smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161450660 367087687 /nfs/dbraw/zinc/08/76/87/367087687.db2.gz WCAUWEIGPTVZBO-AWEZNQCLSA-N 2 1 292.423 2.457 20 70 CEIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217891183 370203354 /nfs/dbraw/zinc/20/33/54/370203354.db2.gz OBOPRZTXYTUNJO-HNNXBMFYSA-N 3 1 290.455 2.370 20 70 CEIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217891183 370203356 /nfs/dbraw/zinc/20/33/56/370203356.db2.gz OBOPRZTXYTUNJO-HNNXBMFYSA-N 3 1 290.455 2.370 20 70 CEIDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)CC[N@H+]1C ZINC000160537818 395060720 /nfs/dbraw/zinc/06/07/20/395060720.db2.gz BZOWMUOUMPPBOW-RDBSUJKOSA-N 2 1 287.407 2.185 20 70 CEIDMP C[C@@H]1CC[N@H+](CCn2ccnc2)CCN1Cc1ccccc1 ZINC000159863541 162314676 /nfs/dbraw/zinc/31/46/76/162314676.db2.gz PDXVOMUTXYEHLG-QGZVFWFLSA-N 2 1 298.434 2.480 20 70 CEIDMP C[C@@H]1CC[N@@H+](CCn2ccnc2)CCN1Cc1ccccc1 ZINC000159863541 162314679 /nfs/dbraw/zinc/31/46/79/162314679.db2.gz PDXVOMUTXYEHLG-QGZVFWFLSA-N 2 1 298.434 2.480 20 70 CEIDMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161465339 527416087 /nfs/dbraw/zinc/41/60/87/527416087.db2.gz HSXBNHIECVZGNO-GFCCVEGCSA-N 2 1 251.374 2.081 20 70 CEIDMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161465339 527416092 /nfs/dbraw/zinc/41/60/92/527416092.db2.gz HSXBNHIECVZGNO-GFCCVEGCSA-N 2 1 251.374 2.081 20 70 CEIDMP CC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000161172317 367063916 /nfs/dbraw/zinc/06/39/16/367063916.db2.gz CENFKTOZLNGXTR-PMPSAXMXSA-N 2 1 267.461 2.181 20 70 CEIDMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC000161172317 367063923 /nfs/dbraw/zinc/06/39/23/367063923.db2.gz CENFKTOZLNGXTR-PMPSAXMXSA-N 2 1 267.461 2.181 20 70 CEIDMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC000161172317 367063928 /nfs/dbraw/zinc/06/39/28/367063928.db2.gz CENFKTOZLNGXTR-PMPSAXMXSA-N 2 1 267.461 2.181 20 70 CEIDMP CCN1CCCC[C@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000161172317 367063932 /nfs/dbraw/zinc/06/39/32/367063932.db2.gz CENFKTOZLNGXTR-PMPSAXMXSA-N 2 1 267.461 2.181 20 70 CEIDMP CCN1CCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161172317 367063936 /nfs/dbraw/zinc/06/39/36/367063936.db2.gz CENFKTOZLNGXTR-PMPSAXMXSA-N 2 1 267.461 2.181 20 70 CEIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000160728147 367030286 /nfs/dbraw/zinc/03/02/86/367030286.db2.gz ZKRWWIQOWLJFJJ-CABCVRRESA-N 2 1 256.434 2.248 20 70 CEIDMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000160914864 524681062 /nfs/dbraw/zinc/68/10/62/524681062.db2.gz GQLUAPDCEWGXDY-AWEZNQCLSA-N 2 1 285.395 2.058 20 70 CEIDMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000160914864 524681073 /nfs/dbraw/zinc/68/10/73/524681073.db2.gz GQLUAPDCEWGXDY-AWEZNQCLSA-N 2 1 285.395 2.058 20 70 CEIDMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cnccn1 ZINC000160868715 367040199 /nfs/dbraw/zinc/04/01/99/367040199.db2.gz WZUFYWHJMRXZSL-CYBMUJFWSA-N 2 1 270.380 2.389 20 70 CEIDMP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161324698 367077932 /nfs/dbraw/zinc/07/79/32/367077932.db2.gz MSFJKGDBHNEMAK-HUUCEWRRSA-N 2 1 262.397 2.446 20 70 CEIDMP CC(C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160614829 367022475 /nfs/dbraw/zinc/02/24/75/367022475.db2.gz SSTPFDUQFCHYKU-UHFFFAOYSA-N 2 1 294.414 2.193 20 70 CEIDMP CC[C@@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160498387 367011077 /nfs/dbraw/zinc/01/10/77/367011077.db2.gz IMNPMAVSVXCJGX-KRWDZBQOSA-N 2 1 292.423 2.033 20 70 CEIDMP CC(C)(O)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161445536 395064472 /nfs/dbraw/zinc/06/44/72/395064472.db2.gz ZTDYAUGDZJKRLS-AWEZNQCLSA-N 2 1 254.418 2.098 20 70 CEIDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000159828287 162315439 /nfs/dbraw/zinc/31/54/39/162315439.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000159828287 162315441 /nfs/dbraw/zinc/31/54/41/162315441.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159828287 162315442 /nfs/dbraw/zinc/31/54/42/162315442.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000159828287 162315444 /nfs/dbraw/zinc/31/54/44/162315444.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000160147290 290384532 /nfs/dbraw/zinc/38/45/32/290384532.db2.gz TVUYEGJCXGZGNA-HNNXBMFYSA-N 2 1 295.471 2.051 20 70 CEIDMP C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161001150 533796431 /nfs/dbraw/zinc/79/64/31/533796431.db2.gz GWBGVLJLKTYJIZ-CABCVRRESA-N 2 1 254.418 2.098 20 70 CEIDMP CC[N@@H+](C)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161396670 520248111 /nfs/dbraw/zinc/24/81/11/520248111.db2.gz FHBPSEBWAVSNMI-INIZCTEOSA-N 2 1 267.461 2.136 20 70 CEIDMP Cc1csc(N2CCC([NH2+]C3CC[NH+](C)CC3)CC2)n1 ZINC000161441919 526376894 /nfs/dbraw/zinc/37/68/94/526376894.db2.gz BVGUGZARNGUKLE-UHFFFAOYSA-N 2 1 294.468 2.104 20 70 CEIDMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160061260 366970422 /nfs/dbraw/zinc/97/04/22/366970422.db2.gz GZCLPPILKPGZLD-MRXNPFEDSA-N 2 1 270.380 2.041 20 70 CEIDMP C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160061260 366970418 /nfs/dbraw/zinc/97/04/18/366970418.db2.gz GZCLPPILKPGZLD-MRXNPFEDSA-N 2 1 270.380 2.041 20 70 CEIDMP CC[C@H](O)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161190639 249319604 /nfs/dbraw/zinc/31/96/04/249319604.db2.gz TVEMGJZVWGDMPV-CVEARBPZSA-N 2 1 268.445 2.488 20 70 CEIDMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000217664560 153297687 /nfs/dbraw/zinc/29/76/87/153297687.db2.gz XTPJACNDNINFCF-XHSDSOJGSA-N 2 1 267.461 2.229 20 70 CEIDMP CC(=O)NC1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161230186 278088530 /nfs/dbraw/zinc/08/85/30/278088530.db2.gz ZCXIFPZLEFOWAH-OOHWJJMZSA-N 2 1 295.471 2.288 20 70 CEIDMP CC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160629926 522259839 /nfs/dbraw/zinc/25/98/39/522259839.db2.gz CLFDSCINWXADHC-QGZVFWFLSA-N 2 1 292.423 2.033 20 70 CEIDMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160752137 367031689 /nfs/dbraw/zinc/03/16/89/367031689.db2.gz UPDLQZNLNFQERJ-HZPDHXFCSA-N 2 1 268.445 2.248 20 70 CEIDMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000217437484 153299266 /nfs/dbraw/zinc/29/92/66/153299266.db2.gz ATERHPCJEFUPDP-IXDOHACOSA-N 2 1 279.472 2.371 20 70 CEIDMP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000217437484 153299269 /nfs/dbraw/zinc/29/92/69/153299269.db2.gz ATERHPCJEFUPDP-IXDOHACOSA-N 2 1 279.472 2.371 20 70 CEIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160750276 522826984 /nfs/dbraw/zinc/82/69/84/522826984.db2.gz RCEJHGJPYDQHMC-HUUCEWRRSA-N 2 1 254.418 2.002 20 70 CEIDMP C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160061125 366970056 /nfs/dbraw/zinc/97/00/56/366970056.db2.gz GZCLPPILKPGZLD-INIZCTEOSA-N 2 1 270.380 2.041 20 70 CEIDMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160061125 366970060 /nfs/dbraw/zinc/97/00/60/366970060.db2.gz GZCLPPILKPGZLD-INIZCTEOSA-N 2 1 270.380 2.041 20 70 CEIDMP C[C@H]1C[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110658 366975284 /nfs/dbraw/zinc/97/52/84/366975284.db2.gz BUXKMJQYMDPYNL-YOEHRIQHSA-N 2 1 293.430 2.330 20 70 CEIDMP CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000160067749 162322263 /nfs/dbraw/zinc/32/22/63/162322263.db2.gz NFMCJYBRRIBYNX-ZFWWWQNUSA-N 2 1 277.412 2.299 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)cn1 ZINC000160067749 162322265 /nfs/dbraw/zinc/32/22/65/162322265.db2.gz NFMCJYBRRIBYNX-ZFWWWQNUSA-N 2 1 277.412 2.299 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000160067749 162322269 /nfs/dbraw/zinc/32/22/69/162322269.db2.gz NFMCJYBRRIBYNX-ZFWWWQNUSA-N 2 1 277.412 2.299 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000160067749 162322274 /nfs/dbraw/zinc/32/22/74/162322274.db2.gz NFMCJYBRRIBYNX-ZFWWWQNUSA-N 2 1 277.412 2.299 20 70 CEIDMP CCOCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160292519 165033597 /nfs/dbraw/zinc/03/35/97/165033597.db2.gz ZWLCJXJTOJJEON-IYBDPMFKSA-N 2 1 298.471 2.234 20 70 CEIDMP CCOC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161393223 528938871 /nfs/dbraw/zinc/93/88/71/528938871.db2.gz ZAJGWHLGHIEMKT-OAHLLOKOSA-N 2 1 254.418 2.221 20 70 CEIDMP c1cn(CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)cn1 ZINC000159850098 366952810 /nfs/dbraw/zinc/95/28/10/366952810.db2.gz UQGVIHPOBILFJV-OAHLLOKOSA-N 2 1 263.385 2.307 20 70 CEIDMP C[C@@H]1C[C@@H](N(C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160591005 367021058 /nfs/dbraw/zinc/02/10/58/367021058.db2.gz ZHEIUWPXWCWXHK-KGLIPLIRSA-N 2 1 272.396 2.249 20 70 CEIDMP C[C@@H]1C[C@H](N(C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160590743 367021444 /nfs/dbraw/zinc/02/14/44/367021444.db2.gz ZHEIUWPXWCWXHK-ZIAGYGMSSA-N 2 1 272.396 2.249 20 70 CEIDMP CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000160038793 162324327 /nfs/dbraw/zinc/32/43/27/162324327.db2.gz KEBQNORBDRQCOM-ZFWWWQNUSA-N 2 1 277.412 2.441 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000160038793 162324330 /nfs/dbraw/zinc/32/43/30/162324330.db2.gz KEBQNORBDRQCOM-ZFWWWQNUSA-N 2 1 277.412 2.441 20 70 CEIDMP Cn1cc(C[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000161366169 527233010 /nfs/dbraw/zinc/23/30/10/527233010.db2.gz WMHQAKQRCQZTOT-INIZCTEOSA-N 2 1 290.455 2.161 20 70 CEIDMP OCC[N@@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000161446378 527548176 /nfs/dbraw/zinc/54/81/76/527548176.db2.gz LVJATNMUJTUIFQ-UHFFFAOYSA-N 2 1 268.445 2.489 20 70 CEIDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)CC[N@H+]1C ZINC000160537533 395061085 /nfs/dbraw/zinc/06/10/85/395061085.db2.gz BZOWMUOUMPPBOW-HZSPNIEDSA-N 2 1 287.407 2.185 20 70 CEIDMP C[N@H+](CCC[NH+]1CCCCC1)CCc1nccs1 ZINC000161451848 522747649 /nfs/dbraw/zinc/74/76/49/522747649.db2.gz QAFIJCXMOVNSMV-UHFFFAOYSA-N 2 1 267.442 2.493 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1nccs1 ZINC000161451848 522747655 /nfs/dbraw/zinc/74/76/55/522747655.db2.gz QAFIJCXMOVNSMV-UHFFFAOYSA-N 2 1 267.442 2.493 20 70 CEIDMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000217941061 280255420 /nfs/dbraw/zinc/25/54/20/280255420.db2.gz BTUQBVPILYDVHT-HZMVEIRTSA-N 2 1 281.488 2.425 20 70 CEIDMP C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000159729370 366943384 /nfs/dbraw/zinc/94/33/84/366943384.db2.gz JESUVUWQXUVPLW-UONOGXRCSA-N 2 1 268.445 2.390 20 70 CEIDMP C[NH+](C)[C@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159574177 366928627 /nfs/dbraw/zinc/92/86/27/366928627.db2.gz BVNDGRWZTREGDO-HNNXBMFYSA-N 2 1 289.423 2.067 20 70 CEIDMP C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)C[NH+]1CCCCC1 ZINC000161273982 518385247 /nfs/dbraw/zinc/38/52/47/518385247.db2.gz BOWBVRSDNUPDFP-HNNXBMFYSA-N 2 1 266.429 2.363 20 70 CEIDMP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011650 522924517 /nfs/dbraw/zinc/92/45/17/522924517.db2.gz DRAXVEGLKLNXQP-QLFBSQMISA-N 2 1 264.417 2.334 20 70 CEIDMP CCOC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161393329 529029428 /nfs/dbraw/zinc/02/94/28/529029428.db2.gz ZAJGWHLGHIEMKT-HNNXBMFYSA-N 2 1 254.418 2.221 20 70 CEIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCc2ccccc21 ZINC000159919968 279353253 /nfs/dbraw/zinc/35/32/53/279353253.db2.gz NWFSFZIVMHPMJA-UXLLHSPISA-N 2 1 287.451 2.367 20 70 CEIDMP CO[C@H]1CC[N@H+](CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000160982615 523995337 /nfs/dbraw/zinc/99/53/37/523995337.db2.gz WYLLAFHTRZMGHE-HOTGVXAUSA-N 2 1 262.397 2.057 20 70 CEIDMP CO[C@H]1CC[N@@H+](CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000160982615 523995341 /nfs/dbraw/zinc/99/53/41/523995341.db2.gz WYLLAFHTRZMGHE-HOTGVXAUSA-N 2 1 262.397 2.057 20 70 CEIDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000160147138 395060433 /nfs/dbraw/zinc/06/04/33/395060433.db2.gz TVUYEGJCXGZGNA-OAHLLOKOSA-N 2 1 295.471 2.051 20 70 CEIDMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H](C)C1 ZINC000160781880 521714477 /nfs/dbraw/zinc/71/44/77/521714477.db2.gz ZATVEOFZUQRRRJ-ZIAGYGMSSA-N 2 1 294.443 2.446 20 70 CEIDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C(C1CC1)C1CC1 ZINC000160684507 367027403 /nfs/dbraw/zinc/02/74/03/367027403.db2.gz XAMMMDNVWNUMIA-HNNXBMFYSA-N 2 1 266.429 2.002 20 70 CEIDMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217033726 153296580 /nfs/dbraw/zinc/29/65/80/153296580.db2.gz LUQDWTCTWKUPPZ-CVEARBPZSA-N 2 1 295.471 2.003 20 70 CEIDMP C[N@H+]1CCC[C@@H]2CN(CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000161416616 523834067 /nfs/dbraw/zinc/83/40/67/523834067.db2.gz RGXBLHIZWPTVLO-SJORKVTESA-N 2 1 279.472 2.279 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC(C)(C)C1 ZINC000161403006 527394417 /nfs/dbraw/zinc/39/44/17/527394417.db2.gz MOGCLMYXPSZKSL-UHFFFAOYSA-N 2 1 251.374 2.083 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC(C)(C)C1 ZINC000161403006 527394422 /nfs/dbraw/zinc/39/44/22/527394422.db2.gz MOGCLMYXPSZKSL-UHFFFAOYSA-N 2 1 251.374 2.083 20 70 CEIDMP C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000159729503 366943337 /nfs/dbraw/zinc/94/33/37/366943337.db2.gz JESUVUWQXUVPLW-ZIAGYGMSSA-N 2 1 268.445 2.390 20 70 CEIDMP C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@@H+]1C ZINC000160945029 367045840 /nfs/dbraw/zinc/04/58/40/367045840.db2.gz NSWKAZJYGRAFQW-NUEKZKHPSA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000160945029 367045846 /nfs/dbraw/zinc/04/58/46/367045846.db2.gz NSWKAZJYGRAFQW-NUEKZKHPSA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000161113203 367058310 /nfs/dbraw/zinc/05/83/10/367058310.db2.gz WONMZPXSPGHKGK-OCCSQVGLSA-N 2 1 276.380 2.030 20 70 CEIDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)[C@H](C)C1 ZINC000161460708 367089273 /nfs/dbraw/zinc/08/92/73/367089273.db2.gz LLMOIWCJJONFQX-PVAVHDDUSA-N 2 1 276.424 2.082 20 70 CEIDMP CC[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000217419767 279206822 /nfs/dbraw/zinc/20/68/22/279206822.db2.gz RLNTYQOVMJRUTB-HZPDHXFCSA-N 2 1 259.397 2.205 20 70 CEIDMP C[N@H+]1CCC[C@H]2CN(CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000161416479 523857846 /nfs/dbraw/zinc/85/78/46/523857846.db2.gz RGXBLHIZWPTVLO-IRXDYDNUSA-N 2 1 279.472 2.279 20 70 CEIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403079 524898512 /nfs/dbraw/zinc/89/85/12/524898512.db2.gz PCHRUPMEBGWGCB-PVAVHDDUSA-N 2 1 281.488 2.427 20 70 CEIDMP CCCn1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000160142696 539273395 /nfs/dbraw/zinc/27/33/95/539273395.db2.gz WTZILNSKTIWCJD-AWEZNQCLSA-N 2 1 264.417 2.115 20 70 CEIDMP C[C@@H]1C[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110276 366975498 /nfs/dbraw/zinc/97/54/98/366975498.db2.gz BUXKMJQYMDPYNL-RHSMWYFYSA-N 2 1 293.430 2.330 20 70 CEIDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000217624491 279367230 /nfs/dbraw/zinc/36/72/30/279367230.db2.gz OBSVTKJQMKLIKK-KFWWJZLASA-N 2 1 267.461 2.370 20 70 CEIDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000217624491 279367233 /nfs/dbraw/zinc/36/72/33/279367233.db2.gz OBSVTKJQMKLIKK-KFWWJZLASA-N 2 1 267.461 2.370 20 70 CEIDMP C[C@H](O)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161001026 232253354 /nfs/dbraw/zinc/25/33/54/232253354.db2.gz GWBGVLJLKTYJIZ-GJZGRUSLSA-N 2 1 254.418 2.098 20 70 CEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161062727 367053664 /nfs/dbraw/zinc/05/36/64/367053664.db2.gz JIBBSXGQCCMXEM-SUJAAXHWSA-N 2 1 267.461 2.178 20 70 CEIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161062727 367053669 /nfs/dbraw/zinc/05/36/69/367053669.db2.gz JIBBSXGQCCMXEM-SUJAAXHWSA-N 3 1 267.461 2.178 20 70 CEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161062727 367053673 /nfs/dbraw/zinc/05/36/73/367053673.db2.gz JIBBSXGQCCMXEM-SUJAAXHWSA-N 3 1 267.461 2.178 20 70 CEIDMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000217914189 370202937 /nfs/dbraw/zinc/20/29/37/370202937.db2.gz MOZOXTODTUFDPD-DZGCQCFKSA-N 2 1 275.396 2.012 20 70 CEIDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000217914189 370202948 /nfs/dbraw/zinc/20/29/48/370202948.db2.gz MOZOXTODTUFDPD-DZGCQCFKSA-N 2 1 275.396 2.012 20 70 CEIDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000217914189 370202955 /nfs/dbraw/zinc/20/29/55/370202955.db2.gz MOZOXTODTUFDPD-DZGCQCFKSA-N 2 1 275.396 2.012 20 70 CEIDMP CC[N@@H+](CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000217516852 153298327 /nfs/dbraw/zinc/29/83/27/153298327.db2.gz UYWWVJVRUZPHTC-CABCVRRESA-N 2 1 267.461 2.371 20 70 CEIDMP C[N@H+](Cc1cccc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000159669140 366937656 /nfs/dbraw/zinc/93/76/56/366937656.db2.gz NMCLFOIBWYLREX-HNNXBMFYSA-N 2 1 255.365 2.404 20 70 CEIDMP C[N@@H+](Cc1cccc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000159669140 366937663 /nfs/dbraw/zinc/93/76/63/366937663.db2.gz NMCLFOIBWYLREX-HNNXBMFYSA-N 2 1 255.365 2.404 20 70 CEIDMP c1cn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000159806272 162315763 /nfs/dbraw/zinc/31/57/63/162315763.db2.gz QIEPOAIKAZXQNU-QGZVFWFLSA-N 2 1 290.455 2.471 20 70 CEIDMP c1cn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000159806272 162315765 /nfs/dbraw/zinc/31/57/65/162315765.db2.gz QIEPOAIKAZXQNU-QGZVFWFLSA-N 2 1 290.455 2.471 20 70 CEIDMP COC(=O)[C@H](C)C[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160843886 277116381 /nfs/dbraw/zinc/11/63/81/277116381.db2.gz KTQBFVLLDCGLBZ-CQSZACIVSA-N 2 1 282.428 2.136 20 70 CEIDMP c1cc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000161420119 526435278 /nfs/dbraw/zinc/43/52/78/526435278.db2.gz OIWJCJDULRSKNJ-KRWDZBQOSA-N 2 1 289.423 2.411 20 70 CEIDMP c1cc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000161420119 526435291 /nfs/dbraw/zinc/43/52/91/526435291.db2.gz OIWJCJDULRSKNJ-KRWDZBQOSA-N 2 1 289.423 2.411 20 70 CEIDMP C[C@H]1C[C@@H](N(C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160591200 367021366 /nfs/dbraw/zinc/02/13/66/367021366.db2.gz ZHEIUWPXWCWXHK-KBPBESRZSA-N 2 1 272.396 2.249 20 70 CEIDMP CCCCC[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000161084061 367055159 /nfs/dbraw/zinc/05/51/59/367055159.db2.gz DQVMAVSYAFBJAR-UHFFFAOYSA-N 2 1 256.434 2.347 20 70 CEIDMP CCc1nn(C)c(CC)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160241578 162324611 /nfs/dbraw/zinc/32/46/11/162324611.db2.gz CNXKXAIXVQRYNU-UONOGXRCSA-N 2 1 290.455 2.261 20 70 CEIDMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160241578 162324612 /nfs/dbraw/zinc/32/46/12/162324612.db2.gz CNXKXAIXVQRYNU-UONOGXRCSA-N 2 1 290.455 2.261 20 70 CEIDMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160241578 162324615 /nfs/dbraw/zinc/32/46/15/162324615.db2.gz CNXKXAIXVQRYNU-UONOGXRCSA-N 2 1 290.455 2.261 20 70 CEIDMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011774 522754582 /nfs/dbraw/zinc/75/45/82/522754582.db2.gz DRAXVEGLKLNXQP-KKUMJFAQSA-N 2 1 264.417 2.334 20 70 CEIDMP C[C@@H]([NH2+]C1CCN(C)CC1)c1cccnc1Cl ZINC000161453411 367087575 /nfs/dbraw/zinc/08/75/75/367087575.db2.gz GBMVQDZQDNJFOE-SNVBAGLBSA-N 2 1 253.777 2.480 20 70 CEIDMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651643 370199553 /nfs/dbraw/zinc/19/95/53/370199553.db2.gz CREPVJBHWVZSKS-SJORKVTESA-N 2 1 287.407 2.361 20 70 CEIDMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651643 370199558 /nfs/dbraw/zinc/19/95/58/370199558.db2.gz CREPVJBHWVZSKS-SJORKVTESA-N 2 1 287.407 2.361 20 70 CEIDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000159828176 162315095 /nfs/dbraw/zinc/31/50/95/162315095.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000159828176 162315099 /nfs/dbraw/zinc/31/50/99/162315099.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159828176 162315102 /nfs/dbraw/zinc/31/51/02/162315102.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 2 1 290.455 2.470 20 70 CEIDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000159828176 162315104 /nfs/dbraw/zinc/31/51/04/162315104.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 2 1 290.455 2.470 20 70 CEIDMP CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000160038553 162323426 /nfs/dbraw/zinc/32/34/26/162323426.db2.gz KEBQNORBDRQCOM-DZGCQCFKSA-N 2 1 277.412 2.441 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000160038553 162323428 /nfs/dbraw/zinc/32/34/28/162323428.db2.gz KEBQNORBDRQCOM-DZGCQCFKSA-N 2 1 277.412 2.441 20 70 CEIDMP OCC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161332126 527561372 /nfs/dbraw/zinc/56/13/72/527561372.db2.gz QBUZGVHKQBZSMD-HNNXBMFYSA-N 2 1 254.418 2.099 20 70 CEIDMP CC(C)c1[nH+]ccn1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159638627 528371450 /nfs/dbraw/zinc/37/14/50/528371450.db2.gz PIZDHTACAGYRCH-UHFFFAOYSA-N 2 1 292.427 2.174 20 70 CEIDMP OCC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000161325419 367078600 /nfs/dbraw/zinc/07/86/00/367078600.db2.gz XKRSSCKIQNAHRU-UHFFFAOYSA-N 2 1 276.424 2.357 20 70 CEIDMP OCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000161325419 367078602 /nfs/dbraw/zinc/07/86/02/367078602.db2.gz XKRSSCKIQNAHRU-UHFFFAOYSA-N 2 1 276.424 2.357 20 70 CEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481092 367091026 /nfs/dbraw/zinc/09/10/26/367091026.db2.gz BSBOSVYXRGHKCL-OHFALNGGSA-N 2 1 276.424 2.081 20 70 CEIDMP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+](C)C1CC1 ZINC000217542113 370197242 /nfs/dbraw/zinc/19/72/42/370197242.db2.gz IICSBQWUUZQNMU-LYRGGWFBSA-N 2 1 259.397 2.204 20 70 CEIDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1O ZINC000217915118 370203336 /nfs/dbraw/zinc/20/33/36/370203336.db2.gz ALQOLQVXARLNGC-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1O ZINC000217915118 370203339 /nfs/dbraw/zinc/20/33/39/370203339.db2.gz ALQOLQVXARLNGC-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1O ZINC000217915118 370203341 /nfs/dbraw/zinc/20/33/41/370203341.db2.gz ALQOLQVXARLNGC-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1O ZINC000217915118 370203345 /nfs/dbraw/zinc/20/33/45/370203345.db2.gz ALQOLQVXARLNGC-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP OCCCC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000161223479 249319739 /nfs/dbraw/zinc/31/97/39/249319739.db2.gz USQORHSCOOWOKA-UHFFFAOYSA-N 2 1 254.418 2.099 20 70 CEIDMP CC(=O)NC1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000161230062 277024609 /nfs/dbraw/zinc/02/46/09/277024609.db2.gz ZCXIFPZLEFOWAH-ODIFPOPNSA-N 2 1 295.471 2.288 20 70 CEIDMP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160629802 522595707 /nfs/dbraw/zinc/59/57/07/522595707.db2.gz CLFDSCINWXADHC-KRWDZBQOSA-N 2 1 292.423 2.033 20 70 CEIDMP C[C@H](O)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161001265 232253329 /nfs/dbraw/zinc/25/33/29/232253329.db2.gz GWBGVLJLKTYJIZ-LSDHHAIUSA-N 2 1 254.418 2.098 20 70 CEIDMP C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000159729645 366943264 /nfs/dbraw/zinc/94/32/64/366943264.db2.gz JESUVUWQXUVPLW-KBPBESRZSA-N 2 1 268.445 2.390 20 70 CEIDMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000159450207 366914681 /nfs/dbraw/zinc/91/46/81/366914681.db2.gz FWVQNWFNFFNFGX-ZIAGYGMSSA-N 2 1 299.459 2.316 20 70 CEIDMP C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160071553 366969684 /nfs/dbraw/zinc/96/96/84/366969684.db2.gz VTRKGERAUJIGAB-AWEZNQCLSA-N 2 1 295.814 2.338 20 70 CEIDMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160071553 366969689 /nfs/dbraw/zinc/96/96/89/366969689.db2.gz VTRKGERAUJIGAB-AWEZNQCLSA-N 2 1 295.814 2.338 20 70 CEIDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000161113310 367057623 /nfs/dbraw/zinc/05/76/23/367057623.db2.gz WONMZPXSPGHKGK-JSGCOSHPSA-N 2 1 276.380 2.030 20 70 CEIDMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc2c1OCO2 ZINC000159983821 162319889 /nfs/dbraw/zinc/31/98/89/162319889.db2.gz WDELEJUQKFLIGU-CYBMUJFWSA-N 2 1 292.379 2.127 20 70 CEIDMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc2c1OCO2 ZINC000159983821 162319894 /nfs/dbraw/zinc/31/98/94/162319894.db2.gz WDELEJUQKFLIGU-CYBMUJFWSA-N 2 1 292.379 2.127 20 70 CEIDMP CCc1nn(C)c(CC)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160241448 162324545 /nfs/dbraw/zinc/32/45/45/162324545.db2.gz CNXKXAIXVQRYNU-ZIAGYGMSSA-N 2 1 290.455 2.261 20 70 CEIDMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160241448 162324546 /nfs/dbraw/zinc/32/45/46/162324546.db2.gz CNXKXAIXVQRYNU-ZIAGYGMSSA-N 2 1 290.455 2.261 20 70 CEIDMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160241448 162324551 /nfs/dbraw/zinc/32/45/51/162324551.db2.gz CNXKXAIXVQRYNU-ZIAGYGMSSA-N 2 1 290.455 2.261 20 70 CEIDMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000160266024 162326369 /nfs/dbraw/zinc/32/63/69/162326369.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 2 1 267.461 2.181 20 70 CEIDMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000160266024 162326371 /nfs/dbraw/zinc/32/63/71/162326371.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 3 1 267.461 2.181 20 70 CEIDMP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000160266024 162326373 /nfs/dbraw/zinc/32/63/73/162326373.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 3 1 267.461 2.181 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000161450761 162328488 /nfs/dbraw/zinc/32/84/88/162328488.db2.gz UCNXLJBOOUIAFQ-OAHLLOKOSA-N 2 1 265.401 2.473 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCCCO1 ZINC000161450761 162328491 /nfs/dbraw/zinc/32/84/91/162328491.db2.gz UCNXLJBOOUIAFQ-OAHLLOKOSA-N 2 1 265.401 2.473 20 70 CEIDMP CC[C@H](O)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161190437 535998047 /nfs/dbraw/zinc/99/80/47/535998047.db2.gz TVEMGJZVWGDMPV-HOTGVXAUSA-N 2 1 268.445 2.488 20 70 CEIDMP CC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160478780 188475758 /nfs/dbraw/zinc/47/57/58/188475758.db2.gz HCGAXJFQFKCWQL-AWEZNQCLSA-N 2 1 262.397 2.407 20 70 CEIDMP CC[N@H+](C)CCNc1cc[nH+]cc1Br ZINC000159841109 366953843 /nfs/dbraw/zinc/95/38/43/366953843.db2.gz CCXYZWJSMXSUPQ-UHFFFAOYSA-N 2 1 258.163 2.208 20 70 CEIDMP CC[N@@H+](C)CCNc1cc[nH+]cc1Br ZINC000159841109 366953846 /nfs/dbraw/zinc/95/38/46/366953846.db2.gz CCXYZWJSMXSUPQ-UHFFFAOYSA-N 2 1 258.163 2.208 20 70 CEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481211 367091099 /nfs/dbraw/zinc/09/10/99/367091099.db2.gz BSBOSVYXRGHKCL-TXCZRRACSA-N 2 1 276.424 2.081 20 70 CEIDMP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+](C)C1CC1 ZINC000217541962 370196824 /nfs/dbraw/zinc/19/68/24/370196824.db2.gz IICSBQWUUZQNMU-HFBAOOFYSA-N 2 1 259.397 2.204 20 70 CEIDMP C(C[N@@H+](C[C@H]1CCOC1)C1CC1)C[NH+]1CCCCC1 ZINC000161274102 518384971 /nfs/dbraw/zinc/38/49/71/518384971.db2.gz BOWBVRSDNUPDFP-OAHLLOKOSA-N 2 1 266.429 2.363 20 70 CEIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000161492337 539279510 /nfs/dbraw/zinc/27/95/10/539279510.db2.gz TWDPCBGPPNSGOI-BUXKBTBVSA-N 2 1 280.437 2.169 20 70 CEIDMP CCCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000160163557 540112699 /nfs/dbraw/zinc/11/26/99/540112699.db2.gz NVLGQLKSRBXOHX-GOOCMWNKSA-N 2 1 276.428 2.398 20 70 CEIDMP CC[C@H](C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160671869 395061929 /nfs/dbraw/zinc/06/19/29/395061929.db2.gz JJAUTCRPKDANLL-SOUVJXGZSA-N 2 1 256.434 2.248 20 70 CEIDMP c1cc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000161290750 526436782 /nfs/dbraw/zinc/43/67/82/526436782.db2.gz GACXBZSVUFVRAV-HNNXBMFYSA-N 2 1 276.428 2.465 20 70 CEIDMP c1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000161290750 526436788 /nfs/dbraw/zinc/43/67/88/526436788.db2.gz GACXBZSVUFVRAV-HNNXBMFYSA-N 2 1 276.428 2.465 20 70 CEIDMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159460593 366916390 /nfs/dbraw/zinc/91/63/90/366916390.db2.gz KFYLKAQMRSVJQR-UONOGXRCSA-N 2 1 299.459 2.173 20 70 CEIDMP CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H](CN)C1 ZINC000161004718 367048592 /nfs/dbraw/zinc/04/85/92/367048592.db2.gz JXZPFSOSXDNLGS-HUUCEWRRSA-N 2 1 262.397 2.242 20 70 CEIDMP CO[C@@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H](C[NH3+])C1 ZINC000161004718 367048594 /nfs/dbraw/zinc/04/85/94/367048594.db2.gz JXZPFSOSXDNLGS-HUUCEWRRSA-N 2 1 262.397 2.242 20 70 CEIDMP CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H](C[NH3+])C1 ZINC000161004718 367048600 /nfs/dbraw/zinc/04/86/00/367048600.db2.gz JXZPFSOSXDNLGS-HUUCEWRRSA-N 2 1 262.397 2.242 20 70 CEIDMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000161329931 367078266 /nfs/dbraw/zinc/07/82/66/367078266.db2.gz PQQPQUCMEAJHGQ-ROUUACIJSA-N 2 1 287.451 2.459 20 70 CEIDMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000161329931 367078273 /nfs/dbraw/zinc/07/82/73/367078273.db2.gz PQQPQUCMEAJHGQ-ROUUACIJSA-N 2 1 287.451 2.459 20 70 CEIDMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000161329931 367078278 /nfs/dbraw/zinc/07/82/78/367078278.db2.gz PQQPQUCMEAJHGQ-ROUUACIJSA-N 2 1 287.451 2.459 20 70 CEIDMP CC(C)(O)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161445678 277319421 /nfs/dbraw/zinc/31/94/21/277319421.db2.gz ZTDYAUGDZJKRLS-CQSZACIVSA-N 2 1 254.418 2.098 20 70 CEIDMP c1cn(CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cn1 ZINC000159849968 232248963 /nfs/dbraw/zinc/24/89/63/232248963.db2.gz UQGVIHPOBILFJV-HNNXBMFYSA-N 2 1 263.385 2.307 20 70 CEIDMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000217698718 370200588 /nfs/dbraw/zinc/20/05/88/370200588.db2.gz MIGSOOFNXCNGJA-SJORKVTESA-N 2 1 256.393 2.370 20 70 CEIDMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000217698718 370200589 /nfs/dbraw/zinc/20/05/89/370200589.db2.gz MIGSOOFNXCNGJA-SJORKVTESA-N 2 1 256.393 2.370 20 70 CEIDMP CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000217941383 153299011 /nfs/dbraw/zinc/29/90/11/153299011.db2.gz JFVZCQVMRHALPS-ZJIFWQFVSA-N 2 1 269.477 2.281 20 70 CEIDMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000160247543 366985951 /nfs/dbraw/zinc/98/59/51/366985951.db2.gz FEXUQXVCOFMQOU-GOEBONIOSA-N 2 1 262.397 2.102 20 70 CEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cncs1 ZINC000160694563 296122094 /nfs/dbraw/zinc/12/20/94/296122094.db2.gz LWJWEDHJPBLLSR-CHWSQXEVSA-N 2 1 283.441 2.031 20 70 CEIDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000217442821 153296082 /nfs/dbraw/zinc/29/60/82/153296082.db2.gz BBRCCYXFCUVZKU-UONOGXRCSA-N 2 1 264.417 2.335 20 70 CEIDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000217442821 153296087 /nfs/dbraw/zinc/29/60/87/153296087.db2.gz BBRCCYXFCUVZKU-UONOGXRCSA-N 2 1 264.417 2.335 20 70 CEIDMP CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000160038663 162322941 /nfs/dbraw/zinc/32/29/41/162322941.db2.gz KEBQNORBDRQCOM-HIFRSBDPSA-N 2 1 277.412 2.441 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000160038663 162322944 /nfs/dbraw/zinc/32/29/44/162322944.db2.gz KEBQNORBDRQCOM-HIFRSBDPSA-N 2 1 277.412 2.441 20 70 CEIDMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000161462459 519645326 /nfs/dbraw/zinc/64/53/26/519645326.db2.gz URFFUPICFHMYIX-KLAILNCOSA-N 2 1 295.471 2.144 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H](CO)C(C)(C)C ZINC000161444962 522750538 /nfs/dbraw/zinc/75/05/38/522750538.db2.gz KFPJMOGBJWHVFQ-CQSZACIVSA-N 2 1 256.434 2.201 20 70 CEIDMP Cn1cc(C[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000161366299 527235303 /nfs/dbraw/zinc/23/53/03/527235303.db2.gz WMHQAKQRCQZTOT-MRXNPFEDSA-N 2 1 290.455 2.161 20 70 CEIDMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000160067198 366970631 /nfs/dbraw/zinc/97/06/31/366970631.db2.gz DOHORVSJSDUHTO-CQSZACIVSA-N 2 1 295.814 2.338 20 70 CEIDMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000160067198 366970634 /nfs/dbraw/zinc/97/06/34/366970634.db2.gz DOHORVSJSDUHTO-CQSZACIVSA-N 2 1 295.814 2.338 20 70 CEIDMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011533 395062763 /nfs/dbraw/zinc/06/27/63/395062763.db2.gz DRAXVEGLKLNXQP-ILXRZTDVSA-N 2 1 264.417 2.334 20 70 CEIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000161275195 282069780 /nfs/dbraw/zinc/06/97/80/282069780.db2.gz LRFFPQZHGGNJOD-AWEZNQCLSA-N 2 1 297.487 2.378 20 70 CEIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160750196 522580724 /nfs/dbraw/zinc/58/07/24/522580724.db2.gz RCEJHGJPYDQHMC-CABCVRRESA-N 2 1 254.418 2.002 20 70 CEIDMP CCCn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000160112410 540111889 /nfs/dbraw/zinc/11/18/89/540111889.db2.gz UUGHMASZBGGMIE-CQSZACIVSA-N 2 1 264.417 2.113 20 70 CEIDMP CCCn1nccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000160112410 540111893 /nfs/dbraw/zinc/11/18/93/540111893.db2.gz UUGHMASZBGGMIE-CQSZACIVSA-N 2 1 264.417 2.113 20 70 CEIDMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000160865211 279353464 /nfs/dbraw/zinc/35/34/64/279353464.db2.gz BEGRWMVXLOKARU-JZXOWHBKSA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000160865211 279353466 /nfs/dbraw/zinc/35/34/66/279353466.db2.gz BEGRWMVXLOKARU-JZXOWHBKSA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000160865211 279353468 /nfs/dbraw/zinc/35/34/68/279353468.db2.gz BEGRWMVXLOKARU-JZXOWHBKSA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000160865211 279353473 /nfs/dbraw/zinc/35/34/73/279353473.db2.gz BEGRWMVXLOKARU-JZXOWHBKSA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000160865211 279353477 /nfs/dbraw/zinc/35/34/77/279353477.db2.gz BEGRWMVXLOKARU-JZXOWHBKSA-N 2 1 289.467 2.437 20 70 CEIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000161275327 282070169 /nfs/dbraw/zinc/07/01/69/282070169.db2.gz LRFFPQZHGGNJOD-CQSZACIVSA-N 2 1 297.487 2.378 20 70 CEIDMP CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160611686 297438597 /nfs/dbraw/zinc/43/85/97/297438597.db2.gz JYZNPISGMXTSNL-AWEZNQCLSA-N 2 1 262.397 2.407 20 70 CEIDMP CC[C@@H](C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160671750 522359571 /nfs/dbraw/zinc/35/95/71/522359571.db2.gz JJAUTCRPKDANLL-QLFBSQMISA-N 2 1 256.434 2.248 20 70 CEIDMP CCn1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161083858 523458808 /nfs/dbraw/zinc/45/88/08/523458808.db2.gz BQZGKWCVEAWDOV-YUELXQCFSA-N 2 1 264.417 2.426 20 70 CEIDMP CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161084205 523477459 /nfs/dbraw/zinc/47/74/59/523477459.db2.gz BQZGKWCVEAWDOV-QEJZJMRPSA-N 2 1 264.417 2.426 20 70 CEIDMP C[NH+](C)[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159574317 366927897 /nfs/dbraw/zinc/92/78/97/366927897.db2.gz BVNDGRWZTREGDO-OAHLLOKOSA-N 2 1 289.423 2.067 20 70 CEIDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCCC1 ZINC000161474177 367089047 /nfs/dbraw/zinc/08/90/47/367089047.db2.gz KVTMFCNVJVEHHI-SJORKVTESA-N 2 1 279.472 2.421 20 70 CEIDMP C[C@H]1C[C@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405466 232253729 /nfs/dbraw/zinc/25/37/29/232253729.db2.gz GDDSXDNJBVGLCG-JKSUJKDBSA-N 2 1 267.461 2.277 20 70 CEIDMP CCC[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000161157710 540733239 /nfs/dbraw/zinc/73/32/39/540733239.db2.gz IWOVIGSAXXUDND-INIZCTEOSA-N 2 1 267.461 2.325 20 70 CEIDMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000160247418 366985294 /nfs/dbraw/zinc/98/52/94/366985294.db2.gz FEXUQXVCOFMQOU-HOCLYGCPSA-N 2 1 262.397 2.102 20 70 CEIDMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161042307 367050707 /nfs/dbraw/zinc/05/07/07/367050707.db2.gz CFTFLMROLAZXHF-WCVJEAGWSA-N 2 1 267.461 2.179 20 70 CEIDMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161042307 367050715 /nfs/dbraw/zinc/05/07/15/367050715.db2.gz CFTFLMROLAZXHF-WCVJEAGWSA-N 3 1 267.461 2.179 20 70 CEIDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161042307 367050719 /nfs/dbraw/zinc/05/07/19/367050719.db2.gz CFTFLMROLAZXHF-WCVJEAGWSA-N 3 1 267.461 2.179 20 70 CEIDMP COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000161455264 367087661 /nfs/dbraw/zinc/08/76/61/367087661.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 2 1 292.423 2.477 20 70 CEIDMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1 ZINC000161455264 367087665 /nfs/dbraw/zinc/08/76/65/367087665.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 2 1 292.423 2.477 20 70 CEIDMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000161455264 367087674 /nfs/dbraw/zinc/08/76/74/367087674.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 2 1 292.423 2.477 20 70 CEIDMP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161450783 367087878 /nfs/dbraw/zinc/08/78/78/367087878.db2.gz WCAUWEIGPTVZBO-CQSZACIVSA-N 2 1 292.423 2.457 20 70 CEIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161480960 367091241 /nfs/dbraw/zinc/09/12/41/367091241.db2.gz BSBOSVYXRGHKCL-JHNDHUHGSA-N 2 1 276.424 2.081 20 70 CEIDMP Cc1nc2ccccn2c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000159809337 162314879 /nfs/dbraw/zinc/31/48/79/162314879.db2.gz WHFBDFMAQZWBGC-UHFFFAOYSA-N 2 1 286.423 2.416 20 70 CEIDMP CC[N@@H+](CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000217516768 279206469 /nfs/dbraw/zinc/20/64/69/279206469.db2.gz UYWWVJVRUZPHTC-GJZGRUSLSA-N 2 1 267.461 2.371 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161468799 527399218 /nfs/dbraw/zinc/39/92/18/527399218.db2.gz XOSJOOVBBGGPEU-CYBMUJFWSA-N 2 1 265.401 2.471 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161468799 527399222 /nfs/dbraw/zinc/39/92/22/527399222.db2.gz XOSJOOVBBGGPEU-CYBMUJFWSA-N 2 1 265.401 2.471 20 70 CEIDMP C[C@H]1C[C@@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405704 232254211 /nfs/dbraw/zinc/25/42/11/232254211.db2.gz GDDSXDNJBVGLCG-HOTGVXAUSA-N 2 1 267.461 2.277 20 70 CEIDMP c1cc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000161290643 367076214 /nfs/dbraw/zinc/07/62/14/367076214.db2.gz GACXBZSVUFVRAV-OAHLLOKOSA-N 2 1 276.428 2.465 20 70 CEIDMP c1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000161290643 367076217 /nfs/dbraw/zinc/07/62/17/367076217.db2.gz GACXBZSVUFVRAV-OAHLLOKOSA-N 2 1 276.428 2.465 20 70 CEIDMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000217558181 370197072 /nfs/dbraw/zinc/19/70/72/370197072.db2.gz OYQKPRPRVUUDLC-MXASKKJJSA-N 2 1 279.472 2.370 20 70 CEIDMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000217558181 370197078 /nfs/dbraw/zinc/19/70/78/370197078.db2.gz OYQKPRPRVUUDLC-MXASKKJJSA-N 2 1 279.472 2.370 20 70 CEIDMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000217624641 370198049 /nfs/dbraw/zinc/19/80/49/370198049.db2.gz OBSVTKJQMKLIKK-RBSFLKMASA-N 2 1 267.461 2.370 20 70 CEIDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000217624641 370198055 /nfs/dbraw/zinc/19/80/55/370198055.db2.gz OBSVTKJQMKLIKK-RBSFLKMASA-N 2 1 267.461 2.370 20 70 CEIDMP CC[C@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160498532 367011310 /nfs/dbraw/zinc/01/13/10/367011310.db2.gz IMNPMAVSVXCJGX-QGZVFWFLSA-N 2 1 292.423 2.033 20 70 CEIDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161121954 367059546 /nfs/dbraw/zinc/05/95/46/367059546.db2.gz ZTAAMMMOQLEUCO-UKRRQHHQSA-N 2 1 290.407 2.278 20 70 CEIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000160728282 367029917 /nfs/dbraw/zinc/02/99/17/367029917.db2.gz ZKRWWIQOWLJFJJ-HUUCEWRRSA-N 2 1 256.434 2.248 20 70 CEIDMP C[NH2+]C[C@H](C)CNc1cc[nH+]cc1Br ZINC000159921603 162319366 /nfs/dbraw/zinc/31/93/66/162319366.db2.gz YPLYLAALDYBWNL-QMMMGPOBSA-N 2 1 258.163 2.112 20 70 CEIDMP C[N@H+](Cc1cccc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000159669296 366936885 /nfs/dbraw/zinc/93/68/85/366936885.db2.gz NMCLFOIBWYLREX-OAHLLOKOSA-N 2 1 255.365 2.404 20 70 CEIDMP C[N@@H+](Cc1cccc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000159669296 366936888 /nfs/dbraw/zinc/93/68/88/366936888.db2.gz NMCLFOIBWYLREX-OAHLLOKOSA-N 2 1 255.365 2.404 20 70 CEIDMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000160067039 366969779 /nfs/dbraw/zinc/96/97/79/366969779.db2.gz DOHORVSJSDUHTO-AWEZNQCLSA-N 2 1 295.814 2.338 20 70 CEIDMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000160067039 366969786 /nfs/dbraw/zinc/96/97/86/366969786.db2.gz DOHORVSJSDUHTO-AWEZNQCLSA-N 2 1 295.814 2.338 20 70 CEIDMP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000159994247 162320542 /nfs/dbraw/zinc/32/05/42/162320542.db2.gz FKDBKYFKLDPEAI-CYBMUJFWSA-N 2 1 294.395 2.229 20 70 CEIDMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000159994247 162320543 /nfs/dbraw/zinc/32/05/43/162320543.db2.gz FKDBKYFKLDPEAI-CYBMUJFWSA-N 2 1 294.395 2.229 20 70 CEIDMP C[C@H]1CC[N@H+](CCn2ccnc2)CCN1Cc1ccccc1 ZINC000159863679 162316982 /nfs/dbraw/zinc/31/69/82/162316982.db2.gz PDXVOMUTXYEHLG-KRWDZBQOSA-N 2 1 298.434 2.480 20 70 CEIDMP C[C@H]1CC[N@@H+](CCn2ccnc2)CCN1Cc1ccccc1 ZINC000159863679 162316984 /nfs/dbraw/zinc/31/69/84/162316984.db2.gz PDXVOMUTXYEHLG-KRWDZBQOSA-N 2 1 298.434 2.480 20 70 CEIDMP CC(=O)NC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000161205617 519645163 /nfs/dbraw/zinc/64/51/63/519645163.db2.gz LMLGTVICDDPZOJ-UHFFFAOYSA-N 2 1 283.460 2.142 20 70 CEIDMP COC(C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000160751217 522529339 /nfs/dbraw/zinc/52/93/39/522529339.db2.gz WLRMESUUTRUTQW-HNNXBMFYSA-N 2 1 284.444 2.049 20 70 CEIDMP COC(C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000160751217 522529350 /nfs/dbraw/zinc/52/93/50/522529350.db2.gz WLRMESUUTRUTQW-HNNXBMFYSA-N 2 1 284.444 2.049 20 70 CEIDMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@H+]1C ZINC000159885248 366955969 /nfs/dbraw/zinc/95/59/69/366955969.db2.gz VSTFKXBIMRRAJR-BNOWGMLFSA-N 2 1 268.426 2.028 20 70 CEIDMP C[C@H]1C[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110411 366974656 /nfs/dbraw/zinc/97/46/56/366974656.db2.gz BUXKMJQYMDPYNL-WMLDXEAASA-N 2 1 293.430 2.330 20 70 CEIDMP CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000160067634 162323330 /nfs/dbraw/zinc/32/33/30/162323330.db2.gz NFMCJYBRRIBYNX-HIFRSBDPSA-N 2 1 277.412 2.299 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)cn1 ZINC000160067634 162323333 /nfs/dbraw/zinc/32/33/33/162323333.db2.gz NFMCJYBRRIBYNX-HIFRSBDPSA-N 2 1 277.412 2.299 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000160067634 162323335 /nfs/dbraw/zinc/32/33/35/162323335.db2.gz NFMCJYBRRIBYNX-HIFRSBDPSA-N 2 1 277.412 2.299 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000160067634 162323338 /nfs/dbraw/zinc/32/33/38/162323338.db2.gz NFMCJYBRRIBYNX-HIFRSBDPSA-N 2 1 277.412 2.299 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)CC1(O)CCCC1 ZINC000161450303 522749991 /nfs/dbraw/zinc/74/99/91/522749991.db2.gz CTEWONRWZWJQAQ-UHFFFAOYSA-N 2 1 254.418 2.099 20 70 CEIDMP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405591 232254280 /nfs/dbraw/zinc/25/42/80/232254280.db2.gz GDDSXDNJBVGLCG-CVEARBPZSA-N 2 1 267.461 2.277 20 70 CEIDMP C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160071676 366970244 /nfs/dbraw/zinc/97/02/44/366970244.db2.gz VTRKGERAUJIGAB-CQSZACIVSA-N 2 1 295.814 2.338 20 70 CEIDMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160071676 366970250 /nfs/dbraw/zinc/97/02/50/366970250.db2.gz VTRKGERAUJIGAB-CQSZACIVSA-N 2 1 295.814 2.338 20 70 CEIDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@@H+]1C ZINC000160945160 367045237 /nfs/dbraw/zinc/04/52/37/367045237.db2.gz NSWKAZJYGRAFQW-VNQPRFMTSA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000160945160 367045242 /nfs/dbraw/zinc/04/52/42/367045242.db2.gz NSWKAZJYGRAFQW-VNQPRFMTSA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403209 524556909 /nfs/dbraw/zinc/55/69/09/524556909.db2.gz PCHRUPMEBGWGCB-XIRDDKMYSA-N 2 1 281.488 2.427 20 70 CEIDMP CCCn1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000160142577 540112331 /nfs/dbraw/zinc/11/23/31/540112331.db2.gz WTZILNSKTIWCJD-CQSZACIVSA-N 2 1 264.417 2.115 20 70 CEIDMP COC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000161097754 367056694 /nfs/dbraw/zinc/05/66/94/367056694.db2.gz XKYCHIZYXDSZCP-UHFFFAOYSA-N 2 1 270.417 2.136 20 70 CEIDMP C[NH+](C)C1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCCC1 ZINC000160670793 367025882 /nfs/dbraw/zinc/02/58/82/367025882.db2.gz PUYHIKFEINWLIE-UHFFFAOYSA-N 2 1 299.459 2.365 20 70 CEIDMP CC[N@@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000217419850 279207411 /nfs/dbraw/zinc/20/74/11/279207411.db2.gz RLNTYQOVMJRUTB-CVEARBPZSA-N 2 1 259.397 2.205 20 70 CEIDMP CCC([NH3+])(CC)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000160499217 528925349 /nfs/dbraw/zinc/92/53/49/528925349.db2.gz PLHXATVTCHXRMX-UHFFFAOYSA-N 2 1 280.416 2.030 20 70 CEIDMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000160222107 366983410 /nfs/dbraw/zinc/98/34/10/366983410.db2.gz FEXUQXVCOFMQOU-GDBMZVCRSA-N 2 1 262.397 2.102 20 70 CEIDMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000160222007 366984260 /nfs/dbraw/zinc/98/42/60/366984260.db2.gz FEXUQXVCOFMQOU-ZBFHGGJFSA-N 2 1 262.397 2.102 20 70 CEIDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161121824 367059825 /nfs/dbraw/zinc/05/98/25/367059825.db2.gz ZTAAMMMOQLEUCO-HIFRSBDPSA-N 2 1 290.407 2.278 20 70 CEIDMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161465173 367089393 /nfs/dbraw/zinc/08/93/93/367089393.db2.gz HSXBNHIECVZGNO-LBPRGKRZSA-N 2 1 251.374 2.081 20 70 CEIDMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161465173 367089397 /nfs/dbraw/zinc/08/93/97/367089397.db2.gz HSXBNHIECVZGNO-LBPRGKRZSA-N 2 1 251.374 2.081 20 70 CEIDMP C[N@@H+](CCn1ccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862291 162316505 /nfs/dbraw/zinc/31/65/05/162316505.db2.gz MOIHXYPXVSMNEZ-GOSISDBHSA-N 2 1 298.434 2.337 20 70 CEIDMP C[N@H+](CCn1ccnc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000159862291 162316520 /nfs/dbraw/zinc/31/65/20/162316520.db2.gz MOIHXYPXVSMNEZ-GOSISDBHSA-N 3 1 298.434 2.337 20 70 CEIDMP C[N@@H+](CCn1ccnc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000159862291 162316524 /nfs/dbraw/zinc/31/65/24/162316524.db2.gz MOIHXYPXVSMNEZ-GOSISDBHSA-N 3 1 298.434 2.337 20 70 CEIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919821 279353524 /nfs/dbraw/zinc/35/35/24/279353524.db2.gz NWFSFZIVMHPMJA-INMHGKMJSA-N 2 1 287.451 2.367 20 70 CEIDMP COC(C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000160751297 522534849 /nfs/dbraw/zinc/53/48/49/522534849.db2.gz WLRMESUUTRUTQW-OAHLLOKOSA-N 2 1 284.444 2.049 20 70 CEIDMP COC(C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000160751297 522534853 /nfs/dbraw/zinc/53/48/53/522534853.db2.gz WLRMESUUTRUTQW-OAHLLOKOSA-N 2 1 284.444 2.049 20 70 CEIDMP CCCn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000160112283 539273281 /nfs/dbraw/zinc/27/32/81/539273281.db2.gz UUGHMASZBGGMIE-AWEZNQCLSA-N 2 1 264.417 2.113 20 70 CEIDMP CCCn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000160112283 539273282 /nfs/dbraw/zinc/27/32/82/539273282.db2.gz UUGHMASZBGGMIE-AWEZNQCLSA-N 2 1 264.417 2.113 20 70 CEIDMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000160752041 367031586 /nfs/dbraw/zinc/03/15/86/367031586.db2.gz UPDLQZNLNFQERJ-CVEARBPZSA-N 2 1 268.445 2.248 20 70 CEIDMP CCn1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161084073 276714919 /nfs/dbraw/zinc/71/49/19/276714919.db2.gz BQZGKWCVEAWDOV-SNPRPXQTSA-N 2 1 264.417 2.426 20 70 CEIDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160787931 523793779 /nfs/dbraw/zinc/79/37/79/523793779.db2.gz SBQRCRAZNLQMAW-BRWVUGGUSA-N 2 1 280.456 2.488 20 70 CEIDMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160787931 523793788 /nfs/dbraw/zinc/79/37/88/523793788.db2.gz SBQRCRAZNLQMAW-BRWVUGGUSA-N 2 1 280.456 2.488 20 70 CEIDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160787931 523793790 /nfs/dbraw/zinc/79/37/90/523793790.db2.gz SBQRCRAZNLQMAW-BRWVUGGUSA-N 2 1 280.456 2.488 20 70 CEIDMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cnccn1 ZINC000160868586 367039509 /nfs/dbraw/zinc/03/95/09/367039509.db2.gz WZUFYWHJMRXZSL-ZDUSSCGKSA-N 2 1 270.380 2.389 20 70 CEIDMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@@H+]1C ZINC000160944896 367046083 /nfs/dbraw/zinc/04/60/83/367046083.db2.gz NSWKAZJYGRAFQW-FVQBIDKESA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000160944896 367046087 /nfs/dbraw/zinc/04/60/87/367046087.db2.gz NSWKAZJYGRAFQW-FVQBIDKESA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481338 367090973 /nfs/dbraw/zinc/09/09/73/367090973.db2.gz BSBOSVYXRGHKCL-YQFWSFKMSA-N 2 1 276.424 2.081 20 70 CEIDMP CC(=O)NC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000161351361 277025288 /nfs/dbraw/zinc/02/52/88/277025288.db2.gz QHNZEFBPZUKICW-QBBMROGASA-N 2 1 295.471 2.144 20 70 CEIDMP CC(=O)NC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000161351361 277025289 /nfs/dbraw/zinc/02/52/89/277025289.db2.gz QHNZEFBPZUKICW-QBBMROGASA-N 2 1 295.471 2.144 20 70 CEIDMP CC[C@@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160671495 280116100 /nfs/dbraw/zinc/11/61/00/280116100.db2.gz JJAUTCRPKDANLL-RBSFLKMASA-N 2 1 256.434 2.248 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCOC1 ZINC000161020930 529886910 /nfs/dbraw/zinc/88/69/10/529886910.db2.gz JWDPUZDMTPNBSQ-OAHLLOKOSA-N 2 1 254.418 2.221 20 70 CEIDMP CCC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217026029 344535129 /nfs/dbraw/zinc/53/51/29/344535129.db2.gz YZVHXSPDGMOEJO-XHSDSOJGSA-N 2 1 295.471 2.003 20 70 CEIDMP C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@@H+]1C ZINC000160945294 367044988 /nfs/dbraw/zinc/04/49/88/367044988.db2.gz NSWKAZJYGRAFQW-CWRNSKLLSA-N 2 1 262.397 2.182 20 70 CEIDMP C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000160945294 367044995 /nfs/dbraw/zinc/04/49/95/367044995.db2.gz NSWKAZJYGRAFQW-CWRNSKLLSA-N 2 1 262.397 2.182 20 70 CEIDMP CC(=O)NC1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000161268727 277024437 /nfs/dbraw/zinc/02/44/37/277024437.db2.gz NKUGTRJDFABFTH-JCYILVPMSA-N 2 1 295.471 2.144 20 70 CEIDMP CO[C@@H]1CC[N@H+](CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000160982511 523685869 /nfs/dbraw/zinc/68/58/69/523685869.db2.gz WYLLAFHTRZMGHE-JKSUJKDBSA-N 2 1 262.397 2.057 20 70 CEIDMP CO[C@@H]1CC[N@@H+](CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000160982511 523685874 /nfs/dbraw/zinc/68/58/74/523685874.db2.gz WYLLAFHTRZMGHE-JKSUJKDBSA-N 2 1 262.397 2.057 20 70 CEIDMP C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110540 366974864 /nfs/dbraw/zinc/97/48/64/366974864.db2.gz BUXKMJQYMDPYNL-PBHICJAKSA-N 2 1 293.430 2.330 20 70 CEIDMP C[C@H]1C[C@H](N(C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160590880 367021165 /nfs/dbraw/zinc/02/11/65/367021165.db2.gz ZHEIUWPXWCWXHK-UONOGXRCSA-N 2 1 272.396 2.249 20 70 CEIDMP C[NH2+]C[C@@H](C)CNc1cc[nH+]cc1Br ZINC000159921742 162318889 /nfs/dbraw/zinc/31/88/89/162318889.db2.gz YPLYLAALDYBWNL-MRVPVSSYSA-N 2 1 258.163 2.112 20 70 CEIDMP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000159994373 162320420 /nfs/dbraw/zinc/32/04/20/162320420.db2.gz FKDBKYFKLDPEAI-ZDUSSCGKSA-N 2 1 294.395 2.229 20 70 CEIDMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000159994373 162320424 /nfs/dbraw/zinc/32/04/24/162320424.db2.gz FKDBKYFKLDPEAI-ZDUSSCGKSA-N 2 1 294.395 2.229 20 70 CEIDMP CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000160038446 162322730 /nfs/dbraw/zinc/32/27/30/162322730.db2.gz KEBQNORBDRQCOM-UKRRQHHQSA-N 2 1 277.412 2.441 20 70 CEIDMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000160038446 162322732 /nfs/dbraw/zinc/32/27/32/162322732.db2.gz KEBQNORBDRQCOM-UKRRQHHQSA-N 2 1 277.412 2.441 20 70 CEIDMP CC[N@@H+](C)C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161396811 279039658 /nfs/dbraw/zinc/03/96/58/279039658.db2.gz FHBPSEBWAVSNMI-MRXNPFEDSA-N 2 1 267.461 2.136 20 70 CEIDMP CCCn1nccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000159980779 540109044 /nfs/dbraw/zinc/10/90/44/540109044.db2.gz CSSWVNHRWUSZOC-UHFFFAOYSA-N 2 1 264.417 2.259 20 70 CEIDMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651719 394454328 /nfs/dbraw/zinc/45/43/28/394454328.db2.gz CREPVJBHWVZSKS-IRXDYDNUSA-N 2 1 287.407 2.361 20 70 CEIDMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651719 394454331 /nfs/dbraw/zinc/45/43/31/394454331.db2.gz CREPVJBHWVZSKS-IRXDYDNUSA-N 2 1 287.407 2.361 20 70 CEIDMP COC(=O)[C@@H](C)C[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000160843771 534211750 /nfs/dbraw/zinc/21/17/50/534211750.db2.gz KTQBFVLLDCGLBZ-AWEZNQCLSA-N 2 1 282.428 2.136 20 70 CEIDMP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161083948 523476027 /nfs/dbraw/zinc/47/60/27/523476027.db2.gz BQZGKWCVEAWDOV-CFVMTHIKSA-N 2 1 264.417 2.426 20 70 CEIDMP OCC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161331994 527569392 /nfs/dbraw/zinc/56/93/92/527569392.db2.gz QBUZGVHKQBZSMD-OAHLLOKOSA-N 2 1 254.418 2.099 20 70 CEIDMP COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000161455399 367087709 /nfs/dbraw/zinc/08/77/09/367087709.db2.gz FPECGZHFKZWEBH-CQSZACIVSA-N 2 1 292.423 2.477 20 70 CEIDMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(OC)c1 ZINC000161455399 367087712 /nfs/dbraw/zinc/08/77/12/367087712.db2.gz FPECGZHFKZWEBH-CQSZACIVSA-N 2 1 292.423 2.477 20 70 CEIDMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000161455399 367087724 /nfs/dbraw/zinc/08/77/24/367087724.db2.gz FPECGZHFKZWEBH-CQSZACIVSA-N 2 1 292.423 2.477 20 70 CEIDMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217028936 153297619 /nfs/dbraw/zinc/29/76/19/153297619.db2.gz UAVVNCFIZYJOJY-CABCVRRESA-N 2 1 295.471 2.003 20 70 CEIDMP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000217914275 370203153 /nfs/dbraw/zinc/20/31/53/370203153.db2.gz MOZOXTODTUFDPD-ZFWWWQNUSA-N 2 1 275.396 2.012 20 70 CEIDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000217914275 370203159 /nfs/dbraw/zinc/20/31/59/370203159.db2.gz MOZOXTODTUFDPD-ZFWWWQNUSA-N 2 1 275.396 2.012 20 70 CEIDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000217914275 370203164 /nfs/dbraw/zinc/20/31/64/370203164.db2.gz MOZOXTODTUFDPD-ZFWWWQNUSA-N 2 1 275.396 2.012 20 70 CEIDMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217033764 153297941 /nfs/dbraw/zinc/29/79/41/153297941.db2.gz LUQDWTCTWKUPPZ-HOTGVXAUSA-N 2 1 295.471 2.003 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161468689 527399183 /nfs/dbraw/zinc/39/91/83/527399183.db2.gz XOSJOOVBBGGPEU-ZDUSSCGKSA-N 2 1 265.401 2.471 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161468689 527399185 /nfs/dbraw/zinc/39/91/85/527399185.db2.gz XOSJOOVBBGGPEU-ZDUSSCGKSA-N 2 1 265.401 2.471 20 70 CEIDMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000159450364 366914404 /nfs/dbraw/zinc/91/44/04/366914404.db2.gz FWVQNWFNFFNFGX-KGLIPLIRSA-N 2 1 299.459 2.316 20 70 CEIDMP C[N@H+](CCNc1cc[nH+]cc1Br)C1CC1 ZINC000159842520 366953804 /nfs/dbraw/zinc/95/38/04/366953804.db2.gz FZWAHAAHQYHFES-UHFFFAOYSA-N 2 1 270.174 2.350 20 70 CEIDMP C[N@@H+](CCNc1cc[nH+]cc1Br)C1CC1 ZINC000159842520 366953808 /nfs/dbraw/zinc/95/38/08/366953808.db2.gz FZWAHAAHQYHFES-UHFFFAOYSA-N 2 1 270.174 2.350 20 70 CEIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000160114803 366974797 /nfs/dbraw/zinc/97/47/97/366974797.db2.gz CWXOYTGGCPBQKK-OAHLLOKOSA-N 2 1 290.455 2.370 20 70 CEIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000160114803 366974799 /nfs/dbraw/zinc/97/47/99/366974799.db2.gz CWXOYTGGCPBQKK-OAHLLOKOSA-N 2 1 290.455 2.370 20 70 CEIDMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000217953419 279350843 /nfs/dbraw/zinc/35/08/43/279350843.db2.gz ZUDLNWMISOZCCK-QKPAOTATSA-N 2 1 267.461 2.037 20 70 CEIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000217953419 279350846 /nfs/dbraw/zinc/35/08/46/279350846.db2.gz ZUDLNWMISOZCCK-QKPAOTATSA-N 3 1 267.461 2.037 20 70 CEIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000217953419 279350848 /nfs/dbraw/zinc/35/08/48/279350848.db2.gz ZUDLNWMISOZCCK-QKPAOTATSA-N 3 1 267.461 2.037 20 70 CEIDMP CCC[NH+]1CCC(NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000161157829 540733306 /nfs/dbraw/zinc/73/33/06/540733306.db2.gz IWOVIGSAXXUDND-MRXNPFEDSA-N 2 1 267.461 2.325 20 70 CEIDMP CC[C@@H](O)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161190752 249319894 /nfs/dbraw/zinc/31/98/94/249319894.db2.gz TVEMGJZVWGDMPV-HZPDHXFCSA-N 2 1 268.445 2.488 20 70 CEIDMP C[N@@H+](CCn1ccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862134 162317230 /nfs/dbraw/zinc/31/72/30/162317230.db2.gz MOIHXYPXVSMNEZ-SFHVURJKSA-N 2 1 298.434 2.337 20 70 CEIDMP C[N@H+](CCn1ccnc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159862134 162317234 /nfs/dbraw/zinc/31/72/34/162317234.db2.gz MOIHXYPXVSMNEZ-SFHVURJKSA-N 3 1 298.434 2.337 20 70 CEIDMP C[N@@H+](CCn1ccnc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159862134 162317235 /nfs/dbraw/zinc/31/72/35/162317235.db2.gz MOIHXYPXVSMNEZ-SFHVURJKSA-N 3 1 298.434 2.337 20 70 CEIDMP CC(=O)NC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000161351479 277025224 /nfs/dbraw/zinc/02/52/24/277025224.db2.gz QHNZEFBPZUKICW-HOBHPSKFSA-N 2 1 295.471 2.144 20 70 CEIDMP CC(=O)NC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000161351479 277025225 /nfs/dbraw/zinc/02/52/25/277025225.db2.gz QHNZEFBPZUKICW-HOBHPSKFSA-N 2 1 295.471 2.144 20 70 CEIDMP CC(=O)NC1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000161268613 278088432 /nfs/dbraw/zinc/08/84/32/278088432.db2.gz NKUGTRJDFABFTH-OFLPRAFFSA-N 2 1 295.471 2.144 20 70 CEIDMP CC(=O)NC1CCC([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000161370545 519645417 /nfs/dbraw/zinc/64/54/17/519645417.db2.gz XDYTWFHUCFACRH-UHFFFAOYSA-N 2 1 295.471 2.288 20 70 CEIDMP CC(=O)NC1CCC([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000161370545 519645421 /nfs/dbraw/zinc/64/54/21/519645421.db2.gz XDYTWFHUCFACRH-UHFFFAOYSA-N 2 1 295.471 2.288 20 70 CEIDMP C[N@H+](CCC[NH+]1CCCCC1)CCc1ccccn1 ZINC000161464201 367088963 /nfs/dbraw/zinc/08/89/63/367088963.db2.gz YLCLUJGPDLGNFT-UHFFFAOYSA-N 2 1 261.413 2.432 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccn1 ZINC000161464201 367088965 /nfs/dbraw/zinc/08/89/65/367088965.db2.gz YLCLUJGPDLGNFT-UHFFFAOYSA-N 2 1 261.413 2.432 20 70 CEIDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000217914700 153297975 /nfs/dbraw/zinc/29/79/75/153297975.db2.gz BNNXKPPRONOEMN-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000217914700 153297979 /nfs/dbraw/zinc/29/79/79/153297979.db2.gz BNNXKPPRONOEMN-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1O ZINC000217914700 153297982 /nfs/dbraw/zinc/29/79/82/153297982.db2.gz BNNXKPPRONOEMN-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1O ZINC000217914700 153297989 /nfs/dbraw/zinc/29/79/89/153297989.db2.gz BNNXKPPRONOEMN-LSDHHAIUSA-N 2 1 290.407 2.317 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H](CO)C(C)(C)C ZINC000161445081 522748423 /nfs/dbraw/zinc/74/84/23/522748423.db2.gz KFPJMOGBJWHVFQ-AWEZNQCLSA-N 2 1 256.434 2.201 20 70 CEIDMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000160082446 366971856 /nfs/dbraw/zinc/97/18/56/366971856.db2.gz VAMZLGNWBVMOFZ-SOUVJXGZSA-N 2 1 255.450 2.037 20 70 CEIDMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000160082446 366971860 /nfs/dbraw/zinc/97/18/60/366971860.db2.gz VAMZLGNWBVMOFZ-SOUVJXGZSA-N 2 1 255.450 2.037 20 70 CEIDMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000160082446 366971864 /nfs/dbraw/zinc/97/18/64/366971864.db2.gz VAMZLGNWBVMOFZ-SOUVJXGZSA-N 2 1 255.450 2.037 20 70 CEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000160737120 296122010 /nfs/dbraw/zinc/12/20/10/296122010.db2.gz KEWAQEFQCDQPFJ-CZUORRHYSA-N 2 1 295.402 2.108 20 70 CEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000160746915 395061572 /nfs/dbraw/zinc/06/15/72/395061572.db2.gz WQCFHBCZVXHHJK-GDBMZVCRSA-N 2 1 268.445 2.392 20 70 CEIDMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161190540 395063737 /nfs/dbraw/zinc/06/37/37/395063737.db2.gz TVEMGJZVWGDMPV-JKSUJKDBSA-N 2 1 268.445 2.488 20 70 CEIDMP OCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000161487105 540138856 /nfs/dbraw/zinc/13/88/56/540138856.db2.gz NVUNBESGJUCKGZ-UHFFFAOYSA-N 2 1 266.429 2.146 20 70 CEIDMP CO[C@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H](CN)C1 ZINC000161004586 367047654 /nfs/dbraw/zinc/04/76/54/367047654.db2.gz JXZPFSOSXDNLGS-CABCVRRESA-N 2 1 262.397 2.242 20 70 CEIDMP CO[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H](C[NH3+])C1 ZINC000161004586 367047660 /nfs/dbraw/zinc/04/76/60/367047660.db2.gz JXZPFSOSXDNLGS-CABCVRRESA-N 2 1 262.397 2.242 20 70 CEIDMP CO[C@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H](C[NH3+])C1 ZINC000161004586 367047666 /nfs/dbraw/zinc/04/76/66/367047666.db2.gz JXZPFSOSXDNLGS-CABCVRRESA-N 2 1 262.397 2.242 20 70 CEIDMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000161113099 367058147 /nfs/dbraw/zinc/05/81/47/367058147.db2.gz WONMZPXSPGHKGK-GXTWGEPZSA-N 2 1 276.380 2.030 20 70 CEIDMP C[C@@H]1C[C@H](N(C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405323 533894915 /nfs/dbraw/zinc/89/49/15/533894915.db2.gz GDDSXDNJBVGLCG-HZPDHXFCSA-N 2 1 267.461 2.277 20 70 CEIDMP CCC[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161081954 519851604 /nfs/dbraw/zinc/85/16/04/519851604.db2.gz HRFRAKYTMGLHHZ-UHFFFAOYSA-N 2 1 267.461 2.280 20 70 CEIDMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000160914959 524683601 /nfs/dbraw/zinc/68/36/01/524683601.db2.gz GQLUAPDCEWGXDY-CQSZACIVSA-N 2 1 285.395 2.058 20 70 CEIDMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)[nH+]1 ZINC000160914959 524683612 /nfs/dbraw/zinc/68/36/12/524683612.db2.gz GQLUAPDCEWGXDY-CQSZACIVSA-N 2 1 285.395 2.058 20 70 CEIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C(C1CC1)C1CC1 ZINC000160684362 367027089 /nfs/dbraw/zinc/02/70/89/367027089.db2.gz XAMMMDNVWNUMIA-OAHLLOKOSA-N 2 1 266.429 2.002 20 70 CEIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000161492461 367090504 /nfs/dbraw/zinc/09/05/04/367090504.db2.gz TWDPCBGPPNSGOI-BLVKFPJESA-N 2 1 280.437 2.169 20 70 CEIDMP CCCNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161352614 519867116 /nfs/dbraw/zinc/86/71/16/519867116.db2.gz GCFIMZLYLQNUNL-UHFFFAOYSA-N 2 1 295.471 2.101 20 70 CEIDMP C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000159729790 366943069 /nfs/dbraw/zinc/94/30/69/366943069.db2.gz JESUVUWQXUVPLW-KGLIPLIRSA-N 2 1 268.445 2.390 20 70 CEIDMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159460731 366916912 /nfs/dbraw/zinc/91/69/12/366916912.db2.gz KFYLKAQMRSVJQR-KBPBESRZSA-N 2 1 299.459 2.173 20 70 CEIDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000161113035 367057532 /nfs/dbraw/zinc/05/75/32/367057532.db2.gz WONMZPXSPGHKGK-TZMCWYRMSA-N 2 1 276.380 2.030 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000161450615 527393406 /nfs/dbraw/zinc/39/34/06/527393406.db2.gz UCNXLJBOOUIAFQ-HNNXBMFYSA-N 2 1 265.401 2.473 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000161450615 527393410 /nfs/dbraw/zinc/39/34/10/527393410.db2.gz UCNXLJBOOUIAFQ-HNNXBMFYSA-N 2 1 265.401 2.473 20 70 CEIDMP C[N@H+](Cc1cnc2ccccn12)CC1CC[NH+](C)CC1 ZINC000159809181 540432122 /nfs/dbraw/zinc/43/21/22/540432122.db2.gz SVMKPVSXAXWTOQ-UHFFFAOYSA-N 2 1 272.396 2.108 20 70 CEIDMP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@H+]1C ZINC000159885677 366955811 /nfs/dbraw/zinc/95/58/11/366955811.db2.gz VSTFKXBIMRRAJR-UBHSHLNASA-N 2 1 268.426 2.028 20 70 CEIDMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H](C)C1 ZINC000160781763 521721240 /nfs/dbraw/zinc/72/12/40/521721240.db2.gz ZATVEOFZUQRRRJ-KGLIPLIRSA-N 2 1 294.443 2.446 20 70 CEIDMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000160865069 524502241 /nfs/dbraw/zinc/50/22/41/524502241.db2.gz BEGRWMVXLOKARU-NUJGCVRESA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000160865069 524502246 /nfs/dbraw/zinc/50/22/46/524502246.db2.gz BEGRWMVXLOKARU-NUJGCVRESA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000160865069 524502253 /nfs/dbraw/zinc/50/22/53/524502253.db2.gz BEGRWMVXLOKARU-NUJGCVRESA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160865069 524502261 /nfs/dbraw/zinc/50/22/61/524502261.db2.gz BEGRWMVXLOKARU-NUJGCVRESA-N 2 1 289.467 2.437 20 70 CEIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160865069 524502263 /nfs/dbraw/zinc/50/22/63/524502263.db2.gz BEGRWMVXLOKARU-NUJGCVRESA-N 2 1 289.467 2.437 20 70 CEIDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCOC1 ZINC000161020789 367049959 /nfs/dbraw/zinc/04/99/59/367049959.db2.gz JWDPUZDMTPNBSQ-HNNXBMFYSA-N 2 1 254.418 2.221 20 70 CEIDMP CC(=O)NC1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000161030505 367051435 /nfs/dbraw/zinc/05/14/35/367051435.db2.gz MXVHSKVAOYSHFN-UHFFFAOYSA-N 2 1 292.427 2.009 20 70 CEIDMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)[C@H](C)C1 ZINC000161460832 367088983 /nfs/dbraw/zinc/08/89/83/367088983.db2.gz LLMOIWCJJONFQX-HYVNUMGLSA-N 2 1 276.424 2.082 20 70 CEIDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217642572 370199006 /nfs/dbraw/zinc/19/90/06/370199006.db2.gz KPJUCXOYCLFQQN-CVEARBPZSA-N 2 1 260.381 2.412 20 70 CEIDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217642572 370199012 /nfs/dbraw/zinc/19/90/12/370199012.db2.gz KPJUCXOYCLFQQN-CVEARBPZSA-N 2 1 260.381 2.412 20 70 CEIDMP CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011889 522949551 /nfs/dbraw/zinc/94/95/51/522949551.db2.gz DRAXVEGLKLNXQP-SOUVJXGZSA-N 2 1 264.417 2.334 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCSCC1 ZINC000161490833 527396644 /nfs/dbraw/zinc/39/66/44/527396644.db2.gz GYMUMOGVBNDCBH-UHFFFAOYSA-N 2 1 253.415 2.411 20 70 CEIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCCSCC1 ZINC000161490833 527396649 /nfs/dbraw/zinc/39/66/49/527396649.db2.gz GYMUMOGVBNDCBH-UHFFFAOYSA-N 2 1 253.415 2.411 20 70 CEIDMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000161179034 367065497 /nfs/dbraw/zinc/06/54/97/367065497.db2.gz IKWUCPLOIXVBOY-CAOSSQGBSA-N 2 1 267.461 2.179 20 70 CEIDMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000161179034 367065501 /nfs/dbraw/zinc/06/55/01/367065501.db2.gz IKWUCPLOIXVBOY-CAOSSQGBSA-N 2 1 267.461 2.179 20 70 CEIDMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000161179034 367065505 /nfs/dbraw/zinc/06/55/05/367065505.db2.gz IKWUCPLOIXVBOY-CAOSSQGBSA-N 2 1 267.461 2.179 20 70 CEIDMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000161179034 367065509 /nfs/dbraw/zinc/06/55/09/367065509.db2.gz IKWUCPLOIXVBOY-CAOSSQGBSA-N 2 1 267.461 2.179 20 70 CEIDMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000161179034 367065512 /nfs/dbraw/zinc/06/55/12/367065512.db2.gz IKWUCPLOIXVBOY-CAOSSQGBSA-N 2 1 267.461 2.179 20 70 CEIDMP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161324806 367078923 /nfs/dbraw/zinc/07/89/23/367078923.db2.gz MSFJKGDBHNEMAK-CABCVRRESA-N 2 1 262.397 2.446 20 70 CEIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217891097 370203286 /nfs/dbraw/zinc/20/32/86/370203286.db2.gz OBOPRZTXYTUNJO-OAHLLOKOSA-N 3 1 290.455 2.370 20 70 CEIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217891097 370203288 /nfs/dbraw/zinc/20/32/88/370203288.db2.gz OBOPRZTXYTUNJO-OAHLLOKOSA-N 3 1 290.455 2.370 20 70 CEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000160746787 395062030 /nfs/dbraw/zinc/06/20/30/395062030.db2.gz WQCFHBCZVXHHJK-GOEBONIOSA-N 2 1 268.445 2.392 20 70 CEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000160739194 395062113 /nfs/dbraw/zinc/06/21/13/395062113.db2.gz KGUDYOBYSOFUJP-UONOGXRCSA-N 2 1 256.434 2.248 20 70 CEIDMP CCSCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000159957116 529179660 /nfs/dbraw/zinc/17/96/60/529179660.db2.gz GHRGOGXIVVJVQT-IYBDPMFKSA-N 2 1 299.528 2.230 20 70 CEIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000160114891 366974932 /nfs/dbraw/zinc/97/49/32/366974932.db2.gz CWXOYTGGCPBQKK-HNNXBMFYSA-N 2 1 290.455 2.370 20 70 CEIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000160114891 366974936 /nfs/dbraw/zinc/97/49/36/366974936.db2.gz CWXOYTGGCPBQKK-HNNXBMFYSA-N 2 1 290.455 2.370 20 70 CEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cncs1 ZINC000160694421 395062098 /nfs/dbraw/zinc/06/20/98/395062098.db2.gz LWJWEDHJPBLLSR-QWHCGFSZSA-N 2 1 283.441 2.031 20 70 CEIDMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc2c1OCO2 ZINC000159983961 162320336 /nfs/dbraw/zinc/32/03/36/162320336.db2.gz WDELEJUQKFLIGU-ZDUSSCGKSA-N 2 1 292.379 2.127 20 70 CEIDMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc2c1OCO2 ZINC000159983961 162320340 /nfs/dbraw/zinc/32/03/40/162320340.db2.gz WDELEJUQKFLIGU-ZDUSSCGKSA-N 2 1 292.379 2.127 20 70 CEIDMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@H+]1C ZINC000159885526 366956836 /nfs/dbraw/zinc/95/68/36/366956836.db2.gz VSTFKXBIMRRAJR-XBFCOCLRSA-N 2 1 268.426 2.028 20 70 CEIDMP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC[N@H+]1C ZINC000159885368 366956030 /nfs/dbraw/zinc/95/60/30/366956030.db2.gz VSTFKXBIMRRAJR-YUTCNCBUSA-N 2 1 268.426 2.028 20 70 CEIDMP C[C@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000160266175 366987239 /nfs/dbraw/zinc/98/72/39/366987239.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 2 1 267.461 2.181 20 70 CEIDMP C[C@H]1C[NH+](C)CC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000160266175 366987246 /nfs/dbraw/zinc/98/72/46/366987246.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 2 1 267.461 2.181 20 70 CEIDMP C[C@H]1C[NH+](C)CC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000160266175 366987252 /nfs/dbraw/zinc/98/72/52/366987252.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 2 1 267.461 2.181 20 70 CEIDMP CC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160478671 367008841 /nfs/dbraw/zinc/00/88/41/367008841.db2.gz HCGAXJFQFKCWQL-CQSZACIVSA-N 2 1 262.397 2.407 20 70 CEIDMP c1cn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000159806421 162317194 /nfs/dbraw/zinc/31/71/94/162317194.db2.gz QIEPOAIKAZXQNU-KRWDZBQOSA-N 2 1 290.455 2.471 20 70 CEIDMP c1cn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000159806421 162317196 /nfs/dbraw/zinc/31/71/96/162317196.db2.gz QIEPOAIKAZXQNU-KRWDZBQOSA-N 2 1 290.455 2.471 20 70 CEIDMP CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160671623 521819840 /nfs/dbraw/zinc/81/98/40/521819840.db2.gz JJAUTCRPKDANLL-RRFJBIMHSA-N 2 1 256.434 2.248 20 70 CEIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000161492207 367090313 /nfs/dbraw/zinc/09/03/13/367090313.db2.gz TWDPCBGPPNSGOI-CWTRNNRKSA-N 2 1 280.437 2.169 20 70 CEIDMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217720558 370200548 /nfs/dbraw/zinc/20/05/48/370200548.db2.gz SZRKUXXFDHFDAK-UHFFFAOYSA-N 3 1 290.455 2.372 20 70 CEIDMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217720558 370200551 /nfs/dbraw/zinc/20/05/51/370200551.db2.gz SZRKUXXFDHFDAK-UHFFFAOYSA-N 3 1 290.455 2.372 20 70 CEIDMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000161462574 519645131 /nfs/dbraw/zinc/64/51/31/519645131.db2.gz URFFUPICFHMYIX-GTPINHCMSA-N 2 1 295.471 2.144 20 70 CEIDMP c1cc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000161419995 526436606 /nfs/dbraw/zinc/43/66/06/526436606.db2.gz OIWJCJDULRSKNJ-QGZVFWFLSA-N 2 1 289.423 2.411 20 70 CEIDMP c1cc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000161419995 526436610 /nfs/dbraw/zinc/43/66/10/526436610.db2.gz OIWJCJDULRSKNJ-QGZVFWFLSA-N 2 1 289.423 2.411 20 70 CEIDMP CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160611557 367022412 /nfs/dbraw/zinc/02/24/12/367022412.db2.gz JYZNPISGMXTSNL-CQSZACIVSA-N 2 1 262.397 2.407 20 70 CEIDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217642651 370198028 /nfs/dbraw/zinc/19/80/28/370198028.db2.gz KPJUCXOYCLFQQN-HOTGVXAUSA-N 2 1 260.381 2.412 20 70 CEIDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217642651 370198032 /nfs/dbraw/zinc/19/80/32/370198032.db2.gz KPJUCXOYCLFQQN-HOTGVXAUSA-N 2 1 260.381 2.412 20 70 CEIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000160739333 395061590 /nfs/dbraw/zinc/06/15/90/395061590.db2.gz KGUDYOBYSOFUJP-ZIAGYGMSSA-N 2 1 256.434 2.248 20 70 CEIDMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217028976 153295785 /nfs/dbraw/zinc/29/57/85/153295785.db2.gz UAVVNCFIZYJOJY-GJZGRUSLSA-N 2 1 295.471 2.003 20 70 CEIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000161492101 367090765 /nfs/dbraw/zinc/09/07/65/367090765.db2.gz TWDPCBGPPNSGOI-HXPMCKFVSA-N 2 1 280.437 2.169 20 70 CEIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cncc(F)c1 ZINC000160736964 395061518 /nfs/dbraw/zinc/06/15/18/395061518.db2.gz KEWAQEFQCDQPFJ-XJKSGUPXSA-N 2 1 295.402 2.108 20 70 CEIDMP