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[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000160647016 367024062 /nfs/dbraw/zinc/02/40/62/367024062.db2.gz OBKAADFMACNFJI-ZFWWWQNUSA-N 2 0 268.445 2.390 20 70 CEIDRP COCCOc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161450660 367087685 /nfs/dbraw/zinc/08/76/85/367087685.db2.gz WCAUWEIGPTVZBO-AWEZNQCLSA-N 2 0 292.423 2.457 20 70 CEIDRP CC[C@H](C)N(C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217891183 370203352 /nfs/dbraw/zinc/20/33/52/370203352.db2.gz OBOPRZTXYTUNJO-HNNXBMFYSA-N 2 0 290.455 2.370 20 70 CEIDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)CC[N@@H+]1C ZINC000160537818 395060712 /nfs/dbraw/zinc/06/07/12/395060712.db2.gz BZOWMUOUMPPBOW-RDBSUJKOSA-N 2 0 287.407 2.185 20 70 CEIDRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160239784 287378600 /nfs/dbraw/zinc/37/86/00/287378600.db2.gz OQSLSZLAMLTFLE-HUUCEWRRSA-N 2 0 281.488 2.427 20 70 CEIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C ZINC000160242737 312637454 /nfs/dbraw/zinc/63/74/54/312637454.db2.gz GNIBXOCDBIEDND-OAHLLOKOSA-N 2 0 255.450 2.037 20 70 CEIDRP CCC1(CO)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161461603 519844160 /nfs/dbraw/zinc/84/41/60/519844160.db2.gz WBTUHBWJCJZRGM-UHFFFAOYSA-N 2 0 268.445 2.347 20 70 CEIDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000160182036 366979550 /nfs/dbraw/zinc/97/95/50/366979550.db2.gz OKTFOEHJWWYODP-GOSISDBHSA-N 2 0 287.451 2.290 20 70 CEIDRP CC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161172317 367063911 /nfs/dbraw/zinc/06/39/11/367063911.db2.gz CENFKTOZLNGXTR-PMPSAXMXSA-N 2 0 267.461 2.181 20 70 CEIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000160728147 367030280 /nfs/dbraw/zinc/03/02/80/367030280.db2.gz ZKRWWIQOWLJFJJ-CABCVRRESA-N 2 0 256.434 2.248 20 70 CEIDRP CCN(CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000217503561 153296692 /nfs/dbraw/zinc/29/66/92/153296692.db2.gz YQTZGDHBLBMEGH-UHFFFAOYSA-N 2 0 288.439 2.124 20 70 CEIDRP Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000160279983 278854406 /nfs/dbraw/zinc/85/44/06/278854406.db2.gz HVUQIRHDNGLKLE-AWEZNQCLSA-N 2 0 279.428 2.265 20 70 CEIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C(C)C)cn2)CC1 ZINC000159480579 366918340 /nfs/dbraw/zinc/91/83/40/366918340.db2.gz SOPUAAARCKCSPF-HNNXBMFYSA-N 2 0 290.455 2.358 20 70 CEIDRP OCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000160111449 162322405 /nfs/dbraw/zinc/32/24/05/162322405.db2.gz UZWHXSXAAQRFJI-UHFFFAOYSA-N 2 0 289.423 2.193 20 70 CEIDRP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000161106474 522925102 /nfs/dbraw/zinc/92/51/02/522925102.db2.gz RABOYQQYANDERI-LJISPDSOSA-N 2 0 254.418 2.264 20 70 CEIDRP CC(C)(O)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161445536 395064454 /nfs/dbraw/zinc/06/44/54/395064454.db2.gz ZTDYAUGDZJKRLS-AWEZNQCLSA-N 2 0 254.418 2.098 20 70 CEIDRP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2F)CCN1C ZINC000160058678 162322277 /nfs/dbraw/zinc/32/22/77/162322277.db2.gz MSUQIZOJRKHAEL-AAEUAGOBSA-N 2 0 284.350 2.416 20 70 CEIDRP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160593779 276252471 /nfs/dbraw/zinc/25/24/71/276252471.db2.gz JMBHYDHPSYPFEB-IYBDPMFKSA-N 2 0 295.471 2.242 20 70 CEIDRP CC(=O)NC1CCC([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000161232626 278088475 /nfs/dbraw/zinc/08/84/75/278088475.db2.gz NWQYOOLYLXSQKY-UHFFFAOYSA-N 2 0 295.471 2.145 20 70 CEIDRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000160147290 290384525 /nfs/dbraw/zinc/38/45/25/290384525.db2.gz TVUYEGJCXGZGNA-HNNXBMFYSA-N 2 0 295.471 2.051 20 70 CEIDRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161001150 533796414 /nfs/dbraw/zinc/79/64/14/533796414.db2.gz GWBGVLJLKTYJIZ-CABCVRRESA-N 2 0 254.418 2.098 20 70 CEIDRP CC[N@H+](C)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161396670 520248091 /nfs/dbraw/zinc/24/80/91/520248091.db2.gz FHBPSEBWAVSNMI-INIZCTEOSA-N 2 0 267.461 2.136 20 70 CEIDRP CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161190639 249319599 /nfs/dbraw/zinc/31/95/99/249319599.db2.gz TVEMGJZVWGDMPV-CVEARBPZSA-N 2 0 268.445 2.488 20 70 CEIDRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000217664560 153297683 /nfs/dbraw/zinc/29/76/83/153297683.db2.gz XTPJACNDNINFCF-XHSDSOJGSA-N 2 0 267.461 2.229 20 70 CEIDRP CC(=O)NC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000161230186 278088529 /nfs/dbraw/zinc/08/85/29/278088529.db2.gz ZCXIFPZLEFOWAH-OOHWJJMZSA-N 2 0 295.471 2.288 20 70 CEIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161068246 297441188 /nfs/dbraw/zinc/44/11/88/297441188.db2.gz SIFPYXCKZXRQTE-ZIAGYGMSSA-N 2 0 289.414 2.178 20 70 CEIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C ZINC000160242619 312637711 /nfs/dbraw/zinc/63/77/11/312637711.db2.gz GNIBXOCDBIEDND-HNNXBMFYSA-N 2 0 255.450 2.037 20 70 CEIDRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161112896 367058375 /nfs/dbraw/zinc/05/83/75/367058375.db2.gz GYQGCDXYJUFYBV-ZNMIVQPWSA-N 2 0 283.460 2.096 20 70 CEIDRP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160752137 367031688 /nfs/dbraw/zinc/03/16/88/367031688.db2.gz UPDLQZNLNFQERJ-HZPDHXFCSA-N 2 0 268.445 2.248 20 70 CEIDRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000217437484 153299260 /nfs/dbraw/zinc/29/92/60/153299260.db2.gz ATERHPCJEFUPDP-IXDOHACOSA-N 2 0 279.472 2.371 20 70 CEIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160750276 522826976 /nfs/dbraw/zinc/82/69/76/522826976.db2.gz RCEJHGJPYDQHMC-HUUCEWRRSA-N 2 0 254.418 2.002 20 70 CEIDRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[NH3+] ZINC000218300337 539342121 /nfs/dbraw/zinc/34/21/21/539342121.db2.gz ABQCDCCUTHFRDU-VHSXEESVSA-N 2 0 271.202 2.317 20 70 CEIDRP Cc1cccc(C)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000160412211 188470514 /nfs/dbraw/zinc/47/05/14/188470514.db2.gz ZWYGDIFHRBKSPM-UHFFFAOYSA-N 2 0 275.440 2.031 20 70 CEIDRP C[C@H]1C[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110658 366975277 /nfs/dbraw/zinc/97/52/77/366975277.db2.gz BUXKMJQYMDPYNL-YOEHRIQHSA-N 2 0 293.430 2.330 20 70 CEIDRP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161045207 297441000 /nfs/dbraw/zinc/44/10/00/297441000.db2.gz LKYTYUHRBYFCDX-GOEBONIOSA-N 2 0 289.423 2.067 20 70 CEIDRP CC(C)[C@](C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160193919 162325000 /nfs/dbraw/zinc/32/50/00/162325000.db2.gz LKHFTWQHEGKGJF-MRXNPFEDSA-N 2 0 268.445 2.201 20 70 CEIDRP c1cnn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000161034110 526553430 /nfs/dbraw/zinc/55/34/30/526553430.db2.gz IWZJEGOJWPCFKO-UHFFFAOYSA-N 2 0 276.428 2.396 20 70 CEIDRP CCOC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161393223 528938860 /nfs/dbraw/zinc/93/88/60/528938860.db2.gz ZAJGWHLGHIEMKT-OAHLLOKOSA-N 2 0 254.418 2.221 20 70 CEIDRP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000160480936 540117032 /nfs/dbraw/zinc/11/70/32/540117032.db2.gz YGCADSBAJOFKFJ-GOEBONIOSA-N 2 0 266.429 2.002 20 70 CEIDRP c1cn(CC[N@H+](C[C@H]2CCCO2)C2CCCC2)cn1 ZINC000159850098 366952801 /nfs/dbraw/zinc/95/28/01/366952801.db2.gz UQGVIHPOBILFJV-OAHLLOKOSA-N 2 0 263.385 2.307 20 70 CEIDRP C[C@@H]1C[C@@H](N(C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160591005 367021050 /nfs/dbraw/zinc/02/10/50/367021050.db2.gz ZHEIUWPXWCWXHK-KGLIPLIRSA-N 2 0 272.396 2.249 20 70 CEIDRP C[C@@H]1C[C@H](N(C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160590743 367021436 /nfs/dbraw/zinc/02/14/36/367021436.db2.gz ZHEIUWPXWCWXHK-ZIAGYGMSSA-N 2 0 272.396 2.249 20 70 CEIDRP Cn1cc(C[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000161366169 527232999 /nfs/dbraw/zinc/23/29/99/527232999.db2.gz WMHQAKQRCQZTOT-INIZCTEOSA-N 2 0 290.455 2.161 20 70 CEIDRP OCC[N@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000161446378 527548172 /nfs/dbraw/zinc/54/81/72/527548172.db2.gz LVJATNMUJTUIFQ-UHFFFAOYSA-N 2 0 268.445 2.489 20 70 CEIDRP COC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000160513014 540617215 /nfs/dbraw/zinc/61/72/15/540617215.db2.gz KUPFOTHKKPCYBO-INIZCTEOSA-N 2 0 266.429 2.408 20 70 CEIDRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)CC[N@@H+]1C ZINC000160537533 395061081 /nfs/dbraw/zinc/06/10/81/395061081.db2.gz BZOWMUOUMPPBOW-HZSPNIEDSA-N 2 0 287.407 2.185 20 70 CEIDRP CC(=O)NC1CCC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000161493934 519645806 /nfs/dbraw/zinc/64/58/06/519645806.db2.gz BIPQZEVTIUINLE-GPANFISMSA-N 2 0 297.487 2.390 20 70 CEIDRP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000161266798 367072880 /nfs/dbraw/zinc/07/28/80/367072880.db2.gz PMIKRLJYHMPGNW-UHFFFAOYSA-N 2 0 291.439 2.130 20 70 CEIDRP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000217941061 280255407 /nfs/dbraw/zinc/25/54/07/280255407.db2.gz BTUQBVPILYDVHT-HZMVEIRTSA-N 2 0 281.488 2.425 20 70 CEIDRP CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000159514031 297429012 /nfs/dbraw/zinc/42/90/12/297429012.db2.gz OFTMNJUCKNBMPW-CQSZACIVSA-N 2 0 276.428 2.112 20 70 CEIDRP C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159729370 366943381 /nfs/dbraw/zinc/94/33/81/366943381.db2.gz JESUVUWQXUVPLW-UONOGXRCSA-N 2 0 268.445 2.390 20 70 CEIDRP C[C@@H]([NH2+]CC(C)(C)O)c1ccc(OCC[NH+](C)C)cc1 ZINC000160587743 367019474 /nfs/dbraw/zinc/01/94/74/367019474.db2.gz ARYCBQYWSISXGQ-CYBMUJFWSA-N 2 0 280.412 2.049 20 70 CEIDRP CCOCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160292620 286056385 /nfs/dbraw/zinc/05/63/85/286056385.db2.gz ZWLCJXJTOJJEON-HZPDHXFCSA-N 2 0 298.471 2.234 20 70 CEIDRP C(C[N@H+](C[C@@H]1CCOC1)C1CC1)C[NH+]1CCCCC1 ZINC000161273982 518385239 /nfs/dbraw/zinc/38/52/39/518385239.db2.gz BOWBVRSDNUPDFP-HNNXBMFYSA-N 2 0 266.429 2.363 20 70 CEIDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)O)CC2)C1 ZINC000160616686 524204287 /nfs/dbraw/zinc/20/42/87/524204287.db2.gz VGFHBVWAKRSQRU-ZFWWWQNUSA-N 2 0 268.445 2.390 20 70 CEIDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)O)CC2)C1 ZINC000160616816 524301930 /nfs/dbraw/zinc/30/19/30/524301930.db2.gz VGFHBVWAKRSQRU-UKRRQHHQSA-N 2 0 268.445 2.390 20 70 CEIDRP CCOC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161393329 529029420 /nfs/dbraw/zinc/02/94/20/529029420.db2.gz ZAJGWHLGHIEMKT-HNNXBMFYSA-N 2 0 254.418 2.221 20 70 CEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000160255696 299296537 /nfs/dbraw/zinc/29/65/37/299296537.db2.gz ADLVQODTQICUEP-ZDUSSCGKSA-N 2 0 255.450 2.037 20 70 CEIDRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)N1CCc2ccccc21 ZINC000159919968 279353246 /nfs/dbraw/zinc/35/32/46/279353246.db2.gz NWFSFZIVMHPMJA-UXLLHSPISA-N 2 0 287.451 2.367 20 70 CEIDRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000161106104 522712713 /nfs/dbraw/zinc/71/27/13/522712713.db2.gz RABOYQQYANDERI-KBXIAJHMSA-N 2 0 254.418 2.264 20 70 CEIDRP CC[NH+]1CCC(N(C)CCC[NH+]2CCCCC2)CC1 ZINC000161400261 528971278 /nfs/dbraw/zinc/97/12/78/528971278.db2.gz UIILEYGKJYISMQ-UHFFFAOYSA-N 2 0 267.461 2.279 20 70 CEIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C(C)C)cn2)CC1 ZINC000159480705 366917814 /nfs/dbraw/zinc/91/78/14/366917814.db2.gz SOPUAAARCKCSPF-OAHLLOKOSA-N 2 0 290.455 2.358 20 70 CEIDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000160147138 395060430 /nfs/dbraw/zinc/06/04/30/395060430.db2.gz TVUYEGJCXGZGNA-OAHLLOKOSA-N 2 0 295.471 2.051 20 70 CEIDRP CC(C)[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160194059 277851256 /nfs/dbraw/zinc/85/12/56/277851256.db2.gz LKHFTWQHEGKGJF-INIZCTEOSA-N 2 0 268.445 2.201 20 70 CEIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H](C)C1 ZINC000160781880 521714475 /nfs/dbraw/zinc/71/44/75/521714475.db2.gz ZATVEOFZUQRRRJ-ZIAGYGMSSA-N 2 0 294.443 2.446 20 70 CEIDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)O)CC2)C1 ZINC000160616916 524144604 /nfs/dbraw/zinc/14/46/04/524144604.db2.gz VGFHBVWAKRSQRU-DZGCQCFKSA-N 2 0 268.445 2.390 20 70 CEIDRP Cc1cccc2nc(C[NH2+][C@H](C)C3CC[NH+](C)CC3)cn21 ZINC000160343715 540598377 /nfs/dbraw/zinc/59/83/77/540598377.db2.gz FBWOMMCEPXHLPR-CQSZACIVSA-N 2 0 286.423 2.463 20 70 CEIDRP CC(C)c1noc(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000160825878 540665263 /nfs/dbraw/zinc/66/52/63/540665263.db2.gz HAQRYNXPLMHSIM-CYBMUJFWSA-N 2 0 294.443 2.446 20 70 CEIDRP CC[NH2+]Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000161268101 367073489 /nfs/dbraw/zinc/07/34/89/367073489.db2.gz QKSPUJWZBMSDBN-MRXNPFEDSA-N 2 0 275.396 2.124 20 70 CEIDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C(C1CC1)C1CC1 ZINC000160684507 367027400 /nfs/dbraw/zinc/02/74/00/367027400.db2.gz XAMMMDNVWNUMIA-HNNXBMFYSA-N 2 0 266.429 2.002 20 70 CEIDRP c1cc2c(cc1CN[C@@H]1CC[N@@H+]3CCCC[C@@H]13)OCCO2 ZINC000217632992 370197833 /nfs/dbraw/zinc/19/78/33/370197833.db2.gz XEONCWRTEGQKGG-CABCVRRESA-N 2 0 288.391 2.174 20 70 CEIDRP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217033726 153296578 /nfs/dbraw/zinc/29/65/78/153296578.db2.gz LUQDWTCTWKUPPZ-CVEARBPZSA-N 2 0 295.471 2.003 20 70 CEIDRP COCCCOC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161230873 536596871 /nfs/dbraw/zinc/59/68/71/536596871.db2.gz PSPIBBOWPKIFHN-UHFFFAOYSA-N 2 0 298.471 2.380 20 70 CEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000160180651 366979464 /nfs/dbraw/zinc/97/94/64/366979464.db2.gz SOXWFBYPPHCFAH-HNNXBMFYSA-N 2 0 275.440 2.363 20 70 CEIDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161068353 367053528 /nfs/dbraw/zinc/05/35/28/367053528.db2.gz SIFPYXCKZXRQTE-KGLIPLIRSA-N 2 0 289.414 2.178 20 70 CEIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000161139673 279536782 /nfs/dbraw/zinc/53/67/82/279536782.db2.gz UQIRPLSGCWIPQX-QEJZJMRPSA-N 2 0 254.418 2.264 20 70 CEIDRP C(CN1CCC([NH+]2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000161280436 518386497 /nfs/dbraw/zinc/38/64/97/518386497.db2.gz WWPGSZSRUXDSFF-UHFFFAOYSA-N 2 0 279.472 2.423 20 70 CEIDRP C[N@@H+]1CCC[C@@H]2CN(CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000161416616 523834061 /nfs/dbraw/zinc/83/40/61/523834061.db2.gz RGXBLHIZWPTVLO-SJORKVTESA-N 2 0 279.472 2.279 20 70 CEIDRP C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159729503 366943334 /nfs/dbraw/zinc/94/33/34/366943334.db2.gz JESUVUWQXUVPLW-ZIAGYGMSSA-N 2 0 268.445 2.390 20 70 CEIDRP CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000159514185 366920725 /nfs/dbraw/zinc/92/07/25/366920725.db2.gz OFTMNJUCKNBMPW-AWEZNQCLSA-N 2 0 276.428 2.112 20 70 CEIDRP CC(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccsc2)CC1 ZINC000160112689 366975628 /nfs/dbraw/zinc/97/56/28/366975628.db2.gz HGDIXMYTJSECSB-HNNXBMFYSA-N 2 0 282.453 2.418 20 70 CEIDRP Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000160279837 366991029 /nfs/dbraw/zinc/99/10/29/366991029.db2.gz HVUQIRHDNGLKLE-CQSZACIVSA-N 2 0 279.428 2.265 20 70 CEIDRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000161113203 367058307 /nfs/dbraw/zinc/05/83/07/367058307.db2.gz WONMZPXSPGHKGK-OCCSQVGLSA-N 2 0 276.380 2.030 20 70 CEIDRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)[C@H](C)C1 ZINC000161460708 367089270 /nfs/dbraw/zinc/08/92/70/367089270.db2.gz LLMOIWCJJONFQX-PVAVHDDUSA-N 2 0 276.424 2.082 20 70 CEIDRP COC(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000160072053 162321963 /nfs/dbraw/zinc/32/19/63/162321963.db2.gz OVVYXKBYUZOXQZ-UHFFFAOYSA-N 2 0 263.385 2.065 20 70 CEIDRP CC[N@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000217419767 279206820 /nfs/dbraw/zinc/20/68/20/279206820.db2.gz RLNTYQOVMJRUTB-HZPDHXFCSA-N 2 0 259.397 2.205 20 70 CEIDRP C[N@@H+]1CCC[C@H]2CN(CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000161416479 523857841 /nfs/dbraw/zinc/85/78/41/523857841.db2.gz RGXBLHIZWPTVLO-IRXDYDNUSA-N 2 0 279.472 2.279 20 70 CEIDRP C[NH+](C)CCC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160498202 524051786 /nfs/dbraw/zinc/05/17/86/524051786.db2.gz GVWKJDAHBCVILM-UHFFFAOYSA-N 2 0 286.423 2.498 20 70 CEIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403079 524898505 /nfs/dbraw/zinc/89/85/05/524898505.db2.gz PCHRUPMEBGWGCB-PVAVHDDUSA-N 2 0 281.488 2.427 20 70 CEIDRP C[C@@H]([NH2+][C@H](CCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000161099928 540718883 /nfs/dbraw/zinc/71/88/83/540718883.db2.gz MATTYBPAGWSPBC-RHSMWYFYSA-N 2 0 276.424 2.430 20 70 CEIDRP C[C@@H]1C[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110276 366975488 /nfs/dbraw/zinc/97/54/88/366975488.db2.gz BUXKMJQYMDPYNL-RHSMWYFYSA-N 2 0 293.430 2.330 20 70 CEIDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000217624491 279367224 /nfs/dbraw/zinc/36/72/24/279367224.db2.gz OBSVTKJQMKLIKK-KFWWJZLASA-N 2 0 267.461 2.370 20 70 CEIDRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159539738 517309233 /nfs/dbraw/zinc/30/92/33/517309233.db2.gz WHRJCZBUSIHTAJ-CQSZACIVSA-N 2 0 254.443 2.346 20 70 CEIDRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161001026 232253351 /nfs/dbraw/zinc/25/33/51/232253351.db2.gz GWBGVLJLKTYJIZ-GJZGRUSLSA-N 2 0 254.418 2.098 20 70 CEIDRP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccsc2)CC1 ZINC000160112836 366975396 /nfs/dbraw/zinc/97/53/96/366975396.db2.gz HGDIXMYTJSECSB-OAHLLOKOSA-N 2 0 282.453 2.418 20 70 CEIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161062727 367053660 /nfs/dbraw/zinc/05/36/60/367053660.db2.gz JIBBSXGQCCMXEM-SUJAAXHWSA-N 2 0 267.461 2.178 20 70 CEIDRP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000217914189 370202925 /nfs/dbraw/zinc/20/29/25/370202925.db2.gz MOZOXTODTUFDPD-DZGCQCFKSA-N 2 0 275.396 2.012 20 70 CEIDRP CC[N@H+](CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000217516852 153298320 /nfs/dbraw/zinc/29/83/20/153298320.db2.gz UYWWVJVRUZPHTC-CABCVRRESA-N 2 0 267.461 2.371 20 70 CEIDRP COC(=O)[C@H](C)C[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160843886 277116378 /nfs/dbraw/zinc/11/63/78/277116378.db2.gz KTQBFVLLDCGLBZ-CQSZACIVSA-N 2 0 282.428 2.136 20 70 CEIDRP CN(Cc1cc2c(c(Cl)c1)OCO2)[C@@H](C[NH3+])C1CC1 ZINC000160030599 366967052 /nfs/dbraw/zinc/96/70/52/366967052.db2.gz KOHVPMCFTLZUGK-LBPRGKRZSA-N 2 0 282.771 2.238 20 70 CEIDRP C[C@H]1CCC[C@H](C)C1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160239656 366985459 /nfs/dbraw/zinc/98/54/59/366985459.db2.gz OQSLSZLAMLTFLE-GJZGRUSLSA-N 2 0 281.488 2.427 20 70 CEIDRP C[C@H]1C[C@@H](N(C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160591200 367021359 /nfs/dbraw/zinc/02/13/59/367021359.db2.gz ZHEIUWPXWCWXHK-KBPBESRZSA-N 2 0 272.396 2.249 20 70 CEIDRP CCCCC[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000161084061 367055155 /nfs/dbraw/zinc/05/51/55/367055155.db2.gz DQVMAVSYAFBJAR-UHFFFAOYSA-N 2 0 256.434 2.347 20 70 CEIDRP COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000217642361 370198121 /nfs/dbraw/zinc/19/81/21/370198121.db2.gz IIUVGMMUIBDDTA-CABCVRRESA-N 2 0 290.407 2.420 20 70 CEIDRP CCc1nn(C)c(CC)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160241578 162324606 /nfs/dbraw/zinc/32/46/06/162324606.db2.gz CNXKXAIXVQRYNU-UONOGXRCSA-N 2 0 290.455 2.261 20 70 CEIDRP CC[NH+](CC)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161323018 279168788 /nfs/dbraw/zinc/16/87/88/279168788.db2.gz HDBGOANFXHBHGM-INIZCTEOSA-N 2 0 267.461 2.279 20 70 CEIDRP C[C@H]([NH2+]CC(C)(C)O)c1ccc(OCC[NH+](C)C)cc1 ZINC000160587615 367018926 /nfs/dbraw/zinc/01/89/26/367018926.db2.gz ARYCBQYWSISXGQ-ZDUSSCGKSA-N 2 0 280.412 2.049 20 70 CEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000160269163 287027372 /nfs/dbraw/zinc/02/73/72/287027372.db2.gz IUFLZMFFRKUTIB-CQSZACIVSA-N 2 0 267.461 2.181 20 70 CEIDRP CC[C@@H](C)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160164709 312636308 /nfs/dbraw/zinc/63/63/08/312636308.db2.gz RDEWKBIYCYRZGX-KGLIPLIRSA-N 2 0 255.450 2.037 20 70 CEIDRP OCC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161332126 527561360 /nfs/dbraw/zinc/56/13/60/527561360.db2.gz QBUZGVHKQBZSMD-HNNXBMFYSA-N 2 0 254.418 2.099 20 70 CEIDRP C(CN1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161318770 367076707 /nfs/dbraw/zinc/07/67/07/367076707.db2.gz QKZBAUJBWYJBNJ-INIZCTEOSA-N 2 0 265.445 2.033 20 70 CEIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481092 367091019 /nfs/dbraw/zinc/09/10/19/367091019.db2.gz BSBOSVYXRGHKCL-OHFALNGGSA-N 2 0 276.424 2.081 20 70 CEIDRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+](C)C1CC1 ZINC000217542113 370197236 /nfs/dbraw/zinc/19/72/36/370197236.db2.gz IICSBQWUUZQNMU-LYRGGWFBSA-N 2 0 259.397 2.204 20 70 CEIDRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)C1CC1 ZINC000217612233 370198692 /nfs/dbraw/zinc/19/86/92/370198692.db2.gz NYGWXMVGJVTITJ-AWEZNQCLSA-N 2 0 288.439 2.123 20 70 CEIDRP OCCCC[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000161223479 249319736 /nfs/dbraw/zinc/31/97/36/249319736.db2.gz USQORHSCOOWOKA-UHFFFAOYSA-N 2 0 254.418 2.099 20 70 CEIDRP CC(=O)NC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000161230062 277024607 /nfs/dbraw/zinc/02/46/07/277024607.db2.gz ZCXIFPZLEFOWAH-ODIFPOPNSA-N 2 0 295.471 2.288 20 70 CEIDRP CC[C@H](C)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160164575 312636061 /nfs/dbraw/zinc/63/60/61/312636061.db2.gz RDEWKBIYCYRZGX-UONOGXRCSA-N 2 0 255.450 2.037 20 70 CEIDRP C[C@H](O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161001265 232253326 /nfs/dbraw/zinc/25/33/26/232253326.db2.gz GWBGVLJLKTYJIZ-LSDHHAIUSA-N 2 0 254.418 2.098 20 70 CEIDRP C[C@H]([NH2+]Cc1cn2ccccc2n1)C1CC[NH+](C)CC1 ZINC000159440172 540407154 /nfs/dbraw/zinc/40/71/54/540407154.db2.gz ZJSGANSBDSJRBW-ZDUSSCGKSA-N 2 0 272.396 2.154 20 70 CEIDRP C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159729645 366943262 /nfs/dbraw/zinc/94/32/62/366943262.db2.gz JESUVUWQXUVPLW-KBPBESRZSA-N 2 0 268.445 2.390 20 70 CEIDRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000159450207 366914674 /nfs/dbraw/zinc/91/46/74/366914674.db2.gz FWVQNWFNFFNFGX-ZIAGYGMSSA-N 2 0 299.459 2.316 20 70 CEIDRP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000161113310 367057614 /nfs/dbraw/zinc/05/76/14/367057614.db2.gz WONMZPXSPGHKGK-JSGCOSHPSA-N 2 0 276.380 2.030 20 70 CEIDRP CCc1nn(C)c(CC)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160241448 162324539 /nfs/dbraw/zinc/32/45/39/162324539.db2.gz CNXKXAIXVQRYNU-ZIAGYGMSSA-N 2 0 290.455 2.261 20 70 CEIDRP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160266024 162326367 /nfs/dbraw/zinc/32/63/67/162326367.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 2 0 267.461 2.181 20 70 CEIDRP C(CN1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161318902 276809782 /nfs/dbraw/zinc/80/97/82/276809782.db2.gz QKZBAUJBWYJBNJ-MRXNPFEDSA-N 2 0 265.445 2.033 20 70 CEIDRP CC[NH+](CC)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161322886 279151922 /nfs/dbraw/zinc/15/19/22/279151922.db2.gz HDBGOANFXHBHGM-MRXNPFEDSA-N 2 0 267.461 2.279 20 70 CEIDRP CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161190437 535998036 /nfs/dbraw/zinc/99/80/36/535998036.db2.gz TVEMGJZVWGDMPV-HOTGVXAUSA-N 2 0 268.445 2.488 20 70 CEIDRP CCCn1nccc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000160124037 540112301 /nfs/dbraw/zinc/11/23/01/540112301.db2.gz NXOKIDXRSHKTOA-UHFFFAOYSA-N 2 0 264.417 2.115 20 70 CEIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481211 367091093 /nfs/dbraw/zinc/09/10/93/367091093.db2.gz BSBOSVYXRGHKCL-TXCZRRACSA-N 2 0 276.424 2.081 20 70 CEIDRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+](C)C1CC1 ZINC000217541962 370196819 /nfs/dbraw/zinc/19/68/19/370196819.db2.gz IICSBQWUUZQNMU-HFBAOOFYSA-N 2 0 259.397 2.204 20 70 CEIDRP CCOCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000160292744 276453801 /nfs/dbraw/zinc/45/38/01/276453801.db2.gz ZWLCJXJTOJJEON-HOTGVXAUSA-N 2 0 298.471 2.234 20 70 CEIDRP C(C[N@H+](C[C@H]1CCOC1)C1CC1)C[NH+]1CCCCC1 ZINC000161274102 518384950 /nfs/dbraw/zinc/38/49/50/518384950.db2.gz BOWBVRSDNUPDFP-OAHLLOKOSA-N 2 0 266.429 2.363 20 70 CEIDRP CC(C)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161215551 519725527 /nfs/dbraw/zinc/72/55/27/519725527.db2.gz SJXHGGFCWRUSDT-UHFFFAOYSA-N 2 0 267.461 2.136 20 70 CEIDRP CCCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000160163557 540112695 /nfs/dbraw/zinc/11/26/95/540112695.db2.gz NVLGQLKSRBXOHX-GOOCMWNKSA-N 2 0 276.428 2.398 20 70 CEIDRP Cc1cccc2nc(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)cn21 ZINC000160343580 540598355 /nfs/dbraw/zinc/59/83/55/540598355.db2.gz FBWOMMCEPXHLPR-AWEZNQCLSA-N 2 0 286.423 2.463 20 70 CEIDRP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000160481068 367009588 /nfs/dbraw/zinc/00/95/88/367009588.db2.gz YGCADSBAJOFKFJ-ZBFHGGJFSA-N 2 0 266.429 2.002 20 70 CEIDRP CC(C)[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161225806 367070007 /nfs/dbraw/zinc/07/00/07/367070007.db2.gz PDMIGWLQEZUNBY-AWEZNQCLSA-N 2 0 291.439 2.112 20 70 CEIDRP CC[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160671869 395061924 /nfs/dbraw/zinc/06/19/24/395061924.db2.gz JJAUTCRPKDANLL-SOUVJXGZSA-N 2 0 256.434 2.248 20 70 CEIDRP COc1ccnc(N2CCN(Cc3ccc(C)cn3)CC2)c1 ZINC000159862881 162317203 /nfs/dbraw/zinc/31/72/03/162317203.db2.gz OXZWPNYKXWHWKM-UHFFFAOYSA-N 2 0 298.390 2.116 20 70 CEIDRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159460593 366916363 /nfs/dbraw/zinc/91/63/63/366916363.db2.gz KFYLKAQMRSVJQR-UONOGXRCSA-N 2 0 299.459 2.173 20 70 CEIDRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000161329931 367078254 /nfs/dbraw/zinc/07/82/54/367078254.db2.gz PQQPQUCMEAJHGQ-ROUUACIJSA-N 2 0 287.451 2.459 20 70 CEIDRP CC(C)(O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161445678 277319418 /nfs/dbraw/zinc/31/94/18/277319418.db2.gz ZTDYAUGDZJKRLS-CQSZACIVSA-N 2 0 254.418 2.098 20 70 CEIDRP c1cn(CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)cn1 ZINC000159849968 232248958 /nfs/dbraw/zinc/24/89/58/232248958.db2.gz UQGVIHPOBILFJV-HNNXBMFYSA-N 2 0 263.385 2.307 20 70 CEIDRP CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000217941383 153299007 /nfs/dbraw/zinc/29/90/07/153299007.db2.gz JFVZCQVMRHALPS-ZJIFWQFVSA-N 2 0 269.477 2.281 20 70 CEIDRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000159440388 540406864 /nfs/dbraw/zinc/40/68/64/540406864.db2.gz UYDKFRGBNMMPFG-GOEBONIOSA-N 2 0 270.461 2.494 20 70 CEIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cncs1 ZINC000160694563 296122092 /nfs/dbraw/zinc/12/20/92/296122092.db2.gz LWJWEDHJPBLLSR-CHWSQXEVSA-N 2 0 283.441 2.031 20 70 CEIDRP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000161462459 519645323 /nfs/dbraw/zinc/64/53/23/519645323.db2.gz URFFUPICFHMYIX-KLAILNCOSA-N 2 0 295.471 2.144 20 70 CEIDRP C[N@H+](CCC[NH+]1CCCCC1)[C@H](CO)C(C)(C)C ZINC000161444962 522750525 /nfs/dbraw/zinc/75/05/25/522750525.db2.gz KFPJMOGBJWHVFQ-CQSZACIVSA-N 2 0 256.434 2.201 20 70 CEIDRP Cn1cc(C[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000161366299 527235294 /nfs/dbraw/zinc/23/52/94/527235294.db2.gz WMHQAKQRCQZTOT-MRXNPFEDSA-N 2 0 290.455 2.161 20 70 CEIDRP CC[C@H](C)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160164856 366977555 /nfs/dbraw/zinc/97/75/55/366977555.db2.gz RDEWKBIYCYRZGX-KBPBESRZSA-N 2 0 255.450 2.037 20 70 CEIDRP CC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011533 395062759 /nfs/dbraw/zinc/06/27/59/395062759.db2.gz DRAXVEGLKLNXQP-ILXRZTDVSA-N 2 0 264.417 2.334 20 70 CEIDRP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000161275195 282069771 /nfs/dbraw/zinc/06/97/71/282069771.db2.gz LRFFPQZHGGNJOD-AWEZNQCLSA-N 2 0 297.487 2.378 20 70 CEIDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCC(C)(C)CC1 ZINC000159972976 312636346 /nfs/dbraw/zinc/63/63/46/312636346.db2.gz LMOVESAZCQPJFA-UHFFFAOYSA-N 2 0 297.487 2.155 20 70 CEIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160750196 522580698 /nfs/dbraw/zinc/58/06/98/522580698.db2.gz RCEJHGJPYDQHMC-CABCVRRESA-N 2 0 254.418 2.002 20 70 CEIDRP C[NH2+]CCC[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000217525738 344535512 /nfs/dbraw/zinc/53/55/12/344535512.db2.gz FJOLWTDQUXVNOJ-UHFFFAOYSA-N 2 0 262.397 2.484 20 70 CEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000160180804 366979496 /nfs/dbraw/zinc/97/94/96/366979496.db2.gz SOXWFBYPPHCFAH-OAHLLOKOSA-N 2 0 275.440 2.363 20 70 CEIDRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000160865211 279353458 /nfs/dbraw/zinc/35/34/58/279353458.db2.gz BEGRWMVXLOKARU-JZXOWHBKSA-N 2 0 289.467 2.437 20 70 CEIDRP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000161275327 282070167 /nfs/dbraw/zinc/07/01/67/282070167.db2.gz LRFFPQZHGGNJOD-CQSZACIVSA-N 2 0 297.487 2.378 20 70 CEIDRP CC[C@@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160671750 522359560 /nfs/dbraw/zinc/35/95/60/522359560.db2.gz JJAUTCRPKDANLL-QLFBSQMISA-N 2 0 256.434 2.248 20 70 CEIDRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC000161401694 540816618 /nfs/dbraw/zinc/81/66/18/540816618.db2.gz XFRAAMDTKFEOIG-INIZCTEOSA-N 2 0 276.424 2.227 20 70 CEIDRP CC[NH2+]Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000161268224 367072722 /nfs/dbraw/zinc/07/27/22/367072722.db2.gz QKSPUJWZBMSDBN-INIZCTEOSA-N 2 0 275.396 2.124 20 70 CEIDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCCC1 ZINC000161474177 367089042 /nfs/dbraw/zinc/08/90/42/367089042.db2.gz KVTMFCNVJVEHHI-SJORKVTESA-N 2 0 279.472 2.421 20 70 CEIDRP COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000217642442 370199144 /nfs/dbraw/zinc/19/91/44/370199144.db2.gz IIUVGMMUIBDDTA-GJZGRUSLSA-N 2 0 290.407 2.420 20 70 CEIDRP CO[C@@H]1CCN(Cc2cc(C)ccc2C)[C@@H](C[NH3+])C1 ZINC000160994888 395062640 /nfs/dbraw/zinc/06/26/40/395062640.db2.gz JTKNPJUEPISVMP-HZPDHXFCSA-N 2 0 262.397 2.242 20 70 CEIDRP CCN(CC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000217450023 280209385 /nfs/dbraw/zinc/20/93/85/280209385.db2.gz SAOIEYFKCRAQGU-UHFFFAOYSA-N 2 0 297.443 2.116 20 70 CEIDRP C[C@H]1C[C@H](N(C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405466 232253647 /nfs/dbraw/zinc/25/36/47/232253647.db2.gz GDDSXDNJBVGLCG-JKSUJKDBSA-N 2 0 267.461 2.277 20 70 CEIDRP CCC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000161157710 540733235 /nfs/dbraw/zinc/73/32/35/540733235.db2.gz IWOVIGSAXXUDND-INIZCTEOSA-N 2 0 267.461 2.325 20 70 CEIDRP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161042307 367050687 /nfs/dbraw/zinc/05/06/87/367050687.db2.gz CFTFLMROLAZXHF-WCVJEAGWSA-N 2 0 267.461 2.179 20 70 CEIDRP COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000161455264 367087656 /nfs/dbraw/zinc/08/76/56/367087656.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 2 0 292.423 2.477 20 70 CEIDRP COCCOc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161450783 367087873 /nfs/dbraw/zinc/08/78/73/367087873.db2.gz WCAUWEIGPTVZBO-CQSZACIVSA-N 2 0 292.423 2.457 20 70 CEIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161480960 367091233 /nfs/dbraw/zinc/09/12/33/367091233.db2.gz BSBOSVYXRGHKCL-JHNDHUHGSA-N 2 0 276.424 2.081 20 70 CEIDRP c1cc2c(cc1CN[C@H]1CC[N@@H+]3CCCC[C@@H]13)OCCO2 ZINC000217633080 370198408 /nfs/dbraw/zinc/19/84/08/370198408.db2.gz XEONCWRTEGQKGG-GJZGRUSLSA-N 2 0 288.391 2.174 20 70 CEIDRP Cc1nc2ccccn2c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000159809337 162314871 /nfs/dbraw/zinc/31/48/71/162314871.db2.gz WHFBDFMAQZWBGC-UHFFFAOYSA-N 2 0 286.423 2.416 20 70 CEIDRP CC[N@H+](CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000217516768 279206466 /nfs/dbraw/zinc/20/64/66/279206466.db2.gz UYWWVJVRUZPHTC-GJZGRUSLSA-N 2 0 267.461 2.371 20 70 CEIDRP CC(=O)NC1CCC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000161494065 519645766 /nfs/dbraw/zinc/64/57/66/519645766.db2.gz BIPQZEVTIUINLE-UYSNPLJNSA-N 2 0 297.487 2.390 20 70 CEIDRP C[C@H]1C[C@@H](N(C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405704 232254206 /nfs/dbraw/zinc/25/42/06/232254206.db2.gz GDDSXDNJBVGLCG-HOTGVXAUSA-N 2 0 267.461 2.277 20 70 CEIDRP CC(C)OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000160043563 366968360 /nfs/dbraw/zinc/96/83/60/366968360.db2.gz PDGHDWQGQGJCBX-UHFFFAOYSA-N 2 0 263.385 2.065 20 70 CEIDRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000217558181 370197061 /nfs/dbraw/zinc/19/70/61/370197061.db2.gz OYQKPRPRVUUDLC-MXASKKJJSA-N 2 0 279.472 2.370 20 70 CEIDRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N(C)C1CC1 ZINC000217612338 370197936 /nfs/dbraw/zinc/19/79/36/370197936.db2.gz NYGWXMVGJVTITJ-CQSZACIVSA-N 2 0 288.439 2.123 20 70 CEIDRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000217624641 370198040 /nfs/dbraw/zinc/19/80/40/370198040.db2.gz OBSVTKJQMKLIKK-RBSFLKMASA-N 2 0 267.461 2.370 20 70 CEIDRP C(CN1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161375071 395064190 /nfs/dbraw/zinc/06/41/90/395064190.db2.gz MAPAOTPIBFFTFQ-QGZVFWFLSA-N 2 0 279.472 2.280 20 70 CEIDRP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000161106227 522923683 /nfs/dbraw/zinc/92/36/83/522923683.db2.gz RABOYQQYANDERI-APIJFGDWSA-N 2 0 254.418 2.264 20 70 CEIDRP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000161152853 540732713 /nfs/dbraw/zinc/73/27/13/540732713.db2.gz MTGJXIKIQQPGLE-CYBMUJFWSA-N 2 0 290.407 2.278 20 70 CEIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161121954 367059539 /nfs/dbraw/zinc/05/95/39/367059539.db2.gz ZTAAMMMOQLEUCO-UKRRQHHQSA-N 2 0 290.407 2.278 20 70 CEIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000160728282 367029911 /nfs/dbraw/zinc/02/99/11/367029911.db2.gz ZKRWWIQOWLJFJJ-HUUCEWRRSA-N 2 0 256.434 2.248 20 70 CEIDRP [NH3+]CCCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161291099 367076023 /nfs/dbraw/zinc/07/60/23/367076023.db2.gz NPBRTZJSWGCTLC-UHFFFAOYSA-N 2 0 275.165 2.417 20 70 CEIDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160663660 367025972 /nfs/dbraw/zinc/02/59/72/367025972.db2.gz LBVRBPCFGGHVNF-UHFFFAOYSA-N 2 0 299.821 2.206 20 70 CEIDRP C[NH+]1CCN(CCC[NH2+]Cc2coc3ccccc23)CC1 ZINC000159796749 162316807 /nfs/dbraw/zinc/31/68/07/162316807.db2.gz OFCIIRMQQIRONY-UHFFFAOYSA-N 2 0 287.407 2.160 20 70 CEIDRP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161045336 297440871 /nfs/dbraw/zinc/44/08/71/297440871.db2.gz LKYTYUHRBYFCDX-GDBMZVCRSA-N 2 0 289.423 2.067 20 70 CEIDRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@@H+]1C ZINC000159885248 366955958 /nfs/dbraw/zinc/95/59/58/366955958.db2.gz VSTFKXBIMRRAJR-BNOWGMLFSA-N 2 0 268.426 2.028 20 70 CEIDRP C[C@H]1C[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110411 366974649 /nfs/dbraw/zinc/97/46/49/366974649.db2.gz BUXKMJQYMDPYNL-WMLDXEAASA-N 2 0 293.430 2.330 20 70 CEIDRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161113067 367057566 /nfs/dbraw/zinc/05/75/66/367057566.db2.gz GYQGCDXYJUFYBV-KKUMJFAQSA-N 2 0 283.460 2.096 20 70 CEIDRP CC(C)[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161225690 367070226 /nfs/dbraw/zinc/07/02/26/367070226.db2.gz PDMIGWLQEZUNBY-CQSZACIVSA-N 2 0 291.439 2.112 20 70 CEIDRP CCSCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000159957260 280036995 /nfs/dbraw/zinc/03/69/95/280036995.db2.gz GHRGOGXIVVJVQT-HOTGVXAUSA-N 2 0 299.528 2.230 20 70 CEIDRP C[N@H+](CCC[NH+]1CCCCC1)CC1(O)CCCC1 ZINC000161450303 522749971 /nfs/dbraw/zinc/74/99/71/522749971.db2.gz CTEWONRWZWJQAQ-UHFFFAOYSA-N 2 0 254.418 2.099 20 70 CEIDRP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405591 232254275 /nfs/dbraw/zinc/25/42/75/232254275.db2.gz GDDSXDNJBVGLCG-CVEARBPZSA-N 2 0 267.461 2.277 20 70 CEIDRP Cc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000159600684 366931167 /nfs/dbraw/zinc/93/11/67/366931167.db2.gz FXHPFCFDSZTQIJ-HNNXBMFYSA-N 2 0 276.424 2.350 20 70 CEIDRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159539620 312632679 /nfs/dbraw/zinc/63/26/79/312632679.db2.gz WHRJCZBUSIHTAJ-AWEZNQCLSA-N 2 0 254.443 2.346 20 70 CEIDRP C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403209 524556903 /nfs/dbraw/zinc/55/69/03/524556903.db2.gz PCHRUPMEBGWGCB-XIRDDKMYSA-N 2 0 281.488 2.427 20 70 CEIDRP C[C@@H]([NH2+]CC(C)(C)O)c1cccc(OCC[NH+](C)C)c1 ZINC000160607651 367022745 /nfs/dbraw/zinc/02/27/45/367022745.db2.gz BTWSUVJNLWDTRD-CYBMUJFWSA-N 2 0 280.412 2.049 20 70 CEIDRP COC(=O)CC[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000161097754 367056691 /nfs/dbraw/zinc/05/66/91/367056691.db2.gz XKYCHIZYXDSZCP-UHFFFAOYSA-N 2 0 270.417 2.136 20 70 CEIDRP CC[N@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000217419850 279207408 /nfs/dbraw/zinc/20/74/08/279207408.db2.gz RLNTYQOVMJRUTB-CVEARBPZSA-N 2 0 259.397 2.205 20 70 CEIDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161068069 367053579 /nfs/dbraw/zinc/05/35/79/367053579.db2.gz SIFPYXCKZXRQTE-UONOGXRCSA-N 2 0 289.414 2.178 20 70 CEIDRP COCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161084918 367055570 /nfs/dbraw/zinc/05/55/70/367055570.db2.gz UWJIEGNVVVYJBZ-UHFFFAOYSA-N 2 0 254.418 2.221 20 70 CEIDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161121824 367059820 /nfs/dbraw/zinc/05/98/20/367059820.db2.gz ZTAAMMMOQLEUCO-HIFRSBDPSA-N 2 0 290.407 2.278 20 70 CEIDRP C[N@H+](CCn1ccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862291 162316498 /nfs/dbraw/zinc/31/64/98/162316498.db2.gz MOIHXYPXVSMNEZ-GOSISDBHSA-N 2 0 298.434 2.337 20 70 CEIDRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919821 279353521 /nfs/dbraw/zinc/35/35/21/279353521.db2.gz NWFSFZIVMHPMJA-INMHGKMJSA-N 2 0 287.451 2.367 20 70 CEIDRP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000159440654 539277982 /nfs/dbraw/zinc/27/79/82/539277982.db2.gz UYDKFRGBNMMPFG-GDBMZVCRSA-N 2 0 270.461 2.494 20 70 CEIDRP C[C@H]([NH2+][C@H](CCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000161099790 540720788 /nfs/dbraw/zinc/72/07/88/540720788.db2.gz MATTYBPAGWSPBC-WMLDXEAASA-N 2 0 276.424 2.430 20 70 CEIDRP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160752041 367031584 /nfs/dbraw/zinc/03/15/84/367031584.db2.gz UPDLQZNLNFQERJ-CVEARBPZSA-N 2 0 268.445 2.248 20 70 CEIDRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160787931 523793768 /nfs/dbraw/zinc/79/37/68/523793768.db2.gz SBQRCRAZNLQMAW-BRWVUGGUSA-N 2 0 280.456 2.488 20 70 CEIDRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OCC1CC1 ZINC000160480067 527478244 /nfs/dbraw/zinc/47/82/44/527478244.db2.gz QVWYXHRCGBCVMH-UHFFFAOYSA-N 2 0 266.429 2.221 20 70 CEIDRP CCCn1nccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000160215863 540113507 /nfs/dbraw/zinc/11/35/07/540113507.db2.gz GPWTWNRPBRJMCA-UHFFFAOYSA-N 2 0 264.417 2.115 20 70 CEIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481338 367090965 /nfs/dbraw/zinc/09/09/65/367090965.db2.gz BSBOSVYXRGHKCL-YQFWSFKMSA-N 2 0 276.424 2.081 20 70 CEIDRP COc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217643813 370198567 /nfs/dbraw/zinc/19/85/67/370198567.db2.gz XCSQHVGVGPGQIF-HOTGVXAUSA-N 2 0 260.381 2.412 20 70 CEIDRP CC[C@@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160671495 280116095 /nfs/dbraw/zinc/11/60/95/280116095.db2.gz JJAUTCRPKDANLL-RBSFLKMASA-N 2 0 256.434 2.248 20 70 CEIDRP C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCOC1 ZINC000161020930 529886909 /nfs/dbraw/zinc/88/69/09/529886909.db2.gz JWDPUZDMTPNBSQ-OAHLLOKOSA-N 2 0 254.418 2.221 20 70 CEIDRP CCC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217026029 344535125 /nfs/dbraw/zinc/53/51/25/344535125.db2.gz YZVHXSPDGMOEJO-XHSDSOJGSA-N 2 0 295.471 2.003 20 70 CEIDRP CCC[NH+]1CCC([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000160964765 540690500 /nfs/dbraw/zinc/69/05/00/540690500.db2.gz NXKWKPPMHBUVHA-HNNXBMFYSA-N 2 0 289.423 2.216 20 70 CEIDRP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161212530 540742950 /nfs/dbraw/zinc/74/29/50/540742950.db2.gz YOYCZMBOQOTLJD-GOEBONIOSA-N 3 0 267.461 2.181 20 70 CEIDRP Cc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000159600529 366931053 /nfs/dbraw/zinc/93/10/53/366931053.db2.gz FXHPFCFDSZTQIJ-OAHLLOKOSA-N 2 0 276.424 2.350 20 70 CEIDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000160647223 367023313 /nfs/dbraw/zinc/02/33/13/367023313.db2.gz OBKAADFMACNFJI-DZGCQCFKSA-N 2 0 268.445 2.390 20 70 CEIDRP COc1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161337818 540780771 /nfs/dbraw/zinc/78/07/71/540780771.db2.gz BSXYXOXCRUNAII-UHFFFAOYSA-N 2 0 297.402 2.455 20 70 CEIDRP CCC[NH+]1CCC([NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000161401816 540816431 /nfs/dbraw/zinc/81/64/31/540816431.db2.gz XFRAAMDTKFEOIG-MRXNPFEDSA-N 2 0 276.424 2.227 20 70 CEIDRP C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110540 366974858 /nfs/dbraw/zinc/97/48/58/366974858.db2.gz BUXKMJQYMDPYNL-PBHICJAKSA-N 2 0 293.430 2.330 20 70 CEIDRP C[C@H]1C[C@H](N(C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160590880 367021155 /nfs/dbraw/zinc/02/11/55/367021155.db2.gz ZHEIUWPXWCWXHK-UONOGXRCSA-N 2 0 272.396 2.249 20 70 CEIDRP CC(C)[C@H](C(=O)NCC[NH2+]C1CCCCCC1)[NH+](C)C ZINC000159645493 275694450 /nfs/dbraw/zinc/69/44/50/275694450.db2.gz IDJJDLDCCBOHFM-OAHLLOKOSA-N 2 0 283.460 2.001 20 70 CEIDRP CC[N@H+](C)C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161396811 279039656 /nfs/dbraw/zinc/03/96/56/279039656.db2.gz FHBPSEBWAVSNMI-MRXNPFEDSA-N 2 0 267.461 2.136 20 70 CEIDRP CCOCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160482024 279686846 /nfs/dbraw/zinc/68/68/46/279686846.db2.gz KFBKDOZWISTOHE-UHFFFAOYSA-N 2 0 254.418 2.221 20 70 CEIDRP CC(=O)NC1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000161322146 519645007 /nfs/dbraw/zinc/64/50/07/519645007.db2.gz WFISCKMPQPPTKE-OOHWJJMZSA-N 2 0 295.471 2.145 20 70 CEIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000161139805 278382676 /nfs/dbraw/zinc/38/26/76/278382676.db2.gz UQIRPLSGCWIPQX-SNPRPXQTSA-N 2 0 254.418 2.264 20 70 CEIDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000160182193 188458405 /nfs/dbraw/zinc/45/84/05/188458405.db2.gz OKTFOEHJWWYODP-SFHVURJKSA-N 2 0 287.451 2.290 20 70 CEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000160255814 296125303 /nfs/dbraw/zinc/12/53/03/296125303.db2.gz ADLVQODTQICUEP-CYBMUJFWSA-N 2 0 255.450 2.037 20 70 CEIDRP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2F)CCN1C ZINC000160058432 162323910 /nfs/dbraw/zinc/32/39/10/162323910.db2.gz MSUQIZOJRKHAEL-WCQYABFASA-N 2 0 284.350 2.416 20 70 CEIDRP COC(=O)[C@@H](C)C[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160843771 534211744 /nfs/dbraw/zinc/21/17/44/534211744.db2.gz KTQBFVLLDCGLBZ-AWEZNQCLSA-N 2 0 282.428 2.136 20 70 CEIDRP OCC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161331994 527569386 /nfs/dbraw/zinc/56/93/86/527569386.db2.gz QBUZGVHKQBZSMD-OAHLLOKOSA-N 2 0 254.418 2.099 20 70 CEIDRP C[C@H]([NH2+]CC(C)(C)O)c1cccc(OCC[NH+](C)C)c1 ZINC000160607536 367022797 /nfs/dbraw/zinc/02/27/97/367022797.db2.gz BTWSUVJNLWDTRD-ZDUSSCGKSA-N 2 0 280.412 2.049 20 70 CEIDRP COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000161455399 367087706 /nfs/dbraw/zinc/08/77/06/367087706.db2.gz FPECGZHFKZWEBH-CQSZACIVSA-N 2 0 292.423 2.477 20 70 CEIDRP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217028936 153297616 /nfs/dbraw/zinc/29/76/16/153297616.db2.gz UAVVNCFIZYJOJY-CABCVRRESA-N 2 0 295.471 2.003 20 70 CEIDRP C[C@@H]1CCC[C@H](C)C1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160239525 277715556 /nfs/dbraw/zinc/71/55/56/277715556.db2.gz OQSLSZLAMLTFLE-FKEKPDDDSA-N 2 0 281.488 2.427 20 70 CEIDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161068143 297441078 /nfs/dbraw/zinc/44/10/78/297441078.db2.gz SIFPYXCKZXRQTE-KBPBESRZSA-N 2 0 289.414 2.178 20 70 CEIDRP CCCC[NH+]1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161366094 520576007 /nfs/dbraw/zinc/57/60/07/520576007.db2.gz QTYWFUGXJZJHKV-UHFFFAOYSA-N 2 0 295.471 2.288 20 70 CEIDRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000159440253 540407360 /nfs/dbraw/zinc/40/73/60/540407360.db2.gz UYDKFRGBNMMPFG-HOCLYGCPSA-N 2 0 270.461 2.494 20 70 CEIDRP CN(Cc1cc2c(c(Cl)c1)OCO2)[C@H](C[NH3+])C1CC1 ZINC000160030723 366967103 /nfs/dbraw/zinc/96/71/03/366967103.db2.gz KOHVPMCFTLZUGK-GFCCVEGCSA-N 2 0 282.771 2.238 20 70 CEIDRP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000217914275 370203146 /nfs/dbraw/zinc/20/31/46/370203146.db2.gz MOZOXTODTUFDPD-ZFWWWQNUSA-N 2 0 275.396 2.012 20 70 CEIDRP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217033764 153297936 /nfs/dbraw/zinc/29/79/36/153297936.db2.gz LUQDWTCTWKUPPZ-HOTGVXAUSA-N 2 0 295.471 2.003 20 70 CEIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000161139559 277629453 /nfs/dbraw/zinc/62/94/53/277629453.db2.gz UQIRPLSGCWIPQX-YUELXQCFSA-N 2 0 254.418 2.264 20 70 CEIDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)O)CC2)C1 ZINC000160616549 524391885 /nfs/dbraw/zinc/39/18/85/524391885.db2.gz VGFHBVWAKRSQRU-HIFRSBDPSA-N 2 0 268.445 2.390 20 70 CEIDRP CC(C)c1noc(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000160825750 540665525 /nfs/dbraw/zinc/66/55/25/540665525.db2.gz HAQRYNXPLMHSIM-ZDUSSCGKSA-N 2 0 294.443 2.446 20 70 CEIDRP CCN(CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000159450364 366914393 /nfs/dbraw/zinc/91/43/93/366914393.db2.gz FWVQNWFNFFNFGX-KGLIPLIRSA-N 2 0 299.459 2.316 20 70 CEIDRP C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000217953419 279350839 /nfs/dbraw/zinc/35/08/39/279350839.db2.gz ZUDLNWMISOZCCK-QKPAOTATSA-N 2 0 267.461 2.037 20 70 CEIDRP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000160964670 540690598 /nfs/dbraw/zinc/69/05/98/540690598.db2.gz NXKWKPPMHBUVHA-OAHLLOKOSA-N 2 0 289.423 2.216 20 70 CEIDRP CCC[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000161157829 540733303 /nfs/dbraw/zinc/73/33/03/540733303.db2.gz IWOVIGSAXXUDND-MRXNPFEDSA-N 2 0 267.461 2.325 20 70 CEIDRP COc1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217643742 370197879 /nfs/dbraw/zinc/19/78/79/370197879.db2.gz XCSQHVGVGPGQIF-CVEARBPZSA-N 2 0 260.381 2.412 20 70 CEIDRP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161190752 249319891 /nfs/dbraw/zinc/31/98/91/249319891.db2.gz TVEMGJZVWGDMPV-HZPDHXFCSA-N 2 0 268.445 2.488 20 70 CEIDRP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161375181 395064423 /nfs/dbraw/zinc/06/44/23/395064423.db2.gz MAPAOTPIBFFTFQ-KRWDZBQOSA-N 2 0 279.472 2.280 20 70 CEIDRP C[N@H+](CCn1ccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862134 162317228 /nfs/dbraw/zinc/31/72/28/162317228.db2.gz MOIHXYPXVSMNEZ-SFHVURJKSA-N 2 0 298.434 2.337 20 70 CEIDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000160964489 395062585 /nfs/dbraw/zinc/06/25/85/395062585.db2.gz KBKUDMDIJPOVLD-HNNXBMFYSA-N 2 0 289.423 2.215 20 70 CEIDRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H](CO)C(C)(C)C ZINC000161445081 522748407 /nfs/dbraw/zinc/74/84/07/522748407.db2.gz KFPJMOGBJWHVFQ-AWEZNQCLSA-N 2 0 256.434 2.201 20 70 CEIDRP CCN1CCCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161212647 540742928 /nfs/dbraw/zinc/74/29/28/540742928.db2.gz YOYCZMBOQOTLJD-HOCLYGCPSA-N 3 0 267.461 2.181 20 70 CEIDRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000160082446 366971849 /nfs/dbraw/zinc/97/18/49/366971849.db2.gz VAMZLGNWBVMOFZ-SOUVJXGZSA-N 2 0 255.450 2.037 20 70 CEIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000160737120 296122008 /nfs/dbraw/zinc/12/20/08/296122008.db2.gz KEWAQEFQCDQPFJ-CZUORRHYSA-N 2 0 295.402 2.108 20 70 CEIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000160746915 395061560 /nfs/dbraw/zinc/06/15/60/395061560.db2.gz WQCFHBCZVXHHJK-GDBMZVCRSA-N 2 0 268.445 2.392 20 70 CEIDRP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161190540 395063725 /nfs/dbraw/zinc/06/37/25/395063725.db2.gz TVEMGJZVWGDMPV-JKSUJKDBSA-N 2 0 268.445 2.488 20 70 CEIDRP COC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000160513154 539278727 /nfs/dbraw/zinc/27/87/27/539278727.db2.gz KUPFOTHKKPCYBO-MRXNPFEDSA-N 2 0 266.429 2.408 20 70 CEIDRP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000161113099 367058139 /nfs/dbraw/zinc/05/81/39/367058139.db2.gz WONMZPXSPGHKGK-GXTWGEPZSA-N 2 0 276.380 2.030 20 70 CEIDRP C[C@@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)N(C)C1CC1 ZINC000217566914 280209355 /nfs/dbraw/zinc/20/93/55/280209355.db2.gz TVRBHLFDTTVLFD-HIFPTAJRSA-N 2 0 297.443 2.114 20 70 CEIDRP C[C@@H]1C[C@H](N(C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405323 533894897 /nfs/dbraw/zinc/89/48/97/533894897.db2.gz GDDSXDNJBVGLCG-HZPDHXFCSA-N 2 0 267.461 2.277 20 70 CEIDRP CCC[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161081954 519851601 /nfs/dbraw/zinc/85/16/01/519851601.db2.gz HRFRAKYTMGLHHZ-UHFFFAOYSA-N 2 0 267.461 2.280 20 70 CEIDRP CC(=O)Nc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000218744996 539255517 /nfs/dbraw/zinc/25/55/17/539255517.db2.gz LEGFWZVIMBVNNP-UHFFFAOYSA-N 2 0 275.396 2.206 20 70 CEIDRP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161044960 367051482 /nfs/dbraw/zinc/05/14/82/367051482.db2.gz LKYTYUHRBYFCDX-HOCLYGCPSA-N 2 0 289.423 2.067 20 70 CEIDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C(C1CC1)C1CC1 ZINC000160684362 367027083 /nfs/dbraw/zinc/02/70/83/367027083.db2.gz XAMMMDNVWNUMIA-OAHLLOKOSA-N 2 0 266.429 2.002 20 70 CEIDRP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161045084 297441096 /nfs/dbraw/zinc/44/10/96/297441096.db2.gz LKYTYUHRBYFCDX-ZBFHGGJFSA-N 2 0 289.423 2.067 20 70 CEIDRP C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159729790 366943064 /nfs/dbraw/zinc/94/30/64/366943064.db2.gz JESUVUWQXUVPLW-KGLIPLIRSA-N 2 0 268.445 2.390 20 70 CEIDRP CCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159460731 366916905 /nfs/dbraw/zinc/91/69/05/366916905.db2.gz KFYLKAQMRSVJQR-KBPBESRZSA-N 2 0 299.459 2.173 20 70 CEIDRP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000161113035 367057515 /nfs/dbraw/zinc/05/75/15/367057515.db2.gz WONMZPXSPGHKGK-TZMCWYRMSA-N 2 0 276.380 2.030 20 70 CEIDRP C[C@@H]([NH2+]Cc1cn2ccccc2n1)C1CC[NH+](C)CC1 ZINC000159440309 540406876 /nfs/dbraw/zinc/40/68/76/540406876.db2.gz ZJSGANSBDSJRBW-CYBMUJFWSA-N 2 0 272.396 2.154 20 70 CEIDRP C[N@@H+](Cc1cnc2ccccn12)CC1CC[NH+](C)CC1 ZINC000159809181 540432115 /nfs/dbraw/zinc/43/21/15/540432115.db2.gz SVMKPVSXAXWTOQ-UHFFFAOYSA-N 2 0 272.396 2.108 20 70 CEIDRP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@@H+]1C ZINC000159885677 366955800 /nfs/dbraw/zinc/95/58/00/366955800.db2.gz VSTFKXBIMRRAJR-UBHSHLNASA-N 2 0 268.426 2.028 20 70 CEIDRP CC(C)[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)[NH+](C)C ZINC000159630848 395059470 /nfs/dbraw/zinc/05/94/70/395059470.db2.gz IDJJDLDCCBOHFM-HNNXBMFYSA-N 2 0 283.460 2.001 20 70 CEIDRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H](C)C1 ZINC000160781763 521721238 /nfs/dbraw/zinc/72/12/38/521721238.db2.gz ZATVEOFZUQRRRJ-KGLIPLIRSA-N 2 0 294.443 2.446 20 70 CEIDRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000160865069 524502228 /nfs/dbraw/zinc/50/22/28/524502228.db2.gz BEGRWMVXLOKARU-NUJGCVRESA-N 2 0 289.467 2.437 20 70 CEIDRP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000159440517 540407197 /nfs/dbraw/zinc/40/71/97/540407197.db2.gz UYDKFRGBNMMPFG-ZBFHGGJFSA-N 2 0 270.461 2.494 20 70 CEIDRP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCOC1 ZINC000161020789 367049954 /nfs/dbraw/zinc/04/99/54/367049954.db2.gz JWDPUZDMTPNBSQ-HNNXBMFYSA-N 2 0 254.418 2.221 20 70 CEIDRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)[C@H](C)C1 ZINC000161460832 367088981 /nfs/dbraw/zinc/08/89/81/367088981.db2.gz LLMOIWCJJONFQX-HYVNUMGLSA-N 2 0 276.424 2.082 20 70 CEIDRP COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217642572 370198983 /nfs/dbraw/zinc/19/89/83/370198983.db2.gz KPJUCXOYCLFQQN-CVEARBPZSA-N 2 0 260.381 2.412 20 70 CEIDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000160964372 395062615 /nfs/dbraw/zinc/06/26/15/395062615.db2.gz KBKUDMDIJPOVLD-OAHLLOKOSA-N 2 0 289.423 2.215 20 70 CEIDRP CC[C@@H](C)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160164432 366978058 /nfs/dbraw/zinc/97/80/58/366978058.db2.gz RDEWKBIYCYRZGX-ZIAGYGMSSA-N 2 0 255.450 2.037 20 70 CEIDRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000161179034 367065491 /nfs/dbraw/zinc/06/54/91/367065491.db2.gz IKWUCPLOIXVBOY-CAOSSQGBSA-N 2 0 267.461 2.179 20 70 CEIDRP CC[C@@H](C)N(C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217891097 370203282 /nfs/dbraw/zinc/20/32/82/370203282.db2.gz OBOPRZTXYTUNJO-OAHLLOKOSA-N 2 0 290.455 2.370 20 70 CEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000160269033 395059711 /nfs/dbraw/zinc/05/97/11/395059711.db2.gz IUFLZMFFRKUTIB-AWEZNQCLSA-N 2 0 267.461 2.181 20 70 CEIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000160746787 395062027 /nfs/dbraw/zinc/06/20/27/395062027.db2.gz WQCFHBCZVXHHJK-GOEBONIOSA-N 2 0 268.445 2.392 20 70 CEIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000160739194 395062109 /nfs/dbraw/zinc/06/21/09/395062109.db2.gz KGUDYOBYSOFUJP-UONOGXRCSA-N 2 0 256.434 2.248 20 70 CEIDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000160646929 287287986 /nfs/dbraw/zinc/28/79/86/287287986.db2.gz OBKAADFMACNFJI-HIFRSBDPSA-N 2 0 268.445 2.390 20 70 CEIDRP CCSCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000159957116 529179658 /nfs/dbraw/zinc/17/96/58/529179658.db2.gz GHRGOGXIVVJVQT-IYBDPMFKSA-N 2 0 299.528 2.230 20 70 CEIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cncs1 ZINC000160694421 395062088 /nfs/dbraw/zinc/06/20/88/395062088.db2.gz LWJWEDHJPBLLSR-QWHCGFSZSA-N 2 0 283.441 2.031 20 70 CEIDRP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2F)CCN1C ZINC000160058324 162323150 /nfs/dbraw/zinc/32/31/50/162323150.db2.gz MSUQIZOJRKHAEL-DGCLKSJQSA-N 2 0 284.350 2.416 20 70 CEIDRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@@H+]1C ZINC000159885526 366956832 /nfs/dbraw/zinc/95/68/32/366956832.db2.gz VSTFKXBIMRRAJR-XBFCOCLRSA-N 2 0 268.426 2.028 20 70 CEIDRP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@@H+]1C ZINC000159885368 366956022 /nfs/dbraw/zinc/95/60/22/366956022.db2.gz VSTFKXBIMRRAJR-YUTCNCBUSA-N 2 0 268.426 2.028 20 70 CEIDRP C[C@H]1C[N@H+](C)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000160266175 366987226 /nfs/dbraw/zinc/98/72/26/366987226.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 2 0 267.461 2.181 20 70 CEIDRP C[NH+]1CCN(CCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160816732 367035817 /nfs/dbraw/zinc/03/58/17/367035817.db2.gz PTKBWOCPKVZEGL-UHFFFAOYSA-N 2 0 299.821 2.206 20 70 CEIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160122608 162321279 /nfs/dbraw/zinc/32/12/79/162321279.db2.gz FYVMFMKJTABXFI-PBHICJAKSA-N 2 0 293.430 2.187 20 70 CEIDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000160647116 287310965 /nfs/dbraw/zinc/31/09/65/287310965.db2.gz OBKAADFMACNFJI-UKRRQHHQSA-N 2 0 268.445 2.390 20 70 CEIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000161139453 290011776 /nfs/dbraw/zinc/01/17/76/290011776.db2.gz UQIRPLSGCWIPQX-CFVMTHIKSA-N 2 0 254.418 2.264 20 70 CEIDRP CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160671623 521819822 /nfs/dbraw/zinc/81/98/22/521819822.db2.gz JJAUTCRPKDANLL-RRFJBIMHSA-N 2 0 256.434 2.248 20 70 CEIDRP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000161152742 540732631 /nfs/dbraw/zinc/73/26/31/540732631.db2.gz MTGJXIKIQQPGLE-ZDUSSCGKSA-N 2 0 290.407 2.278 20 70 CEIDRP C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161001390 367047704 /nfs/dbraw/zinc/04/77/04/367047704.db2.gz GWBGVLJLKTYJIZ-HUUCEWRRSA-N 2 0 254.418 2.098 20 70 CEIDRP CCCN(CC)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217720558 370200543 /nfs/dbraw/zinc/20/05/43/370200543.db2.gz SZRKUXXFDHFDAK-UHFFFAOYSA-N 2 0 290.455 2.372 20 70 CEIDRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000161106342 395063227 /nfs/dbraw/zinc/06/32/27/395063227.db2.gz RABOYQQYANDERI-XGUBFFRZSA-N 2 0 254.418 2.264 20 70 CEIDRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2F)CCN1C ZINC000160058557 162323519 /nfs/dbraw/zinc/32/35/19/162323519.db2.gz MSUQIZOJRKHAEL-YPMHNXCESA-N 2 0 284.350 2.416 20 70 CEIDRP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000161462574 519645130 /nfs/dbraw/zinc/64/51/30/519645130.db2.gz URFFUPICFHMYIX-GTPINHCMSA-N 2 0 295.471 2.144 20 70 CEIDRP CC[NH2+]Cc1cccc(NC(=O)C(CC)(CC)C[NH3+])c1 ZINC000161158555 367061974 /nfs/dbraw/zinc/06/19/74/367061974.db2.gz IYCXNPHHKBIYCP-UHFFFAOYSA-N 2 0 277.412 2.500 20 70 CEIDRP COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217642651 370198009 /nfs/dbraw/zinc/19/80/09/370198009.db2.gz KPJUCXOYCLFQQN-HOTGVXAUSA-N 2 0 260.381 2.412 20 70 CEIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000160739333 395061580 /nfs/dbraw/zinc/06/15/80/395061580.db2.gz KGUDYOBYSOFUJP-ZIAGYGMSSA-N 2 0 256.434 2.248 20 70 CEIDRP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217028976 153295780 /nfs/dbraw/zinc/29/57/80/153295780.db2.gz UAVVNCFIZYJOJY-GJZGRUSLSA-N 2 0 295.471 2.003 20 70 CEIDRP CCC[NH+]1CCC(C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161459811 519843384 /nfs/dbraw/zinc/84/33/84/519843384.db2.gz DECVIJRMSFXELY-UHFFFAOYSA-N 2 0 295.471 2.145 20 70 CEIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000160736964 395061508 /nfs/dbraw/zinc/06/15/08/395061508.db2.gz KEWAQEFQCDQPFJ-XJKSGUPXSA-N 2 0 295.402 2.108 20 70 CEIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160122741 162322182 /nfs/dbraw/zinc/32/21/82/162322182.db2.gz FYVMFMKJTABXFI-YOEHRIQHSA-N 2 0 293.430 2.187 20 70 CEIDRP CCSCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000159957400 280036671 /nfs/dbraw/zinc/03/66/71/280036671.db2.gz GHRGOGXIVVJVQT-HZPDHXFCSA-N 2 0 299.528 2.230 20 70 CEIDRP CC(=O)NC1CCC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000161322290 519645331 /nfs/dbraw/zinc/64/53/31/519645331.db2.gz WFISCKMPQPPTKE-ODIFPOPNSA-N 2 0 295.471 2.145 20 70 CEIDRP