.024 50 0 DEAARP Cc1cc(N2CCC[N@H+](Cc3cccs3)CC2)nc(N)[nH+]1 ZINC000042106585 183232714 /nfs/dbraw/zinc/23/27/14/183232714.db2.gz HTTKHBZNYKSUMH-UHFFFAOYSA-N 2 0 303.435 2.141 50 0 DEAARP CC(C)(C[NH+]1CCCC1)Nc1nc(CC[NH3+])nc2ccccc21 ZINC000065496245 184354845 /nfs/dbraw/zinc/35/48/45/184354845.db2.gz PVFDLLXEYHPMDP-UHFFFAOYSA-N 2 0 313.449 2.417 50 0 DEAARP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC2=[NH+]CCN2)C1 ZINC000069350435 184508692 /nfs/dbraw/zinc/50/86/92/184508692.db2.gz CMIOSHLADUKYCN-GJZGRUSLSA-N 2 0 300.450 2.213 50 0 DEAARP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000120191393 195115550 /nfs/dbraw/zinc/11/55/50/195115550.db2.gz LIAQUIGIEUFYSJ-MRXNPFEDSA-N 2 0 300.450 2.279 50 0 DEAARP COc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000002254887 401712632 /nfs/dbraw/zinc/71/26/32/401712632.db2.gz YPTJQGIRFIIISJ-MPGHIAIKSA-N 2 0 306.450 2.266 50 0 DEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]C(C)C)cc1OC ZINC000012751265 401790851 /nfs/dbraw/zinc/79/08/51/401790851.db2.gz HFTWZDAOMPWARN-INIZCTEOSA-N 2 0 324.465 2.275 50 0 DEAARP C[NH+](C)C1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000096484339 402094481 /nfs/dbraw/zinc/09/44/81/402094481.db2.gz VLFKBJYQSRUVMU-SJLPKXTDSA-N 3 0 322.541 2.007 50 0 DEAARP C[C@@H]1C[NH+](CC2CC[NH+](CCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000069484321 402225889 /nfs/dbraw/zinc/22/58/89/402225889.db2.gz SPRXGOCAUKSXNA-IAGOWNOFSA-N 2 0 317.477 2.445 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000069518008 402228019 /nfs/dbraw/zinc/22/80/19/402228019.db2.gz OLHJEODFLZUOJW-ZWKOTPCHSA-N 2 0 321.509 2.440 50 0 DEAARP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000240668505 402442512 /nfs/dbraw/zinc/44/25/12/402442512.db2.gz HNCSSJKAPOIAQS-IKGGRYGDSA-N 2 0 324.513 2.375 50 0 DEAARP Nc1nc(N2CC[NH2+][C@@H](c3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000095354712 274966364 /nfs/dbraw/zinc/96/63/64/274966364.db2.gz VUCGFLOUDGHWLN-MRXNPFEDSA-N 2 0 309.417 2.089 50 0 DEAARP CCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001529133892 1070872779 /nfs/dbraw/zinc/87/27/79/1070872779.db2.gz MPVHUQNDYBWXCF-SJLPKXTDSA-N 2 0 303.450 2.103 50 0 DEAARP COc1ccc(F)cc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069876612 190832534 /nfs/dbraw/zinc/83/25/34/190832534.db2.gz RKRXOPZDVWFBFD-CYBMUJFWSA-N 2 0 310.413 2.017 50 0 DEAARP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000169788996 355984127 /nfs/dbraw/zinc/98/41/27/355984127.db2.gz OYGAPXSXENVDAT-GJZGRUSLSA-N 2 0 310.388 2.005 50 0 DEAARP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000163010918 355972427 /nfs/dbraw/zinc/97/24/27/355972427.db2.gz BQGXPVQEKIGHRH-NTNQKNOYSA-N 2 0 300.512 2.386 50 0 DEAARP CC[C@H](CNc1nc(CC[NH3+])nc2ccccc21)[N@H+](C)CC ZINC000065396283 184334947 /nfs/dbraw/zinc/33/49/47/184334947.db2.gz SUXNFYWJZBRZFA-CYBMUJFWSA-N 2 0 301.438 2.273 50 0 DEAARP CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000071904877 401695030 /nfs/dbraw/zinc/69/50/30/401695030.db2.gz NFUQYYDSSUAFEW-VJFUWPCTSA-N 2 0 312.498 2.359 50 0 DEAARP CC(C)C[NH+]1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000065410299 402124865 /nfs/dbraw/zinc/12/48/65/402124865.db2.gz AYOOPKXBAWXZEO-INIZCTEOSA-N 2 0 309.498 2.345 50 0 DEAARP C[C@@H]1C[C@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000237378510 402406347 /nfs/dbraw/zinc/40/63/47/402406347.db2.gz UEDMXQBUJRLGCJ-NVXWUHKLSA-N 2 0 303.450 2.237 50 0 DEAARP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000237516469 402410603 /nfs/dbraw/zinc/41/06/03/402410603.db2.gz ILGHNEHEIMEILG-HOTGVXAUSA-N 2 0 307.482 2.099 50 0 DEAARP Cc1cc(C)c2c(c1)[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)CCCO2 ZINC000170079687 402503026 /nfs/dbraw/zinc/50/30/26/402503026.db2.gz BUQSFMSFEFMSLP-AEFFLSMTSA-N 2 0 304.434 2.173 50 0 DEAARP Cc1ccncc1C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000252480180 402654683 /nfs/dbraw/zinc/65/46/83/402654683.db2.gz BXNCOAFZCSWBIQ-UHFFFAOYSA-N 2 0 304.482 2.238 50 0 DEAARP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000252499102 402656541 /nfs/dbraw/zinc/65/65/41/402656541.db2.gz RVNHTMXIXNPQCA-IBGZPJMESA-N 2 0 313.489 2.256 50 0 DEAARP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269268325 403126734 /nfs/dbraw/zinc/12/67/34/403126734.db2.gz QRRWXWAACIJVDL-XIRDDKMYSA-N 2 0 303.450 2.235 50 0 DEAARP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)CC1 ZINC000585115981 405870062 /nfs/dbraw/zinc/87/00/62/405870062.db2.gz CJTUMLFFBDKNFA-INIZCTEOSA-N 2 0 321.509 2.441 50 0 DEAARP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000237728843 225212610 /nfs/dbraw/zinc/21/26/10/225212610.db2.gz YCTUKHVQUHMCIV-ZWKOTPCHSA-N 2 0 315.461 2.203 50 0 DEAARP COc1ccccc1/C=C\C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000102338675 424847843 /nfs/dbraw/zinc/84/78/43/424847843.db2.gz PESDZANIRYJIFG-WRLNGNIRSA-N 2 0 318.461 2.391 50 0 DEAARP CN(CC[N@H+](C)C1CCCC1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000952984896 792865336 /nfs/dbraw/zinc/86/53/36/792865336.db2.gz UERZOUSYMNAUKD-KRWDZBQOSA-N 2 0 303.450 2.409 50 0 DEAARP CN(C)c1ncc(C[NH+]2CCC3(CC2)CCC[N@H+](C)CC3)cn1 ZINC000823777499 1090697207 /nfs/dbraw/zinc/69/72/07/1090697207.db2.gz CCFMCCDVTMYPFZ-UHFFFAOYSA-N 2 0 317.481 2.241 50 0 DEAARP Cc1cc(C)c2[nH+]ccc(NCC[NH+]3CCC(CO)CC3)c2c1 ZINC000584887062 357325013 /nfs/dbraw/zinc/32/50/13/357325013.db2.gz KTXBCUPZKLGCTL-UHFFFAOYSA-N 2 0 313.445 2.390 50 0 DEAARP C[N@@H+]1CC[C@@](C)(C(=O)N2CCC[NH+](C3CCCCC3)CC2)C1 ZINC000584884447 357325503 /nfs/dbraw/zinc/32/55/03/357325503.db2.gz UMQOZXFDIDJYOL-GOSISDBHSA-N 2 0 307.482 2.195 50 0 DEAARP CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000584904625 357332237 /nfs/dbraw/zinc/33/22/37/357332237.db2.gz NIQBWUJVHGOJEN-MRXNPFEDSA-N 2 0 302.418 2.051 50 0 DEAARP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000269222601 207341651 /nfs/dbraw/zinc/34/16/51/207341651.db2.gz APJKFNJQYRQZTQ-RDJZCZTQSA-N 2 0 315.461 2.287 50 0 DEAARP CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000117342895 401874822 /nfs/dbraw/zinc/87/48/22/401874822.db2.gz LIDORROVBSYPOL-MRXNPFEDSA-N 2 0 309.498 2.488 50 0 DEAARP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054510557 402068409 /nfs/dbraw/zinc/06/84/09/402068409.db2.gz RJOOPUHVRSOULR-CQSZACIVSA-N 2 0 324.513 2.327 50 0 DEAARP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000225475104 402318524 /nfs/dbraw/zinc/31/85/24/402318524.db2.gz WMTFKEYOBJMWOA-GOSISDBHSA-N 2 0 315.461 2.287 50 0 DEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000239722383 402441624 /nfs/dbraw/zinc/44/16/24/402441624.db2.gz CCOBGPMHRIPQIJ-UHFFFAOYSA-N 2 0 317.477 2.166 50 0 DEAARP CC1CC[NH+]([C@H](CNC2=[NH+]CCCN2)c2ccccc2)CC1 ZINC000252478197 402653879 /nfs/dbraw/zinc/65/38/79/402653879.db2.gz AFJKQHBPAABHMU-QGZVFWFLSA-N 2 0 300.450 2.399 50 0 DEAARP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000299802883 403579500 /nfs/dbraw/zinc/57/95/00/403579500.db2.gz RQYFXHHHQMAXJM-GOSISDBHSA-N 2 0 315.461 2.288 50 0 DEAARP c1c(C[NH+]2CCC3(CCc4ccccc43)CC2)nn2c1C[NH2+]CC2 ZINC000072160882 275062884 /nfs/dbraw/zinc/06/28/84/275062884.db2.gz DBLUKRXLSRHCEZ-UHFFFAOYSA-N 2 0 322.456 2.466 50 0 DEAARP CC(C)[N@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000408521273 528869480 /nfs/dbraw/zinc/86/94/80/528869480.db2.gz OAFFDTPCHDBILQ-UHFFFAOYSA-N 2 0 303.450 2.368 50 0 DEAARP C[C@@H]1OC2(C[C@H]1[NH2+]C[C@](C)(O)c1ccsc1)CC[NH+](C)CC2 ZINC000888099282 635547285 /nfs/dbraw/zinc/54/72/85/635547285.db2.gz YOYUFQYTBJVMIG-IMJJTQAJSA-N 2 0 324.490 2.187 50 0 DEAARP