smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nccc1C[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC001506405523 937989546 /nfs/dbraw/zinc/98/95/46/937989546.db2.gz FQNPFNWDPNHJIN-INIZCTEOSA-N 1 1 273.355 3.286 50 0 CGAAMO Cn1nccc1C[N@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC001506405523 937989547 /nfs/dbraw/zinc/98/95/47/937989547.db2.gz FQNPFNWDPNHJIN-INIZCTEOSA-N 1 1 273.355 3.286 50 0 CGAAMO Cc1cc(N2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)nc2ccccc12 ZINC001506403971 937989575 /nfs/dbraw/zinc/98/95/75/937989575.db2.gz QEWXHOLPNYMNOH-HOTGVXAUSA-N 1 1 295.430 3.464 50 0 CGAAMO CCC[N@@H+](Cc1cnc(C)cn1)C1Cc2ccccc2C1 ZINC001506418198 937989935 /nfs/dbraw/zinc/98/99/35/937989935.db2.gz FNAHHNUBVKLGQK-UHFFFAOYSA-N 1 1 281.403 3.164 50 0 CGAAMO Cc1ccc(SCCC[N@H+](C)Cc2cnn(C)c2)cc1 ZINC001506421587 937990057 /nfs/dbraw/zinc/99/00/57/937990057.db2.gz QZUMNHQRKGPXBG-UHFFFAOYSA-N 1 1 289.448 3.343 50 0 CGAAMO CCCc1cc(N[C@H]2CCC[N@H+](CCC)C2)nc(C)n1 ZINC001506425950 937990217 /nfs/dbraw/zinc/99/02/17/937990217.db2.gz STYFCZMDTGKDAB-HNNXBMFYSA-N 1 1 276.428 3.024 50 0 CGAAMO Cc1c[nH+]c(NC[C@H]2CC23CCCCC3)nc1N(C)C ZINC001529162143 938071417 /nfs/dbraw/zinc/07/14/17/938071417.db2.gz XMJKVPIVTTYEML-CYBMUJFWSA-N 1 1 274.412 3.233 50 0 CGAAMO CCCO[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC001529191932 938071660 /nfs/dbraw/zinc/07/16/60/938071660.db2.gz KABQEKGPZTVNLN-KRWDZBQOSA-N 1 1 295.398 3.486 50 0 CGAAMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCCn1cncn1 ZINC000095962573 185045045 /nfs/dbraw/zinc/04/50/45/185045045.db2.gz HDFJBFKUDRGSLZ-OAGGEKHMSA-N 1 1 276.428 3.101 50 0 CGAAMO CCc1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2)on1 ZINC000095968379 185046209 /nfs/dbraw/zinc/04/62/09/185046209.db2.gz IGNSWHXPPNASIZ-NSHDSACASA-N 1 1 260.337 3.096 50 0 CGAAMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc(Br)c1 ZINC000095995358 185060439 /nfs/dbraw/zinc/06/04/39/185060439.db2.gz QCZPHPVHKVDDBE-CYBMUJFWSA-N 1 1 298.224 3.184 50 0 CGAAMO c1ccc(-c2ccc3c(c2)CCO3)c(C[NH+]2CCOCC2)c1 ZINC000096132906 185104918 /nfs/dbraw/zinc/10/49/18/185104918.db2.gz HTLBQQVRFUBSQD-UHFFFAOYSA-N 1 1 295.382 3.121 50 0 CGAAMO Cc1nnc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)o1 ZINC000071915692 282315553 /nfs/dbraw/zinc/31/55/53/282315553.db2.gz IYQYYFKQYKNWLU-OCCSQVGLSA-N 1 1 271.364 3.064 50 0 CGAAMO CSc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)cc1 ZINC000022078233 344894207 /nfs/dbraw/zinc/89/42/07/344894207.db2.gz PDAYATZXUZFRMY-XJKSGUPXSA-N 1 1 276.449 3.077 50 0 CGAAMO CC(C)c1cccc(OCCCCC[NH+]2CCNCC2)c1 ZINC000034870395 344941301 /nfs/dbraw/zinc/94/13/01/344941301.db2.gz GRFUJHJXZBKRJK-UHFFFAOYSA-N 1 1 290.451 3.264 50 0 CGAAMO CSc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)cc1 ZINC000043164430 344995303 /nfs/dbraw/zinc/99/53/03/344995303.db2.gz PDAYATZXUZFRMY-CJNGLKHVSA-N 1 1 276.449 3.077 50 0 CGAAMO CN(C)CC[N@H+](C)Cc1ccccc1Cc1ccccc1 ZINC000075373214 345504703 /nfs/dbraw/zinc/50/47/03/345504703.db2.gz BOMNLPSALZVXTF-UHFFFAOYSA-N 1 1 282.431 3.271 50 0 CGAAMO CN(C)CC[N@@H+](C)Cc1ccccc1Cc1ccccc1 ZINC000075373214 345504707 /nfs/dbraw/zinc/50/47/07/345504707.db2.gz BOMNLPSALZVXTF-UHFFFAOYSA-N 1 1 282.431 3.271 50 0 CGAAMO C[C@H](C1CC1)[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000076192491 345538438 /nfs/dbraw/zinc/53/84/38/345538438.db2.gz AWTYOSFWYWEANL-YGRLFVJLSA-N 1 1 253.773 3.104 50 0 CGAAMO Cc1cccc([C@@H](C)[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083424644 345726209 /nfs/dbraw/zinc/72/62/09/345726209.db2.gz XPKOYNFVAWXLOJ-CYBMUJFWSA-N 1 1 270.380 3.054 50 0 CGAAMO Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000584889131 346722443 /nfs/dbraw/zinc/72/24/43/346722443.db2.gz QXGNBWOJMUFOSS-JTQLQIEISA-N 1 1 287.329 3.426 50 0 CGAAMO COCCC[C@@]1(CO)CCC[N@H+](C2CCCCCC2)C1 ZINC000091255486 180114922 /nfs/dbraw/zinc/11/49/22/180114922.db2.gz MNLFLHGLDHQHKL-KRWDZBQOSA-N 1 1 283.456 3.210 50 0 CGAAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)Cc1c(C)noc1C ZINC000110642467 186308306 /nfs/dbraw/zinc/30/83/06/186308306.db2.gz CPKVBTLGXYSVEX-QWHCGFSZSA-N 1 1 254.399 3.007 50 0 CGAAMO C[C@H](c1nc(-c2ccsn2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000297161498 200102159 /nfs/dbraw/zinc/10/21/59/200102159.db2.gz CUVLBEHHUBOABO-KXUCPTDWSA-N 1 1 278.381 3.127 50 0 CGAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000000052775 368278523 /nfs/dbraw/zinc/27/85/23/368278523.db2.gz OCFLFQDQCLZABG-IIAWOOMASA-N 1 1 275.392 3.351 50 0 CGAAMO COc1cccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000000176488 368309834 /nfs/dbraw/zinc/30/98/34/368309834.db2.gz QFJXJGIGYUGIJX-OKILXGFUSA-N 1 1 290.407 3.002 50 0 CGAAMO CSc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000000183244 368310523 /nfs/dbraw/zinc/31/05/23/368310523.db2.gz ULZXYSVZJNDDQX-UHFFFAOYSA-N 1 1 287.428 3.403 50 0 CGAAMO OC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000757534 368393868 /nfs/dbraw/zinc/39/38/68/368393868.db2.gz PSAWACGHKYGRPI-SNVBAGLBSA-N 1 1 274.191 3.198 50 0 CGAAMO OC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000757534 368393872 /nfs/dbraw/zinc/39/38/72/368393872.db2.gz PSAWACGHKYGRPI-SNVBAGLBSA-N 1 1 274.191 3.198 50 0 CGAAMO CC1=C(CC[N@H+]2CCC[C@H](O)C2)C(C)(C)CCC1 ZINC000000757240 368393963 /nfs/dbraw/zinc/39/39/63/368393963.db2.gz LZMIRIAFOMPJGM-AWEZNQCLSA-N 1 1 251.414 3.360 50 0 CGAAMO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCN(C)C ZINC000002406685 368454769 /nfs/dbraw/zinc/45/47/69/368454769.db2.gz ABYBKVTTZUTOKN-QGZVFWFLSA-N 1 1 285.435 3.395 50 0 CGAAMO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCC[NH+](C)C ZINC000002406685 368454781 /nfs/dbraw/zinc/45/47/81/368454781.db2.gz ABYBKVTTZUTOKN-QGZVFWFLSA-N 1 1 285.435 3.395 50 0 CGAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OC ZINC000004488579 368547535 /nfs/dbraw/zinc/54/75/35/368547535.db2.gz LGAALGLIWDGJSE-UHFFFAOYSA-N 1 1 281.739 3.240 50 0 CGAAMO COCc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)o1 ZINC000011968614 368601512 /nfs/dbraw/zinc/60/15/12/368601512.db2.gz DSFRVLAARAKDSS-CYBMUJFWSA-N 1 1 287.359 3.209 50 0 CGAAMO COCc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)o1 ZINC000011968614 368601514 /nfs/dbraw/zinc/60/15/14/368601514.db2.gz DSFRVLAARAKDSS-CYBMUJFWSA-N 1 1 287.359 3.209 50 0 CGAAMO O=C(Nc1ccccc1)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013118650 368644026 /nfs/dbraw/zinc/64/40/26/368644026.db2.gz OVSLXLJKOJXULE-ZBFHGGJFSA-N 1 1 288.391 3.500 50 0 CGAAMO Cc1cc(OCCCN2CC[NH+](C)CC2)cc(C(C)C)c1 ZINC000020118730 368804239 /nfs/dbraw/zinc/80/42/39/368804239.db2.gz HOLIXGUAGMUISS-UHFFFAOYSA-N 1 1 290.451 3.135 50 0 CGAAMO C[C@@H]1C[NH+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000023280003 368819049 /nfs/dbraw/zinc/81/90/49/368819049.db2.gz HBQXALIEXUSUCT-GHMZBOCLSA-N 1 1 289.297 3.194 50 0 CGAAMO c1cnn(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000024574401 368833245 /nfs/dbraw/zinc/83/32/45/368833245.db2.gz IZWOSEWXUDAYDH-UHFFFAOYSA-N 1 1 289.382 3.431 50 0 CGAAMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000034303945 368973690 /nfs/dbraw/zinc/97/36/90/368973690.db2.gz WKQDMNDNLBVMJY-LJQANCHMSA-N 1 1 295.382 3.003 50 0 CGAAMO CSC[C@H](C)[N@H+]1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000032523718 368934023 /nfs/dbraw/zinc/93/40/23/368934023.db2.gz CZDBRLYWNRXTNG-DZGCQCFKSA-N 1 1 277.433 3.333 50 0 CGAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097231 369008792 /nfs/dbraw/zinc/00/87/92/369008792.db2.gz IFAMTNLASXFDKY-OAHLLOKOSA-N 1 1 295.423 3.077 50 0 CGAAMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)C(C)C)c1 ZINC000036100389 369009184 /nfs/dbraw/zinc/00/91/84/369009184.db2.gz BIBXVSNZFXEAHA-KRWDZBQOSA-N 1 1 263.425 3.470 50 0 CGAAMO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000036383311 369019966 /nfs/dbraw/zinc/01/99/66/369019966.db2.gz MJEADNLRSYFUMN-VIFPVBQESA-N 1 1 288.096 3.006 50 0 CGAAMO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](O)C1 ZINC000042465288 369223045 /nfs/dbraw/zinc/22/30/45/369223045.db2.gz RQZYSOXLIQYOMC-FZMZJTMJSA-N 1 1 287.325 3.093 50 0 CGAAMO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1cnc(OC)nc1 ZINC000055183288 369513632 /nfs/dbraw/zinc/51/36/32/369513632.db2.gz RPZQFOHPTQOLQX-LBPRGKRZSA-N 1 1 291.420 3.347 50 0 CGAAMO CCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000059368217 369581054 /nfs/dbraw/zinc/58/10/54/369581054.db2.gz SLMZKNUUONFGAE-HNNXBMFYSA-N 1 1 271.364 3.278 50 0 CGAAMO CCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000059368217 369581055 /nfs/dbraw/zinc/58/10/55/369581055.db2.gz SLMZKNUUONFGAE-HNNXBMFYSA-N 1 1 271.364 3.278 50 0 CGAAMO Cc1ccc(-c2ccc(-c3cc[nH]n3)cc2)c(N)[nH+]1 ZINC000065399150 369672109 /nfs/dbraw/zinc/67/21/09/369672109.db2.gz WAXYJLMSORBZGD-UHFFFAOYSA-N 1 1 250.305 3.029 50 0 CGAAMO Cc1cnccc1C[N@@H+](C)Cc1cccn1-c1cccnc1 ZINC000065431949 369675226 /nfs/dbraw/zinc/67/52/26/369675226.db2.gz QWUZEUNWDCBVSL-UHFFFAOYSA-N 1 1 292.386 3.208 50 0 CGAAMO C[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1cccs1 ZINC000065421575 369675259 /nfs/dbraw/zinc/67/52/59/369675259.db2.gz QLPFDPQDJQECNS-AWEZNQCLSA-N 1 1 272.417 3.459 50 0 CGAAMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C3CC3)c2C1 ZINC000065490466 369679561 /nfs/dbraw/zinc/67/95/61/369679561.db2.gz NIVKLIPKZCMSFW-LBPRGKRZSA-N 1 1 272.392 3.395 50 0 CGAAMO C[C@H]1C[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C(=O)O1 ZINC000066606977 369697526 /nfs/dbraw/zinc/69/75/26/369697526.db2.gz VNMNEWULZQHVEF-YVEFUNNKSA-N 1 1 298.386 3.051 50 0 CGAAMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000066853038 369706774 /nfs/dbraw/zinc/70/67/74/369706774.db2.gz XUXSMRDLORYVNB-PVAVHDDUSA-N 1 1 275.392 3.018 50 0 CGAAMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCCO1 ZINC000066853038 369706780 /nfs/dbraw/zinc/70/67/80/369706780.db2.gz XUXSMRDLORYVNB-PVAVHDDUSA-N 1 1 275.392 3.018 50 0 CGAAMO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000069323679 369756266 /nfs/dbraw/zinc/75/62/66/369756266.db2.gz XDNNIWXDSXTOIX-CQSZACIVSA-N 1 1 257.337 3.024 50 0 CGAAMO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)o1 ZINC000069323679 369756269 /nfs/dbraw/zinc/75/62/69/369756269.db2.gz XDNNIWXDSXTOIX-CQSZACIVSA-N 1 1 257.337 3.024 50 0 CGAAMO C[C@H](O)c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000067833919 369732280 /nfs/dbraw/zinc/73/22/80/369732280.db2.gz GUZFCSFKXAYADU-HNNXBMFYSA-N 1 1 297.398 3.239 50 0 CGAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000067894763 369735671 /nfs/dbraw/zinc/73/56/71/369735671.db2.gz SWJOLOJJQABUGF-CYBMUJFWSA-N 1 1 296.374 3.239 50 0 CGAAMO Cc1ccccc1[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000072429423 369820735 /nfs/dbraw/zinc/82/07/35/369820735.db2.gz MNEYRZZBKFQNMG-INIZCTEOSA-N 1 1 269.392 3.108 50 0 CGAAMO Cn1cc[nH+]c1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000075271938 369899501 /nfs/dbraw/zinc/89/95/01/369899501.db2.gz BPZQBECBXOWLEV-LLVKDONJSA-N 1 1 271.147 3.003 50 0 CGAAMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)C1 ZINC000075921283 369922010 /nfs/dbraw/zinc/92/20/10/369922010.db2.gz ZKWKUCCKOHWCBC-NEPJUHHUSA-N 1 1 270.829 3.451 50 0 CGAAMO CCc1ccc([C@@H](O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000088203209 370031491 /nfs/dbraw/zinc/03/14/91/370031491.db2.gz XGXOLZMGKAHSJJ-IBGZPJMESA-N 1 1 283.415 3.457 50 0 CGAAMO CC[N@@H+](CC1CCOCC1)[C@@H](C)c1cccc(O)c1 ZINC000080932218 369992018 /nfs/dbraw/zinc/99/20/18/369992018.db2.gz ZCSGTTHJRTYDEJ-ZDUSSCGKSA-N 1 1 263.381 3.202 50 0 CGAAMO CCC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1nnc2ccccn21 ZINC000092746549 370100001 /nfs/dbraw/zinc/10/00/01/370100001.db2.gz SDAKEOVIRMCOAD-DZGCQCFKSA-N 1 1 295.390 3.316 50 0 CGAAMO C[C@@H](C[N@@H+](C)Cc1ccc(CO)o1)c1ccccc1 ZINC000093008971 370105240 /nfs/dbraw/zinc/10/52/40/370105240.db2.gz XLIUZENKDPCIRR-ZDUSSCGKSA-N 1 1 259.349 3.007 50 0 CGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1)C2 ZINC000095380866 370180306 /nfs/dbraw/zinc/18/03/06/370180306.db2.gz SAXFQEZOSCSOSZ-GDBMZVCRSA-N 1 1 287.407 3.025 50 0 CGAAMO Cc1ccnc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000095386124 370181354 /nfs/dbraw/zinc/18/13/54/370181354.db2.gz MWTJKDNEIIHITQ-KRWDZBQOSA-N 1 1 296.418 3.109 50 0 CGAAMO Cc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)o1 ZINC000093442437 370130961 /nfs/dbraw/zinc/13/09/61/370130961.db2.gz GMSHORGBRBPJFL-MRXNPFEDSA-N 1 1 259.349 3.144 50 0 CGAAMO Cc1cnc(CC[N@H+](C)Cc2cnc(C3CC3)s2)s1 ZINC000093807381 370159944 /nfs/dbraw/zinc/15/99/44/370159944.db2.gz OJYGWCXEJLPWFG-UHFFFAOYSA-N 1 1 293.461 3.460 50 0 CGAAMO CCc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)o1 ZINC000093863991 370165165 /nfs/dbraw/zinc/16/51/65/370165165.db2.gz FTYBMGZXWWKCQG-OAHLLOKOSA-N 1 1 273.380 3.085 50 0 CGAAMO CCc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)o1 ZINC000093863991 370165170 /nfs/dbraw/zinc/16/51/70/370165170.db2.gz FTYBMGZXWWKCQG-OAHLLOKOSA-N 1 1 273.380 3.085 50 0 CGAAMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000097086151 370223791 /nfs/dbraw/zinc/22/37/91/370223791.db2.gz JRUPRBJRTBIWJX-MRXNPFEDSA-N 1 1 283.375 3.212 50 0 CGAAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000097086151 370223796 /nfs/dbraw/zinc/22/37/96/370223796.db2.gz JRUPRBJRTBIWJX-MRXNPFEDSA-N 1 1 283.375 3.212 50 0 CGAAMO Cc1nc(SCCCCn2cc[nH+]c2C)oc1C ZINC000095453251 370196616 /nfs/dbraw/zinc/19/66/16/370196616.db2.gz ITUYZOPSMYFYEO-UHFFFAOYSA-N 1 1 265.382 3.369 50 0 CGAAMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)C1CC1 ZINC000095453411 370197127 /nfs/dbraw/zinc/19/71/27/370197127.db2.gz GFCGTODNYWGSAW-MRXNPFEDSA-N 1 1 259.393 3.309 50 0 CGAAMO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)C2)cc1C(C)C ZINC000095513028 370201008 /nfs/dbraw/zinc/20/10/08/370201008.db2.gz NHJUXSJGRPQIEI-HNNXBMFYSA-N 1 1 289.423 3.286 50 0 CGAAMO COc1ccc(-c2nc3c([nH]2)C[N@H+](C2CCCC2)CC3)cc1 ZINC000096165093 370207519 /nfs/dbraw/zinc/20/75/19/370207519.db2.gz MPRAZCAPQQKLSG-UHFFFAOYSA-N 1 1 297.402 3.386 50 0 CGAAMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678061 372631162 /nfs/dbraw/zinc/63/11/62/372631162.db2.gz PJDZEFDKOJSNAL-DOTOQJQBSA-N 1 1 293.451 3.463 50 0 CGAAMO Cc1ccccc1CCC[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000084678292 541935450 /nfs/dbraw/zinc/93/54/50/541935450.db2.gz MYDDAOVGBUMHIV-UHFFFAOYSA-N 1 1 298.434 3.066 50 0 CGAAMO Cc1ccccc1CCC[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000084678292 541935452 /nfs/dbraw/zinc/93/54/52/541935452.db2.gz MYDDAOVGBUMHIV-UHFFFAOYSA-N 1 1 298.434 3.066 50 0 CGAAMO 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Cc1ccccc1C[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000019530887 368756388 /nfs/dbraw/zinc/75/63/88/368756388.db2.gz SPTZHGHTDZBZAL-WBVHZDCISA-N 1 1 288.435 3.122 50 0 CGAAMO Cc1ccccc1C[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000019530887 368756392 /nfs/dbraw/zinc/75/63/92/368756392.db2.gz SPTZHGHTDZBZAL-WBVHZDCISA-N 1 1 288.435 3.122 50 0 CGAAMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)c2ccccc2)c1 ZINC000023279884 368819005 /nfs/dbraw/zinc/81/90/05/368819005.db2.gz OIVQWFBXVFYLNU-GOSISDBHSA-N 1 1 269.388 3.469 50 0 CGAAMO COc1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1OC ZINC000025356917 368844209 /nfs/dbraw/zinc/84/42/09/368844209.db2.gz HFHZVFKDFMOMEG-OAHLLOKOSA-N 1 1 299.370 3.317 50 0 CGAAMO CN(C)/C=C/c1ccnc(-c2cc(/C=C\[NH+](C)C)ccn2)c1 ZINC000033363381 368963876 /nfs/dbraw/zinc/96/38/76/368963876.db2.gz PMOOYDXWOVKBRY-NTLHZVPKSA-N 1 1 294.402 3.208 50 0 CGAAMO CN(C)/C=C\c1ccnc(-c2cc(/C=C/[NH+](C)C)ccn2)c1 ZINC000033363381 368963884 /nfs/dbraw/zinc/96/38/84/368963884.db2.gz PMOOYDXWOVKBRY-NTLHZVPKSA-N 1 1 294.402 3.208 50 0 CGAAMO CCC[N@H+](Cc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036100579 369009447 /nfs/dbraw/zinc/00/94/47/369009447.db2.gz OCKLQGYXCPVBEL-SFHVURJKSA-N 1 1 293.451 3.241 50 0 CGAAMO Cc1cccn2c(=O)cc(C[N@H+](C)C3CCCCCC3)nc12 ZINC000036392932 369019251 /nfs/dbraw/zinc/01/92/51/369019251.db2.gz WJXGQWILAFNLDU-UHFFFAOYSA-N 1 1 299.418 3.158 50 0 CGAAMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCCO1 ZINC000042977612 369239095 /nfs/dbraw/zinc/23/90/95/369239095.db2.gz FEMIPMHMOIFTSM-CQSZACIVSA-N 1 1 285.334 3.289 50 0 CGAAMO Nc1nc(NCc2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000127938435 370957323 /nfs/dbraw/zinc/95/73/23/370957323.db2.gz OGLCWGIUVQHPPS-UHFFFAOYSA-N 1 1 284.750 3.478 50 0 CGAAMO Cc1nnc(C[NH+]2CCC(CCc3ccccc3)CC2)o1 ZINC000054148492 369496166 /nfs/dbraw/zinc/49/61/66/369496166.db2.gz WJHRRXWKEQRTLN-UHFFFAOYSA-N 1 1 285.391 3.223 50 0 CGAAMO CN(C)CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000057364348 369536552 /nfs/dbraw/zinc/53/65/52/369536552.db2.gz CMGSWKQGFNCIMG-UHFFFAOYSA-N 1 1 298.430 3.307 50 0 CGAAMO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1cnc(OC)nc1 ZINC000055183287 369513431 /nfs/dbraw/zinc/51/34/31/369513431.db2.gz RPZQFOHPTQOLQX-GFCCVEGCSA-N 1 1 291.420 3.347 50 0 CGAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)nc1 ZINC000055327876 369515401 /nfs/dbraw/zinc/51/54/01/369515401.db2.gz MYJKQWDNGHPNFJ-HNNXBMFYSA-N 1 1 283.419 3.410 50 0 CGAAMO CCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000059368216 369580178 /nfs/dbraw/zinc/58/01/78/369580178.db2.gz SLMZKNUUONFGAE-OAHLLOKOSA-N 1 1 271.364 3.278 50 0 CGAAMO CCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000059368216 369580183 /nfs/dbraw/zinc/58/01/83/369580183.db2.gz SLMZKNUUONFGAE-OAHLLOKOSA-N 1 1 271.364 3.278 50 0 CGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+](C)C ZINC000064553558 369656901 /nfs/dbraw/zinc/65/69/01/369656901.db2.gz YLRSKWVJHNTURM-UHFFFAOYSA-N 1 1 250.729 3.365 50 0 CGAAMO CC[C@@H]1CN(C/C(C)=C/c2ccco2)CC[N@H+]1C(C)C ZINC000065467199 369677901 /nfs/dbraw/zinc/67/79/01/369677901.db2.gz CLDGWVZNMUUTOI-RBFDBLARSA-N 1 1 276.424 3.488 50 0 CGAAMO Fc1cccc([C@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000069812349 369771900 /nfs/dbraw/zinc/77/19/00/369771900.db2.gz JJMAYSMGRGVODX-HNNXBMFYSA-N 1 1 256.324 3.210 50 0 CGAAMO CC(C)=CC[N@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000069464156 369762086 /nfs/dbraw/zinc/76/20/86/369762086.db2.gz QBTHPYAIFVWQST-MRXNPFEDSA-N 1 1 260.381 3.029 50 0 CGAAMO Cc1cccnc1C[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000067713675 369725532 /nfs/dbraw/zinc/72/55/32/369725532.db2.gz XYLOVXZZYDKQHQ-INIZCTEOSA-N 1 1 289.467 3.031 50 0 CGAAMO C[N@H+]1CCC[C@H](CSc2ncnc3ccsc32)C1 ZINC000070009216 369776184 /nfs/dbraw/zinc/77/61/84/369776184.db2.gz GOUQFCVNOGXKOR-JTQLQIEISA-N 1 1 279.434 3.125 50 0 CGAAMO COc1ccccc1[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000075940428 369922651 /nfs/dbraw/zinc/92/26/51/369922651.db2.gz QCFMXGMKRGNMDA-KRWDZBQOSA-N 1 1 282.387 3.470 50 0 CGAAMO OCCC[N@@H+](Cc1ccncc1)[C@H]1CCCc2ccccc21 ZINC000084581913 370013158 /nfs/dbraw/zinc/01/31/58/370013158.db2.gz 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biogenic CGAAMO COCCNc1cc[nH+]c2c(C)cc(Cl)cc12 ZINC000001778808 368438214 /nfs/dbraw/zinc/43/82/14/368438214.db2.gz MFODNMQQOUNVBQ-UHFFFAOYSA-N 1 1 250.729 3.255 50 0 CGAAMO O=C(C[NH+]1CCCCC1)OCCCC1CCCCC1 ZINC000002377394 368453210 /nfs/dbraw/zinc/45/32/10/368453210.db2.gz ODWOARUFOZUNLZ-UHFFFAOYSA-N 1 1 267.413 3.376 50 0 CGAAMO O=C(c1ccccc1F)c1ccccc1C[NH+]1CC=CC1 ZINC000002515902 368458622 /nfs/dbraw/zinc/45/86/22/368458622.db2.gz IOHIHRKFKYYJHU-UHFFFAOYSA-N 1 1 281.330 3.429 50 0 CGAAMO O=C(c1ccc(F)cc1)c1ccc(C[NH+]2CCC2)cc1 ZINC000002514619 368458694 /nfs/dbraw/zinc/45/86/94/368458694.db2.gz VVRPFCBYICYVGR-UHFFFAOYSA-N 1 1 269.319 3.262 50 0 CGAAMO Cc1ccccc1C(=O)c1ccc(C[NH+]2CCC2)cc1 ZINC000002514600 368459087 /nfs/dbraw/zinc/45/90/87/368459087.db2.gz UCDAFGLFHOMHNH-UHFFFAOYSA-N 1 1 265.356 3.432 50 0 CGAAMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004173911 368534715 /nfs/dbraw/zinc/53/47/15/368534715.db2.gz GBBKLVNISBEAMH-BBWFWOEESA-N 1 1 291.435 3.306 50 0 CGAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1F ZINC000004027215 368527115 /nfs/dbraw/zinc/52/71/15/368527115.db2.gz HIQQSLPHHOZEQQ-XJKSGUPXSA-N 1 1 291.366 3.247 50 0 biogenic CGAAMO O=C1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]2C1 ZINC000004831218 368557965 /nfs/dbraw/zinc/55/79/65/368557965.db2.gz LEXXFFUKMREIKL-SNUQEOBHSA-N 1 1 294.398 3.456 50 0 CGAAMO O=C1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]2C1 ZINC000004831218 368557972 /nfs/dbraw/zinc/55/79/72/368557972.db2.gz LEXXFFUKMREIKL-SNUQEOBHSA-N 1 1 294.398 3.456 50 0 CGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000004197760 368536361 /nfs/dbraw/zinc/53/63/61/368536361.db2.gz VBRPHTQWMPRTIL-GUTXKFCHSA-N 1 1 297.826 3.343 50 0 CGAAMO Cc1cccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000004304975 368541700 /nfs/dbraw/zinc/54/17/00/368541700.db2.gz OUCWOOHGPMSVMN-JKIFEVAISA-N 1 1 291.435 3.021 50 0 CGAAMO [NH2+]=C1N[C@@H](c2ccccc2)C=C(c2ccccc2)O1 ZINC000012249923 368606789 /nfs/dbraw/zinc/60/67/89/368606789.db2.gz VISPLFQNYILXNY-CQSZACIVSA-N 1 1 250.301 3.114 50 0 CGAAMO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccccc1Cl ZINC000012769691 368626181 /nfs/dbraw/zinc/62/61/81/368626181.db2.gz PSWZLVFJXVPQCP-SECBINFHSA-N 1 1 295.795 3.086 50 0 CGAAMO Cc1ccccc1C(=O)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013424948 368653443 /nfs/dbraw/zinc/65/34/43/368653443.db2.gz BKGMTYVUVOSNDX-WBVHZDCISA-N 1 1 287.403 3.416 50 0 biogenic,in-vitro CGAAMO Cc1ccc(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489202 368713511 /nfs/dbraw/zinc/71/35/11/368713511.db2.gz SVZNKJSRMKNWGW-OKILXGFUSA-N 1 1 265.422 3.196 50 0 CGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000016662887 368719668 /nfs/dbraw/zinc/71/96/68/368719668.db2.gz OHOKWLGSCCRSGE-NSHDSACASA-N 1 1 286.297 3.453 50 0 CGAAMO CC[NH+](CC)[C@@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000019260245 368746677 /nfs/dbraw/zinc/74/66/77/368746677.db2.gz RDIPAVQWDCEASO-LBPRGKRZSA-N 1 1 260.303 3.047 50 0 CGAAMO CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000024083129 368829580 /nfs/dbraw/zinc/82/95/80/368829580.db2.gz RZHNZKABKZGIEM-KRWDZBQOSA-N 1 1 255.361 3.242 50 0 CGAAMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000030630784 368904565 /nfs/dbraw/zinc/90/45/65/368904565.db2.gz WXGBJRCLYCGUBY-GOSISDBHSA-N 1 1 292.382 3.002 50 0 CGAAMO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000030630784 368904572 /nfs/dbraw/zinc/90/45/72/368904572.db2.gz WXGBJRCLYCGUBY-GOSISDBHSA-N 1 1 292.382 3.002 50 0 CGAAMO Cc1noc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000032894968 368950296 /nfs/dbraw/zinc/95/02/96/368950296.db2.gz REXSLCXSOZTCMM-UHFFFAOYSA-N 1 1 296.374 3.239 50 0 CGAAMO Cc1ccc(COC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000035075008 368996141 /nfs/dbraw/zinc/99/61/41/368996141.db2.gz PAWQSMOBOGCYPF-JZXOWHBKSA-N 1 1 291.435 3.135 50 0 CGAAMO c1ccc2c(c1)SCC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000037140870 369067986 /nfs/dbraw/zinc/06/79/86/369067986.db2.gz BBRZAKQJIIXVIB-MRXNPFEDSA-N 1 1 288.460 3.440 50 0 CGAAMO C[N@H+](Cc1ccco1)C[C@H](O)c1ccc(Cl)cc1 ZINC000042669829 369228479 /nfs/dbraw/zinc/22/84/79/369228479.db2.gz AQXUXBCAFZKAEI-AWEZNQCLSA-N 1 1 265.740 3.098 50 0 CGAAMO CC[NH+](CC)[C@@H](C(=O)Nc1nccs1)c1ccccc1 ZINC000052534210 369469390 /nfs/dbraw/zinc/46/93/90/369469390.db2.gz COHOWSCRFQUJCL-CYBMUJFWSA-N 1 1 289.404 3.165 50 0 CGAAMO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)c2ccon2)c(C)c1CO ZINC000055382886 369516508 /nfs/dbraw/zinc/51/65/08/369516508.db2.gz QTYOELWZBBAWLK-AWEZNQCLSA-N 1 1 288.391 3.285 50 0 CGAAMO Cc1cc(C)c(C[N@H+](C)[C@@H](C)c2ccon2)c(C)c1CO ZINC000055382886 369516509 /nfs/dbraw/zinc/51/65/09/369516509.db2.gz QTYOELWZBBAWLK-AWEZNQCLSA-N 1 1 288.391 3.285 50 0 CGAAMO CCc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)nc1 ZINC000067641376 369721795 /nfs/dbraw/zinc/72/17/95/369721795.db2.gz NVHRVDWUWYNSLI-FUHWJXTLSA-N 1 1 290.451 3.263 50 0 CGAAMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC(C)C ZINC000069492904 369762050 /nfs/dbraw/zinc/76/20/50/369762050.db2.gz 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/nfs/dbraw/zinc/92/72/43/369927243.db2.gz SDKSEXUQHDBABY-ZDUSSCGKSA-N 1 1 289.404 3.388 50 0 CGAAMO O[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)Cc2ccccc21 ZINC000082121620 369999782 /nfs/dbraw/zinc/99/97/82/369999782.db2.gz DMJDNGWYOCVGNS-QGZVFWFLSA-N 1 1 279.339 3.482 50 0 CGAAMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000089470018 370042276 /nfs/dbraw/zinc/04/22/76/370042276.db2.gz CMFKLMWYKNOEAX-INIZCTEOSA-N 1 1 256.349 3.360 50 0 CGAAMO COc1ccc2oc(C[N@H+]3CCC[C@H](CCO)C3)cc2c1 ZINC000093107694 370110779 /nfs/dbraw/zinc/11/07/79/370110779.db2.gz UMRXVGVEIDWDLF-CYBMUJFWSA-N 1 1 289.375 3.036 50 0 CGAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(C(C)C)cc1 ZINC000095098704 370176367 /nfs/dbraw/zinc/17/63/67/370176367.db2.gz LRLQTKJTSIITSD-KRWDZBQOSA-N 1 1 260.425 3.384 50 0 CGAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(C(C)C)cc1 ZINC000095098704 370176369 /nfs/dbraw/zinc/17/63/69/370176369.db2.gz LRLQTKJTSIITSD-KRWDZBQOSA-N 1 1 260.425 3.384 50 0 CGAAMO C[N@H+]1CCC[C@H](CCc2ncnn2C2CCCCC2)C1 ZINC000095353821 370178051 /nfs/dbraw/zinc/17/80/51/370178051.db2.gz UELLQCCUAGKQHD-CQSZACIVSA-N 1 1 276.428 3.058 50 0 CGAAMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)s1 ZINC000095387219 370181123 /nfs/dbraw/zinc/18/11/23/370181123.db2.gz BIGVRJKCOOTHMJ-CQSZACIVSA-N 1 1 251.395 3.059 50 0 CGAAMO CCn1cccc1C[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000095408341 370183434 /nfs/dbraw/zinc/18/34/34/370183434.db2.gz MWNOJRZKEBFSOL-UHFFFAOYSA-N 1 1 285.391 3.098 50 0 CGAAMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000170619325 372643085 /nfs/dbraw/zinc/64/30/85/372643085.db2.gz RXSJUBJTFRGZCF-UHFFFAOYSA-N 1 1 280.799 3.461 50 0 CGAAMO C[C@H](C[NH3+])Oc1cccc(CN(C)Cc2cccs2)c1 ZINC000299768951 373612474 /nfs/dbraw/zinc/61/24/74/373612474.db2.gz HDFIDNWXALRBGT-CYBMUJFWSA-N 1 1 290.432 3.106 50 0 CGAAMO C[C@H](CC[N@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000193885467 375935945 /nfs/dbraw/zinc/93/59/45/375935945.db2.gz DCCKAGABDXKKPM-WBVHZDCISA-N 1 1 284.407 3.109 50 0 CGAAMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccccn2)C1 ZINC000195529995 376112028 /nfs/dbraw/zinc/11/20/28/376112028.db2.gz BJEUFPWCOVJBPU-CRAIPNDOSA-N 1 1 281.403 3.007 50 0 CGAAMO c1nn2cccnc2c1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000215323059 376145861 /nfs/dbraw/zinc/14/58/61/376145861.db2.gz AFHYOZHSZHATER-UHFFFAOYSA-N 1 1 290.370 3.019 50 0 CGAAMO COc1c(F)cccc1C[N@@H+](C)CCC[C@@H]1CCCO1 ZINC000215803053 376152164 /nfs/dbraw/zinc/15/21/64/376152164.db2.gz JWBVLIUXKFSMBW-CQSZACIVSA-N 1 1 281.371 3.225 50 0 CGAAMO Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000215903754 376152982 /nfs/dbraw/zinc/15/29/82/376152982.db2.gz OJAWLYACQSQNLZ-RDJZCZTQSA-N 1 1 277.383 3.261 50 0 CGAAMO C[N@@H+](Cc1cscn1)C[C@H]1CCN(c2ccccc2)C1 ZINC000215994474 376156894 /nfs/dbraw/zinc/15/68/94/376156894.db2.gz NLAWQJHYWYRTEH-CQSZACIVSA-N 1 1 287.432 3.101 50 0 CGAAMO C[N@H+](Cc1cscn1)C[C@H]1CCN(c2ccccc2)C1 ZINC000215994474 376156900 /nfs/dbraw/zinc/15/69/00/376156900.db2.gz NLAWQJHYWYRTEH-CQSZACIVSA-N 1 1 287.432 3.101 50 0 CGAAMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2OC)C1 ZINC000216407808 376164000 /nfs/dbraw/zinc/16/40/00/376164000.db2.gz VCTSCSXIEMZWBB-MRXNPFEDSA-N 1 1 293.407 3.095 50 0 CGAAMO CC[N@@H+](CCO)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225532676 376313971 /nfs/dbraw/zinc/31/39/71/376313971.db2.gz GPQBAAMECRZNBC-UHFFFAOYSA-N 1 1 277.339 3.208 50 0 CGAAMO COC(=O)CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000225514232 376314770 /nfs/dbraw/zinc/31/47/70/376314770.db2.gz IQSOHEAANWUYKH-NVXWUHKLSA-N 1 1 289.419 3.455 50 0 CGAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCCC[C@@H]3C(C)C)nc12 ZINC000225395912 376306067 /nfs/dbraw/zinc/30/60/67/376306067.db2.gz ORCJAYNXDBJJAY-MRXNPFEDSA-N 1 1 299.418 3.013 50 0 CGAAMO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720116 376470532 /nfs/dbraw/zinc/47/05/32/376470532.db2.gz UVVCEZALBQSUGV-GDBMZVCRSA-N 1 1 288.435 3.169 50 0 CGAAMO Nc1cc(-c2ccc(Oc3ccccc3)cc2)[nH+]c(N)n1 ZINC000236398778 376664800 /nfs/dbraw/zinc/66/48/00/376664800.db2.gz VZVVRGQCNGESSF-UHFFFAOYSA-N 1 1 278.315 3.100 50 0 CGAAMO Fc1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000240412650 376773984 /nfs/dbraw/zinc/77/39/84/376773984.db2.gz FNOLKSRXYQOBCI-AWEZNQCLSA-N 1 1 282.790 3.149 50 0 CGAAMO CC(C)c1ccc(OCC[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000243956693 376789067 /nfs/dbraw/zinc/78/90/67/376789067.db2.gz CCAVVMVPITXJIL-OAHLLOKOSA-N 1 1 277.408 3.157 50 0 CGAAMO CCC[N@@H+](Cc1ccsc1)Cc1cc(=O)c(OC)c[nH]1 ZINC000244678545 376793583 /nfs/dbraw/zinc/79/35/83/376793583.db2.gz IFOORXLJNWFFTQ-UHFFFAOYSA-N 1 1 292.404 3.270 50 0 CGAAMO CC(=O)Nc1cccc2c1CC[N@H+](CCSC(C)C)C2 ZINC000252481739 377627137 /nfs/dbraw/zinc/62/71/37/377627137.db2.gz CRBNRURDUVEOCG-UHFFFAOYSA-N 1 1 292.448 3.145 50 0 CGAAMO C[N@@H+](CCSC1CCCCC1)C[C@@H]1CCOC1 ZINC000252481972 377629130 /nfs/dbraw/zinc/62/91/30/377629130.db2.gz CWBUYGUCERSRAZ-ZDUSSCGKSA-N 1 1 257.443 3.021 50 0 CGAAMO Cc1cc(C)nc(C[N@@H+](C)Cc2ccncc2C)c1 ZINC000252486857 377631434 /nfs/dbraw/zinc/63/14/34/377631434.db2.gz HPMDZJCFSHCCGA-UHFFFAOYSA-N 1 1 255.365 3.034 50 0 CGAAMO Cc1cc(C)nc(C[N@H+](C)Cc2ccncc2C)c1 ZINC000252486857 377631446 /nfs/dbraw/zinc/63/14/46/377631446.db2.gz HPMDZJCFSHCCGA-UHFFFAOYSA-N 1 1 255.365 3.034 50 0 CGAAMO c1ccc2c(c1)N[C@@H]1[C@@H]2CC[N@H+]2C[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000252694493 377652721 /nfs/dbraw/zinc/65/27/21/377652721.db2.gz LKHAUIVLOLWBIF-MMGJPBGESA-N 1 1 268.404 3.459 50 0 biogenic CGAAMO CC(C)[N@@H+](CCSC(C)(C)C)C1CCOCC1 ZINC000253393711 377689288 /nfs/dbraw/zinc/68/92/88/377689288.db2.gz PGXRGOMHSZPGMP-UHFFFAOYSA-N 1 1 259.459 3.408 50 0 CGAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1C ZINC000253598340 377701668 /nfs/dbraw/zinc/70/16/68/377701668.db2.gz IOPGFDMOEJNSMP-ZIAGYGMSSA-N 1 1 292.448 3.145 50 0 CGAAMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC1(C)COC1 ZINC000345945564 378416656 /nfs/dbraw/zinc/41/66/56/378416656.db2.gz ZOWQIZKDMSHXIQ-UHFFFAOYSA-N 1 1 289.297 3.054 50 0 CGAAMO CCC[C@@]1(CO)CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000377492406 379686667 /nfs/dbraw/zinc/68/66/67/379686667.db2.gz JORMXQYCAZZLSJ-MRXNPFEDSA-N 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C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000005031865 170058868 /nfs/dbraw/zinc/05/88/68/170058868.db2.gz TVLRBVCAHBHTEH-LBPRGKRZSA-N 1 1 257.337 3.111 50 0 CGAAMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(F)cc1 ZINC000007267436 170274761 /nfs/dbraw/zinc/27/47/61/170274761.db2.gz YGDFTPJCZCSPIC-CYBMUJFWSA-N 1 1 286.350 3.285 50 0 CGAAMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000007267436 170274764 /nfs/dbraw/zinc/27/47/64/170274764.db2.gz YGDFTPJCZCSPIC-CYBMUJFWSA-N 1 1 286.350 3.285 50 0 CGAAMO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000007785615 170302551 /nfs/dbraw/zinc/30/25/51/170302551.db2.gz KWRJVSMBUVWUOJ-UHFFFAOYSA-N 1 1 290.313 3.035 50 0 CGAAMO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000007785615 170302552 /nfs/dbraw/zinc/30/25/52/170302552.db2.gz KWRJVSMBUVWUOJ-UHFFFAOYSA-N 1 1 290.313 3.035 50 0 CGAAMO C[N@@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CC12CCC2 ZINC000020204954 171069985 /nfs/dbraw/zinc/06/99/85/171069985.db2.gz IGLXRTCFVJAZDZ-LBPRGKRZSA-N 1 1 287.382 3.367 50 0 CGAAMO C[N@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@@H]1CC12CCC2 ZINC000020204954 171069988 /nfs/dbraw/zinc/06/99/88/171069988.db2.gz IGLXRTCFVJAZDZ-LBPRGKRZSA-N 1 1 287.382 3.367 50 0 CGAAMO C[N@@H+](CCc1nc2ccc(F)cc2[nH]1)C[C@@H]1CC12CCC2 ZINC000020204954 171069990 /nfs/dbraw/zinc/06/99/90/171069990.db2.gz IGLXRTCFVJAZDZ-LBPRGKRZSA-N 1 1 287.382 3.367 50 0 CGAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020599521 171266286 /nfs/dbraw/zinc/26/62/86/171266286.db2.gz USYCFDVCQNCTBO-HNNXBMFYSA-N 1 1 287.382 3.491 50 0 CGAAMO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2Cl)cn1 ZINC000040464600 174274120 /nfs/dbraw/zinc/27/41/20/174274120.db2.gz LGDVRJKPYONUMQ-UHFFFAOYSA-N 1 1 270.163 3.017 50 0 CGAAMO CS[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000048940783 175454911 /nfs/dbraw/zinc/45/49/11/175454911.db2.gz WCKSVNPNYPATIP-SECBINFHSA-N 1 1 293.367 3.010 50 0 CGAAMO Oc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)c1 ZINC000071763562 176261687 /nfs/dbraw/zinc/26/16/87/176261687.db2.gz 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/nfs/dbraw/zinc/07/42/41/177074241.db2.gz SKPCYNVLIKUGKO-JTQLQIEISA-N 1 1 279.771 3.094 50 0 CGAAMO Cc1nnc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)o1 ZINC000076732871 177074242 /nfs/dbraw/zinc/07/42/42/177074242.db2.gz SKPCYNVLIKUGKO-JTQLQIEISA-N 1 1 279.771 3.094 50 0 CGAAMO c1csc(CC[C@H]2CCCC[N@H+]2Cc2ncc[nH]2)c1 ZINC000077459910 177271359 /nfs/dbraw/zinc/27/13/59/177271359.db2.gz HJBJCFGQDRVLDB-CYBMUJFWSA-N 1 1 275.421 3.459 50 0 CGAAMO CC(C)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000685939749 544109869 /nfs/dbraw/zinc/10/98/69/544109869.db2.gz DBFQUFURENGEJA-CVEARBPZSA-N 1 1 276.399 3.277 50 0 CGAAMO CC(C)(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000685939749 544109871 /nfs/dbraw/zinc/10/98/71/544109871.db2.gz DBFQUFURENGEJA-CVEARBPZSA-N 1 1 276.399 3.277 50 0 CGAAMO Cc1cc([C@H]2CCC[N@H+]([C@H](C)c3ccncc3)C2)[nH]n1 ZINC000685939591 544110057 /nfs/dbraw/zinc/11/00/57/544110057.db2.gz UHYRDCILNLILQG-HIFRSBDPSA-N 1 1 270.380 3.054 50 0 CGAAMO C[C@@H]1C[N@H+](Cc2cccc(O)c2)Cc2ccccc2O1 ZINC000014997363 274354397 /nfs/dbraw/zinc/35/43/97/274354397.db2.gz AGCZNRZIABKZTI-CYBMUJFWSA-N 1 1 269.344 3.175 50 0 CGAAMO C[C@@H]1C[N@@H+](Cc2cccc(O)c2)Cc2ccccc2O1 ZINC000014997363 274354399 /nfs/dbraw/zinc/35/43/99/274354399.db2.gz AGCZNRZIABKZTI-CYBMUJFWSA-N 1 1 269.344 3.175 50 0 CGAAMO COC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccco1 ZINC000096478928 277599125 /nfs/dbraw/zinc/59/91/25/277599125.db2.gz DGVPKPPOZGEKKC-CABCVRRESA-N 1 1 275.323 3.383 50 0 CGAAMO Clc1cccc2c3c([nH]c21)CC[N@@H+](C[C@@H]1CCOC1)C3 ZINC000072439599 327110844 /nfs/dbraw/zinc/11/08/44/327110844.db2.gz JKAZZIJKGKWYHG-NSHDSACASA-N 1 1 290.794 3.216 50 0 CGAAMO Clc1cccc2c3c([nH]c21)CC[N@H+](C[C@@H]1CCOC1)C3 ZINC000072439599 327110845 /nfs/dbraw/zinc/11/08/45/327110845.db2.gz JKAZZIJKGKWYHG-NSHDSACASA-N 1 1 290.794 3.216 50 0 CGAAMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000096441699 529234566 /nfs/dbraw/zinc/23/45/66/529234566.db2.gz BONGIWSGQOJMKQ-KBPBESRZSA-N 1 1 250.411 3.188 50 0 CGAAMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1cnc(C)s1 ZINC000179383753 618780685 /nfs/dbraw/zinc/78/06/85/618780685.db2.gz YWPIZRSZRSXONR-UHFFFAOYSA-N 1 1 289.404 3.042 50 0 CGAAMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000179383753 618780686 /nfs/dbraw/zinc/78/06/86/618780686.db2.gz YWPIZRSZRSXONR-UHFFFAOYSA-N 1 1 289.404 3.042 50 0 CGAAMO C[C@@H]1C[C@@](O)(c2ccccc2)[C@H](C)C[N@H+]1C(C)(C)C ZINC000004020003 619028626 /nfs/dbraw/zinc/02/86/26/619028626.db2.gz WAYZJBMQUCOOHW-CPUCHLNUSA-N 1 1 261.409 3.403 50 0 CGAAMO Cc1nc(C[N@@H+]2CCCN(c3ccccc3C)CC2)co1 ZINC000072161830 625248020 /nfs/dbraw/zinc/24/80/20/625248020.db2.gz VVQYUESFWSJCNV-UHFFFAOYSA-N 1 1 285.391 3.004 50 0 CGAAMO Cc1nc(C[N@H+]2CCCN(c3ccccc3C)CC2)co1 ZINC000072161830 625248033 /nfs/dbraw/zinc/24/80/33/625248033.db2.gz VVQYUESFWSJCNV-UHFFFAOYSA-N 1 1 285.391 3.004 50 0 CGAAMO Cc1ncsc1CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000863982644 629721699 /nfs/dbraw/zinc/72/16/99/629721699.db2.gz XRZNVUFZUQHDMM-GFCCVEGCSA-N 1 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CC(C)c1nnc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)o1 ZINC000071907870 176296790 /nfs/dbraw/zinc/29/67/90/176296790.db2.gz BVXVAQYOWSFCLB-HNNXBMFYSA-N 1 1 285.391 3.182 50 0 CGAAMO Cc1ccc(SC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000072149054 176326691 /nfs/dbraw/zinc/32/66/91/176326691.db2.gz GBFQXYJNPSKFCL-OAHLLOKOSA-N 1 1 290.476 3.161 50 0 CGAAMO CCc1nnc(C[NH2+]C(C)(C)c2ccccc2)s1 ZINC000680050620 543681179 /nfs/dbraw/zinc/68/11/79/543681179.db2.gz APKAVHXZVGYKIA-UHFFFAOYSA-N 1 1 261.394 3.125 50 0 CGAAMO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000193761602 270080121 /nfs/dbraw/zinc/08/01/21/270080121.db2.gz ABNDKDIVAHVEIP-ABAIWWIYSA-N 1 1 280.799 3.002 50 0 CGAAMO O=C(O[C@@H]1CCN2Cc3ccccc3[NH+]=C12)c1ccccc1 ZINC000000526265 275003260 /nfs/dbraw/zinc/00/32/60/275003260.db2.gz PBGDBZBJVKDLOM-MRXNPFEDSA-N 1 1 292.338 3.162 50 0 biogenic CGAAMO Clc1c[nH+]ccc1N1CCC[C@@]2(CCCOC2)C1 ZINC000095408662 279297844 /nfs/dbraw/zinc/29/78/44/279297844.db2.gz UBMKHJALQNAVPQ-CQSZACIVSA-N 1 1 266.772 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CSc1nc(N[C@H](C)C2=CCCCC2)cc(N)[nH+]1 ZINC001529089919 938070896 /nfs/dbraw/zinc/07/08/96/938070896.db2.gz CSGNRQYADAZNOD-SECBINFHSA-N 1 1 264.398 3.082 50 0 CGAAMO CSc1nc(N)cc(N[C@H](C)C2=CCCCC2)[nH+]1 ZINC001529089919 938070897 /nfs/dbraw/zinc/07/08/97/938070897.db2.gz CSGNRQYADAZNOD-SECBINFHSA-N 1 1 264.398 3.082 50 0 CGAAMO O=C(Cc1cccs1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004062004 230368017 /nfs/dbraw/zinc/36/80/17/230368017.db2.gz KEWXUCFCBRVLST-DZGCQCFKSA-N 1 1 293.432 3.098 50 0 biogenic CGAAMO C[C@@H](O)c1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000180428704 230395922 /nfs/dbraw/zinc/39/59/22/230395922.db2.gz JOGXIPHTIAMKSV-SNVBAGLBSA-N 1 1 262.740 3.400 50 0 CGAAMO COc1ccc([C@H]([NH2+]Cc2ncc(C)o2)C(C)C)cc1 ZINC000095984331 185055696 /nfs/dbraw/zinc/05/56/96/185055696.db2.gz RMNSGEWMJBBJLB-MRXNPFEDSA-N 1 1 274.364 3.479 50 0 CGAAMO c1csc([C@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000095987163 185056612 /nfs/dbraw/zinc/05/66/12/185056612.db2.gz PWEXFJIRCZXTJQ-CYBMUJFWSA-N 1 1 261.394 3.172 50 0 CGAAMO C[N@@H+](C1CCN(CCc2ccccn2)CC1)[C@@H]1C=CCCC1 ZINC000096455911 529822298 /nfs/dbraw/zinc/82/22/98/529822298.db2.gz FZQXFSXIWOBPNL-GOSISDBHSA-N 1 1 299.462 3.129 50 0 CGAAMO Cc1nnc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)s1 ZINC000299772687 282314731 /nfs/dbraw/zinc/31/47/31/282314731.db2.gz BGXPXEWWPGZIML-UHFFFAOYSA-N 1 1 297.427 3.407 50 0 CGAAMO CC(=O)O[C@@H]1C[C@H](C(C)(C)C)C[N@H+](C(C)(C)C)C1 ZINC000005378770 344860944 /nfs/dbraw/zinc/86/09/44/344860944.db2.gz CNNCIVWTZOLSDH-QWHCGFSZSA-N 1 1 255.402 3.085 50 0 CGAAMO Cc1cccc2nc(C[NH2+][C@H](C)CC(F)(F)F)[nH]c21 ZINC000090947626 345797926 /nfs/dbraw/zinc/79/79/26/345797926.db2.gz CJUNPEZORMLPJK-SECBINFHSA-N 1 1 271.286 3.302 50 0 CGAAMO c1coc([C@H]2CCC[N@@H+]2CCOc2ccccc2)c1 ZINC000116295847 345976936 /nfs/dbraw/zinc/97/69/36/345976936.db2.gz IXUNQNHMPCXQMC-OAHLLOKOSA-N 1 1 257.333 3.496 50 0 CGAAMO c1ccc(C[N@H+]2CC[C@@H]3Nc4ccccc4[C@@H]3C2)cc1 ZINC000137857432 346095615 /nfs/dbraw/zinc/09/56/15/346095615.db2.gz DAFWBWMYCWYNEC-WMZOPIPTSA-N 1 1 264.372 3.470 50 0 CGAAMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)O1 ZINC000170608548 346195067 /nfs/dbraw/zinc/19/50/67/346195067.db2.gz MGYBJHYLNKBLJD-ZTFGCOKTSA-N 1 1 288.435 3.457 50 0 CGAAMO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)cc1C ZINC000181593952 346255700 /nfs/dbraw/zinc/25/57/00/346255700.db2.gz STQZTYKGQXKRTD-NWDGAFQWSA-N 1 1 288.347 3.181 50 0 CGAAMO Cc1ccc2cc(C[N@@H+]3C[C@@H](CO)CC[C@H]3C)ccc2n1 ZINC000225477989 346304869 /nfs/dbraw/zinc/30/48/69/346304869.db2.gz LZWOLBONRBOICD-ZBFHGGJFSA-N 1 1 284.403 3.136 50 0 CGAAMO C[C@@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1cnn(C)n1 ZINC000585134767 346724421 /nfs/dbraw/zinc/72/44/21/346724421.db2.gz JIZVZTYLFACSDT-CZUORRHYSA-N 1 1 284.407 3.397 50 0 CGAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2ccoc2)C1 ZINC000091526278 180179177 /nfs/dbraw/zinc/17/91/77/180179177.db2.gz PEDYRKAFWPJTFY-INIZCTEOSA-N 1 1 263.381 3.210 50 0 CGAAMO Cc1cccc(Cl)c1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000450760132 240077420 /nfs/dbraw/zinc/07/74/20/240077420.db2.gz LFPWPPHQNVGYHY-HNNXBMFYSA-N 1 1 265.784 3.259 50 0 CGAAMO Cc1cccc(Cl)c1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000450760132 240077425 /nfs/dbraw/zinc/07/74/25/240077425.db2.gz LFPWPPHQNVGYHY-HNNXBMFYSA-N 1 1 265.784 3.259 50 0 CGAAMO Clc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000236710 368322066 /nfs/dbraw/zinc/32/20/66/368322066.db2.gz DQZWOUAYJSCTKG-UHFFFAOYSA-N 1 1 287.794 3.057 50 0 CGAAMO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccccn1 ZINC000000360457 368348173 /nfs/dbraw/zinc/34/81/73/368348173.db2.gz OLRNEPZUEIKAKV-UHFFFAOYSA-N 1 1 276.767 3.424 50 0 CGAAMO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000001995433 368443218 /nfs/dbraw/zinc/44/32/18/368443218.db2.gz XDMDDWLZIDCNEQ-CQSZACIVSA-N 1 1 260.381 3.116 50 0 CGAAMO CSc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000002490849 368457230 /nfs/dbraw/zinc/45/72/30/368457230.db2.gz UDHONQCPPVKHCH-UHFFFAOYSA-N 1 1 299.443 3.126 50 0 CGAAMO COc1ccc(C(=O)c2cccc(C[NH+]3CCC3)c2)cc1 ZINC000002515106 368458574 /nfs/dbraw/zinc/45/85/74/368458574.db2.gz VADSDQPMNACRKX-UHFFFAOYSA-N 1 1 281.355 3.132 50 0 CGAAMO COc1cccc(C(=O)c2cccc(C[NH+]3CCC3)c2)c1 ZINC000002515105 368459378 /nfs/dbraw/zinc/45/93/78/368459378.db2.gz VLCUIAYHRMSOGP-UHFFFAOYSA-N 1 1 281.355 3.132 50 0 CGAAMO CCc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003322895 368501270 /nfs/dbraw/zinc/50/12/70/368501270.db2.gz DXVPEGWXUFKLJD-UHFFFAOYSA-N 1 1 294.398 3.246 50 0 CGAAMO CCc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000003322895 368501275 /nfs/dbraw/zinc/50/12/75/368501275.db2.gz DXVPEGWXUFKLJD-UHFFFAOYSA-N 1 1 294.398 3.246 50 0 CGAAMO O=C(Nc1ccccc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004006936 368525567 /nfs/dbraw/zinc/52/55/67/368525567.db2.gz OVSLXLJKOJXULE-GOEBONIOSA-N 1 1 288.391 3.500 50 0 biogenic CGAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](C)C1 ZINC000011817327 368596836 /nfs/dbraw/zinc/59/68/36/368596836.db2.gz KRKADJQTSGWDFN-DBEXCURXSA-N 1 1 287.403 3.365 50 0 CGAAMO Cc1cc(N2CCC([C@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000012874269 368630336 /nfs/dbraw/zinc/63/03/36/368630336.db2.gz MLCCWLKRHVKFKD-GOSISDBHSA-N 1 1 297.402 3.043 50 0 CGAAMO CCc1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000013323259 368649358 /nfs/dbraw/zinc/64/93/58/368649358.db2.gz DCBGBMDESDNQPJ-UHFFFAOYSA-N 1 1 274.408 3.452 50 0 CGAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000016662704 368720108 /nfs/dbraw/zinc/72/01/08/368720108.db2.gz QQVYWRUBHMVGND-OAHLLOKOSA-N 1 1 261.365 3.238 50 0 CGAAMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000023991522 368826749 /nfs/dbraw/zinc/82/67/49/368826749.db2.gz RELAAWXYYQCVPO-HZSPNIEDSA-N 1 1 290.407 3.000 50 0 CGAAMO C[N@@H+](Cc1nc(C(C)(C)C)no1)CC1CCCCC1 ZINC000032769953 368944015 /nfs/dbraw/zinc/94/40/15/368944015.db2.gz YINVLARPDVLJFJ-UHFFFAOYSA-N 1 1 265.401 3.379 50 0 CGAAMO C[N@H+](Cc1nc(C(C)(C)C)no1)CC1CCCCC1 ZINC000032769953 368944020 /nfs/dbraw/zinc/94/40/20/368944020.db2.gz YINVLARPDVLJFJ-UHFFFAOYSA-N 1 1 265.401 3.379 50 0 CGAAMO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000048260469 369339037 /nfs/dbraw/zinc/33/90/37/369339037.db2.gz CSQLTPYKNILWET-SECBINFHSA-N 1 1 269.270 3.279 50 0 CGAAMO C[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000057331554 369534973 /nfs/dbraw/zinc/53/49/73/369534973.db2.gz NPARPGCNYFOZMX-UHFFFAOYSA-N 1 1 295.338 3.131 50 0 CGAAMO O=C(c1cccc2ccccc21)N1CCC[N@H+](C2CC2)CC1 ZINC000058282526 369561650 /nfs/dbraw/zinc/56/16/50/369561650.db2.gz CGPGTHDXMKZPLB-UHFFFAOYSA-N 1 1 294.398 3.150 50 0 CGAAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1O ZINC000064984329 369662461 /nfs/dbraw/zinc/66/24/61/369662461.db2.gz HAOTUZIXUSXAAA-ZDUSSCGKSA-N 1 1 288.347 3.034 50 0 CGAAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1O ZINC000064984329 369662466 /nfs/dbraw/zinc/66/24/66/369662466.db2.gz HAOTUZIXUSXAAA-ZDUSSCGKSA-N 1 1 288.347 3.034 50 0 CGAAMO Fc1ccc(N2CCC[N@H+](C3CCSCC3)CC2)cc1 ZINC000065385732 369671368 /nfs/dbraw/zinc/67/13/68/369671368.db2.gz KTBDHBGKPRWKBW-UHFFFAOYSA-N 1 1 294.439 3.233 50 0 CGAAMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc3ccccc32)C1 ZINC000067642875 369722418 /nfs/dbraw/zinc/72/24/18/369722418.db2.gz VRUZTOUNLBPCBF-HNNXBMFYSA-N 1 1 296.414 3.302 50 0 CGAAMO Cc1nc(C)c(-c2nccn2CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000067446781 369717966 /nfs/dbraw/zinc/71/79/66/369717966.db2.gz AHKAWPJAJPEVFM-ZDUSSCGKSA-N 1 1 290.436 3.108 50 0 CGAAMO Cn1cc(C[N@@H+](C/C=C/c2ccccc2)C2CC2)cn1 ZINC000065397612 369672176 /nfs/dbraw/zinc/67/21/76/369672176.db2.gz NYHDLMUIIIUDLP-VMPITWQZSA-N 1 1 267.376 3.098 50 0 CGAAMO C/C=C(\C)C[N@@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000065395687 369672569 /nfs/dbraw/zinc/67/25/69/369672569.db2.gz HLAOUTDSJJWHGH-JUNHHFQASA-N 1 1 263.356 3.035 50 0 CGAAMO C/C=C(\C)C[N@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000065395687 369672572 /nfs/dbraw/zinc/67/25/72/369672572.db2.gz HLAOUTDSJJWHGH-JUNHHFQASA-N 1 1 263.356 3.035 50 0 CGAAMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C1Cc2ccccc2C1 ZINC000065462645 369677558 /nfs/dbraw/zinc/67/75/58/369677558.db2.gz WLAFXDDTWBPCAW-UHFFFAOYSA-N 1 1 283.419 3.306 50 0 CGAAMO Cc1ccc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)o1 ZINC000067587648 369720981 /nfs/dbraw/zinc/72/09/81/369720981.db2.gz YNNAVNZGGUBLPN-UHFFFAOYSA-N 1 1 281.359 3.406 50 0 CGAAMO Cc1nn(C[N@@H+](CC2CC2)C2CC2)c(C)c1Br ZINC000068618791 369745543 /nfs/dbraw/zinc/74/55/43/369745543.db2.gz JCIABWNTAJTWCG-UHFFFAOYSA-N 1 1 298.228 3.094 50 0 CGAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ncc[nH]1 ZINC000067668282 369723897 /nfs/dbraw/zinc/72/38/97/369723897.db2.gz WWPUNSOFTJRDMA-OAHLLOKOSA-N 1 1 298.434 3.074 50 0 CGAAMO c1cn(CC[N@H+]2CC[C@H](c3ccccc3)C2)c(C2CC2)n1 ZINC000071762153 369808111 /nfs/dbraw/zinc/80/81/11/369808111.db2.gz YRMPVXBMWDSYQN-KRWDZBQOSA-N 1 1 281.403 3.250 50 0 CGAAMO Cc1[nH]c2c(cc(C)cc2CNc2cc(N)[nH+]cn2)c1C ZINC000071762350 369808932 /nfs/dbraw/zinc/80/89/32/369808932.db2.gz GHPHEXXHBHGWDA-UHFFFAOYSA-N 1 1 281.363 3.077 50 0 CGAAMO Cc1[nH]c2c(cc(C)cc2CNc2cc(N)nc[nH+]2)c1C ZINC000071762350 369808935 /nfs/dbraw/zinc/80/89/35/369808935.db2.gz 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/nfs/dbraw/zinc/18/06/88/370180688.db2.gz DASKHSHLBJXFEB-LSDHHAIUSA-N 1 1 291.464 3.006 50 0 CGAAMO C[C@H]1C[C@H](N(C)Cc2cc(F)c(F)cc2F)CC[N@H+]1C ZINC000093644946 370153608 /nfs/dbraw/zinc/15/36/08/370153608.db2.gz NDYDITFXUMLQSD-CMPLNLGQSA-N 1 1 286.341 3.018 50 0 CGAAMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000095459151 370198427 /nfs/dbraw/zinc/19/84/27/370198427.db2.gz UCZMUBNNVLLJJI-APIJFGDWSA-N 1 1 266.429 3.039 50 0 CGAAMO COC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2n1C ZINC000097711701 370252077 /nfs/dbraw/zinc/25/20/77/370252077.db2.gz IWADIFYPLGYLHY-OAHLLOKOSA-N 1 1 272.392 3.179 50 0 CGAAMO C[C@H](C[N@H+]1CC[C@H](Oc2ccncc2)C1)c1ccccc1 ZINC000131927034 371140704 /nfs/dbraw/zinc/14/07/04/371140704.db2.gz CADOTINMNIQEPF-QAPCUYQASA-N 1 1 282.387 3.338 50 0 CGAAMO C[C@@H](CN(C)CC[C@H]1CCCC[N@H+]1C)c1nccs1 ZINC000344371248 217171673 /nfs/dbraw/zinc/17/16/73/217171673.db2.gz FLWZGJUBMGLTBT-UONOGXRCSA-N 1 1 281.469 3.053 50 0 CGAAMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(F)cn1 ZINC000170605159 372642055 /nfs/dbraw/zinc/64/20/55/372642055.db2.gz PJKPKQISZJLELO-UHFFFAOYSA-N 1 1 296.292 3.454 50 0 CGAAMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(F)cn1 ZINC000170605159 372642061 /nfs/dbraw/zinc/64/20/61/372642061.db2.gz PJKPKQISZJLELO-UHFFFAOYSA-N 1 1 296.292 3.454 50 0 CGAAMO Cc1ccn(CC[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000299784578 373612413 /nfs/dbraw/zinc/61/24/13/373612413.db2.gz MLAUHXMNJODCSN-INIZCTEOSA-N 1 1 255.365 3.029 50 0 CGAAMO Fc1cccc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c1 ZINC000084610097 541934299 /nfs/dbraw/zinc/93/42/99/541934299.db2.gz XQKBZBMCFZYOMG-KRWDZBQOSA-N 1 1 286.350 3.012 50 0 CGAAMO CCC[C@H]([NH2+]Cc1nnc2ccccn21)c1ccsc1 ZINC000187909868 375113790 /nfs/dbraw/zinc/11/37/90/375113790.db2.gz QFDXSCUHWQYRCG-ZDUSSCGKSA-N 1 1 286.404 3.422 50 0 CGAAMO c1cc(OCC2CC2)ccc1C[N@@H+]1CCOCC12CCC2 ZINC000191380373 375620886 /nfs/dbraw/zinc/62/08/86/375620886.db2.gz MDVZNEDXGNKTCF-UHFFFAOYSA-N 1 1 287.403 3.230 50 0 CGAAMO c1cc(OCC2CC2)ccc1C[N@H+]1CCOCC12CCC2 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290.366 3.409 50 0 biogenic CGAAMO Nc1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000039381935 369151012 /nfs/dbraw/zinc/15/10/12/369151012.db2.gz LKCLUVMTZWCXTC-UHFFFAOYSA-N 1 1 295.430 3.023 50 0 CGAAMO C[C@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000049595612 369412749 /nfs/dbraw/zinc/41/27/49/369412749.db2.gz CXTYTAAAWKRHNR-NSHDSACASA-N 1 1 284.197 3.170 50 0 CGAAMO Fc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000055544082 369520328 /nfs/dbraw/zinc/52/03/28/369520328.db2.gz QQPLTCBYIBQUDL-UHFFFAOYSA-N 1 1 288.341 3.287 50 0 CGAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2F)C1 ZINC000058168608 369557181 /nfs/dbraw/zinc/55/71/81/369557181.db2.gz YKKKQWUPUOQTSB-CYBMUJFWSA-N 1 1 293.386 3.068 50 0 CGAAMO CC(C)CCC[C@H]1C[N@H+](C2CCSCC2)CCO1 ZINC000065410303 369674356 /nfs/dbraw/zinc/67/43/56/369674356.db2.gz APRZYERFFWMADF-HNNXBMFYSA-N 1 1 271.470 3.409 50 0 CGAAMO C[C@@H]1C[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C(=O)O1 ZINC000066606975 369697384 /nfs/dbraw/zinc/69/73/84/369697384.db2.gz 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CCCn1nc(C)c(C[N@H+]2CCC[C@@H]2CSC)c1C ZINC000093760671 370155862 /nfs/dbraw/zinc/15/58/62/370155862.db2.gz DJPJPIQNQPHBFC-CQSZACIVSA-N 1 1 281.469 3.237 50 0 CGAAMO c1coc(C[N@@H+](Cc2cccnc2)CC2CCOCC2)c1 ZINC000097080439 370222592 /nfs/dbraw/zinc/22/25/92/370222592.db2.gz WEZKTUANXRUEJV-UHFFFAOYSA-N 1 1 286.375 3.103 50 0 CGAAMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000097086210 370223386 /nfs/dbraw/zinc/22/33/86/370223386.db2.gz CTLPTMGPTCPZJP-NSHDSACASA-N 1 1 290.338 3.089 50 0 CGAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cncnc2)cc1C ZINC000097108658 370226507 /nfs/dbraw/zinc/22/65/07/370226507.db2.gz VEFSPNZBVRWNSA-MRXNPFEDSA-N 1 1 283.375 3.131 50 0 CGAAMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ncc(C(C)(C)C)o1 ZINC000097111675 370227931 /nfs/dbraw/zinc/22/79/31/370227931.db2.gz CCWKOWRGEQUGTL-SRVKXCTJSA-N 1 1 266.385 3.190 50 0 CGAAMO C[N@@H+](CCc1ccccn1)C[C@H]1CCOc2ccccc2C1 ZINC000095497782 370199448 /nfs/dbraw/zinc/19/94/48/370199448.db2.gz RTWDLCODONEOCR-INIZCTEOSA-N 1 1 296.414 3.197 50 0 CGAAMO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1coc(C(C)C)n1 ZINC000097713452 370252095 /nfs/dbraw/zinc/25/20/95/370252095.db2.gz NWHIJYXMVWLMDK-UHFFFAOYSA-N 1 1 290.411 3.203 50 0 CGAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1coc(C(C)C)n1 ZINC000097713452 370252101 /nfs/dbraw/zinc/25/21/01/370252101.db2.gz NWHIJYXMVWLMDK-UHFFFAOYSA-N 1 1 290.411 3.203 50 0 CGAAMO C[C@@H](C[N@H+]1CC[C@H](Oc2ccncc2)C1)c1ccccc1 ZINC000131926832 371140222 /nfs/dbraw/zinc/14/02/22/371140222.db2.gz CADOTINMNIQEPF-YJBOKZPZSA-N 1 1 282.387 3.338 50 0 CGAAMO C[C@H](c1ccc(-c2ncccc2F)cc1)[NH+]1CCOCC1 ZINC000426689872 372169080 /nfs/dbraw/zinc/16/90/80/372169080.db2.gz NWNJGFKPOGNWRV-CYBMUJFWSA-N 1 1 286.350 3.281 50 0 CGAAMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(O)c2)C1 ZINC000170606873 372641818 /nfs/dbraw/zinc/64/18/18/372641818.db2.gz DVWLMVVZBFDJHT-GUYCJALGSA-N 1 1 268.360 3.370 50 0 CGAAMO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000075094597 541907441 /nfs/dbraw/zinc/90/74/41/541907441.db2.gz 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/nfs/dbraw/zinc/15/03/32/369150332.db2.gz JFEMCXQHGFPPDW-KRWDZBQOSA-N 1 1 296.414 3.001 50 0 CGAAMO C[N@H+](Cc1ccccc1Cl)C[C@H]1CCCCO1 ZINC000042977851 369239842 /nfs/dbraw/zinc/23/98/42/369239842.db2.gz IADIMGRZJRUMKN-CYBMUJFWSA-N 1 1 253.773 3.341 50 0 CGAAMO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058299341 369562953 /nfs/dbraw/zinc/56/29/53/369562953.db2.gz WTVDRYUFLSNQMS-ZIAGYGMSSA-N 1 1 294.464 3.122 50 0 CGAAMO CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000060366574 369586244 /nfs/dbraw/zinc/58/62/44/369586244.db2.gz MHPBNHQZSTZDFR-ZDUSSCGKSA-N 1 1 289.354 3.465 50 0 CGAAMO COc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1 ZINC000069749537 369769268 /nfs/dbraw/zinc/76/92/68/369769268.db2.gz VUUHVHLJSNMWIZ-UHFFFAOYSA-N 1 1 293.313 3.272 50 0 CGAAMO Cc1ccc2nc(CCC[NH2+][C@@H]3CCSC3)[nH]c2c1C ZINC000067691423 369725439 /nfs/dbraw/zinc/72/54/39/369725439.db2.gz ZVCOUSKGODAPDC-CYBMUJFWSA-N 1 1 289.448 3.207 50 0 CGAAMO CO[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000069918652 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369914172 /nfs/dbraw/zinc/91/41/72/369914172.db2.gz OFQWUMOGPHPDPD-UHFFFAOYSA-N 1 1 298.814 3.027 50 0 CGAAMO CCCCOCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000075572706 369914177 /nfs/dbraw/zinc/91/41/77/369914177.db2.gz OFQWUMOGPHPDPD-UHFFFAOYSA-N 1 1 298.814 3.027 50 0 CGAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC000075675372 369915275 /nfs/dbraw/zinc/91/52/75/369915275.db2.gz JHACVAXQVDDOAV-HNNXBMFYSA-N 1 1 286.375 3.199 50 0 CGAAMO Cc1cccc([C@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000075738319 369917898 /nfs/dbraw/zinc/91/78/98/369917898.db2.gz UAZITUQQRCDWGP-RDJZCZTQSA-N 1 1 286.419 3.143 50 0 CGAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCCCO)c1 ZINC000083925553 370010696 /nfs/dbraw/zinc/01/06/96/370010696.db2.gz RIBJKKJQUBDZQH-MRXNPFEDSA-N 1 1 293.407 3.003 50 0 CGAAMO CCc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)o1 ZINC000090532262 370062145 /nfs/dbraw/zinc/06/21/45/370062145.db2.gz AEHDOJTUQAXDDM-ZYHUDNBSSA-N 1 1 261.369 3.155 50 0 CGAAMO 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CC[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC ZINC000107061464 186158210 /nfs/dbraw/zinc/15/82/10/186158210.db2.gz WGKLLQXRKXICDK-WBVHZDCISA-N 1 1 288.435 3.156 50 0 CGAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000107145217 186160754 /nfs/dbraw/zinc/16/07/54/186160754.db2.gz UWIPTTVWJDUJIV-HZPDHXFCSA-N 1 1 292.448 3.361 50 0 CGAAMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154888066 188168515 /nfs/dbraw/zinc/16/85/15/188168515.db2.gz SFLMJOHTRIIIBP-QGZVFWFLSA-N 1 1 298.434 3.113 50 0 CGAAMO COc1cccc(C[N@@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183971389 189373114 /nfs/dbraw/zinc/37/31/14/189373114.db2.gz GQRXTOPJHGCZHP-LBPRGKRZSA-N 1 1 276.405 3.387 50 0 CGAAMO Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000450760134 240076883 /nfs/dbraw/zinc/07/68/83/240076883.db2.gz LFPWPPHQNVGYHY-OAHLLOKOSA-N 1 1 265.784 3.259 50 0 CGAAMO Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000450760134 240076888 /nfs/dbraw/zinc/07/68/88/240076888.db2.gz LFPWPPHQNVGYHY-OAHLLOKOSA-N 1 1 265.784 3.259 50 0 CGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000176643 368309696 /nfs/dbraw/zinc/30/96/96/368309696.db2.gz SZRQXUGRQPIDLF-BETUJISGSA-N 1 1 278.371 3.132 50 0 CGAAMO C[C@@H](C[N@@H+](C)CCc1ccccn1)c1ccccc1 ZINC000000183100 368310254 /nfs/dbraw/zinc/31/02/54/368310254.db2.gz JMUPJFPFAHYZEU-HNNXBMFYSA-N 1 1 254.377 3.360 50 0 CGAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCc2ccccc2C1 ZINC000000757795 368393409 /nfs/dbraw/zinc/39/34/09/368393409.db2.gz UGTTZLWFRZDNMP-GOSISDBHSA-N 1 1 266.388 3.113 50 0 CGAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000001462636 368416038 /nfs/dbraw/zinc/41/60/38/368416038.db2.gz RRXRGGDXVXFXRD-BBWFWOEESA-N 1 1 291.435 3.306 50 0 CGAAMO COc1cccc(C(=O)c2ccccc2C[NH+]2CCC2)c1 ZINC000002515599 368459042 /nfs/dbraw/zinc/45/90/42/368459042.db2.gz SKDBWXKRNIMFCV-UHFFFAOYSA-N 1 1 281.355 3.132 50 0 CGAAMO CCCN1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004010985 368525430 /nfs/dbraw/zinc/52/54/30/368525430.db2.gz 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ZINC000825725035 800475936 /nfs/dbraw/zinc/47/59/36/800475936.db2.gz ZWCIOGIHICBMRE-LBPRGKRZSA-N 1 1 267.319 3.103 50 0 CGAAMO CC(C)Cn1cncc1C[NH2+]Cc1ccc(Cl)o1 ZINC001506404517 937989568 /nfs/dbraw/zinc/98/95/68/937989568.db2.gz DYJBFUJCNOFTQT-UHFFFAOYSA-N 1 1 267.760 3.075 50 0 CGAAMO Cn1nccc1C[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC001529152000 938071262 /nfs/dbraw/zinc/07/12/62/938071262.db2.gz IRFDMQHZQBQKBI-VMPITWQZSA-N 1 1 267.376 3.098 50 0 CGAAMO Cn1nccc1C[N@@H+](C/C=C/c1ccccc1)C1CC1 ZINC001529152000 938071263 /nfs/dbraw/zinc/07/12/63/938071263.db2.gz IRFDMQHZQBQKBI-VMPITWQZSA-N 1 1 267.376 3.098 50 0 CGAAMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OC ZINC000002578309 230367279 /nfs/dbraw/zinc/36/72/79/230367279.db2.gz ITRMJOZSYTVDNL-UHFFFAOYSA-N 1 1 287.359 3.002 50 0 CGAAMO Cc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)on1 ZINC000095954918 185042122 /nfs/dbraw/zinc/04/21/22/185042122.db2.gz MURWYRZZSWOYOP-UHFFFAOYSA-N 1 1 272.348 3.026 50 0 CGAAMO C[C@H]1C[N@H+]([C@H]2C=CCCC2)CCN1[C@H]1C=CCCC1 ZINC000071907859 345405635 /nfs/dbraw/zinc/40/56/35/345405635.db2.gz WMMCZZMVJCNODN-ULQDDVLXSA-N 1 1 260.425 3.210 50 0 CGAAMO C[C@H]1CN([C@H]2C=CCCC2)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000071907859 345405638 /nfs/dbraw/zinc/40/56/38/345405638.db2.gz WMMCZZMVJCNODN-ULQDDVLXSA-N 1 1 260.425 3.210 50 0 CGAAMO C[C@H]1CN([C@H]2C=CCCC2)CC[N@H+]1[C@H]1C=CCCC1 ZINC000071907859 345405641 /nfs/dbraw/zinc/40/56/41/345405641.db2.gz WMMCZZMVJCNODN-ULQDDVLXSA-N 1 1 260.425 3.210 50 0 CGAAMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)[C@H](C)n1cccn1 ZINC000072269772 345408029 /nfs/dbraw/zinc/40/80/29/345408029.db2.gz RTWAXXSUISEMNW-KGLIPLIRSA-N 1 1 296.374 3.277 50 0 CGAAMO CCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000096026357 345901230 /nfs/dbraw/zinc/90/12/30/345901230.db2.gz LBCDCBMJWMCPNG-OAHLLOKOSA-N 1 1 261.365 3.167 50 0 CGAAMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000096026511 345901980 /nfs/dbraw/zinc/90/19/80/345901980.db2.gz ZKLHFLNDKHNOSE-KXBFYZLASA-N 1 1 297.398 3.313 50 0 CGAAMO CC(C)c1[nH+]ccn1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000097236158 345907787 /nfs/dbraw/zinc/90/77/87/345907787.db2.gz DBXJTVXPZPGIMX-UHFFFAOYSA-N 1 1 297.402 3.291 50 0 CGAAMO CCC[N@H+]1CCCC[C@H]1c1nncn1-c1ccccc1 ZINC000097941592 345909412 /nfs/dbraw/zinc/90/94/12/345909412.db2.gz PNNDZLVQHDTLID-HNNXBMFYSA-N 1 1 270.380 3.204 50 0 CGAAMO C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170607485 346194900 /nfs/dbraw/zinc/19/49/00/346194900.db2.gz UHVIJHIHMJUMTK-JJXSEGSLSA-N 1 1 293.451 3.224 50 0 CGAAMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1O ZINC000194992256 346272019 /nfs/dbraw/zinc/27/20/19/346272019.db2.gz JGRMUGFLDRYDSS-XJKSGUPXSA-N 1 1 298.386 3.379 50 0 CGAAMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cccnc2CO)c1 ZINC000585133977 346724186 /nfs/dbraw/zinc/72/41/86/346724186.db2.gz PMMGLYWSKCTJPT-AWEZNQCLSA-N 1 1 282.387 3.225 50 0 CGAAMO C[C@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1cn(C)nn1 ZINC000585134627 346724291 /nfs/dbraw/zinc/72/42/91/346724291.db2.gz COAVCXWSCNYYOI-XJKSGUPXSA-N 1 1 284.407 3.397 50 0 CGAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)cc1Cl)C2 ZINC000091848721 180271044 /nfs/dbraw/zinc/27/10/44/180271044.db2.gz TXSZOFFSZCDFMZ-SMDDNHRTSA-N 1 1 282.790 3.005 50 0 CGAAMO Cc1ccc[nH+]c1NCc1cnn(-c2ccc(F)cc2)c1 ZINC000130980163 187534219 /nfs/dbraw/zinc/53/42/19/187534219.db2.gz SSBAFDGPURIFHX-UHFFFAOYSA-N 1 1 282.322 3.327 50 0 CGAAMO Cc1cccc(NCc2ccn(-c3ccc(F)cc3)n2)[nH+]1 ZINC000158287213 188367773 /nfs/dbraw/zinc/36/77/73/188367773.db2.gz XCIAWFIPBBZFMQ-UHFFFAOYSA-N 1 1 282.322 3.327 50 0 CGAAMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940968 235776675 /nfs/dbraw/zinc/77/66/75/235776675.db2.gz FAUVIRFFLISGMS-GFCCVEGCSA-N 1 1 289.345 3.201 50 0 CGAAMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCn1ccnc1 ZINC000182784360 189334807 /nfs/dbraw/zinc/33/48/07/189334807.db2.gz JEQRKGAZQHWRDD-WBVHZDCISA-N 1 1 269.392 3.151 50 0 CGAAMO Brc1ccc(C[NH+]2CCCCCC2)o1 ZINC000000207545 368315316 /nfs/dbraw/zinc/31/53/16/368315316.db2.gz ZFXUENVOODEVGK-UHFFFAOYSA-N 1 1 258.159 3.418 50 0 CGAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3C)c2cc1O ZINC000002123702 368447015 /nfs/dbraw/zinc/44/70/15/368447015.db2.gz RQUGNXHNRZZRAX-GFCCVEGCSA-N 1 1 287.359 3.181 50 0 biogenic CGAAMO COc1ccc(C(=O)c2cccc(C[NH+]3CC=CC3)c2)cc1 ZINC000002515382 368459054 /nfs/dbraw/zinc/45/90/54/368459054.db2.gz IYEHCYFGGBICIG-UHFFFAOYSA-N 1 1 293.366 3.298 50 0 CGAAMO O=C(C[NH+]1CCCCC1)Nc1ccccc1C(F)(F)F ZINC000002880999 368483968 /nfs/dbraw/zinc/48/39/68/368483968.db2.gz MKKNDEVDYZLWCK-UHFFFAOYSA-N 1 1 286.297 3.130 50 0 CGAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000004525060 368549878 /nfs/dbraw/zinc/54/98/78/368549878.db2.gz OCFLFQDQCLZABG-FMKPAKJESA-N 1 1 275.392 3.351 50 0 CGAAMO C[C@@H](CC(=O)Nc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000004579029 368551470 /nfs/dbraw/zinc/55/14/70/368551470.db2.gz ZJMPXXSPWMRTMS-KGLIPLIRSA-N 1 1 260.381 3.278 50 0 CGAAMO Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000007811608 368572014 /nfs/dbraw/zinc/57/20/14/368572014.db2.gz PENUHVRODHXGRI-OKILXGFUSA-N 1 1 274.408 3.220 50 0 CGAAMO Fc1cccc(CC[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000011936596 368601359 /nfs/dbraw/zinc/60/13/59/368601359.db2.gz WRBGXZILUDVGEP-HNNXBMFYSA-N 1 1 287.382 3.394 50 0 CGAAMO Fc1cccc(CC[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)c1 ZINC000011936596 368601365 /nfs/dbraw/zinc/60/13/65/368601365.db2.gz WRBGXZILUDVGEP-HNNXBMFYSA-N 1 1 287.382 3.394 50 0 CGAAMO Fc1cccc(CC[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000011936596 368601370 /nfs/dbraw/zinc/60/13/70/368601370.db2.gz WRBGXZILUDVGEP-HNNXBMFYSA-N 1 1 287.382 3.394 50 0 CGAAMO Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000012916739 368634893 /nfs/dbraw/zinc/63/48/93/368634893.db2.gz RBOCPGIBDCJHPC-AWEZNQCLSA-N 1 1 287.363 3.012 50 0 CGAAMO Cc1ccc(C(C)C)cc1OCCC[NH+]1CCOCC1 ZINC000020118209 368803586 /nfs/dbraw/zinc/80/35/86/368803586.db2.gz TVHNWDDRKFCCEX-UHFFFAOYSA-N 1 1 277.408 3.220 50 0 CGAAMO C(C1CCCCC1)[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000020906899 368808548 /nfs/dbraw/zinc/80/85/48/368808548.db2.gz QTVQBXQKRJVCNJ-INIZCTEOSA-N 1 1 250.430 3.127 50 0 CGAAMO Cc1n[nH]c(C)c1C[N@@H+](C)CCCCc1ccccc1 ZINC000019958411 368789381 /nfs/dbraw/zinc/78/93/81/368789381.db2.gz DBBQBIMDNKIAGN-UHFFFAOYSA-N 1 1 271.408 3.481 50 0 CGAAMO CSCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000020013803 368793092 /nfs/dbraw/zinc/79/30/92/368793092.db2.gz YQHLVXDBFFMMQP-SNVBAGLBSA-N 1 1 283.784 3.143 50 0 CGAAMO COC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000032207060 368929199 /nfs/dbraw/zinc/92/91/99/368929199.db2.gz GBJQFXRPQYYFOX-UHFFFAOYSA-N 1 1 253.345 3.107 50 0 CGAAMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036096871 369008738 /nfs/dbraw/zinc/00/87/38/369008738.db2.gz QMMDUSWCLCHSAN-GOSISDBHSA-N 1 1 299.414 3.337 50 0 CGAAMO NC(=O)[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000041887103 369197693 /nfs/dbraw/zinc/19/76/93/369197693.db2.gz XXEODGVPXOVPEC-ZBFHGGJFSA-N 1 1 298.411 3.040 50 0 CGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049590123 369411257 /nfs/dbraw/zinc/41/12/57/369411257.db2.gz ZSIJQKNFGDQLHE-QGZVFWFLSA-N 1 1 282.387 3.054 50 0 CGAAMO C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCCO1 ZINC000052102391 369464548 /nfs/dbraw/zinc/46/45/48/369464548.db2.gz XLLRBGMIJHOQOA-OAHLLOKOSA-N 1 1 290.338 3.092 50 0 CGAAMO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCCO1 ZINC000052102391 369464554 /nfs/dbraw/zinc/46/45/54/369464554.db2.gz XLLRBGMIJHOQOA-OAHLLOKOSA-N 1 1 290.338 3.092 50 0 CGAAMO CCC[N@H+](CC=C(C)C)CC(=O)Nc1ccccc1OC ZINC000052928225 369474980 /nfs/dbraw/zinc/47/49/80/369474980.db2.gz WTBZPFMRJGADKW-UHFFFAOYSA-N 1 1 290.407 3.312 50 0 CGAAMO CCC[N@@H+](CC=C(C)C)CC(=O)Nc1ccccc1OC ZINC000052928225 369474986 /nfs/dbraw/zinc/47/49/86/369474986.db2.gz WTBZPFMRJGADKW-UHFFFAOYSA-N 1 1 290.407 3.312 50 0 CGAAMO CC(C)C[N@@H+](Cc1ccccn1)Cc1cccc2c1OCO2 ZINC000055282439 369513455 /nfs/dbraw/zinc/51/34/55/369513455.db2.gz IFECZKWFGZNKIJ-UHFFFAOYSA-N 1 1 298.386 3.469 50 0 CGAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000056503213 369526216 /nfs/dbraw/zinc/52/62/16/369526216.db2.gz WVXBPBROOHOSGF-CHWSQXEVSA-N 1 1 293.386 3.068 50 0 CGAAMO Clc1ccc(CN2CCC[N@H+](C3CC3)CC2)cc1 ZINC000058405009 369567636 /nfs/dbraw/zinc/56/76/36/369567636.db2.gz ZAFQJTKCXQAWKZ-UHFFFAOYSA-N 1 1 264.800 3.010 50 0 CGAAMO CCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065286097 369666953 /nfs/dbraw/zinc/66/69/53/369666953.db2.gz VPFYNEJUYJGGPQ-CYBMUJFWSA-N 1 1 272.352 3.069 50 0 CGAAMO CCc1[nH+]ccn1-c1ccc(-c2csc(N)n2)cc1 ZINC000065382043 369671446 /nfs/dbraw/zinc/67/14/46/369671446.db2.gz NXQPORCTEBQWRZ-UHFFFAOYSA-N 1 1 270.361 3.140 50 0 CGAAMO c1ccc2cc(CN3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000067489691 369718426 /nfs/dbraw/zinc/71/84/26/369718426.db2.gz BUSPMALNNPHGDE-IBGZPJMESA-N 1 1 280.415 3.415 50 0 CGAAMO Cc1nc[nH]c1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000065394110 369672603 /nfs/dbraw/zinc/67/26/03/369672603.db2.gz GYPMIWKMSKYVTA-MRXNPFEDSA-N 1 1 255.365 3.228 50 0 CGAAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2cccs2)C1 ZINC000065396794 369672819 /nfs/dbraw/zinc/67/28/19/369672819.db2.gz DOWUFGIJFJKUBL-MRXNPFEDSA-N 1 1 273.401 3.150 50 0 CGAAMO C[C@H](Cc1ccccn1)[N@@H+](C)C1Cc2ccccc2C1 ZINC000065399352 369674717 /nfs/dbraw/zinc/67/47/17/369674717.db2.gz PLGDCVKNZAHKTK-CQSZACIVSA-N 1 1 266.388 3.112 50 0 CGAAMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065426605 369676077 /nfs/dbraw/zinc/67/60/77/369676077.db2.gz JTVRTOVYXHMNBA-HNNXBMFYSA-N 1 1 292.386 3.460 50 0 CGAAMO Fc1cccc(C[C@@H]2C[N@H+](Cc3cccs3)CCO2)c1 ZINC000065455830 369677867 /nfs/dbraw/zinc/67/78/67/369677867.db2.gz RTOIDCPQZGJJSW-OAHLLOKOSA-N 1 1 291.391 3.331 50 0 CGAAMO Fc1cccc(C[C@@H]2C[N@@H+](Cc3cccs3)CCO2)c1 ZINC000065455830 369677871 /nfs/dbraw/zinc/67/78/71/369677871.db2.gz RTOIDCPQZGJJSW-OAHLLOKOSA-N 1 1 291.391 3.331 50 0 CGAAMO COc1cccc2cc(C[NH2+]Cc3c(C)noc3C)oc21 ZINC000065475987 369679022 /nfs/dbraw/zinc/67/90/22/369679022.db2.gz PZTUOLCZDZEQOV-UHFFFAOYSA-N 1 1 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3.260 50 0 CGAAMO COc1ccccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000071857748 176278796 /nfs/dbraw/zinc/27/87/96/176278796.db2.gz HAIKMEIYQKTKDW-UHFFFAOYSA-N 1 1 268.360 3.255 50 0 CGAAMO COc1ccccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000071857748 176278798 /nfs/dbraw/zinc/27/87/98/176278798.db2.gz HAIKMEIYQKTKDW-UHFFFAOYSA-N 1 1 268.360 3.255 50 0 CGAAMO Cc1ccc2c(C[N@@H+]3CCCn4cncc4C3)c[nH]c2c1 ZINC000072135227 176322394 /nfs/dbraw/zinc/32/23/94/176322394.db2.gz XJRRUJCSTGMXPV-UHFFFAOYSA-N 1 1 280.375 3.079 50 0 CGAAMO Cc1ccc2c(C[N@H+]3CCCn4cncc4C3)c[nH]c2c1 ZINC000072135227 176322395 /nfs/dbraw/zinc/32/23/95/176322395.db2.gz XJRRUJCSTGMXPV-UHFFFAOYSA-N 1 1 280.375 3.079 50 0 CGAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccnc3ccccc23)C1 ZINC000072167434 176331468 /nfs/dbraw/zinc/33/14/68/176331468.db2.gz JPIQRWVZXGDMEP-OAHLLOKOSA-N 1 1 295.430 3.293 50 0 CGAAMO CC(C)[N@H+]1CCC[C@@H](Cc2nccnc2Cl)CC1 ZINC000072343852 176371979 /nfs/dbraw/zinc/37/19/79/176371979.db2.gz IDBDUZCSPKGXML-GFCCVEGCSA-N 1 1 267.804 3.183 50 0 CGAAMO C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 ZINC000072409038 176398244 /nfs/dbraw/zinc/39/82/44/176398244.db2.gz FICPNLRJHBZZDH-UHFFFAOYSA-N 1 1 298.430 3.417 50 0 CGAAMO CS[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000048940784 416462579 /nfs/dbraw/zinc/46/25/79/416462579.db2.gz WCKSVNPNYPATIP-VIFPVBQESA-N 1 1 293.367 3.010 50 0 CGAAMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C(F)F)nc1 ZINC000657975926 419475392 /nfs/dbraw/zinc/47/53/92/419475392.db2.gz IEFYDTNHQLWASG-RNCFNFMXSA-N 1 1 298.358 3.465 50 0 CGAAMO COC(=O)c1cccc(Nc2[nH]c3ccccc3[nH+]2)c1 ZINC000041598206 260184648 /nfs/dbraw/zinc/18/46/48/260184648.db2.gz QGFLSKSCRXMTQO-UHFFFAOYSA-N 1 1 267.288 3.093 50 0 CGAAMO C[NH+]1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000027304184 273896734 /nfs/dbraw/zinc/89/67/34/273896734.db2.gz DHRIRNHMKXDGPC-UHFFFAOYSA-N 1 1 293.370 3.118 50 0 CGAAMO C[C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CCO1 ZINC000048562214 274345185 /nfs/dbraw/zinc/34/51/85/274345185.db2.gz CTWWDEGUTRLWKZ-CYBMUJFWSA-N 1 1 265.356 3.477 50 0 CGAAMO CCN1CCC[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000032565269 276176027 /nfs/dbraw/zinc/17/60/27/276176027.db2.gz JODIUSQJXNIDLQ-SJORKVTESA-N 1 1 264.457 3.373 50 0 CGAAMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000395323871 288008249 /nfs/dbraw/zinc/00/82/49/288008249.db2.gz NTHLHBFDYGWJRA-CYBMUJFWSA-N 1 1 285.790 3.462 50 0 CGAAMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C1 ZINC000096441606 534110513 /nfs/dbraw/zinc/11/05/13/534110513.db2.gz RZHVIKWGYOJOCS-CVEARBPZSA-N 1 1 292.448 3.361 50 0 CGAAMO OCCC[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000052685556 527541390 /nfs/dbraw/zinc/54/13/90/527541390.db2.gz SPGMUQVYNVHRCW-MRXNPFEDSA-N 1 1 273.401 3.078 50 0 CGAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccn2)C1 ZINC000096441698 529221633 /nfs/dbraw/zinc/22/16/33/529221633.db2.gz BONGIWSGQOJMKQ-UONOGXRCSA-N 1 1 250.411 3.188 50 0 CGAAMO CC[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CC1)[N@@H+](C)CC ZINC000952967887 615379975 /nfs/dbraw/zinc/37/99/75/615379975.db2.gz 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/nfs/dbraw/zinc/44/86/86/619448686.db2.gz MATBPUPCOXWMJM-ZDUSSCGKSA-N 1 1 280.437 3.248 50 0 CGAAMO COc1cc(OC)cc([C@@H]2CC[N@H+](C3CCC3)C2)c1 ZINC000179583524 624665714 /nfs/dbraw/zinc/66/57/14/624665714.db2.gz LFPIRUBMYZTWNQ-GFCCVEGCSA-N 1 1 261.365 3.046 50 0 CGAAMO CCC[C@]1(CO)CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000808796802 630679055 /nfs/dbraw/zinc/67/90/55/630679055.db2.gz RHWZFDQJMCYPQA-SFHVURJKSA-N 1 1 291.435 3.167 50 0 CGAAMO CC(C)(C)C[C@@H]([NH2+]Cc1c[nH]cn1)c1cccnc1 ZINC000952970960 636775411 /nfs/dbraw/zinc/77/54/11/636775411.db2.gz WPMGMRGCJANJTN-CQSZACIVSA-N 1 1 258.369 3.072 50 0 CGAAMO CCCSc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000822995973 800465375 /nfs/dbraw/zinc/46/53/75/800465375.db2.gz DRZNHAHGMYKNRE-GFCCVEGCSA-N 1 1 278.421 3.079 50 0 CGAAMO CC(C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)s1 ZINC000823709246 800468567 /nfs/dbraw/zinc/46/85/67/800468567.db2.gz QMRYJNBOBUTNSR-ZDUSSCGKSA-N 1 1 267.438 3.415 50 0 CGAAMO CC(C)(C)[N@H+]1CC[C@H](CNc2nncc3ccccc32)C1 ZINC000821740599 928076210 /nfs/dbraw/zinc/07/62/10/928076210.db2.gz VQLVZJMCNNPAEZ-CYBMUJFWSA-N 1 1 284.407 3.162 50 0 CGAAMO CC(C)[N@@H+](C)C[C@@H](C)N(C)Cc1cccc2cnccc21 ZINC001506400648 937989521 /nfs/dbraw/zinc/98/95/21/937989521.db2.gz GHVMLHXEGLTLBA-OAHLLOKOSA-N 1 1 285.435 3.395 50 0 CGAAMO CC(C)N(C)C[C@@H](C)[N@H+](C)Cc1cccc2cnccc21 ZINC001506400648 937989522 /nfs/dbraw/zinc/98/95/22/937989522.db2.gz GHVMLHXEGLTLBA-OAHLLOKOSA-N 1 1 285.435 3.395 50 0 CGAAMO CC(C)N(C)C[C@@H](C)[N@@H+](C)Cc1cccc2cnccc21 ZINC001506400648 937989523 /nfs/dbraw/zinc/98/95/23/937989523.db2.gz GHVMLHXEGLTLBA-OAHLLOKOSA-N 1 1 285.435 3.395 50 0 CGAAMO O=C1CC[C@@H]([N@H+]2CCC3(CCCC3)C2)CCN1CC1CC1 ZINC001506398998 937989711 /nfs/dbraw/zinc/98/97/11/937989711.db2.gz VKLUDNPRJYVMOO-MRXNPFEDSA-N 1 1 290.451 3.044 50 0 CGAAMO OCC[C@H]1CCC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000097743389 230387498 /nfs/dbraw/zinc/38/74/98/230387498.db2.gz AABQBUNFYDJPBT-MRXNPFEDSA-N 1 1 289.419 3.355 50 0 CGAAMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000095977320 185052097 /nfs/dbraw/zinc/05/20/97/185052097.db2.gz SSWYLZWGXASODA-INIZCTEOSA-N 1 1 283.375 3.103 50 0 CGAAMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000095977320 185052099 /nfs/dbraw/zinc/05/20/99/185052099.db2.gz SSWYLZWGXASODA-INIZCTEOSA-N 1 1 283.375 3.103 50 0 CGAAMO Cc1nnc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)s1 ZINC000095987482 185056309 /nfs/dbraw/zinc/05/63/09/185056309.db2.gz WIJNTQQKLUWKHA-CQSZACIVSA-N 1 1 277.368 3.227 50 0 CGAAMO c1csc([C@@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000095987162 185056688 /nfs/dbraw/zinc/05/66/88/185056688.db2.gz PWEXFJIRCZXTJQ-ZDUSSCGKSA-N 1 1 261.394 3.172 50 0 CGAAMO Clc1ccc(-c2noc(C[NH+]3CCCCC3)n2)cc1 ZINC000001872267 344856495 /nfs/dbraw/zinc/85/64/95/344856495.db2.gz ZUFSDFSKQNAXID-UHFFFAOYSA-N 1 1 277.755 3.376 50 0 in-vitro CGAAMO CCCC[N@H+]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000065286674 345271432 /nfs/dbraw/zinc/27/14/32/345271432.db2.gz VUZDNUYNQJWJBK-ZDUSSCGKSA-N 1 1 272.352 3.069 50 0 CGAAMO Fc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000072979912 345425272 /nfs/dbraw/zinc/42/52/72/345425272.db2.gz JWTWZKIHSCMLKF-UHFFFAOYSA-N 1 1 256.324 3.385 50 0 CGAAMO Cc1ncsc1C[N@@H+](C)C[C@@H](O)c1cc(C)ccc1C ZINC000075719550 345520488 /nfs/dbraw/zinc/52/04/88/345520488.db2.gz IZQVRKKWGSZNTR-OAHLLOKOSA-N 1 1 290.432 3.234 50 0 CGAAMO C[C@H](SCCCN1CC[NH+](C)CC1)c1cccs1 ZINC000097098679 345906630 /nfs/dbraw/zinc/90/66/30/345906630.db2.gz QVULEHJDUBSLRZ-ZDUSSCGKSA-N 1 1 284.494 3.180 50 0 CGAAMO CC(C)[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCC1 ZINC000170637222 346195987 /nfs/dbraw/zinc/19/59/87/346195987.db2.gz WAIXOCPFCUJNSN-IIAWOOMASA-N 1 1 280.456 3.190 50 0 CGAAMO Cc1cccc(NC[C@H](O)c2cccc(OC(F)F)c2)[nH+]1 ZINC000195566916 346274192 /nfs/dbraw/zinc/27/41/92/346274192.db2.gz YOXVLWMOIKRPHV-ZDUSSCGKSA-N 1 1 294.301 3.137 50 0 CGAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1cccc2cc[nH]c21 ZINC000584887301 346721573 /nfs/dbraw/zinc/72/15/73/346721573.db2.gz CRJIFKOTVCJXQV-UHFFFAOYSA-N 1 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RSGOPXCWEDATMV-UHFFFAOYSA-N 1 1 295.386 3.192 50 0 CGAAMO COc1ccc(C[NH2+]Cc2ccccc2OC)c(OC)c1 ZINC000000172087 368308354 /nfs/dbraw/zinc/30/83/54/368308354.db2.gz WJUFCSJGRUSPIU-UHFFFAOYSA-N 1 1 287.359 3.002 50 0 CGAAMO Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000000176409 368309498 /nfs/dbraw/zinc/30/94/98/368309498.db2.gz CBARPLBGFMDFLQ-GASCZTMLSA-N 1 1 274.408 3.302 50 0 CGAAMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000000453923 368369588 /nfs/dbraw/zinc/36/95/88/368369588.db2.gz DWIDPPSNAFYUTM-UHFFFAOYSA-N 1 1 298.386 3.156 50 0 CGAAMO CCOc1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000003429156 368507518 /nfs/dbraw/zinc/50/75/18/368507518.db2.gz MUHFDSZPOCRTKV-UHFFFAOYSA-N 1 1 290.407 3.288 50 0 CGAAMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000003538723 368512033 /nfs/dbraw/zinc/51/20/33/368512033.db2.gz HAIUKYCMCORIDT-UHFFFAOYSA-N 1 1 274.408 3.228 50 0 CGAAMO CC[C@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000004525102 368549493 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0 CGAAMO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000095968474 185046836 /nfs/dbraw/zinc/04/68/36/185046836.db2.gz COZMRQUKEXJFNF-GHMZBOCLSA-N 1 1 293.798 3.494 50 0 CGAAMO COc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000095986771 185056814 /nfs/dbraw/zinc/05/68/14/185056814.db2.gz MPIPCQLTAVKIJU-HLLBOEOZSA-N 1 1 290.451 3.213 50 0 CGAAMO C[N@@H+](CCSCc1ccon1)Cc1ccccc1 ZINC000193636185 529929248 /nfs/dbraw/zinc/92/92/48/529929248.db2.gz MXTHVVZVHRNTPS-UHFFFAOYSA-N 1 1 262.378 3.040 50 0 CGAAMO O=C(C[N@H+]1CCC2(C1)CCCCCC2)Nc1cccnc1 ZINC000075105996 345495411 /nfs/dbraw/zinc/49/54/11/345495411.db2.gz XLZNWYOIMBCQMW-UHFFFAOYSA-N 1 1 287.407 3.066 50 0 CGAAMO O[C@H](C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1)c1ccccc1 ZINC000078947942 345625887 /nfs/dbraw/zinc/62/58/87/345625887.db2.gz XFBWOKUIKLDXNF-OKZBNKHCSA-N 1 1 289.419 3.144 50 0 CGAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080958804 345691778 /nfs/dbraw/zinc/69/17/78/345691778.db2.gz 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0 CGAAMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1OC(=O)c1ccccc1Cl ZINC000003901931 368523166 /nfs/dbraw/zinc/52/31/66/368523166.db2.gz LGWYXROPIZJPDW-JTNHKYCSSA-N 1 1 281.783 3.226 50 0 CGAAMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000003564506 368514372 /nfs/dbraw/zinc/51/43/72/368514372.db2.gz NQNMEGLUBVMVQW-NSHDSACASA-N 1 1 280.799 3.319 50 0 CGAAMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000007447161 368570786 /nfs/dbraw/zinc/57/07/86/368570786.db2.gz BEUVUJXSUPOBEM-UHFFFAOYSA-N 1 1 280.799 3.319 50 0 CGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)NCc1ccccc1 ZINC000010311114 368579233 /nfs/dbraw/zinc/57/92/33/368579233.db2.gz ODRQMJPBUSLTGS-GOSISDBHSA-N 1 1 294.398 3.140 50 0 CGAAMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000010340737 368579710 /nfs/dbraw/zinc/57/97/10/368579710.db2.gz UEDYDXJGEXYKCY-QGZVFWFLSA-N 1 1 280.371 3.123 50 0 CGAAMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000011035742 368588874 /nfs/dbraw/zinc/58/88/74/368588874.db2.gz UJCGLBWRRKGZFR-UHFFFAOYSA-N 1 1 282.387 3.196 50 0 CGAAMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013145648 368644798 /nfs/dbraw/zinc/64/47/98/368644798.db2.gz OVSBFFSOQWDSFO-ZNMIVQPWSA-N 1 1 274.408 3.300 50 0 CGAAMO CC(C)[C@@H]([NH3+])c1nnc(SCc2ccccc2)o1 ZINC000015974841 368706641 /nfs/dbraw/zinc/70/66/41/368706641.db2.gz BVSOOMVUAXAKBU-LLVKDONJSA-N 1 1 263.366 3.018 50 0 CGAAMO CCCn1c2ccccc2n(CCOc2ccccc2)c1=[NH2+] ZINC000019805369 368767521 /nfs/dbraw/zinc/76/75/21/368767521.db2.gz YDSIJAIHFPMXPK-UHFFFAOYSA-N 1 1 295.386 3.411 50 0 CGAAMO Nc1ccc2[nH]c(Cc3ccccc3Cl)[nH+]c2c1 ZINC000019807328 368768653 /nfs/dbraw/zinc/76/86/53/368768653.db2.gz DIQDRGWVCNKWSN-UHFFFAOYSA-N 1 1 257.724 3.389 50 0 CGAAMO Clc1cccc(Cl)c1CN[C@H]1C[NH+]2CCC1CC2 ZINC000019874069 368774059 /nfs/dbraw/zinc/77/40/59/368774059.db2.gz QXFSDXFCHFKKGK-AWEZNQCLSA-N 1 1 285.218 3.177 50 0 CGAAMO Cc1cc(CC[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)on1 ZINC000019228045 368745343 /nfs/dbraw/zinc/74/53/43/368745343.db2.gz 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50 0 CGAAMO CC[N@@H+](CC[C@H](C)c1ccccc1)Cc1nccn1C ZINC000020785589 171272482 /nfs/dbraw/zinc/27/24/82/171272482.db2.gz BBTSLIJNHGGTST-HNNXBMFYSA-N 1 1 271.408 3.436 50 0 CGAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1cccc(Cl)c1 ZINC000022078178 171352506 /nfs/dbraw/zinc/35/25/06/171352506.db2.gz UIDOWRBIAMSYNI-SWLSCSKDSA-N 1 1 264.800 3.009 50 0 CGAAMO CCc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000035258854 172091315 /nfs/dbraw/zinc/09/13/15/172091315.db2.gz WGRLQSOSGFGPFD-OAHLLOKOSA-N 1 1 260.425 3.213 50 0 CGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(Cl)c1 ZINC000040145626 174195041 /nfs/dbraw/zinc/19/50/41/174195041.db2.gz XNRCLJYBYJIUID-GFCCVEGCSA-N 1 1 295.814 3.336 50 0 CGAAMO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2)oc1C ZINC000040161794 174196497 /nfs/dbraw/zinc/19/64/97/174196497.db2.gz BDAOKQKGMLKBBA-UHFFFAOYSA-N 1 1 273.332 3.007 50 0 CGAAMO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)oc1C ZINC000040161794 174196499 /nfs/dbraw/zinc/19/64/99/174196499.db2.gz BDAOKQKGMLKBBA-UHFFFAOYSA-N 1 1 273.332 3.007 50 0 CGAAMO CSc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000044938048 175281719 /nfs/dbraw/zinc/28/17/19/175281719.db2.gz VNCCFZBQKDOBGW-AWEZNQCLSA-N 1 1 277.433 3.409 50 0 CGAAMO CCc1ccc(-c2nccn2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000071748756 176259495 /nfs/dbraw/zinc/25/94/95/176259495.db2.gz XPDKCFWOSPUNBD-MRXNPFEDSA-N 1 1 283.419 3.454 50 0 CGAAMO CC(C)c1nc2c(n1C)CC[N@@H+](CCc1cccs1)C2 ZINC000071880217 176287618 /nfs/dbraw/zinc/28/76/18/176287618.db2.gz IHUPUTBINWJUSG-UHFFFAOYSA-N 1 1 289.448 3.206 50 0 CGAAMO c1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000071896900 176292168 /nfs/dbraw/zinc/29/21/68/176292168.db2.gz CFSNDMMKKXRKKH-UHFFFAOYSA-N 1 1 282.387 3.131 50 0 CGAAMO C[C@H](CC[N@H+]1CCCn2cncc2C1)c1ccccc1 ZINC000072143774 176324308 /nfs/dbraw/zinc/32/43/08/176324308.db2.gz HNTCWAOUWAITFS-OAHLLOKOSA-N 1 1 269.392 3.283 50 0 CGAAMO OCCCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000072149905 176326519 /nfs/dbraw/zinc/32/65/19/176326519.db2.gz GVGLSFPCQQNOPI-KRWDZBQOSA-N 1 1 261.409 3.246 50 0 CGAAMO C[C@@H]1Cc2[nH+]cn(Cc3ccc4c[nH]nc4c3)c2C[C@@H]1C ZINC000660672594 419180907 /nfs/dbraw/zinc/18/09/07/419180907.db2.gz QHCBTSNPFYCOTK-NEPJUHHUSA-N 1 1 280.375 3.179 50 0 CGAAMO CC(C)=CCC[C@H](C)CC[N@H+]1CCCN(C)CC1 ZINC000019608909 262123760 /nfs/dbraw/zinc/12/37/60/262123760.db2.gz LESNNWGBWAOWMK-INIZCTEOSA-N 1 1 252.446 3.397 50 0 CGAAMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000069703411 274274419 /nfs/dbraw/zinc/27/44/19/274274419.db2.gz PHSYIYILYOJWGI-WBMJQRKESA-N 1 1 288.366 3.109 50 0 CGAAMO O=C1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2C1 ZINC000004831217 275018069 /nfs/dbraw/zinc/01/80/69/275018069.db2.gz LEXXFFUKMREIKL-VFVRVIDISA-N 1 1 294.398 3.456 50 0 CGAAMO O=C1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2C1 ZINC000004831217 275018070 /nfs/dbraw/zinc/01/80/70/275018070.db2.gz LEXXFFUKMREIKL-VFVRVIDISA-N 1 1 294.398 3.456 50 0 CGAAMO CC[N@@H+](C[C@@H](O)COc1ccc(C)cc1)C1CCCCC1 ZINC000007636291 276350981 /nfs/dbraw/zinc/35/09/81/276350981.db2.gz TXMDSWQUERYAMS-QGZVFWFLSA-N 1 1 291.435 3.389 50 0 CGAAMO CC(C)O[C@]12Oc3ccccc3C=C1[NH+]1CCC2CC1 ZINC000000178976 277698001 /nfs/dbraw/zinc/69/80/01/277698001.db2.gz AGPFCNAJUQHHOH-QGZVFWFLSA-N 1 1 271.360 3.267 50 0 biogenic CGAAMO CC[NH+]1CCN(C(=O)C2CCC(C(C)(C)C)CC2)CC1 ZINC000028896091 279338617 /nfs/dbraw/zinc/33/86/17/279338617.db2.gz LROMSOQQVQMYOW-UHFFFAOYSA-N 1 1 280.456 3.003 50 0 CGAAMO O[C@@H](C[C@@H]1CCC[N@H+]1CCc1ccncc1)c1ccccc1 ZINC000096441731 534404570 /nfs/dbraw/zinc/40/45/70/534404570.db2.gz SPXQQVJGVNOMGZ-OALUTQOASA-N 1 1 296.414 3.212 50 0 CGAAMO CS[C@@H](C)CC[N@@H+](C)Cc1cccnc1Cl ZINC000067755681 525796692 /nfs/dbraw/zinc/79/66/92/525796692.db2.gz IVTUKYVLTVLDMO-JTQLQIEISA-N 1 1 258.818 3.308 50 0 CGAAMO CS[C@@H](C)CC[N@H+](C)Cc1cccnc1Cl ZINC000067755681 525796685 /nfs/dbraw/zinc/79/66/85/525796685.db2.gz IVTUKYVLTVLDMO-JTQLQIEISA-N 1 1 258.818 3.308 50 0 CGAAMO CCC[N@H+]1CCC[C@@H](NCc2cccc(O)c2Cl)C1 ZINC000952990966 614658706 /nfs/dbraw/zinc/65/87/06/614658706.db2.gz NQBBCKVHHGDGJH-CYBMUJFWSA-N 1 1 282.815 3.010 50 0 CGAAMO CC[N@@H+](CCn1cccn1)Cc1cc(C)c(OC)cc1C ZINC000952973122 615060907 /nfs/dbraw/zinc/06/09/07/615060907.db2.gz RLDWKCKNKQGGID-UHFFFAOYSA-N 1 1 287.407 3.031 50 0 CGAAMO CN1CCC[N@H+](C2CCC(C(C)(C)C)CC2)CC1 ZINC000022455793 618184716 /nfs/dbraw/zinc/18/47/16/618184716.db2.gz PMKQOBLBMQQFQP-UHFFFAOYSA-N 1 1 252.446 3.229 50 0 CGAAMO CN(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc2ccn(C)c2c1 ZINC000072430242 618672240 /nfs/dbraw/zinc/67/22/40/618672240.db2.gz VSPDGPDWDYCYOB-GOSISDBHSA-N 1 1 299.462 3.485 50 0 CGAAMO CN(C)CC[C@H]1CCCC[N@H+]1Cc1ccc2ccn(C)c2c1 ZINC000072430242 618672242 /nfs/dbraw/zinc/67/22/42/618672242.db2.gz VSPDGPDWDYCYOB-GOSISDBHSA-N 1 1 299.462 3.485 50 0 CGAAMO Cn1ccc2ccc(CN3CCCC[C@@H]3CC[NH+](C)C)cc21 ZINC000072430242 618672243 /nfs/dbraw/zinc/67/22/43/618672243.db2.gz VSPDGPDWDYCYOB-GOSISDBHSA-N 1 1 299.462 3.485 50 0 CGAAMO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1c(C)noc1C ZINC000182391611 624996330 /nfs/dbraw/zinc/99/63/30/624996330.db2.gz UJEDYNSDDLJZQB-CYBMUJFWSA-N 1 1 263.341 3.137 50 0 CGAAMO CCC[C@@]1(CO)CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000808796801 630678916 /nfs/dbraw/zinc/67/89/16/630678916.db2.gz RHWZFDQJMCYPQA-GOSISDBHSA-N 1 1 291.435 3.167 50 0 CGAAMO Cc1cccc(N2CCC([N@@H+](C)Cc3cc[nH]n3)CC2)c1C ZINC000952962213 636775316 /nfs/dbraw/zinc/77/53/16/636775316.db2.gz AWOBHXQWOAJLEW-UHFFFAOYSA-N 1 1 298.434 3.127 50 0 CGAAMO Cc1c[nH+]c(CCNC(=O)C(C)C)n1C1CCCCC1 ZINC000581815513 799675178 /nfs/dbraw/zinc/67/51/78/799675178.db2.gz LSSCSLVGNVUXOO-UHFFFAOYSA-N 1 1 277.412 3.011 50 0 CGAAMO c1cnn(Cc2cccc(C[N@@H+]3C[C@@H]4CC[C@@H](C4)C3)c2)c1 ZINC000829065046 800484005 /nfs/dbraw/zinc/48/40/05/800484005.db2.gz UVPIQRCYYUDUMJ-HDICACEKSA-N 1 1 281.403 3.163 50 0 CGAAMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000952845728 800684344 /nfs/dbraw/zinc/68/43/44/800684344.db2.gz LFYSAOFYTJUHIP-ZDUSSCGKSA-N 1 1 288.416 3.068 50 0 CGAAMO C[N@H+]1CCC[C@@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000952883253 800687435 /nfs/dbraw/zinc/68/74/35/800687435.db2.gz SNECPHKCFMPHPQ-CYBMUJFWSA-N 1 1 280.331 3.052 50 0 CGAAMO CCc1cc(C[N@@H+](C)CCc2nc3cc(C)ccc3[nH]2)on1 ZINC001506411029 937989962 /nfs/dbraw/zinc/98/99/62/937989962.db2.gz YTUABZBDWLEVKV-UHFFFAOYSA-N 1 1 298.390 3.096 50 0 CGAAMO CCc1cc(C[N@H+](C)CCc2nc3ccc(C)cc3[nH]2)on1 ZINC001506411029 937989963 /nfs/dbraw/zinc/98/99/63/937989963.db2.gz YTUABZBDWLEVKV-UHFFFAOYSA-N 1 1 298.390 3.096 50 0 CGAAMO CCc1cc(C[N@@H+](C)CCc2nc3ccc(C)cc3[nH]2)on1 ZINC001506411029 937989964 /nfs/dbraw/zinc/98/99/64/937989964.db2.gz YTUABZBDWLEVKV-UHFFFAOYSA-N 1 1 298.390 3.096 50 0 CGAAMO CC(C)Cc1cc(C[NH2+]Cc2ccsc2)on1 ZINC001506429082 937990027 /nfs/dbraw/zinc/99/00/27/937990027.db2.gz UZOKVGBICLDRPE-UHFFFAOYSA-N 1 1 250.367 3.224 50 0 CGAAMO Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)no1 ZINC000096491849 230382608 /nfs/dbraw/zinc/38/26/08/230382608.db2.gz UFUFIADACHKDLA-ZDUSSCGKSA-N 1 1 282.347 3.020 50 0 CGAAMO CCCC1(NC(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095529221 185004821 /nfs/dbraw/zinc/00/48/21/185004821.db2.gz NFFYOJUBGCJTNO-HNNXBMFYSA-N 1 1 274.408 3.047 50 0 CGAAMO CC(C)N1CCC([NH2+]C[C@H](C)c2cccs2)CC1 ZINC000095968226 185046834 /nfs/dbraw/zinc/04/68/34/185046834.db2.gz DGPMBXVVUNNVBH-ZDUSSCGKSA-N 1 1 266.454 3.314 50 0 CGAAMO OC[C@H]1CCC[N@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757670 344855856 /nfs/dbraw/zinc/85/58/56/344855856.db2.gz ZDGRGXAZRSYYIJ-ZLPCBKJTSA-N 1 1 273.420 3.417 50 0 CGAAMO Clc1ccccc1[C@H]1[NH2+]CCOC12CCCC2 ZINC000096027805 345901951 /nfs/dbraw/zinc/90/19/51/345901951.db2.gz XQCLGAOYCYZIIF-CYBMUJFWSA-N 1 1 251.757 3.314 50 0 CGAAMO Cc1cccnc1C[N@H+]1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 ZINC000091425705 180151924 /nfs/dbraw/zinc/15/19/24/180151924.db2.gz WCRKICDEXVXLEW-ZWKOTPCHSA-N 1 1 299.462 3.086 50 0 CGAAMO Cc1cccnc1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091425705 180151925 /nfs/dbraw/zinc/15/19/25/180151925.db2.gz WCRKICDEXVXLEW-ZWKOTPCHSA-N 1 1 299.462 3.086 50 0 CGAAMO Cc1cccnc1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091425705 180151928 /nfs/dbraw/zinc/15/19/28/180151928.db2.gz WCRKICDEXVXLEW-ZWKOTPCHSA-N 1 1 299.462 3.086 50 0 CGAAMO Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000107686751 186184534 /nfs/dbraw/zinc/18/45/34/186184534.db2.gz WRHIKDLQQNYBGV-INIZCTEOSA-N 1 1 277.408 3.122 50 0 CGAAMO c1ccc(N[C@@H]2CCC[N@H+](CCc3ccncc3)C2)cc1 ZINC000154894153 188168324 /nfs/dbraw/zinc/16/83/24/188168324.db2.gz WVIIHAQZPVDNQK-GOSISDBHSA-N 1 1 281.403 3.201 50 0 CGAAMO COc1ccncc1C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000294369661 199014944 /nfs/dbraw/zinc/01/49/44/199014944.db2.gz QUMLCMMAPROGNM-LLVKDONJSA-N 1 1 260.337 3.151 50 0 CGAAMO Cc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)o1 ZINC000180890572 189282164 /nfs/dbraw/zinc/28/21/64/189282164.db2.gz UVGQIAVVKPMAMG-UHFFFAOYSA-N 1 1 274.364 3.450 50 0 CGAAMO CCc1cc(NCCC[C@H]2CCCC[C@@H]2O)nc(C)[nH+]1 ZINC000302107596 201344095 /nfs/dbraw/zinc/34/40/95/201344095.db2.gz SMWFVNNJKBEKNS-HIFRSBDPSA-N 1 1 277.412 3.091 50 0 CGAAMO CC[N@H+](CCN1CCCC1)Cc1cccc2ncccc12 ZINC000218866174 376191835 /nfs/dbraw/zinc/19/18/35/376191835.db2.gz NUGJGRNEMOQAAZ-UHFFFAOYSA-N 1 1 283.419 3.153 50 0 CGAAMO CC[N@@H+](CCN1CCCC1)Cc1cccc2ncccc12 ZINC000218866174 376191839 /nfs/dbraw/zinc/19/18/39/376191839.db2.gz NUGJGRNEMOQAAZ-UHFFFAOYSA-N 1 1 283.419 3.153 50 0 CGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000000236921 368321388 /nfs/dbraw/zinc/32/13/88/368321388.db2.gz BAPJBXNYFMRBNC-CQSZACIVSA-N 1 1 293.432 3.184 50 0 CGAAMO Nc1[nH+]c(-c2ccccc2)cn1Nc1ccccc1 ZINC000000174373 368309600 /nfs/dbraw/zinc/30/96/00/368309600.db2.gz YBKJMOUSYMEVNR-UHFFFAOYSA-N 1 1 250.305 3.008 50 0 CGAAMO CCN1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000757802 368395125 /nfs/dbraw/zinc/39/51/25/368395125.db2.gz FEAKYVSJILFUDP-UHFFFAOYSA-N 1 1 286.341 3.279 50 0 CGAAMO O=C(c1cccc(C[NH+]2CCC2)c1)c1ccccc1F ZINC000002515131 368458529 /nfs/dbraw/zinc/45/85/29/368458529.db2.gz 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ZINC000095419518 277031172 /nfs/dbraw/zinc/03/11/72/277031172.db2.gz WPGSWYMBFGNGSG-MRXNPFEDSA-N 1 1 286.419 3.117 50 0 CGAAMO Cc1cc(=O)c2ccccc2n1CC[C@@H]1CCCC[N@@H+]1C ZINC000095385955 280303586 /nfs/dbraw/zinc/30/35/86/280303586.db2.gz LXCSMROIUSHJQK-HNNXBMFYSA-N 1 1 284.403 3.184 50 0 CGAAMO CC[N@H+](Cc1ccc(C)o1)Cc1ccc(N(C)C)nc1 ZINC000222734629 528777252 /nfs/dbraw/zinc/77/72/52/528777252.db2.gz ZLTIVOYAAXJWBZ-UHFFFAOYSA-N 1 1 273.380 3.071 50 0 CGAAMO CC[N@@H+](Cc1ccc(C)o1)Cc1ccc(N(C)C)nc1 ZINC000222734629 528777254 /nfs/dbraw/zinc/77/72/54/528777254.db2.gz ZLTIVOYAAXJWBZ-UHFFFAOYSA-N 1 1 273.380 3.071 50 0 CGAAMO COc1ccccc1-c1noc(C[N@@H+](C)CC(C)(C)C)n1 ZINC000726971644 571694725 /nfs/dbraw/zinc/69/47/25/571694725.db2.gz MRBFZQSNAXXBIC-UHFFFAOYSA-N 1 1 289.379 3.223 50 0 CGAAMO Cc1c(C(=O)Nc2cc(C)[nH+]c(C)c2)oc2c1C(=O)CCC2 ZINC000084086319 566878281 /nfs/dbraw/zinc/87/82/81/566878281.db2.gz UOOAFTDJSFQVLX-UHFFFAOYSA-N 1 1 298.342 3.371 50 0 CGAAMO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc2c[nH]nc2c1 ZINC000584908335 570392241 /nfs/dbraw/zinc/39/22/41/570392241.db2.gz YBFMVOLASFOXHP-UHFFFAOYSA-N 1 1 292.342 3.336 50 0 CGAAMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc2c[nH]nc2c1 ZINC000584908335 570392245 /nfs/dbraw/zinc/39/22/45/570392245.db2.gz YBFMVOLASFOXHP-UHFFFAOYSA-N 1 1 292.342 3.336 50 0 CGAAMO CCCCc1nc(C[NH2+]CCOc2ccccc2F)c[nH]1 ZINC000952987572 614491020 /nfs/dbraw/zinc/49/10/20/614491020.db2.gz IKFJLMLNQLNGKY-UHFFFAOYSA-N 1 1 291.370 3.060 50 0 CGAAMO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1nc(C)c(C)s1 ZINC000952975402 615536337 /nfs/dbraw/zinc/53/63/37/615536337.db2.gz IRXJGAXAMZEFEF-CYBMUJFWSA-N 1 1 278.425 3.043 50 0 CGAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000952982675 615777222 /nfs/dbraw/zinc/77/72/22/615777222.db2.gz ZTEHJGLGGTWSQM-OAHLLOKOSA-N 1 1 299.418 3.330 50 0 CGAAMO CCOc1ccccc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000055543198 622835050 /nfs/dbraw/zinc/83/50/50/622835050.db2.gz WJVQJBULJXBVIC-UHFFFAOYSA-N 1 1 286.375 3.001 50 0 CGAAMO C[N@H+](CCCC1CCCC1)Cc1nc(CC2CC2)no1 ZINC000015065820 640972304 /nfs/dbraw/zinc/97/23/04/640972304.db2.gz LZIFMYNPMORRMT-UHFFFAOYSA-N 1 1 277.412 3.424 50 0 CGAAMO C[N@@H+](CCCC1CCCC1)Cc1nc(CC2CC2)no1 ZINC000015065820 640972306 /nfs/dbraw/zinc/97/23/06/640972306.db2.gz LZIFMYNPMORRMT-UHFFFAOYSA-N 1 1 277.412 3.424 50 0 CGAAMO Cc1cccc(CC[N@H+](C)C[C@@H](O)c2ccccc2)c1 ZINC000020110095 641040481 /nfs/dbraw/zinc/04/04/81/641040481.db2.gz GYOOEFAGIAORMX-GOSISDBHSA-N 1 1 269.388 3.203 50 0 CGAAMO CCSc1ccccc1NC(=O)[C@H](C)[NH+]1CCCC1 ZINC000952868528 800684996 /nfs/dbraw/zinc/68/49/96/800684996.db2.gz BAGXHEHOYKKPIJ-LBPRGKRZSA-N 1 1 278.421 3.221 50 0 CGAAMO C[N@@H+](Cc1cncnc1)C[C@]1(c2ccccc2)CC1(C)C ZINC000952871832 800685919 /nfs/dbraw/zinc/68/59/19/800685919.db2.gz DKVDBMJQRPVZDZ-SFHVURJKSA-N 1 1 281.403 3.276 50 0 CGAAMO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3ccncc3)CC2)CCO1 ZINC000952880866 800687100 /nfs/dbraw/zinc/68/71/00/800687100.db2.gz DPMNVHCFRVGRFD-IXDOHACOSA-N 1 1 288.435 3.466 50 0 CGAAMO OC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000023280309 926834608 /nfs/dbraw/zinc/83/46/08/926834608.db2.gz XJHGFSFFDKKRSE-MRXNPFEDSA-N 1 1 293.410 3.462 50 0 CGAAMO C[N@@H+](CC[C@H]1CCOC1)Cc1cccc2cnccc21 ZINC001506422541 937990092 /nfs/dbraw/zinc/99/00/92/937990092.db2.gz QDIGFJRKTWEXLL-AWEZNQCLSA-N 1 1 270.376 3.093 50 0 CGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNCc2ccco2)C1 ZINC001506427675 937990110 /nfs/dbraw/zinc/99/01/10/937990110.db2.gz RSKDPXCDJITNMG-MRXNPFEDSA-N 1 1 284.403 3.167 50 0 CGAAMO Cc1ccccc1[C@@H]1CCN(CC[NH2+]Cc2ccco2)C1 ZINC001506427675 937990111 /nfs/dbraw/zinc/99/01/11/937990111.db2.gz RSKDPXCDJITNMG-MRXNPFEDSA-N 1 1 284.403 3.167 50 0 CGAAMO C[N@@H+](CC[C@@H]1CCOC1)Cc1cccc2cnccc21 ZINC001506422543 937990234 /nfs/dbraw/zinc/99/02/34/937990234.db2.gz QDIGFJRKTWEXLL-CQSZACIVSA-N 1 1 270.376 3.093 50 0 CGAAMO CC(C)c1ccc(OCC[N@H+](C)Cc2ccnn2C)cc1 ZINC001529191659 938071618 /nfs/dbraw/zinc/07/16/18/938071618.db2.gz AWCXEAIVUWHLDX-UHFFFAOYSA-N 1 1 287.407 3.054 50 0 CGAAMO CC(C)c1ccc(OCC[N@@H+](C)Cc2ccnn2C)cc1 ZINC001529191659 938071619 /nfs/dbraw/zinc/07/16/19/938071619.db2.gz AWCXEAIVUWHLDX-UHFFFAOYSA-N 1 1 287.407 3.054 50 0 CGAAMO CN(C)/C=C\c1ccnc(-c2cc(/C=C\[NH+](C)C)ccn2)c1 ZINC000100256008 230391816 /nfs/dbraw/zinc/39/18/16/230391816.db2.gz PMOOYDXWOVKBRY-OXAWKVHCSA-N 1 1 294.402 3.208 50 0 CGAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCOc2ccccc2C1 ZINC000095528553 185005315 /nfs/dbraw/zinc/00/53/15/185005315.db2.gz OXOYHXLSSMYCMI-HNNXBMFYSA-N 1 1 282.387 3.155 50 0 CGAAMO Cc1cnc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000095985851 185056750 /nfs/dbraw/zinc/05/67/50/185056750.db2.gz MXAYVIAKKUJCSA-ZBFHGGJFSA-N 1 1 286.375 3.241 50 0 CGAAMO Cc1nc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000096004740 185063204 /nfs/dbraw/zinc/06/32/04/185063204.db2.gz SUZULDOCJMIDOX-OCCSQVGLSA-N 1 1 293.480 3.194 50 0 CGAAMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125519148 187188823 /nfs/dbraw/zinc/18/88/23/187188823.db2.gz RHWVCWYURZNZNS-KRWDZBQOSA-N 1 1 268.360 3.427 50 0 CGAAMO N=C1NC(Nc2cccc3ccccc32)=[NH+]C2(CCCC2)N1 ZINC000019326925 344890146 /nfs/dbraw/zinc/89/01/46/344890146.db2.gz SHDBZSCCMYSPIQ-UHFFFAOYSA-N 1 1 293.374 3.006 50 0 CGAAMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000034118341 344937907 /nfs/dbraw/zinc/93/79/07/344937907.db2.gz VFSCAXGPMNIWEZ-RYRKJORJSA-N 1 1 287.403 3.339 50 0 CGAAMO CC(C)c1ncc2c(n1)C[N@H+](CCc1cccs1)CC2 ZINC000072268509 345408225 /nfs/dbraw/zinc/40/82/25/345408225.db2.gz FKYPYKMTEXYBQV-UHFFFAOYSA-N 1 1 287.432 3.262 50 0 CGAAMO CC(C)=CC[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000076047221 345531801 /nfs/dbraw/zinc/53/18/01/345531801.db2.gz WTPOUVFMMONFQY-ZDUSSCGKSA-N 1 1 261.369 3.093 50 0 CGAAMO Cc1nn(C)cc1C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000092063467 345829146 /nfs/dbraw/zinc/82/91/46/345829146.db2.gz DPSRAUALZPMBLS-QGZVFWFLSA-N 1 1 283.419 3.354 50 0 CGAAMO CCCCC[N@@H+](C)CCOc1ccccc1[C@@H](C)O ZINC000096026669 345901816 /nfs/dbraw/zinc/90/18/16/345901816.db2.gz GICNBUWVPAIORK-CQSZACIVSA-N 1 1 265.397 3.241 50 0 CGAAMO C[C@@]1(CO)CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000170089229 346193419 /nfs/dbraw/zinc/19/34/19/346193419.db2.gz ITIDMRAORKYCAE-AWEZNQCLSA-N 1 1 253.773 3.077 50 0 CGAAMO CCCCCCOc1ccc(C[N@@H+](C)C[C@H](C)O)cc1 ZINC000170595401 346194165 /nfs/dbraw/zinc/19/41/65/346194165.db2.gz SJGWTLZIWUDPRC-HNNXBMFYSA-N 1 1 279.424 3.458 50 0 CGAAMO C[N@@H+](CCO[C@H]1CCCCO1)Cc1cccc2cc[nH]c21 ZINC000225533006 346304849 /nfs/dbraw/zinc/30/48/49/346304849.db2.gz MTSXNXYLUZTZPS-INIZCTEOSA-N 1 1 288.391 3.143 50 0 CGAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC000248165069 346374212 /nfs/dbraw/zinc/37/42/12/346374212.db2.gz ZKIYXZLZRXHENG-JKSUJKDBSA-N 1 1 278.440 3.042 50 0 CGAAMO C[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C(C)(C)C ZINC000089894503 179878486 /nfs/dbraw/zinc/87/84/86/179878486.db2.gz ZLYYBERASHVLAJ-GDBMZVCRSA-N 1 1 294.483 3.249 50 0 CGAAMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3n2C)CC[C@@]1(O)C1CC1 ZINC000091616256 180207959 /nfs/dbraw/zinc/20/79/59/180207959.db2.gz NHENHYRAAJYNIL-KUHUBIRLSA-N 1 1 298.430 3.161 50 0 CGAAMO c1cncc(-c2noc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000106547612 186126638 /nfs/dbraw/zinc/12/66/38/186126638.db2.gz KUIZPLFGTOOLPY-DZGCQCFKSA-N 1 1 298.390 3.286 50 0 CGAAMO Cc1nc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)sc1C ZINC000088602160 138342520 /nfs/dbraw/zinc/34/25/20/138342520.db2.gz UEKDVBZCFYSJCL-DTORHVGOSA-N 1 1 256.440 3.086 50 0 CGAAMO Cc1nc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)sc1C ZINC000088602160 138342521 /nfs/dbraw/zinc/34/25/21/138342521.db2.gz UEKDVBZCFYSJCL-DTORHVGOSA-N 1 1 256.440 3.086 50 0 CGAAMO CC[N@@H+](CCO)Cc1csc2c1cccc2Cl ZINC000000338786 368343180 /nfs/dbraw/zinc/34/31/80/368343180.db2.gz UBKAIKSTBNAJDV-UHFFFAOYSA-N 1 1 269.797 3.369 50 0 CGAAMO O=C(c1cccc(C[NH+]2CC=CC2)c1)C1CCCC1 ZINC000002515426 368458605 /nfs/dbraw/zinc/45/86/05/368458605.db2.gz NAHHKDMQPXBEKA-UHFFFAOYSA-N 1 1 255.361 3.431 50 0 CGAAMO COc1ccc(Br)cc1C[NH2+]Cc1ccco1 ZINC000002554108 368463224 /nfs/dbraw/zinc/46/32/24/368463224.db2.gz XQTZXAQKGSIUOG-UHFFFAOYSA-N 1 1 296.164 3.341 50 0 CGAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000003564710 368514245 /nfs/dbraw/zinc/51/42/45/368514245.db2.gz BBNCGXIDJQNNIL-NSHDSACASA-N 1 1 296.798 3.019 50 0 CGAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000003564710 368514249 /nfs/dbraw/zinc/51/42/49/368514249.db2.gz BBNCGXIDJQNNIL-NSHDSACASA-N 1 1 296.798 3.019 50 0 CGAAMO C[N@@H+](CCOC(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000004664785 368553907 /nfs/dbraw/zinc/55/39/07/368553907.db2.gz ZHEVHDDHFKTXEP-UHFFFAOYSA-N 1 1 269.772 3.227 50 0 CGAAMO O=C1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C1 ZINC000004831215 368558074 /nfs/dbraw/zinc/55/80/74/368558074.db2.gz LEXXFFUKMREIKL-VBHSOAQHSA-N 1 1 294.398 3.456 50 0 CGAAMO O=C1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C1 ZINC000004831215 368558080 /nfs/dbraw/zinc/55/80/80/368558080.db2.gz LEXXFFUKMREIKL-VBHSOAQHSA-N 1 1 294.398 3.456 50 0 CGAAMO CCOc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811486 368572047 /nfs/dbraw/zinc/57/20/47/368572047.db2.gz NSQWGLQKLBHFHZ-OKILXGFUSA-N 1 1 290.407 3.002 50 0 CGAAMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)o1 ZINC000011503144 368591743 /nfs/dbraw/zinc/59/17/43/368591743.db2.gz WYMJBKOBCJDZAX-LRDDRELGSA-N 1 1 298.386 3.134 50 0 CGAAMO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000012816575 368628633 /nfs/dbraw/zinc/62/86/33/368628633.db2.gz VPQMEZKUUPMWQV-ZDUSSCGKSA-N 1 1 288.416 3.057 50 0 CGAAMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000012816575 368628640 /nfs/dbraw/zinc/62/86/40/368628640.db2.gz VPQMEZKUUPMWQV-ZDUSSCGKSA-N 1 1 288.416 3.057 50 0 CGAAMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000013142494 368645487 /nfs/dbraw/zinc/64/54/87/368645487.db2.gz SYPUBBORRYKBCW-SJORKVTESA-N 1 1 265.356 3.215 50 0 CGAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1F ZINC000016513158 368713319 /nfs/dbraw/zinc/71/33/19/368713319.db2.gz DZRQISPEVWDMGV-UHFFFAOYSA-N 1 1 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3.054 50 0 CGAAMO C/C(=C/C(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000001383429 169696919 /nfs/dbraw/zinc/69/69/19/169696919.db2.gz SHINIMAIUZZVOT-LUAWRHEFSA-N 1 1 264.756 3.278 50 0 CGAAMO CSCCC[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000072171622 392196173 /nfs/dbraw/zinc/19/61/73/392196173.db2.gz OHTFWLSLDXXANJ-AWEZNQCLSA-N 1 1 250.411 3.362 50 0 CGAAMO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(Br)n1 ZINC000072343835 392206034 /nfs/dbraw/zinc/20/60/34/392206034.db2.gz ZGZSVAYIGOCRMQ-LLVKDONJSA-N 1 1 269.186 3.389 50 0 CGAAMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(Br)n1 ZINC000072343835 392206036 /nfs/dbraw/zinc/20/60/36/392206036.db2.gz ZGZSVAYIGOCRMQ-LLVKDONJSA-N 1 1 269.186 3.389 50 0 CGAAMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccccn2)C1 ZINC000078553011 392218635 /nfs/dbraw/zinc/21/86/35/392218635.db2.gz BJEUFPWCOVJBPU-QAPCUYQASA-N 1 1 281.403 3.007 50 0 CGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccccn2)C1 ZINC000078553011 392218637 /nfs/dbraw/zinc/21/86/37/392218637.db2.gz BJEUFPWCOVJBPU-QAPCUYQASA-N 1 1 281.403 3.007 50 0 CGAAMO COC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000215450933 392986966 /nfs/dbraw/zinc/98/69/66/392986966.db2.gz ZUELZLTZYPDBIL-KRWDZBQOSA-N 1 1 297.402 3.145 50 0 CGAAMO COC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000215450981 392987226 /nfs/dbraw/zinc/98/72/26/392987226.db2.gz ZUELZLTZYPDBIL-QGZVFWFLSA-N 1 1 297.402 3.145 50 0 CGAAMO c1ccc(CNCC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228068610 393019163 /nfs/dbraw/zinc/01/91/63/393019163.db2.gz ZJSKXUTVCJROCT-IAGOWNOFSA-N 1 1 258.409 3.041 50 0 CGAAMO c1ccc(C[NH2+]CCN2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228068610 393019167 /nfs/dbraw/zinc/01/91/67/393019167.db2.gz ZJSKXUTVCJROCT-IAGOWNOFSA-N 1 1 258.409 3.041 50 0 CGAAMO O[C@@H]1C[C@H](c2cccc(F)c2)N(c2cc[nH+]cc2Cl)C1 ZINC000281836102 393355232 /nfs/dbraw/zinc/35/52/32/393355232.db2.gz YCFSTFXNGUBPCY-IUODEOHRSA-N 1 1 292.741 3.186 50 0 CGAAMO Cc1cccc(OC[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000670454398 543155567 /nfs/dbraw/zinc/15/55/67/543155567.db2.gz FWAMQVPHJDYCKW-OAHLLOKOSA-N 1 1 285.391 3.009 50 0 CGAAMO Cc1cccc(OC[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)c1 ZINC000670454398 543155569 /nfs/dbraw/zinc/15/55/69/543155569.db2.gz FWAMQVPHJDYCKW-OAHLLOKOSA-N 1 1 285.391 3.009 50 0 CGAAMO Clc1ccncc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000670473261 543157515 /nfs/dbraw/zinc/15/75/15/543157515.db2.gz BJXDXIPGVRZECP-OAHLLOKOSA-N 1 1 288.778 3.388 50 0 CGAAMO Clc1ccncc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000670473261 543157518 /nfs/dbraw/zinc/15/75/18/543157518.db2.gz BJXDXIPGVRZECP-OAHLLOKOSA-N 1 1 288.778 3.388 50 0 CGAAMO O=C(OC[C@@H]1CCC[N@H+]1Cc1ccco1)[C@@H]1CC=CCC1 ZINC000107540838 397652423 /nfs/dbraw/zinc/65/24/23/397652423.db2.gz YPYSFJWLJQVCIC-CABCVRRESA-N 1 1 289.375 3.144 50 0 CGAAMO CC(C)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000239308852 397668879 /nfs/dbraw/zinc/66/88/79/397668879.db2.gz HADCLITXFGHGEQ-NVXWUHKLSA-N 1 1 291.435 3.424 50 0 CGAAMO Cc1ccc(C)c(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000004743736 170009738 /nfs/dbraw/zinc/00/97/38/170009738.db2.gz RWRVDPGNLOVBNQ-AWEZNQCLSA-N 1 1 274.408 3.364 50 0 CGAAMO O[C@@H]1CCC[N@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000005092854 170065858 /nfs/dbraw/zinc/06/58/58/170065858.db2.gz KDYFFBOYVUSBEM-OFLPRAFFSA-N 1 1 259.393 3.170 50 0 CGAAMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000006744591 170239028 /nfs/dbraw/zinc/23/90/28/170239028.db2.gz RLZIFDRTQVPRSD-GOEBONIOSA-N 1 1 294.439 3.310 50 0 biogenic CGAAMO CC(C)CNc1nc(N2CCCC2)[nH+]c2c1SCCC2 ZINC000009306574 170370953 /nfs/dbraw/zinc/37/09/53/170370953.db2.gz VYNILBXDKFASDN-UHFFFAOYSA-N 1 1 292.452 3.183 50 0 CGAAMO Clc1ccc(CNCC[NH+]2CCCC2)cc1Cl ZINC000020126725 171011044 /nfs/dbraw/zinc/01/10/44/171011044.db2.gz VVLFUMKYXMNTGR-UHFFFAOYSA-N 1 1 273.207 3.179 50 0 CGAAMO Cn1ccnc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000020482333 171223156 /nfs/dbraw/zinc/22/31/56/171223156.db2.gz WPJOPRWBKDALOL-UHFFFAOYSA-N 1 1 287.382 3.014 50 0 CGAAMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CC3CCOCC3)nc2c1 ZINC000020862602 171276380 /nfs/dbraw/zinc/27/63/80/171276380.db2.gz PSHPIFMQIRHZBN-KRWDZBQOSA-N 1 1 299.418 3.435 50 0 CGAAMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CC3CCOCC3)[nH]c2c1 ZINC000020862602 171276381 /nfs/dbraw/zinc/27/63/81/171276381.db2.gz PSHPIFMQIRHZBN-KRWDZBQOSA-N 1 1 299.418 3.435 50 0 CGAAMO Cc1ccc2nc([C@@H]3CCC[N@H+]3CC3CCOCC3)[nH]c2c1 ZINC000020862602 171276382 /nfs/dbraw/zinc/27/63/82/171276382.db2.gz PSHPIFMQIRHZBN-KRWDZBQOSA-N 1 1 299.418 3.435 50 0 CGAAMO Clc1ccc(SCCC[NH+]2CCOCC2)cc1 ZINC000021475813 171304181 /nfs/dbraw/zinc/30/41/81/171304181.db2.gz ZXIXXIMSOMAVDG-UHFFFAOYSA-N 1 1 271.813 3.154 50 0 CGAAMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc(COC)c1)C2 ZINC000285400981 196273339 /nfs/dbraw/zinc/27/33/39/196273339.db2.gz DZFFNACNNCHXEQ-UHFFFAOYSA-N 1 1 289.419 3.224 50 0 CGAAMO COc1ccc(C[N@H+](Cc2cc(C)no2)C2CC2)cc1 ZINC000040468633 174276973 /nfs/dbraw/zinc/27/69/73/174276973.db2.gz JMLJJAWBKNJQOV-UHFFFAOYSA-N 1 1 272.348 3.156 50 0 CGAAMO COc1ccc(C[N@@H+](Cc2cc(C)no2)C2CC2)cc1 ZINC000040468633 174276975 /nfs/dbraw/zinc/27/69/75/174276975.db2.gz JMLJJAWBKNJQOV-UHFFFAOYSA-N 1 1 272.348 3.156 50 0 CGAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000071759148 176260908 /nfs/dbraw/zinc/26/09/08/176260908.db2.gz VHHOHJUDGWIMJG-OAHLLOKOSA-N 1 1 287.382 3.394 50 0 CGAAMO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cc1 ZINC000071759148 176260909 /nfs/dbraw/zinc/26/09/09/176260909.db2.gz VHHOHJUDGWIMJG-OAHLLOKOSA-N 1 1 287.382 3.394 50 0 CGAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cc1 ZINC000071759148 176260910 /nfs/dbraw/zinc/26/09/10/176260910.db2.gz VHHOHJUDGWIMJG-OAHLLOKOSA-N 1 1 287.382 3.394 50 0 CGAAMO CCS[C@H]1CCCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000071899655 176293617 /nfs/dbraw/zinc/29/36/17/176293617.db2.gz CYVYCBBGOAGQLJ-LBPRGKRZSA-N 1 1 281.425 3.055 50 0 CGAAMO CCS[C@H]1CCCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000071899655 176293618 /nfs/dbraw/zinc/29/36/18/176293618.db2.gz CYVYCBBGOAGQLJ-LBPRGKRZSA-N 1 1 281.425 3.055 50 0 CGAAMO c1cncc(C[N@H+](C[C@@H]2CCCO2)[C@H]2C=CCCC2)c1 ZINC000071904856 176295372 /nfs/dbraw/zinc/29/53/72/176295372.db2.gz IEIIRLWYNDDPRA-IRXDYDNUSA-N 1 1 272.392 3.171 50 0 CGAAMO COc1ccc(CCC[N@@H+](C)Cc2cccnc2)cc1 ZINC000072014204 176309196 /nfs/dbraw/zinc/30/91/96/176309196.db2.gz TWGFTOVBOXVAIV-UHFFFAOYSA-N 1 1 270.376 3.155 50 0 CGAAMO CCCC[C@@H]1C=CC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000072152338 176327186 /nfs/dbraw/zinc/32/71/86/176327186.db2.gz XORXXWKRQJGWIW-MRXNPFEDSA-N 1 1 282.391 3.198 50 0 CGAAMO CCCC[C@@H]1C=CC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000072152338 176327188 /nfs/dbraw/zinc/32/71/88/176327188.db2.gz XORXXWKRQJGWIW-MRXNPFEDSA-N 1 1 282.391 3.198 50 0 CGAAMO CC(C)[N@H+]1CC[C@@H](Cc2cccc(Br)n2)C1 ZINC000072344244 176372617 /nfs/dbraw/zinc/37/26/17/176372617.db2.gz GRYQCTJCNVOPCQ-NSHDSACASA-N 1 1 283.213 3.117 50 0 CGAAMO c1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccncc4)C3)nc2c1 ZINC000077385423 177261252 /nfs/dbraw/zinc/26/12/52/177261252.db2.gz RFBPYWARBPCLBY-HNNXBMFYSA-N 1 1 292.386 3.338 50 0 CGAAMO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1nccn1C ZINC000184722030 270060009 /nfs/dbraw/zinc/06/00/09/270060009.db2.gz HVGDUCGPJMAHDE-LLVKDONJSA-N 1 1 269.348 3.326 50 0 CGAAMO C[NH2+][C@H](CCN1CCCC1)c1ccccc1Cl ZINC000002580968 277041624 /nfs/dbraw/zinc/04/16/24/277041624.db2.gz KHFGTAUHOXBKHC-CQSZACIVSA-N 1 1 252.789 3.086 50 0 CGAAMO COC(=O)c1cc2c(s1)C[N@H+](C1CCCCC1)C2 ZINC000012357834 277153393 /nfs/dbraw/zinc/15/33/93/277153393.db2.gz WOHYVBIGEYZOCC-UHFFFAOYSA-N 1 1 265.378 3.183 50 0 CGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000005274684 277187187 /nfs/dbraw/zinc/18/71/87/277187187.db2.gz OUSKASKWWPBVJD-AWEZNQCLSA-N 1 1 299.399 3.165 50 0 CGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000005274684 277187188 /nfs/dbraw/zinc/18/71/88/277187188.db2.gz OUSKASKWWPBVJD-AWEZNQCLSA-N 1 1 299.399 3.165 50 0 CGAAMO Cc1cc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)n(C)n1 ZINC000055088420 301272055 /nfs/dbraw/zinc/27/20/55/301272055.db2.gz QZPDQBPKVPTCNX-AWEZNQCLSA-N 1 1 275.396 3.368 50 0 CGAAMO CCO[C@H]1COC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000534629935 328328498 /nfs/dbraw/zinc/32/84/98/328328498.db2.gz DZHFBOBQNPRUOI-GJZGRUSLSA-N 1 1 292.766 3.104 50 0 CGAAMO C[C@H](CC[NH+]1CC(N2CCCCC2)C1)c1ccccc1 ZINC000097657116 533904319 /nfs/dbraw/zinc/90/43/19/533904319.db2.gz LGBXTUNIOBZSCY-MRXNPFEDSA-N 1 1 272.436 3.350 50 0 CGAAMO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000000757556 526973563 /nfs/dbraw/zinc/97/35/63/526973563.db2.gz ZSGCUQCCWBAKED-BETUJISGSA-N 1 1 260.381 3.123 50 0 CGAAMO CC(=O)Nc1cccc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000096443378 527058241 /nfs/dbraw/zinc/05/82/41/527058241.db2.gz KAVOIWCSMAICBY-UHFFFAOYSA-N 1 1 289.404 3.126 50 0 CGAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000032869435 570410095 /nfs/dbraw/zinc/41/00/95/570410095.db2.gz WPUOFRRCHGGAPB-HNNXBMFYSA-N 1 1 286.419 3.297 50 0 CGAAMO CCC[N@@H+](CCc1ccccc1)Cc1[nH]cnc1C ZINC000952977379 614583802 /nfs/dbraw/zinc/58/38/02/614583802.db2.gz CFZCCODUNUVQNG-UHFFFAOYSA-N 1 1 257.381 3.173 50 0 CGAAMO CC[C@H](C(=O)NC1(c2ccc(Cl)cc2)CC1)[N@@H+](C)CC ZINC000952967899 615605594 /nfs/dbraw/zinc/60/55/94/615605594.db2.gz DCMULIKBRROZNG-CQSZACIVSA-N 1 1 294.826 3.176 50 0 CGAAMO COc1ccc(CN(C)C[C@@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000952973652 636775943 /nfs/dbraw/zinc/77/59/43/636775943.db2.gz YHPWQELKARVCAC-OAHLLOKOSA-N 1 1 290.451 3.167 50 0 CGAAMO O=C(Nc1c2c([nH+]c3c1CCCC3)CCC2)c1ccncc1 ZINC000000228290 640920147 /nfs/dbraw/zinc/92/01/47/640920147.db2.gz GUWLLIRMKFSVTA-UHFFFAOYSA-N 1 1 293.370 3.096 50 0 CGAAMO Clc1cccc(OCCC[NH+]2CCOCC2)c1Cl ZINC000019770539 641037994 /nfs/dbraw/zinc/03/79/94/641037994.db2.gz RZKRWTSNIMMYKI-UHFFFAOYSA-N 1 1 290.190 3.095 50 0 CGAAMO c1ccc([C@H]2CCC[N@@H+]2CCSc2ccncc2)nc1 ZINC000585133621 799678976 /nfs/dbraw/zinc/67/89/76/799678976.db2.gz NRUNNCXDFDQFRP-MRXNPFEDSA-N 1 1 285.416 3.406 50 0 CGAAMO C1=CC[C@@H](C[N@@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC000820403437 800454580 /nfs/dbraw/zinc/45/45/80/800454580.db2.gz HAFRQGUGBPUMCX-SJORKVTESA-N 1 1 262.441 3.293 50 0 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