smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@@H]1C[N@@H+](C)CC[C@@]1(C)O 3901854 534783448 /nfs/dbraw/zinc/78/34/48/534783448.db2.gz OOSYAXKYAOWSCZ-DTWKUNHWSA-N 1 1 171.240 0.278 50 0 in-vitro ACAAMO Cc1ccccc1OC(=O)C[NH3+] 49804827 534825196 /nfs/dbraw/zinc/82/51/96/534825196.db2.gz MFXOYEFVGXWGKI-UHFFFAOYSA-N 1 1 165.192 0.859 50 0 ACAAMO CN1CCN(c2cc(N)cc[nH+]2)CC1 4099972 536420248 /nfs/dbraw/zinc/42/02/48/536420248.db2.gz WZODRKCBBZZALX-UHFFFAOYSA-N 1 1 192.266 0.416 50 0 in-vitro ACAAMO CN1CCN(c2cc[nH+]c(N)c2)CC1 72192458 536424718 /nfs/dbraw/zinc/42/47/18/536424718.db2.gz LLYCLVPZTUNJRJ-UHFFFAOYSA-N 1 1 192.266 0.416 50 0 in-vitro ACAAMO C[C@H](CO)Cn1c[nH+]c(N)c1 685951265 537831062 /nfs/dbraw/zinc/83/10/62/537831062.db2.gz TULHEYBFAYXMNO-LURJTMIESA-N 1 1 155.201 0.094 50 0 ACAAMO Nc1cn(CCCCO)c[nH+]1 685951107 537831381 /nfs/dbraw/zinc/83/13/81/537831381.db2.gz JNBGQJWRXHHZRL-UHFFFAOYSA-N 1 1 155.201 0.238 50 0 ACAAMO COCCCn1c[nH+]c(N)c1 685951031 537832104 /nfs/dbraw/zinc/83/21/04/537832104.db2.gz BQWYEYWUWJDZCC-UHFFFAOYSA-N 1 1 155.201 0.502 50 0 ACAAMO C[C@@H](CO)Cn1c[nH+]c(N)c1 685951267 537833179 /nfs/dbraw/zinc/83/31/79/537833179.db2.gz TULHEYBFAYXMNO-ZCFIWIBFSA-N 1 1 155.201 0.094 50 0 ACAAMO C[C@H](O)CCn1c[nH+]c(N)c1 685951235 537833208 /nfs/dbraw/zinc/83/32/08/537833208.db2.gz QCRYKQAIVIBIOO-LURJTMIESA-N 1 1 155.201 0.236 50 0 ACAAMO C[C@@H](O)CCn1c[nH+]c(N)c1 685951238 537833391 /nfs/dbraw/zinc/83/33/91/537833391.db2.gz QCRYKQAIVIBIOO-ZCFIWIBFSA-N 1 1 155.201 0.236 50 0 ACAAMO Nc1cn(CCCF)c[nH+]1 685951295 537833611 /nfs/dbraw/zinc/83/36/11/537833611.db2.gz XNHSOIBWOJWMBW-UHFFFAOYSA-N 1 1 143.165 0.825 50 0 ACAAMO Nc1cc(CCCC[NH3+])ccn1 70636158 537864186 /nfs/dbraw/zinc/86/41/86/537864186.db2.gz SCJXZPREXWJITO-UHFFFAOYSA-N 1 1 165.240 0.945 50 0 ACAAMO C[N@@H+]1C[C@H](N)C(C)(C)C1 76572233 537872425 /nfs/dbraw/zinc/87/24/25/537872425.db2.gz NRLXIAXXAJJILW-LURJTMIESA-N 1 1 128.219 0.285 50 0 ACAAMO C[N@H+]1C[C@H](N)C(C)(C)C1 76572233 537872430 /nfs/dbraw/zinc/87/24/30/537872430.db2.gz NRLXIAXXAJJILW-LURJTMIESA-N 1 1 128.219 0.285 50 0 ACAAMO C[N@@H+]1C[C@@H](N)C(C)(C)C1 76572235 537873029 /nfs/dbraw/zinc/87/30/29/537873029.db2.gz NRLXIAXXAJJILW-ZCFIWIBFSA-N 1 1 128.219 0.285 50 0 ACAAMO C[N@H+]1C[C@@H](N)C(C)(C)C1 76572235 537873034 /nfs/dbraw/zinc/87/30/34/537873034.db2.gz NRLXIAXXAJJILW-ZCFIWIBFSA-N 1 1 128.219 0.285 50 0 ACAAMO C[N@@H+]1C[C@@H](N)C2(CC2)C1 82411343 537880367 /nfs/dbraw/zinc/88/03/67/537880367.db2.gz RFQQWGSIKZRCLS-ZCFIWIBFSA-N 1 1 126.203 0.039 50 0 ACAAMO C[N@H+]1C[C@@H](N)C2(CC2)C1 82411343 537880376 /nfs/dbraw/zinc/88/03/76/537880376.db2.gz RFQQWGSIKZRCLS-ZCFIWIBFSA-N 1 1 126.203 0.039 50 0 ACAAMO C[N@@H+]1C[C@H](N)C2(CC2)C1 82411342 537882360 /nfs/dbraw/zinc/88/23/60/537882360.db2.gz RFQQWGSIKZRCLS-LURJTMIESA-N 1 1 126.203 0.039 50 0 ACAAMO C[N@H+]1C[C@H](N)C2(CC2)C1 82411342 537882370 /nfs/dbraw/zinc/88/23/70/537882370.db2.gz RFQQWGSIKZRCLS-LURJTMIESA-N 1 1 126.203 0.039 50 0 ACAAMO Cc1c[nH]nc1C[NH3+] 82411833 537882512 /nfs/dbraw/zinc/88/25/12/537882512.db2.gz YNTYLNZYNAMBNJ-UHFFFAOYSA-N 1 1 111.148 0.177 50 0 ACAAMO C[C@H]([NH3+])c1nc(C(F)(F)F)n[nH]1 82752504 537885926 /nfs/dbraw/zinc/88/59/26/537885926.db2.gz ABSUTWXXCSJXDD-REOHCLBHSA-N 1 1 180.133 0.843 50 0 ACAAMO Cc1[nH]ncc1C1([NH3+])CC1 82836977 537889004 /nfs/dbraw/zinc/88/90/04/537889004.db2.gz JKRPBVWQDNVIGW-UHFFFAOYSA-N 1 1 137.186 0.666 50 0 ACAAMO [NH3+]C1(c2ncon2)CC1 83267334 537896463 /nfs/dbraw/zinc/89/64/63/537896463.db2.gz IQLWFRCCOOXJRW-UHFFFAOYSA-N 1 1 125.131 0.017 50 0 ACAAMO C1CC([NH2+]C2CNC2)C1 84418694 537909983 /nfs/dbraw/zinc/90/99/83/537909983.db2.gz SJWBEUKKMVXPSO-UHFFFAOYSA-N 1 1 126.203 0.100 50 0 ACAAMO CC(C)(C)[C@@H]1CNC(=O)C[NH2+]1 84427087 537911258 /nfs/dbraw/zinc/91/12/58/537911258.db2.gz JECVQBOCKVTYIS-LURJTMIESA-N 1 1 156.229 0.121 50 0 ACAAMO CC(C)(C)[C@H]1CNC(=O)C[NH2+]1 84427088 537911955 /nfs/dbraw/zinc/91/19/55/537911955.db2.gz JECVQBOCKVTYIS-ZCFIWIBFSA-N 1 1 156.229 0.121 50 0 ACAAMO C[C@H]1CCC(=O)C[NH2+]1 104627283 537953046 /nfs/dbraw/zinc/95/30/46/537953046.db2.gz VCUFRSQXYNMHHX-YFKPBYRVSA-N 1 1 113.160 0.327 50 0 ACAAMO CN1CC[NH+]=C1[C@H]1CCCN1 108264175 537962938 /nfs/dbraw/zinc/96/29/38/537962938.db2.gz WQJYQGIQGDYTFO-SSDOTTSWSA-N 1 1 153.229 0.082 50 0 ACAAMO CN1CCN=C1[C@H]1CCC[NH2+]1 108264175 537962943 /nfs/dbraw/zinc/96/29/43/537962943.db2.gz WQJYQGIQGDYTFO-SSDOTTSWSA-N 1 1 153.229 0.082 50 0 ACAAMO CN1CC[NH+]=C1[C@@H]1CCCN1 108264172 537963677 /nfs/dbraw/zinc/96/36/77/537963677.db2.gz WQJYQGIQGDYTFO-ZETCQYMHSA-N 1 1 153.229 0.082 50 0 ACAAMO CN1CCN=C1[C@@H]1CCC[NH2+]1 108264172 537963682 /nfs/dbraw/zinc/96/36/82/537963682.db2.gz WQJYQGIQGDYTFO-ZETCQYMHSA-N 1 1 153.229 0.082 50 0 ACAAMO NC(=O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 216424898 538192151 /nfs/dbraw/zinc/19/21/51/538192151.db2.gz XZKFUKODIJEUCG-NXEZZACHSA-N 1 1 196.294 0.984 50 0 ACAAMO CCCC[C@H]1CNC(=O)C[NH2+]1 218622865 538193544 /nfs/dbraw/zinc/19/35/44/538193544.db2.gz ZMWODWIJSDESIA-ZETCQYMHSA-N 1 1 156.229 0.265 50 0 ACAAMO CCCC[C@@H]1CNC(=O)C[NH2+]1 218622789 538193643 /nfs/dbraw/zinc/19/36/43/538193643.db2.gz ZMWODWIJSDESIA-SSDOTTSWSA-N 1 1 156.229 0.265 50 0 ACAAMO NC(=O)c1c[nH]nc1[C@@H]1CCCC[NH2+]1 306411468 538303741 /nfs/dbraw/zinc/30/37/41/538303741.db2.gz WIWNZKXZWOLTTN-ZETCQYMHSA-N 1 1 194.238 0.323 50 0 ACAAMO NC(=O)c1c[nH]nc1[C@H]1CCCC[NH2+]1 306411467 538304494 /nfs/dbraw/zinc/30/44/94/538304494.db2.gz WIWNZKXZWOLTTN-SSDOTTSWSA-N 1 1 194.238 0.323 50 0 ACAAMO OC[C@@H]1CC[N@H+]1C1CCOCC1 675050294 538447463 /nfs/dbraw/zinc/44/74/63/538447463.db2.gz OMDVESRMCYZTTR-VIFPVBQESA-N 1 1 171.240 0.232 50 0 ACAAMO OC[C@H]1CC[N@H+]1C1CCOCC1 675050293 538447408 /nfs/dbraw/zinc/44/74/08/538447408.db2.gz OMDVESRMCYZTTR-SECBINFHSA-N 1 1 171.240 0.232 50 0 ACAAMO C[NH2+]CC(C)(C)CN(C)C 20043041 541301537 /nfs/dbraw/zinc/30/15/37/541301537.db2.gz BBQZSKFYAAETKX-UHFFFAOYSA-N 1 1 144.262 0.794 50 0 ACAAMO COc1cnc([C@@H]2CCC[NH2+]2)[nH]c1=O 307671689 541331449 /nfs/dbraw/zinc/33/14/49/541331449.db2.gz UOZNIKGFQHMEPO-LURJTMIESA-N 1 1 195.222 0.615 50 0 ACAAMO COc1cnc([C@H]2CCC[NH2+]2)[nH]c1=O 307671690 541331559 /nfs/dbraw/zinc/33/15/59/541331559.db2.gz UOZNIKGFQHMEPO-ZCFIWIBFSA-N 1 1 195.222 0.615 50 0 ACAAMO COC(=O)[C@H]([NH3+])C1(C)CC1 642829084 757262343 /nfs/dbraw/zinc/26/23/43/757262343.db2.gz SPXWXIUSRJUCAR-YFKPBYRVSA-N 1 1 143.186 0.287 50 0 ACAAMO COC(=O)[C@@H]([NH3+])C1(C)CC1 642829083 757263138 /nfs/dbraw/zinc/26/31/38/757263138.db2.gz SPXWXIUSRJUCAR-RXMQYKEDSA-N 1 1 143.186 0.287 50 0 ACAAMO C=CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 1120459759 757808350 /nfs/dbraw/zinc/80/83/50/757808350.db2.gz LTHUTRCYCQWHBZ-BDAKNGLRSA-N 1 1 198.266 0.008 50 0 ACAAMO C=CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 1120459759 757808354 /nfs/dbraw/zinc/80/83/54/757808354.db2.gz LTHUTRCYCQWHBZ-BDAKNGLRSA-N 1 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CC(C)(C)OC(=O)C1([NH3+])CC1 83138131 573423472 /nfs/dbraw/zinc/42/34/72/573423472.db2.gz YCRMBQTWQAYARV-UHFFFAOYSA-N 1 1 157.213 0.819 50 0 ACAAMO CN1CCN(C2(C[NH3+])CCC2)CC1 86474906 573451975 /nfs/dbraw/zinc/45/19/75/573451975.db2.gz STSCNUTZJNXCSA-UHFFFAOYSA-N 1 1 183.299 0.115 50 0 ACAAMO C=CC(=O)NC[C@H]1CCC[N@@H+]1CC 36334131 572055745 /nfs/dbraw/zinc/05/57/45/572055745.db2.gz SBEZHOUQIKOFBK-SECBINFHSA-N 1 1 182.267 0.773 50 0 ACAAMO Clc1cnn2c1C[NH2+]CC2 107326835 573518978 /nfs/dbraw/zinc/51/89/78/573518978.db2.gz FJBLXYCQMFGZSL-UHFFFAOYSA-N 1 1 157.604 0.640 50 0 ACAAMO c1nc(CC2CC[NH2+]CC2)n[nH]1 86573478 573495506 /nfs/dbraw/zinc/49/55/06/573495506.db2.gz GAWOYKRMNCXPMM-UHFFFAOYSA-N 1 1 166.228 0.347 50 0 ACAAMO NC(=O)c1ccc2[nH]c(N)[nH+]c2c1 143308199 573750663 /nfs/dbraw/zinc/75/06/63/573750663.db2.gz MVZXAQTVSPDLMF-UHFFFAOYSA-N 1 1 176.179 0.244 50 0 ACAAMO OCCCc1[nH]cc[nH+]1 104399979 573975988 /nfs/dbraw/zinc/97/59/88/573975988.db2.gz ISPIHWORPMENMZ-UHFFFAOYSA-N 1 1 126.159 0.335 50 0 ACAAMO C[NH2+][C@H](C)C(F)F 87687442 574011161 /nfs/dbraw/zinc/01/11/61/574011161.db2.gz ZIUSYMCNVQDNQK-GSVOUGTGSA-N 1 1 109.119 0.859 50 0 ACAAMO OC[C@]1(O)CC[N@@H+](Cc2ccoc2)C1 306320196 673916061 /nfs/dbraw/zinc/91/60/61/673916061.db2.gz JSBXDMVAXRIKSV-JTQLQIEISA-N 1 1 197.234 0.209 50 0 ACAAMO OC[C@@]1(O)CC[N@@H+](Cc2ccoc2)C1 306320203 673916116 /nfs/dbraw/zinc/91/61/16/673916116.db2.gz JSBXDMVAXRIKSV-SNVBAGLBSA-N 1 1 197.234 0.209 50 0 ACAAMO CC/C=C/[NH3+] 104564038 1169139357 /nfs/dbraw/zinc/13/93/57/1169139357.db2.gz SZOLUXDHHKCYKT-ONEGZZNKSA-N 1 1 71.123 0.869 50 0 in-vitro ACAAMO C1Cc2[nH]nc(C3C[NH2+]C3)c2CO1 725343576 673940986 /nfs/dbraw/zinc/94/09/86/673940986.db2.gz XWBFFMWWVCENHS-UHFFFAOYSA-N 1 1 179.223 0.169 50 0 ACAAMO CCC1N2CCC[N@@H+]1CC2 166573036 673967301 /nfs/dbraw/zinc/96/73/01/673967301.db2.gz GFSRBWQVYIJFNL-UHFFFAOYSA-N 1 1 140.230 0.744 50 0 ACAAMO C[C@H]1C[NH2+][C@@H]1C(=O)OC(C)(C)C 143221157 1169214583 /nfs/dbraw/zinc/21/45/83/1169214583.db2.gz CHMINGUOYGPELA-BQBZGAKWSA-N 1 1 171.240 0.936 50 0 ACAAMO C[C@H]1C[NH2+][C@H]1C(=O)OC(C)(C)C 143221590 1169215236 /nfs/dbraw/zinc/21/52/36/1169215236.db2.gz CHMINGUOYGPELA-NKWVEPMBSA-N 1 1 171.240 0.936 50 0 ACAAMO COC(=O)CC1=CC[N@@H+](C)CC1 205440394 1169321095 /nfs/dbraw/zinc/32/10/95/1169321095.db2.gz ZTAUPVCVAVVJNI-UHFFFAOYSA-N 1 1 169.224 0.811 50 0 ACAAMO [NH3+]CC(F)(F)C1(O)CCOCC1 257834164 566290045 /nfs/dbraw/zinc/29/00/45/566290045.db2.gz KOXSEWAGWUYHOM-UHFFFAOYSA-N 1 1 181.182 0.122 50 0 ACAAMO C=CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 1353215056 1170536860 /nfs/dbraw/zinc/53/68/60/1170536860.db2.gz QPPSIUNQXUUMNR-SNVBAGLBSA-N 1 1 194.278 0.773 50 0 ACAAMO C=CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 1353215055 1170538018 /nfs/dbraw/zinc/53/80/18/1170538018.db2.gz QPPSIUNQXUUMNR-JTQLQIEISA-N 1 1 194.278 0.773 50 0 ACAAMO CN1CCC([N@H+]2CCC[C@@H](O)C2)CC1 215145 571683965 /nfs/dbraw/zinc/68/39/65/571683965.db2.gz FNRJKUVAKQTQCR-LLVKDONJSA-N 1 1 198.310 0.537 50 0 ACAAMO 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/nfs/dbraw/zinc/18/98/57/698189857.db2.gz AFINDDQEYAFCOO-VHSXEESVSA-N 1 1 184.283 0.180 50 0 ACAAMO CC(C)[C@H]([NH3+])[C@]1(O)CCN(C)C1 958527584 698189968 /nfs/dbraw/zinc/18/99/68/698189968.db2.gz AGTCTBBLSXQNPL-IUCAKERBSA-N 1 1 172.272 0.036 50 0 ACAAMO CC[C@H]([NH3+])[C@]1(O)CN2CCC1CC2 958527579 698189985 /nfs/dbraw/zinc/18/99/85/698189985.db2.gz AFINDDQEYAFCOO-UWVGGRQHSA-N 1 1 184.283 0.180 50 0 ACAAMO CC[C@@H]([NH3+])[C@]1(O)CN2CCC1CC2 958527581 698189989 /nfs/dbraw/zinc/18/99/89/698189989.db2.gz AFINDDQEYAFCOO-ZJUUUORDSA-N 1 1 184.283 0.180 50 0 ACAAMO CC(C)[C@H]([NH3+])[C@@]1(O)CCN(C)C1 958527583 698190017 /nfs/dbraw/zinc/19/00/17/698190017.db2.gz AGTCTBBLSXQNPL-DTWKUNHWSA-N 1 1 172.272 0.036 50 0 ACAAMO CN1CCN(c2c[nH+]ccc2N)CC1 84453435 132177041 /nfs/dbraw/zinc/17/70/41/132177041.db2.gz CSRXCXCRVBXXNU-UHFFFAOYSA-N 1 1 192.266 0.416 50 0 ACAAMO Nc1[nH+]cnc(N2CCCCC2)c1N 284052 132178379 /nfs/dbraw/zinc/17/83/79/132178379.db2.gz SPHIELGFQMRLSD-UHFFFAOYSA-N 1 1 193.254 0.631 50 0 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HZHQLENXGFLKCG-UHFFFAOYSA-N 1 1 193.250 0.625 50 0 ACAAMO CN1CCNc2ccc[nH+]c21 20975068 132185442 /nfs/dbraw/zinc/18/54/42/132185442.db2.gz YVZCIDDDDCENGZ-UHFFFAOYSA-N 1 1 149.197 0.943 50 0 in-vitro ACAAMO Nc1ccc(N2CCC(O)CC2)[nH+]c1 22165211 132185670 /nfs/dbraw/zinc/18/56/70/132185670.db2.gz JFSQCTGGZLCLFF-UHFFFAOYSA-N 1 1 193.250 0.625 50 0 ACAAMO Cc1nc(N)cc(N2CCOCC2)[nH+]1 25493116 132185808 /nfs/dbraw/zinc/18/58/08/132185808.db2.gz NVYNZTGBWLAAPR-UHFFFAOYSA-N 1 1 194.238 0.204 50 0 in-vitro ACAAMO C[NH+]1CCN(c2ncccc2F)CC1 36237989 132188440 /nfs/dbraw/zinc/18/84/40/132188440.db2.gz KZNJAAWCEFRAPW-UHFFFAOYSA-N 1 1 195.241 0.973 50 0 in-vivo ACAAMO Cc1cc(N)nc(C)[nH+]1 154449 342928573 /nfs/dbraw/zinc/92/85/73/342928573.db2.gz BJJDXAFKCKSLTE-UHFFFAOYSA-N 1 1 123.159 0.676 50 0 in-vitro ACAAMO Cc1c[nH]c2nc[nH+]c(N)c12 1556577 342947037 /nfs/dbraw/zinc/94/70/37/342947037.db2.gz ZEWNAJJTKKUMEK-UHFFFAOYSA-N 1 1 148.169 0.849 50 0 ACAAMO C[NH2+]CCCN(C)C 2560540 342976865 /nfs/dbraw/zinc/97/68/65/342976865.db2.gz SORARJZLMNRBAQ-UHFFFAOYSA-N 1 1 116.208 0.158 50 0 ACAAMO C[C@H]1[C@@H](O)CC[N@@H+](C)[C@@H]1C 2570295 342977589 /nfs/dbraw/zinc/97/75/89/342977589.db2.gz RKKHEISNQPMYEF-PRJMDXOYSA-N 1 1 143.230 0.707 50 0 ACAAMO C[N@@H+](CCO)C[C@H](O)c1ccccc1 2617491 342979705 /nfs/dbraw/zinc/97/97/05/342979705.db2.gz DTYODHRLIDBIOC-NSHDSACASA-N 1 1 195.262 0.644 50 0 ACAAMO C[NH+](C)c1ccc(N)c(N)c1 4823570 342996168 /nfs/dbraw/zinc/99/61/68/342996168.db2.gz AEPYIICGYIUTCV-UHFFFAOYSA-N 1 1 151.213 0.917 50 0 ACAAMO C[C@H]1[C@@H](C)[C@@H](O)CC[N@H+]1C 4343748 342991021 /nfs/dbraw/zinc/99/10/21/342991021.db2.gz RKKHEISNQPMYEF-CSMHCCOUSA-N 1 1 143.230 0.707 50 0 ACAAMO C[C@H]1C[C@@H](O)C[N@@H+](C)C1 4343759 342991114 /nfs/dbraw/zinc/99/11/14/342991114.db2.gz CBRMWULTQJIPNA-NKWVEPMBSA-N 1 1 129.203 0.319 50 0 ACAAMO C[C@H]1C[C@@H](O)[C@H](C)C[N@H+]1C 4343753 342991118 /nfs/dbraw/zinc/99/11/18/342991118.db2.gz ZMPIXCGEZCZGGJ-GJMOJQLCSA-N 1 1 143.230 0.707 50 0 ACAAMO C[C@H]1C[C@H](O)[C@H](C)[N@@H+](C)C1 4343860 342991123 /nfs/dbraw/zinc/99/11/23/342991123.db2.gz FYSXYJLZTKYTDU-FXQIFTODSA-N 1 1 143.230 0.707 50 0 ACAAMO C[N@H+]1[C@@H]2CCC(=O)[C@H]1CC2 5519219 343004324 /nfs/dbraw/zinc/00/43/24/343004324.db2.gz VIZAOHGVLPCBMA-NKWVEPMBSA-N 1 1 139.198 0.812 50 0 ACAAMO Cc1[nH+]ccn1CCO 5836878 343009092 /nfs/dbraw/zinc/00/90/92/343009092.db2.gz JJWKKSUCSNDHNJ-UHFFFAOYSA-N 1 1 126.159 0.184 50 0 in-vitro ACAAMO CC(C)Cc1nnc(C[NH3+])o1 11585590 343022997 /nfs/dbraw/zinc/02/29/97/343022997.db2.gz FWUGLXCOMNFGEC-UHFFFAOYSA-N 1 1 155.201 0.727 50 0 ACAAMO Cc1cnc(C[NH3+])o1 11587002 343023021 /nfs/dbraw/zinc/02/30/21/343023021.db2.gz FKQACWXKOPSSDV-UHFFFAOYSA-N 1 1 112.132 0.442 50 0 in-vitro ACAAMO Cc1nnc([C@@H](C)[NH3+])o1 11586026 343023051 /nfs/dbraw/zinc/02/30/51/343023051.db2.gz BOIJSRQQRMVLPC-GSVOUGTGSA-N 1 1 127.147 0.398 50 0 in-vitro ACAAMO CCc1nnc(C[NH3+])o1 11585584 343023066 /nfs/dbraw/zinc/02/30/66/343023066.db2.gz KOTDRRFYMZMLEK-UHFFFAOYSA-N 1 1 127.147 0.091 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@](C)(CO)C1 12384492 343029588 /nfs/dbraw/zinc/02/95/88/343029588.db2.gz LIPHTBOSXYCXFC-QMMMGPOBSA-N 1 1 143.230 0.711 50 0 in-vitro ACAAMO CN(C)C[C@H]1CC[NH2+]C1 15019560 343041336 /nfs/dbraw/zinc/04/13/36/343041336.db2.gz DDROADVTQNAKPF-ZETCQYMHSA-N 1 1 128.219 0.158 50 0 in-vitro ACAAMO Cc1cccc2c1NC(=O)[C@H]2[NH3+] 15635539 343042112 /nfs/dbraw/zinc/04/21/12/343042112.db2.gz KAOBWWMVOBYGHK-ZETCQYMHSA-N 1 1 162.192 0.947 50 0 in-vitro ACAAMO Cc1ccc2c(c1)[C@H]([NH3+])C(=O)N2 15635534 343042119 /nfs/dbraw/zinc/04/21/19/343042119.db2.gz FUHGCDMBTBHYJA-QMMMGPOBSA-N 1 1 162.192 0.947 50 0 in-vitro ACAAMO Cc1cccc2c1[C@H]([NH3+])C(=O)N2 15635530 343042126 /nfs/dbraw/zinc/04/21/26/343042126.db2.gz DXMQUOQQGLIRSR-QMMMGPOBSA-N 1 1 162.192 0.947 50 0 in-vitro ACAAMO CC(C)Cc1noc(C[NH3+])n1 19088032 343049249 /nfs/dbraw/zinc/04/92/49/343049249.db2.gz ROQUXAGNSSNHLD-UHFFFAOYSA-N 1 1 155.201 0.727 50 0 ACAAMO CCc1[nH+]ccn1CCO 19093003 343051046 /nfs/dbraw/zinc/05/10/46/343051046.db2.gz HFMGGRZXHPSOJX-UHFFFAOYSA-N 1 1 140.186 0.438 50 0 in-vitro ACAAMO C[N@H+]1CCc2[nH]c(=S)ncc2C1 19093657 343051070 /nfs/dbraw/zinc/05/10/70/343051070.db2.gz XCOGLBZBMDMFFP-UHFFFAOYSA-N 1 1 181.264 0.753 50 0 in-vitro ACAAMO CN1CCN(CC(C)(C)C[NH3+])CC1 19199886 343051969 /nfs/dbraw/zinc/05/19/69/343051969.db2.gz NSYKKEXFLYMRPJ-UHFFFAOYSA-N 1 1 185.315 0.219 50 0 ACAAMO C[N@H+]1CCc2nc(N)sc2C1 19229986 343051976 /nfs/dbraw/zinc/05/19/76/343051976.db2.gz SAFPFEWXCCYGOX-UHFFFAOYSA-N 1 1 169.253 0.713 50 0 in-vitro ACAAMO C[C@H]1CC[C@@H](NN2CC[NH+](C)CC2)C1 19169847 343052002 /nfs/dbraw/zinc/05/20/02/343052002.db2.gz RLNMTOWGZNQNQT-WDEREUQCSA-N 1 1 197.326 0.927 50 0 ACAAMO CC[C@@]1(C)C[C@]2(CCO1)CNCC[NH2+]2 19363345 343053149 /nfs/dbraw/zinc/05/31/49/343053149.db2.gz ROHPOJQPAAMVIN-WDEREUQCSA-N 1 1 198.310 0.897 50 0 biogenic ACAAMO CN(C)CC[NH2+]C1CCN(C)CC1 19702502 343058530 /nfs/dbraw/zinc/05/85/30/343058530.db2.gz UXUAHYOQBHTTML-UHFFFAOYSA-N 1 1 185.315 0.232 50 0 in-vitro ACAAMO C[C@H]1CCC[N@@H+](CCO)C1 19785892 343060459 /nfs/dbraw/zinc/06/04/59/343060459.db2.gz CAMLJDZKPYMXOK-QMMMGPOBSA-N 1 1 143.230 0.711 50 0 ACAAMO CC[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 19470491 343055801 /nfs/dbraw/zinc/05/58/01/343055801.db2.gz XUTIPTGGKMYYIK-NKWVEPMBSA-N 1 1 188.296 0.564 50 0 in-vitro ACAAMO Cc1ccc2c(c1)[C@H]([NH3+])C(=O)N2C 19944072 343064914 /nfs/dbraw/zinc/06/49/14/343064914.db2.gz MIHVXRGWIJOXCB-VIFPVBQESA-N 1 1 176.219 0.971 50 0 in-vitro ACAAMO CN1CCN([C@@H]2CCCC[NH2+]C2)CC1 19947689 343064922 /nfs/dbraw/zinc/06/49/22/343064922.db2.gz JYVKOVOCKMCNCB-LLVKDONJSA-N 1 1 197.326 0.376 50 0 in-vitro ACAAMO CN(CCO)c1ccc(N)[nH+]c1 19952594 343064938 /nfs/dbraw/zinc/06/49/38/343064938.db2.gz XHAHWJKEJRHFHD-UHFFFAOYSA-N 1 1 167.212 0.092 50 0 in-vitro ACAAMO CC(C)NC(=O)C[NH2+]Cc1ccco1 20056624 343066674 /nfs/dbraw/zinc/06/66/74/343066674.db2.gz JANWNRPDWMPMLI-UHFFFAOYSA-N 1 1 196.250 0.894 50 0 ACAAMO C[N@H+](CCO)C1(CN)CCCCC1 20226839 343069972 /nfs/dbraw/zinc/06/99/72/343069972.db2.gz MFBVHAOMZUQOQK-UHFFFAOYSA-N 1 1 186.299 0.572 50 0 in-vitro ACAAMO C[N@@H+](CCO)C1(CN)CCCCC1 20226839 343069973 /nfs/dbraw/zinc/06/99/73/343069973.db2.gz MFBVHAOMZUQOQK-UHFFFAOYSA-N 1 1 186.299 0.572 50 0 in-vitro ACAAMO CN(CCO)C1(C[NH3+])CCCCC1 20226839 343069974 /nfs/dbraw/zinc/06/99/74/343069974.db2.gz MFBVHAOMZUQOQK-UHFFFAOYSA-N 1 1 186.299 0.572 50 0 in-vitro ACAAMO CCC(=O)N1CC[NH+](CC)CC1 20356072 343071998 /nfs/dbraw/zinc/07/19/98/343071998.db2.gz YCPHYWXULMSLMG-UHFFFAOYSA-N 1 1 170.256 0.561 50 0 ACAAMO CN(C)c1[nH+]cccc1N 20317402 343072028 /nfs/dbraw/zinc/07/20/28/343072028.db2.gz IFJCSNNYWNTFDD-UHFFFAOYSA-N 1 1 137.186 0.730 50 0 in-vitro ACAAMO C[C@H]1CC[NH2+]CC1=O 21987920 343077165 /nfs/dbraw/zinc/07/71/65/343077165.db2.gz DBNFGZAIYRBSIE-YFKPBYRVSA-N 1 1 113.160 0.185 50 0 ACAAMO C[N@H+]1CCC[C@H](O)CC1 21298466 343075188 /nfs/dbraw/zinc/07/51/88/343075188.db2.gz GLXOHWLGZMRLRM-ZETCQYMHSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO C[C@H]1NCC[N@H+]2CCC[C@@H]12 20999725 343075238 /nfs/dbraw/zinc/07/52/38/343075238.db2.gz JTFHNFCIQLHQAY-SFYZADRCSA-N 1 1 140.230 0.443 50 0 in-vitro ACAAMO CC[C@]1(C)C[C@]2(CCO1)CNCC[NH2+]2 22593610 343081931 /nfs/dbraw/zinc/08/19/31/343081931.db2.gz ROHPOJQPAAMVIN-GHMZBOCLSA-N 1 1 198.310 0.897 50 0 ACAAMO CC(C)N1CC[C@H]([NH3+])C1 22942078 343082925 /nfs/dbraw/zinc/08/29/25/343082925.db2.gz SYMMPPWYYXRLJX-ZETCQYMHSA-N 1 1 128.219 0.428 50 0 in-vitro ACAAMO CC(C)[C@@H](C[NH3+])N1CCN(C)CC1 22921586 343082979 /nfs/dbraw/zinc/08/29/79/343082979.db2.gz NZOHMOAESFGOTF-SNVBAGLBSA-N 1 1 185.315 0.217 50 0 ACAAMO CC(C)[C@H](C[NH3+])N1CCN(C)CC1 22921591 343083009 /nfs/dbraw/zinc/08/30/09/343083009.db2.gz NZOHMOAESFGOTF-JTQLQIEISA-N 1 1 185.315 0.217 50 0 ACAAMO CCC[N@@H+]1CCCNCC1 23070641 343083281 /nfs/dbraw/zinc/08/32/81/343083281.db2.gz GXRSWAZGYHZTSQ-UHFFFAOYSA-N 1 1 142.246 0.692 50 0 in-vitro ACAAMO CCC[N@H+]1CCCNCC1 23070641 343083282 /nfs/dbraw/zinc/08/32/82/343083282.db2.gz GXRSWAZGYHZTSQ-UHFFFAOYSA-N 1 1 142.246 0.692 50 0 in-vitro ACAAMO CCCN1CCC[NH2+]CC1 23070641 343083284 /nfs/dbraw/zinc/08/32/84/343083284.db2.gz GXRSWAZGYHZTSQ-UHFFFAOYSA-N 1 1 142.246 0.692 50 0 in-vitro ACAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1 23162784 343083386 /nfs/dbraw/zinc/08/33/86/343083386.db2.gz ZUILOGVUGKBLHW-JGVFFNPUSA-N 1 1 140.230 0.443 50 0 in-vitro ACAAMO C[N@@H+]1CCNCC1(C)C 23094206 343083417 /nfs/dbraw/zinc/08/34/17/343083417.db2.gz RFAPOGMFZTYBEW-UHFFFAOYSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO C[N@H+]1CCNCC1(C)C 23094206 343083418 /nfs/dbraw/zinc/08/34/18/343083418.db2.gz RFAPOGMFZTYBEW-UHFFFAOYSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CN(C)CC[N@@H+](C)[C@@H]1CCSC1 23550026 343083962 /nfs/dbraw/zinc/08/39/62/343083962.db2.gz MHEFUSLDOIOQKY-SECBINFHSA-N 1 1 188.340 0.985 50 0 ACAAMO CN(CC[NH+](C)C)[C@@H]1CCSC1 23550026 343083963 /nfs/dbraw/zinc/08/39/63/343083963.db2.gz MHEFUSLDOIOQKY-SECBINFHSA-N 1 1 188.340 0.985 50 0 ACAAMO CN(C)CC[N@@H+](C)[C@H]1CCSC1 23550027 343083978 /nfs/dbraw/zinc/08/39/78/343083978.db2.gz MHEFUSLDOIOQKY-VIFPVBQESA-N 1 1 188.340 0.985 50 0 ACAAMO CN(CC[NH+](C)C)[C@H]1CCSC1 23550027 343083979 /nfs/dbraw/zinc/08/39/79/343083979.db2.gz MHEFUSLDOIOQKY-VIFPVBQESA-N 1 1 188.340 0.985 50 0 ACAAMO CC(C)[N@@H+](CCN)C1CC1 23810739 343084479 /nfs/dbraw/zinc/08/44/79/343084479.db2.gz OHVBKCDWGYTWFH-UHFFFAOYSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)N(CC[NH3+])C1CC1 23810739 343084480 /nfs/dbraw/zinc/08/44/80/343084480.db2.gz OHVBKCDWGYTWFH-UHFFFAOYSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO C[C@H]1C[C@@H](N)C[N@@H+]1C1CC1 23844648 343084488 /nfs/dbraw/zinc/08/44/88/343084488.db2.gz BXEZDTWKLTUSIV-NKWVEPMBSA-N 1 1 140.230 0.570 50 0 in-vitro ACAAMO C[C@H]1C[C@@H](N)C[N@H+]1C1CC1 23844648 343084489 /nfs/dbraw/zinc/08/44/89/343084489.db2.gz BXEZDTWKLTUSIV-NKWVEPMBSA-N 1 1 140.230 0.570 50 0 in-vitro ACAAMO CCC[N@H+](CCN)C1CC1 23803757 343084513 /nfs/dbraw/zinc/08/45/13/343084513.db2.gz BOTDXKZGQYXZRT-UHFFFAOYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CCC[N@@H+](CCN)C1CC1 23803757 343084514 /nfs/dbraw/zinc/08/45/14/343084514.db2.gz BOTDXKZGQYXZRT-UHFFFAOYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO Cc1cc[nH+]c(NN)n1 25491319 343086376 /nfs/dbraw/zinc/08/63/76/343086376.db2.gz WUKBRNKMQNEPAW-UHFFFAOYSA-N 1 1 124.147 0.071 50 0 ACAAMO CCCC[N@H+]1CC[C@@H](N)C1 31996451 343095235 /nfs/dbraw/zinc/09/52/35/343095235.db2.gz WZQVWDRDYHYXBG-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 ACAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1 26472109 343088719 /nfs/dbraw/zinc/08/87/19/343088719.db2.gz VJSUDAXXXXTREH-DTWKUNHWSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO CCc1cc(C[NH3+])n[nH]1 26547201 343090445 /nfs/dbraw/zinc/09/04/45/343090445.db2.gz QBUQWOXNOUFIGB-UHFFFAOYSA-N 1 1 125.175 0.431 50 0 in-vitro ACAAMO C[C@@H]1[NH2+][C@H](C)CN[C@@H]1C 33950781 343108103 /nfs/dbraw/zinc/10/81/03/343108103.db2.gz OMEMBAXECFIRSG-QYNIQEEDSA-N 1 1 128.219 0.345 50 0 ACAAMO C[C@@H]1NC[C@@H](C)[NH2+][C@H]1C 33950783 343108139 /nfs/dbraw/zinc/10/81/39/343108139.db2.gz OMEMBAXECFIRSG-VQVTYTSYSA-N 1 1 128.219 0.345 50 0 ACAAMO C[C@H]1C[N@H+](C)[C@H](C)CN1 32915050 343103919 /nfs/dbraw/zinc/10/39/19/343103919.db2.gz CDHYSFKPWCVXHZ-NKWVEPMBSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+](C)[C@H](C)CN1 32915050 343103920 /nfs/dbraw/zinc/10/39/20/343103920.db2.gz CDHYSFKPWCVXHZ-NKWVEPMBSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO Cc1[nH+]ccn1CCCO 33414365 343104592 /nfs/dbraw/zinc/10/45/92/343104592.db2.gz YAWYZRXSWDINCM-UHFFFAOYSA-N 1 1 140.186 0.574 50 0 ACAAMO C[N@H+]1CCC[C@H](C2OCCO2)C1 34091008 343110326 /nfs/dbraw/zinc/11/03/26/343110326.db2.gz PDZDWPHCSFLQAB-QMMMGPOBSA-N 1 1 171.240 0.701 50 0 in-vitro ACAAMO C[C@H](N)[C@H]1CCC[NH2+]1 34343617 343117188 /nfs/dbraw/zinc/11/71/88/343117188.db2.gz KAEAOSROYJPPIZ-NTSWFWBYSA-N 1 1 114.192 0.086 50 0 in-vitro ACAAMO C[N@@H+](CCO)C1CC1 35649859 343135506 /nfs/dbraw/zinc/13/55/06/343135506.db2.gz OSLUBCFDADJJFO-UHFFFAOYSA-N 1 1 115.176 0.073 50 0 in-vitro ACAAMO CC[C@H](C)[N@H+]1CC[C@H](N)C1 36091774 343140582 /nfs/dbraw/zinc/14/05/82/343140582.db2.gz UYZDDPIZRFTWMM-YUMQZZPRSA-N 1 1 142.246 0.818 50 0 ACAAMO CC1(C)C[N@@H+](CCO)CCO1 36232939 343142363 /nfs/dbraw/zinc/14/23/63/343142363.db2.gz RCXHBDYSIIVSHV-UHFFFAOYSA-N 1 1 159.229 0.090 50 0 ACAAMO CC[C@H](C)[N@@H+](C)CCN 37109523 343159756 /nfs/dbraw/zinc/15/97/56/343159756.db2.gz BKUIZZSXNHURBW-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[C@H](C)N(C)CC[NH3+] 37109523 343159757 /nfs/dbraw/zinc/15/97/57/343159757.db2.gz BKUIZZSXNHURBW-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CCC[N@H+](C)CCN 37097917 343159841 /nfs/dbraw/zinc/15/98/41/343159841.db2.gz MEZKKZTWNNWYBQ-UHFFFAOYSA-N 1 1 116.208 0.287 50 0 ACAAMO CCC[N@@H+](C)CCN 37097917 343159842 /nfs/dbraw/zinc/15/98/42/343159842.db2.gz MEZKKZTWNNWYBQ-UHFFFAOYSA-N 1 1 116.208 0.287 50 0 ACAAMO C[C@H]1CCC[N@H+]1CCO 38000088 343182931 /nfs/dbraw/zinc/18/29/31/343182931.db2.gz CTINRKGSNIHQMR-ZETCQYMHSA-N 1 1 129.203 0.463 50 0 ACAAMO CC[C@@H](N)C[NH+]1CCCC1 38801431 343190686 /nfs/dbraw/zinc/19/06/86/343190686.db2.gz JGFPTUFHGRZOJJ-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CC[C@@H]([NH3+])CN1CCCC1 38801431 343190687 /nfs/dbraw/zinc/19/06/87/343190687.db2.gz JGFPTUFHGRZOJJ-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[N@H+]1CCc2ncncc2C1 39052981 343194514 /nfs/dbraw/zinc/19/45/14/343194514.db2.gz QZQXULGWXOLHJB-UHFFFAOYSA-N 1 1 149.197 0.465 50 0 in-vitro ACAAMO CC[C@H](N)C[NH+]1CCCC1 38801428 343190563 /nfs/dbraw/zinc/19/05/63/343190563.db2.gz JGFPTUFHGRZOJJ-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CC[C@H]([NH3+])CN1CCCC1 38801428 343190564 /nfs/dbraw/zinc/19/05/64/343190564.db2.gz JGFPTUFHGRZOJJ-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[N@@H+]1CCN[C@@H](C(C)(C)C)C1 39113571 343199996 /nfs/dbraw/zinc/19/99/96/343199996.db2.gz JUYGOAGUPDFXFA-MRVPVSSYSA-N 1 1 156.273 0.936 50 0 ACAAMO C[N@H+]1CCN[C@@H](C(C)(C)C)C1 39113571 343199997 /nfs/dbraw/zinc/19/99/97/343199997.db2.gz JUYGOAGUPDFXFA-MRVPVSSYSA-N 1 1 156.273 0.936 50 0 ACAAMO C[N@@H+]1CCN[C@H](C(C)(C)C)C1 39113570 343200023 /nfs/dbraw/zinc/20/00/23/343200023.db2.gz JUYGOAGUPDFXFA-QMMMGPOBSA-N 1 1 156.273 0.936 50 0 ACAAMO C[N@H+]1CCN[C@H](C(C)(C)C)C1 39113570 343200024 /nfs/dbraw/zinc/20/00/24/343200024.db2.gz JUYGOAGUPDFXFA-QMMMGPOBSA-N 1 1 156.273 0.936 50 0 ACAAMO C=CC[C@H](C(=O)OC)[NH+](C)C 39074250 343196343 /nfs/dbraw/zinc/19/63/43/343196343.db2.gz YOPNWIQNZIMUIT-SSDOTTSWSA-N 1 1 157.213 0.666 50 0 ACAAMO C[C@H]1[C@H]([NH3+])C2CCN1CC2 39078636 343196605 /nfs/dbraw/zinc/19/66/05/343196605.db2.gz NIBLFQFBAYHCQS-XPUUQOCRSA-N 1 1 140.230 0.428 50 0 ACAAMO CC1(C)CNCC(C)(C)[NH2+]1 39270110 343209368 /nfs/dbraw/zinc/20/93/68/343209368.db2.gz ADVWVIQNAOXLCV-UHFFFAOYSA-N 1 1 142.246 0.736 50 0 in-vitro ACAAMO CC[C@H](N)[C@@H]([NH3+])CC 39259723 343208946 /nfs/dbraw/zinc/20/89/46/343208946.db2.gz IWCAQTQMDRGMPI-WDSKDSINSA-N 1 1 116.208 0.461 50 0 ACAAMO C[NH+]1CCN(C(=O)N2CCCC2)CC1 39374413 343211665 /nfs/dbraw/zinc/21/16/65/343211665.db2.gz PYVZLUBYJFMWRS-UHFFFAOYSA-N 1 1 197.282 0.450 50 0 ACAAMO CNC(=O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 41363030 343233318 /nfs/dbraw/zinc/23/33/18/343233318.db2.gz OQDNVVQCKWELKM-DTORHVGOSA-N 1 1 184.283 0.710 50 0 ACAAMO CC(C)[C@@H]([NH3+])c1nc[nH]n1 42040911 343237514 /nfs/dbraw/zinc/23/75/14/343237514.db2.gz JNAWOXFYVZVZJF-RXMQYKEDSA-N 1 1 140.190 0.461 50 0 in-vitro ACAAMO CC(C)N[C@@H]1CCC[NH2+]C1 43323673 343251524 /nfs/dbraw/zinc/25/15/24/343251524.db2.gz XAXUUHPCEVNZFT-MRVPVSSYSA-N 1 1 142.246 0.736 50 0 in-vitro ACAAMO CC(C)c1n[nH]c([C@H]2C[NH2+]CCO2)n1 43705455 343259565 /nfs/dbraw/zinc/25/95/65/343259565.db2.gz LHFXYMDEEGINSH-SSDOTTSWSA-N 1 1 196.254 0.589 50 0 in-vitro ACAAMO Cc1nc([C@@H]2CCC[NH2+]C2)n[nH]1 48630540 343275028 /nfs/dbraw/zinc/27/50/28/343275028.db2.gz LQRBMNJCBSBPDJ-SSDOTTSWSA-N 1 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70937178 166352285 /nfs/dbraw/zinc/35/22/85/166352285.db2.gz GTSCYEMWDOTJFH-UHFFFAOYSA-N 1 1 170.256 0.464 50 0 ACAAMO CC(C)(C)[N@H+]1CC[C@@H]1CO 1722212 166359068 /nfs/dbraw/zinc/35/90/68/166359068.db2.gz VGWGGPWCDSSOEC-SSDOTTSWSA-N 1 1 143.230 0.852 50 0 ACAAMO CC(C)(C)N1CC[NH2+]CC1=O 39080890 166359111 /nfs/dbraw/zinc/35/91/11/166359111.db2.gz TZHWGNAPUMDIQM-UHFFFAOYSA-N 1 1 156.229 0.217 50 0 in-vitro ACAAMO CC(C)(C)N1CC[NH2+]CC1 19801188 166359222 /nfs/dbraw/zinc/35/92/22/166359222.db2.gz PVMNSAIKFPWDQG-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO CC(C)(C)[N@H+]1CC[C@H](N)C1 33426991 166359705 /nfs/dbraw/zinc/35/97/05/166359705.db2.gz UTEZMBDWXGWOQJ-ZETCQYMHSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)(C)[N@H+]1CC[C@H]1CO 4982854 166360190 /nfs/dbraw/zinc/36/01/90/166360190.db2.gz VGWGGPWCDSSOEC-ZETCQYMHSA-N 1 1 143.230 0.852 50 0 ACAAMO CC(C)(C)[N@@H+]1CC[C@@H]1CN 19366557 166360885 /nfs/dbraw/zinc/36/08/85/166360885.db2.gz FPTNQKRYZXLXLB-SSDOTTSWSA-N 1 1 142.246 0.818 50 0 ACAAMO CC(C)(C)[N@H+]1CC[C@@H]1CN 19366557 166360887 /nfs/dbraw/zinc/36/08/87/166360887.db2.gz FPTNQKRYZXLXLB-SSDOTTSWSA-N 1 1 142.246 0.818 50 0 ACAAMO CC(C)(C)[N@H+]1CC[C@@H](O)C1 77260436 166361021 /nfs/dbraw/zinc/36/10/21/166361021.db2.gz FOETXFLONXERFX-SSDOTTSWSA-N 1 1 143.230 0.852 50 0 ACAAMO CC(C)(C)[N@H+]1CC[C@@H](N)C1 33426990 166361069 /nfs/dbraw/zinc/36/10/69/166361069.db2.gz UTEZMBDWXGWOQJ-SSDOTTSWSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)(C)[N@@H+]1CC[C@H]1CN 22586514 166361159 /nfs/dbraw/zinc/36/11/59/166361159.db2.gz FPTNQKRYZXLXLB-ZETCQYMHSA-N 1 1 142.246 0.818 50 0 ACAAMO CC(C)(C)[N@H+]1CC[C@H]1CN 22586514 166361161 /nfs/dbraw/zinc/36/11/61/166361161.db2.gz FPTNQKRYZXLXLB-ZETCQYMHSA-N 1 1 142.246 0.818 50 0 ACAAMO CC(C)(C)[N@H+]1CC[C@H](O)C1 77260435 166361390 /nfs/dbraw/zinc/36/13/90/166361390.db2.gz FOETXFLONXERFX-ZETCQYMHSA-N 1 1 143.230 0.852 50 0 ACAAMO CC(C)(C)NC(=O)[C@@H]1CSC[NH2+]1 95939016 166363571 /nfs/dbraw/zinc/36/35/71/166363571.db2.gz CAFXTIBLUGDWNC-LURJTMIESA-N 1 1 188.296 0.564 50 0 in-vitro ACAAMO CC(C)(C)NC(=O)[C@H]1CSC[NH2+]1 95939017 166363945 /nfs/dbraw/zinc/36/39/45/166363945.db2.gz CAFXTIBLUGDWNC-ZCFIWIBFSA-N 1 1 188.296 0.564 50 0 in-vitro ACAAMO CC(C)(C)OC(=O)C[NH3+] 53993660 166368729 /nfs/dbraw/zinc/36/87/29/166368729.db2.gz SJMDMGHPMLKLHQ-UHFFFAOYSA-N 1 1 131.175 0.287 50 0 in-vitro ACAAMO CC(C)(C)OC(=O)[C@H]1C[NH2+]CCO1 43705345 166370521 /nfs/dbraw/zinc/37/05/21/166370521.db2.gz CIVVMBFFZUTYIR-SSDOTTSWSA-N 1 1 187.239 0.317 50 0 in-vitro ACAAMO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CCO1 43705344 166371345 /nfs/dbraw/zinc/37/13/45/166371345.db2.gz CIVVMBFFZUTYIR-ZETCQYMHSA-N 1 1 187.239 0.317 50 0 in-vitro ACAAMO CC(C)(C)[C@@H]1C[NH2+]CCN1 21983634 166376307 /nfs/dbraw/zinc/37/63/07/166376307.db2.gz ZXJUSCSGOOZJMN-ZETCQYMHSA-N 1 1 142.246 0.594 50 0 ACAAMO CC(C)(C)[C@@H]1[NH2+]CCNC1=O 51925334 166377243 /nfs/dbraw/zinc/37/72/43/166377243.db2.gz SPCDFDAQOUYVTP-ZCFIWIBFSA-N 1 1 156.229 0.121 50 0 ACAAMO CC(C)(C)[C@@H](O)C[NH+]1CCNCC1 22043787 166377252 /nfs/dbraw/zinc/37/72/52/166377252.db2.gz YYZISBUWORXDCV-VIFPVBQESA-N 1 1 186.299 0.299 50 0 in-vitro ACAAMO CC(C)(C)[C@H](O)C[NH+]1CCNCC1 22043784 166379683 /nfs/dbraw/zinc/37/96/83/166379683.db2.gz YYZISBUWORXDCV-SECBINFHSA-N 1 1 186.299 0.299 50 0 in-vitro ACAAMO CC(C)(C)[C@H](N)C[NH3+] 19367838 166379952 /nfs/dbraw/zinc/37/99/52/166379952.db2.gz KKMKAWJAGGJWTJ-RXMQYKEDSA-N 1 1 116.208 0.319 50 0 in-vitro ACAAMO CC(C)(C)[C@H]1[NH2+]CCNC1=O 51925332 166380842 /nfs/dbraw/zinc/38/08/42/166380842.db2.gz SPCDFDAQOUYVTP-LURJTMIESA-N 1 1 156.229 0.121 50 0 ACAAMO CC(C)(C)[C@H]1C[NH2+]CCN1 21983636 166380956 /nfs/dbraw/zinc/38/09/56/166380956.db2.gz ZXJUSCSGOOZJMN-SSDOTTSWSA-N 1 1 142.246 0.594 50 0 in-vitro ACAAMO CC(C)(C)[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1 72233296 166382111 /nfs/dbraw/zinc/38/21/11/166382111.db2.gz FEFJZNJHJVEBIJ-IVZWLZJFSA-N 1 1 198.310 0.440 50 0 ACAAMO CC(C)(C)c1nc(C[NH3+])no1 8729401 166387373 /nfs/dbraw/zinc/38/73/73/166387373.db2.gz DEMYOKSOUVVNGZ-UHFFFAOYSA-N 1 1 155.201 0.826 50 0 in-vitro ACAAMO CC(C)(C)c1noc(C[NH3+])n1 21815809 166389638 /nfs/dbraw/zinc/38/96/38/166389638.db2.gz VPSNFEHZWICSMN-UHFFFAOYSA-N 1 1 155.201 0.826 50 0 in-vitro ACAAMO CC(C)(C)c1nnc2n1CC[NH2+]C2 53709721 166389707 /nfs/dbraw/zinc/38/97/07/166389707.db2.gz RDSADDHILQXZRH-UHFFFAOYSA-N 1 1 180.255 0.679 50 0 in-vitro ACAAMO CC(C)(CN)[NH+]1CCCC1 19795795 166394313 /nfs/dbraw/zinc/39/43/13/166394313.db2.gz GVGRFFLFCVMJOH-UHFFFAOYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CC(C)(CO)Nc1[nH+]cccc1N 35600061 166397818 /nfs/dbraw/zinc/39/78/18/166397818.db2.gz SGIICYSMLCSAFI-UHFFFAOYSA-N 1 1 181.239 0.847 50 0 ACAAMO CC(C)CN1CC[NH2+][C@H](C)C1=O 19088706 166462272 /nfs/dbraw/zinc/46/22/72/166462272.db2.gz AWUWXCZVZPICPB-MRVPVSSYSA-N 1 1 170.256 0.463 50 0 in-vitro ACAAMO CC(C)CN1CC[NH2+]CC1=O 16944214 166464057 /nfs/dbraw/zinc/46/40/57/166464057.db2.gz YULBVDIZTAMXKS-UHFFFAOYSA-N 1 1 156.229 0.074 50 0 in-vitro ACAAMO CC(C)N1C(=O)C[NH2+]CC1(C)C 68576328 166518213 /nfs/dbraw/zinc/51/82/13/166518213.db2.gz LNUPKYZXVGHSNU-UHFFFAOYSA-N 1 1 170.256 0.605 50 0 in-vitro ACAAMO CC(C)OCCN1CCC([NH3+])CC1 49258824 166558232 /nfs/dbraw/zinc/55/82/32/166558232.db2.gz DIQIGODADKVZEQ-UHFFFAOYSA-N 1 1 186.299 0.835 50 0 in-vitro ACAAMO CCCCCOC(=O)C[NH3+] 35193835 166868007 /nfs/dbraw/zinc/86/80/07/166868007.db2.gz UUDOEDPNQYWTMU-UHFFFAOYSA-N 1 1 145.202 0.679 50 0 ACAAMO CCCN(C)C(=O)[C@@H]1CSC[NH2+]1 96301093 166937413 /nfs/dbraw/zinc/93/74/13/166937413.db2.gz RQLLSUVQTLENGB-ZETCQYMHSA-N 1 1 188.296 0.517 50 0 ACAAMO CCCNC(=O)N1CC[NH+](C)CC1 6704616 166978687 /nfs/dbraw/zinc/97/86/87/166978687.db2.gz FMYNCYDORCRGJY-UHFFFAOYSA-N 1 1 185.271 0.353 50 0 ACAAMO CCCOC(=O)[C@H](C)[NH3+] 96347257 167012782 /nfs/dbraw/zinc/01/27/82/167012782.db2.gz GSMUZACKUHJQDP-YFKPBYRVSA-N 1 1 131.175 0.287 50 0 ACAAMO CCC[C@@H](CN)[NH+](C)C 23067948 167040533 /nfs/dbraw/zinc/04/05/33/167040533.db2.gz PLHKKHOLOZDWIB-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CCC[C@@H](CO)[NH+]1CCNCC1 38120865 167042045 /nfs/dbraw/zinc/04/20/45/167042045.db2.gz CYPYMTUXBWPDSO-VIFPVBQESA-N 1 1 172.272 0.053 50 0 in-vitro ACAAMO CCC[C@@H]([NH3+])C(=O)OC 35402152 167043549 /nfs/dbraw/zinc/04/35/49/167043549.db2.gz VXGRMCZTYDXKQW-RXMQYKEDSA-N 1 1 131.175 0.287 50 0 in-vitro ACAAMO CCC[C@@H]([NH3+])C(=O)OCC 21984512 167044794 /nfs/dbraw/zinc/04/47/94/167044794.db2.gz DPBOUPADTRCCIH-ZCFIWIBFSA-N 1 1 145.202 0.677 50 0 in-vitro ACAAMO CCC[C@@H]1C[NH2+]CCN1 34454789 167053638 /nfs/dbraw/zinc/05/36/38/167053638.db2.gz FNJWLOHHZVGUIX-SSDOTTSWSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO CCC[C@@H]1CNCC[N@@H+]1CCOC 82926754 167054279 /nfs/dbraw/zinc/05/42/79/167054279.db2.gz HCXZOCPNDAEQDW-SNVBAGLBSA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCC[C@@H]1CNCC[N@H+]1CCOC 82926754 167054282 /nfs/dbraw/zinc/05/42/82/167054282.db2.gz HCXZOCPNDAEQDW-SNVBAGLBSA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCC[C@@](C)([NH3+])CN 35676968 167057761 /nfs/dbraw/zinc/05/77/61/167057761.db2.gz XUDPMVLRRITCFQ-ZCFIWIBFSA-N 1 1 116.208 0.463 50 0 in-vitro ACAAMO CCC[C@H](CN)[NH+](C)C 23067950 167075225 /nfs/dbraw/zinc/07/52/25/167075225.db2.gz PLHKKHOLOZDWIB-SSDOTTSWSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CCC[C@H](CO)[NH+]1CCNCC1 38120866 167077593 /nfs/dbraw/zinc/07/75/93/167077593.db2.gz CYPYMTUXBWPDSO-SECBINFHSA-N 1 1 172.272 0.053 50 0 in-vitro ACAAMO CCC[C@H]([NH3+])C(=O)OC 35402149 167078553 /nfs/dbraw/zinc/07/85/53/167078553.db2.gz VXGRMCZTYDXKQW-YFKPBYRVSA-N 1 1 131.175 0.287 50 0 in-vitro ACAAMO CCC[C@H]([NH3+])C(=O)OCC 32219020 167078750 /nfs/dbraw/zinc/07/87/50/167078750.db2.gz DPBOUPADTRCCIH-LURJTMIESA-N 1 1 145.202 0.677 50 0 in-vitro ACAAMO CCC[C@H]1C[NH2+]CCN1 39095696 167089963 /nfs/dbraw/zinc/08/99/63/167089963.db2.gz FNJWLOHHZVGUIX-ZETCQYMHSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO CCC[C@H]1CNCC[N@@H+]1CCOC 82926757 167091054 /nfs/dbraw/zinc/09/10/54/167091054.db2.gz HCXZOCPNDAEQDW-JTQLQIEISA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCC[C@H]1CNCC[N@H+]1CCOC 82926757 167091056 /nfs/dbraw/zinc/09/10/56/167091056.db2.gz HCXZOCPNDAEQDW-JTQLQIEISA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCC[C@](C)([NH3+])CN 35676967 167094049 /nfs/dbraw/zinc/09/40/49/167094049.db2.gz XUDPMVLRRITCFQ-LURJTMIESA-N 1 1 116.208 0.463 50 0 in-vitro ACAAMO CCCc1cc(C[NH3+])n[nH]1 26545480 167098614 /nfs/dbraw/zinc/09/86/14/167098614.db2.gz NKVMEFCQFIHAEO-UHFFFAOYSA-N 1 1 139.202 0.821 50 0 in-vitro ACAAMO CCCc1noc(C[NH2+]C)n1 19089533 167115425 /nfs/dbraw/zinc/11/54/25/167115425.db2.gz YKLQVPQLDNWCIB-UHFFFAOYSA-N 1 1 155.201 0.742 50 0 in-vitro ACAAMO CCCn1c[nH+]c(N)c1 72193505 167121484 /nfs/dbraw/zinc/12/14/84/167121484.db2.gz SKWZCBKDKBTIGK-UHFFFAOYSA-N 1 1 125.175 0.875 50 0 ACAAMO CCN(C)C(=O)[C@@H]1CSC[NH2+]1 37078925 167136788 /nfs/dbraw/zinc/13/67/88/167136788.db2.gz NYTWLGQVUGEBIU-LURJTMIESA-N 1 1 174.269 0.127 50 0 in-vitro ACAAMO CCN(C)C(=O)[C@H]1CSC[NH2+]1 37078927 167137337 /nfs/dbraw/zinc/13/73/37/167137337.db2.gz NYTWLGQVUGEBIU-ZCFIWIBFSA-N 1 1 174.269 0.127 50 0 in-vitro ACAAMO CCN(C)CC[N@@H+](C)CC 19365684 167138750 /nfs/dbraw/zinc/13/87/50/167138750.db2.gz BWTBHGDNJBIYAQ-UHFFFAOYSA-N 1 1 144.262 0.890 50 0 ACAAMO CC[N@@H+](C)CC(C)=O 19092858 167140021 /nfs/dbraw/zinc/14/00/21/167140021.db2.gz QLOQKEJUTSHYQM-UHFFFAOYSA-N 1 1 115.176 0.527 50 0 in-vitro ACAAMO CC[N@@H+](C)CCNC(=O)c1ccn[nH]1 65403845 167140489 /nfs/dbraw/zinc/14/04/89/167140489.db2.gz UPTBBICBYGGLBE-UHFFFAOYSA-N 1 1 196.254 0.091 50 0 ACAAMO CC[N@@H+](C)CCCO 19092039 167142005 /nfs/dbraw/zinc/14/20/05/167142005.db2.gz TZVYDYIDLQCRHV-UHFFFAOYSA-N 1 1 117.192 0.321 50 0 in-vitro ACAAMO CC[N@H+](C)C1CCNCC1 37078961 167142231 /nfs/dbraw/zinc/14/22/31/167142231.db2.gz JTRGJKPTAQTNAS-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@@H+](C)C1CCNCC1 37078961 167142235 /nfs/dbraw/zinc/14/22/35/167142235.db2.gz JTRGJKPTAQTNAS-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@@H+](C)C(C)(C)CN 23094233 167142694 /nfs/dbraw/zinc/14/26/94/167142694.db2.gz CSGYGWFTUJILNJ-UHFFFAOYSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CCN(C)C(C)(C)C[NH3+] 23094233 167142695 /nfs/dbraw/zinc/14/26/95/167142695.db2.gz CSGYGWFTUJILNJ-UHFFFAOYSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[N@@H+](C)[C@@H](C)CO 19092671 167143746 /nfs/dbraw/zinc/14/37/46/167143746.db2.gz VDKVVJABFRJUOS-LURJTMIESA-N 1 1 117.192 0.319 50 0 in-vitro ACAAMO CC[N@@H+](C)[C@H](C)CO 19092673 167149924 /nfs/dbraw/zinc/14/99/24/167149924.db2.gz VDKVVJABFRJUOS-ZCFIWIBFSA-N 1 1 117.192 0.319 50 0 in-vitro ACAAMO CCN(C1CC[NH2+]CC1)[C@@H]1CCOC1 70543084 167152808 /nfs/dbraw/zinc/15/28/08/167152808.db2.gz VLDVJXNQXXDFON-LLVKDONJSA-N 1 1 198.310 0.849 50 0 ACAAMO CCN(C1CC[NH2+]CC1)[C@H]1CCOC1 70543085 167155559 /nfs/dbraw/zinc/15/55/59/167155559.db2.gz VLDVJXNQXXDFON-NSHDSACASA-N 1 1 198.310 0.849 50 0 ACAAMO CCN(CC)C(=O)[C@@H]1CSC[NH2+]1 19483094 167160617 /nfs/dbraw/zinc/16/06/17/167160617.db2.gz JZKHHIOYTUFMFG-ZETCQYMHSA-N 1 1 188.296 0.517 50 0 in-vitro ACAAMO CCN(CC)C(=O)N1CC[NH+](C)CC1 1288 167161837 /nfs/dbraw/zinc/16/18/37/167161837.db2.gz RCKMWOKWVGPNJF-UHFFFAOYSA-N 1 1 199.298 0.696 50 0 biogenic,world ACAAMO CCN(CC)C(=O)[C@H]1CSC[NH2+]1 19483096 167164551 /nfs/dbraw/zinc/16/45/51/167164551.db2.gz JZKHHIOYTUFMFG-SSDOTTSWSA-N 1 1 188.296 0.517 50 0 in-vitro ACAAMO CC[NH+](CC)CCN 19230110 167165205 /nfs/dbraw/zinc/16/52/05/167165205.db2.gz UDGSVBYJWHOHNN-UHFFFAOYSA-N 1 1 116.208 0.287 50 0 in-vitro ACAAMO CCN(CC)CC[NH+](C)C 20230549 167165281 /nfs/dbraw/zinc/16/52/81/167165281.db2.gz YUKZJEQIDOFUPV-UHFFFAOYSA-N 1 1 144.262 0.890 50 0 ACAAMO CCN(CC)C[C@@H](C)[NH3+] 95079697 167165948 /nfs/dbraw/zinc/16/59/48/167165948.db2.gz ZGZHNQPTNCGKHS-SSDOTTSWSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[NH+](CC)C[C@@H](C)N 95079697 167165949 /nfs/dbraw/zinc/16/59/49/167165949.db2.gz ZGZHNQPTNCGKHS-SSDOTTSWSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[NH+](CC)CCNCCOC 20050511 167167374 /nfs/dbraw/zinc/16/73/74/167167374.db2.gz VHNKYJGEDZBFET-UHFFFAOYSA-N 1 1 174.288 0.564 50 0 in-vitro ACAAMO CCN(CC)C[C@H](C)[NH3+] 95079698 167170321 /nfs/dbraw/zinc/17/03/21/167170321.db2.gz ZGZHNQPTNCGKHS-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[NH+](CC)C[C@H](C)N 95079698 167170326 /nfs/dbraw/zinc/17/03/26/167170326.db2.gz ZGZHNQPTNCGKHS-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CCN(CC)[C@H](C)C[NH3+] 19735766 167171866 /nfs/dbraw/zinc/17/18/66/167171866.db2.gz JNFLSJUGIONDMJ-SSDOTTSWSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[N@@H+](CCN)C(C)C 37081703 167184653 /nfs/dbraw/zinc/18/46/53/167184653.db2.gz QWUJQUJVQRKKNP-UHFFFAOYSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CCN(CC[NH3+])C(C)C 37081703 167184657 /nfs/dbraw/zinc/18/46/57/167184657.db2.gz QWUJQUJVQRKKNP-UHFFFAOYSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[N@@H+](CCO)C1CC1 35649855 167184991 /nfs/dbraw/zinc/18/49/91/167184991.db2.gz RHTKKLUKHAEPFD-UHFFFAOYSA-N 1 1 129.203 0.463 50 0 ACAAMO CC[N@@H+](CCO)C(C)C 35116611 167185262 /nfs/dbraw/zinc/18/52/62/167185262.db2.gz OKRCCMFEBPRZQH-UHFFFAOYSA-N 1 1 131.219 0.709 50 0 ACAAMO CC[N@H+](CCN)C1CC1 37079477 167185724 /nfs/dbraw/zinc/18/57/24/167185724.db2.gz PCRMAYOLQMQWRH-UHFFFAOYSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CC[N@@H+](CCN)C1CC1 37079477 167185725 /nfs/dbraw/zinc/18/57/25/167185725.db2.gz PCRMAYOLQMQWRH-UHFFFAOYSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CC[N@@H+](CCN)CC(C)C 37111016 167186594 /nfs/dbraw/zinc/18/65/94/167186594.db2.gz WYHZXLQURXOGSM-UHFFFAOYSA-N 1 1 144.262 0.923 50 0 in-vitro ACAAMO CCN(CC[NH3+])CC(C)C 37111016 167186595 /nfs/dbraw/zinc/18/65/95/167186595.db2.gz WYHZXLQURXOGSM-UHFFFAOYSA-N 1 1 144.262 0.923 50 0 in-vitro ACAAMO CCN(CCO)c1[nH+]cccc1N 20317363 167187014 /nfs/dbraw/zinc/18/70/14/167187014.db2.gz DRJVOKYGJZUUHZ-UHFFFAOYSA-N 1 1 181.239 0.482 50 0 ACAAMO CCN(CCO)c1ccc(N)c[nH+]1 19621263 167187271 /nfs/dbraw/zinc/18/72/71/167187271.db2.gz BERSOJVFSIDLOU-UHFFFAOYSA-N 1 1 181.239 0.482 50 0 ACAAMO CC[N@H+]1CCC(=O)[C@@H](C)C1 1235041 167198082 /nfs/dbraw/zinc/19/80/82/167198082.db2.gz DZPMPRBBBQMILW-ZETCQYMHSA-N 1 1 141.214 0.917 50 0 in-vitro ACAAMO CC[N@H+]1CCC(=O)[C@H](C)C1 1235043 167198229 /nfs/dbraw/zinc/19/82/29/167198229.db2.gz DZPMPRBBBQMILW-SSDOTTSWSA-N 1 1 141.214 0.917 50 0 in-vitro ACAAMO CC[N@@H+]1CCC(O)=C(C(=O)OC)C1 49585037 167199251 /nfs/dbraw/zinc/19/92/51/167199251.db2.gz LBJQXRUNQYWMST-SSDOTTSWSA-N 1 1 185.223 0.070 50 0 ACAAMO CC[N@H+]1CCC(O)=C(C(=O)OC)C1 49585037 167199254 /nfs/dbraw/zinc/19/92/54/167199254.db2.gz LBJQXRUNQYWMST-SSDOTTSWSA-N 1 1 185.223 0.070 50 0 ACAAMO CC[N@@H+]1CCC(O)=C(C(=O)OC)C1 49585039 167199868 /nfs/dbraw/zinc/19/98/68/167199868.db2.gz LBJQXRUNQYWMST-ZETCQYMHSA-N 1 1 185.223 0.070 50 0 ACAAMO CC[N@H+]1CCC(O)=C(C(=O)OC)C1 49585039 167199869 /nfs/dbraw/zinc/19/98/69/167199869.db2.gz LBJQXRUNQYWMST-ZETCQYMHSA-N 1 1 185.223 0.070 50 0 ACAAMO CC[NH+]1CCC(=O)CC1 2560372 167200296 /nfs/dbraw/zinc/20/02/96/167200296.db2.gz BDVKAMAALQXGLM-UHFFFAOYSA-N 1 1 127.187 0.671 50 0 in-vitro ACAAMO CCN1CCC([NH2+]CCOC)CC1 2897674 167201347 /nfs/dbraw/zinc/20/13/47/167201347.db2.gz GQQFGTMIAXRKCW-UHFFFAOYSA-N 1 1 186.299 0.707 50 0 ACAAMO CC[N@H+]1CCCC[C@@H](N)C1 34615865 167202105 /nfs/dbraw/zinc/20/21/05/167202105.db2.gz DODHTIZNAOJSHI-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 ACAAMO CCN1CCCC[C@@H]([NH3+])C1 34615865 167202107 /nfs/dbraw/zinc/20/21/07/167202107.db2.gz DODHTIZNAOJSHI-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 ACAAMO CC[N@H+]1CCCC[C@@H]1CO 42383679 167202163 /nfs/dbraw/zinc/20/21/63/167202163.db2.gz QDCVURQLJNIQBY-MRVPVSSYSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO CC[N@@H+]1CCCNC[C@H]1C 23699248 167202399 /nfs/dbraw/zinc/20/23/99/167202399.db2.gz GSVAAWWZBRXGBU-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@H+]1CCCNC[C@H]1C 23699248 167202403 /nfs/dbraw/zinc/20/24/03/167202403.db2.gz GSVAAWWZBRXGBU-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CCN1CCC[NH2+]C[C@H]1C 23699248 167202405 /nfs/dbraw/zinc/20/24/05/167202405.db2.gz GSVAAWWZBRXGBU-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@H+]1CCCC[C@H]1CN 32445514 167202551 /nfs/dbraw/zinc/20/25/51/167202551.db2.gz LEKNBLYGRWKNSE-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CCN1CCCC[C@H]1C[NH3+] 32445514 167202553 /nfs/dbraw/zinc/20/25/53/167202553.db2.gz LEKNBLYGRWKNSE-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CCN1CCC[NH2+]CC1 19255313 167202605 /nfs/dbraw/zinc/20/26/05/167202605.db2.gz CWFLFGDTTKLLGN-UHFFFAOYSA-N 1 1 128.219 0.302 50 0 in-vitro ACAAMO CC[N@@H+]1CCCNCC1 19255313 167202608 /nfs/dbraw/zinc/20/26/08/167202608.db2.gz CWFLFGDTTKLLGN-UHFFFAOYSA-N 1 1 128.219 0.302 50 0 in-vitro ACAAMO CC[N@H+]1CCCNCC1 19255313 167202609 /nfs/dbraw/zinc/20/26/09/167202609.db2.gz CWFLFGDTTKLLGN-UHFFFAOYSA-N 1 1 128.219 0.302 50 0 in-vitro ACAAMO CC[N@H+]1CCCC[C@H]1CO 42383681 167202826 /nfs/dbraw/zinc/20/28/26/167202826.db2.gz QDCVURQLJNIQBY-QMMMGPOBSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO CC[N@@H+]1CCCNC[C@@H]1C 23699245 167202959 /nfs/dbraw/zinc/20/29/59/167202959.db2.gz GSVAAWWZBRXGBU-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@H+]1CCCNC[C@@H]1C 23699245 167202961 /nfs/dbraw/zinc/20/29/61/167202961.db2.gz GSVAAWWZBRXGBU-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CCN1CCC[NH2+]C[C@@H]1C 23699245 167202962 /nfs/dbraw/zinc/20/29/62/167202962.db2.gz GSVAAWWZBRXGBU-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CCN1CCC([NH2+]C)CC1 12505647 167203018 /nfs/dbraw/zinc/20/30/18/167203018.db2.gz FYPFTVGAZOKJRE-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO CCN1CCC[NH2+][C@H](C)C1 62566266 167203380 /nfs/dbraw/zinc/20/33/80/167203380.db2.gz LGNIAGRSQCMQNR-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@@H+]1CCCN[C@H](C)C1 62566266 167203383 /nfs/dbraw/zinc/20/33/83/167203383.db2.gz LGNIAGRSQCMQNR-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@H+]1CCCN[C@H](C)C1 62566266 167203385 /nfs/dbraw/zinc/20/33/85/167203385.db2.gz LGNIAGRSQCMQNR-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CCN1CCC[NH2+][C@@H](C)C1 62566268 167203913 /nfs/dbraw/zinc/20/39/13/167203913.db2.gz LGNIAGRSQCMQNR-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@@H+]1CCCN[C@@H](C)C1 62566268 167203914 /nfs/dbraw/zinc/20/39/14/167203914.db2.gz LGNIAGRSQCMQNR-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@H+]1CCCN[C@@H](C)C1 62566268 167203915 /nfs/dbraw/zinc/20/39/15/167203915.db2.gz LGNIAGRSQCMQNR-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[N@H+]1CCC[C@@H](CO)C1 15635478 167203936 /nfs/dbraw/zinc/20/39/36/167203936.db2.gz UFFXQKBVALLYQW-MRVPVSSYSA-N 1 1 143.230 0.711 50 0 in-vitro ACAAMO CC[N@H+]1CCCC[C@@H]1CN 32445513 167204038 /nfs/dbraw/zinc/20/40/38/167204038.db2.gz LEKNBLYGRWKNSE-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CCN1CCCC[C@@H]1C[NH3+] 32445513 167204040 /nfs/dbraw/zinc/20/40/40/167204040.db2.gz LEKNBLYGRWKNSE-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CC[N@H+]1CCCC[C@H](N)C1 34615866 167204243 /nfs/dbraw/zinc/20/42/43/167204243.db2.gz DODHTIZNAOJSHI-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 ACAAMO CCN1CCCC[C@H]([NH3+])C1 34615866 167204245 /nfs/dbraw/zinc/20/42/45/167204245.db2.gz DODHTIZNAOJSHI-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 ACAAMO CCN1CCC([NH2+]CCCO)CC1 2511863 167204300 /nfs/dbraw/zinc/20/43/00/167204300.db2.gz SYPMOOPAWNBBCE-UHFFFAOYSA-N 1 1 186.299 0.443 50 0 ACAAMO CCN1CCC[C@H]1N(C)CCC[NH3+] 45796267 167205232 /nfs/dbraw/zinc/20/52/32/167205232.db2.gz NUSLQTFTUYOMOD-JTQLQIEISA-N 1 1 185.315 0.709 50 0 ACAAMO CC[N@H+]1CCC[C@@H]1CO 5194690 167205254 /nfs/dbraw/zinc/20/52/54/167205254.db2.gz GHQCZUMSSZNLJP-SSDOTTSWSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CC1 40025512 167205444 /nfs/dbraw/zinc/20/54/44/167205444.db2.gz MUJKYIZJLVMOBA-JTQLQIEISA-N 1 1 196.294 0.997 50 0 ACAAMO CC[N@H+]1CCC[C@@H](O)C1 404397 167205620 /nfs/dbraw/zinc/20/56/20/167205620.db2.gz ZNPSUOAGONLMLK-SSDOTTSWSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@H](ON)C1 95218369 167206313 /nfs/dbraw/zinc/20/63/13/167206313.db2.gz SYZPTVNMZNHKHU-ZETCQYMHSA-N 1 1 144.218 0.361 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@H]1CO 4901311 167206554 /nfs/dbraw/zinc/20/65/54/167206554.db2.gz GHQCZUMSSZNLJP-ZETCQYMHSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@@H]1CNC(N)=S 20285128 167206938 /nfs/dbraw/zinc/20/69/38/167206938.db2.gz PDKRKOVFEONVAU-SSDOTTSWSA-N 1 1 187.312 0.304 50 0 in-vitro ACAAMO CCN1CCC[C@@H]1N(C)CCC[NH3+] 45796266 167207007 /nfs/dbraw/zinc/20/70/07/167207007.db2.gz NUSLQTFTUYOMOD-SNVBAGLBSA-N 1 1 185.315 0.709 50 0 ACAAMO CC[N@H+]1CCC[C@H]1C(=O)OC 6667037 167207303 /nfs/dbraw/zinc/20/73/03/167207303.db2.gz QHWKVODROGDHIE-ZETCQYMHSA-N 1 1 157.213 0.644 50 0 ACAAMO CC[N@H+]1CCC[C@H]1CNC(N)=S 20285130 167207333 /nfs/dbraw/zinc/20/73/33/167207333.db2.gz PDKRKOVFEONVAU-ZETCQYMHSA-N 1 1 187.312 0.304 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@H]1CN 19230162 167207477 /nfs/dbraw/zinc/20/74/77/167207477.db2.gz UNRBEYYLYRXYCG-ZETCQYMHSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@@H]1C(=O)N(C)C 65575462 167207716 /nfs/dbraw/zinc/20/77/16/167207716.db2.gz IKVZGSYTHDRKOV-MRVPVSSYSA-N 1 1 170.256 0.559 50 0 ACAAMO CC[N@H+]1CCC[C@@H](ON)C1 95218371 167207726 /nfs/dbraw/zinc/20/77/26/167207726.db2.gz SYZPTVNMZNHKHU-SSDOTTSWSA-N 1 1 144.218 0.361 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@H]1CNC(N)=O 20285394 167207790 /nfs/dbraw/zinc/20/77/90/167207790.db2.gz YFKFZLXPHYBZIO-ZETCQYMHSA-N 1 1 171.244 0.139 50 0 ACAAMO CC[N@H+]1CCC[C@@H]1CN 19230160 167207828 /nfs/dbraw/zinc/20/78/28/167207828.db2.gz UNRBEYYLYRXYCG-SSDOTTSWSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@@H]1CNC(N)=O 20285391 167208389 /nfs/dbraw/zinc/20/83/89/167208389.db2.gz YFKFZLXPHYBZIO-SSDOTTSWSA-N 1 1 171.244 0.139 50 0 ACAAMO CC[N@H+]1CCC[C@H](O)C1 404399 167208444 /nfs/dbraw/zinc/20/84/44/167208444.db2.gz ZNPSUOAGONLMLK-ZETCQYMHSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO CC[NH+]1CCN(C(=O)C2CCC2)CC1 16603335 167208466 /nfs/dbraw/zinc/20/84/66/167208466.db2.gz 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167229473 /nfs/dbraw/zinc/22/94/73/167229473.db2.gz FHOZBMFXDBJVBS-RNFRBKRXSA-N 1 1 128.219 0.285 50 0 in-vitro ACAAMO CC[N@H+]1C[C@@H](N)[C@H](C)C1 74941861 167229476 /nfs/dbraw/zinc/22/94/76/167229476.db2.gz FHOZBMFXDBJVBS-RNFRBKRXSA-N 1 1 128.219 0.285 50 0 in-vitro ACAAMO CC[N@@H+]1C[C@@H](N)[C@H](C)C1 74941861 167229478 /nfs/dbraw/zinc/22/94/78/167229478.db2.gz FHOZBMFXDBJVBS-RNFRBKRXSA-N 1 1 128.219 0.285 50 0 in-vitro ACAAMO CC[N@H+]1[C@@H](C)CNC[C@H]1C 19801192 167231972 /nfs/dbraw/zinc/23/19/72/167231972.db2.gz GKHLJUSYIJMTQH-OCAPTIKFSA-N 1 1 142.246 0.689 50 0 ACAAMO CCN1[C@@H](C)C[NH2+]C[C@H]1C 19801192 167231975 /nfs/dbraw/zinc/23/19/75/167231975.db2.gz GKHLJUSYIJMTQH-OCAPTIKFSA-N 1 1 142.246 0.689 50 0 ACAAMO CCNC(=O)C[N@@H+](C)[C@H](C)C1CC1 58403739 167233574 /nfs/dbraw/zinc/23/35/74/167233574.db2.gz IDXFGCQDUAQUOD-MRVPVSSYSA-N 1 1 184.283 0.853 50 0 ACAAMO CCNC(=O)C[N@H+]1CCC[C@@H](C)C1 41362770 167233715 /nfs/dbraw/zinc/23/37/15/167233715.db2.gz 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/nfs/dbraw/zinc/26/35/82/167263582.db2.gz RVEWEVIZMBZHHR-UHFFFAOYSA-N 1 1 160.261 0.222 50 0 ACAAMO CC[NH2+]CP(=O)([O-])C[NH2+]CC 3075219 167270157 /nfs/dbraw/zinc/27/01/57/167270157.db2.gz KKEDLSRZNMTZQW-UHFFFAOYSA-N 1 1 180.188 0.391 50 0 ACAAMO CC[NH2+]C[C@@H]1CCN(C)C1 19091631 167272725 /nfs/dbraw/zinc/27/27/25/167272725.db2.gz IIZVKRZQUGSTEX-QMMMGPOBSA-N 1 1 142.246 0.548 50 0 in-vitro ACAAMO CC[NH2+]C[C@H]1CCN(C)C1 19091634 167273347 /nfs/dbraw/zinc/27/33/47/167273347.db2.gz IIZVKRZQUGSTEX-MRVPVSSYSA-N 1 1 142.246 0.548 50 0 in-vitro ACAAMO CC[NH2+]Cc1ccn[nH]1 36899936 167274139 /nfs/dbraw/zinc/27/41/39/167274139.db2.gz HXZODRZNMSFGLZ-UHFFFAOYSA-N 1 1 125.175 0.519 50 0 ACAAMO CC[NH2+]Cc1nnc(CC)o1 19089821 167276719 /nfs/dbraw/zinc/27/67/19/167276719.db2.gz QLNBHJBPDCQEQQ-UHFFFAOYSA-N 1 1 155.201 0.742 50 0 in-vitro ACAAMO CC[NH2+]Cc1nc(C)no1 21953323 167276850 /nfs/dbraw/zinc/27/68/50/167276850.db2.gz REYGCAPKUGCICS-UHFFFAOYSA-N 1 1 141.174 0.488 50 0 in-vitro ACAAMO CC[NH2+]Cc1nc(CC)no1 19089783 167278151 /nfs/dbraw/zinc/27/81/51/167278151.db2.gz MORJMPJTSJZXPM-UHFFFAOYSA-N 1 1 155.201 0.742 50 0 in-vitro ACAAMO CC[NH2+]Cc1nc(COC)no1 19090828 167278231 /nfs/dbraw/zinc/27/82/31/167278231.db2.gz DTLGTWCZDUSYMA-UHFFFAOYSA-N 1 1 171.200 0.326 50 0 ACAAMO CC[NH2+]Cc1nnc(C)o1 19737053 167279225 /nfs/dbraw/zinc/27/92/25/167279225.db2.gz DVNTVYHOUDUBKR-UHFFFAOYSA-N 1 1 141.174 0.488 50 0 in-vitro ACAAMO CCN[C@@H]1CCC[NH2+]C1 43323615 167290065 /nfs/dbraw/zinc/29/00/65/167290065.db2.gz FUTMGJAGTIOOIF-SSDOTTSWSA-N 1 1 128.219 0.348 50 0 ACAAMO CC[NH2+][C@H](C(=O)OC)C(C)C 35084852 167294866 /nfs/dbraw/zinc/29/48/66/167294866.db2.gz XATDCKLAMMLRGR-ZETCQYMHSA-N 1 1 159.229 0.794 50 0 ACAAMO CC[N@H+]1CCC[C@H](CO)C1 15635481 167209225 /nfs/dbraw/zinc/20/92/25/167209225.db2.gz UFFXQKBVALLYQW-QMMMGPOBSA-N 1 1 143.230 0.711 50 0 in-vitro ACAAMO CC[N@H+]1CCC[C@H]1CNC(=O)NC 135892761 167209533 /nfs/dbraw/zinc/20/95/33/167209533.db2.gz SXIWPRRVNKTRHH-QMMMGPOBSA-N 1 1 185.271 0.400 50 0 ACAAMO CCNc1nc(C)cc(NCC[NH3+])n1 206580878 167314913 /nfs/dbraw/zinc/31/49/13/167314913.db2.gz BCHXKULJELFSMT-UHFFFAOYSA-N 1 1 195.270 0.587 50 0 ACAAMO CCOC(=O)C1([NH3+])CC1 1647038 167323088 /nfs/dbraw/zinc/32/30/88/167323088.db2.gz FDKHZRAIKUTQLE-UHFFFAOYSA-N 1 1 129.159 0.041 50 0 in-vitro ACAAMO CCOC(=O)C12CC(C[NH2+]1)C2 39115610 167323494 /nfs/dbraw/zinc/32/34/94/167323494.db2.gz RUCDDOOHCCWORH-UHFFFAOYSA-N 1 1 155.197 0.302 50 0 ACAAMO CCOC(=O)C(=O)[C@H]1CCCC[NH2+]1 216643628 167324829 /nfs/dbraw/zinc/32/48/29/167324829.db2.gz WSYCWHCZAHPVDJ-SSDOTTSWSA-N 1 1 185.223 0.261 50 0 ACAAMO CCOC(=O)C(=O)[C@@H]1CCCC[NH2+]1 216643580 167324844 /nfs/dbraw/zinc/32/48/44/167324844.db2.gz WSYCWHCZAHPVDJ-ZETCQYMHSA-N 1 1 185.223 0.261 50 0 ACAAMO CCOC(=O)C1=CC[N@@H+](C)CC1 52606917 167326678 /nfs/dbraw/zinc/32/66/78/167326678.db2.gz GKMQAGZRPQBLHG-UHFFFAOYSA-N 1 1 169.224 0.811 50 0 ACAAMO CCOC(=O)C1=CCC[N@@H+](C)C1 31555018 167327812 /nfs/dbraw/zinc/32/78/12/167327812.db2.gz UNARQANIGOBIHM-UHFFFAOYSA-N 1 1 169.224 0.811 50 0 endogenous,in-man ACAAMO CCOC(=O)C[NH+](CC)CC 1841122 167332219 /nfs/dbraw/zinc/33/22/19/167332219.db2.gz ORRQJZMYQQDYDX-UHFFFAOYSA-N 1 1 159.229 0.891 50 0 ACAAMO CCOC(=O)C[NH2+]CC(C)C 20036975 167332231 /nfs/dbraw/zinc/33/22/31/167332231.db2.gz XJBLZCHTARFLLD-UHFFFAOYSA-N 1 1 159.229 0.795 50 0 ACAAMO CCOC(=O)C[NH+]1CCCC1 2539442 167333402 /nfs/dbraw/zinc/33/34/02/167333402.db2.gz IIIBKVMTKMLDFJ-UHFFFAOYSA-N 1 1 157.213 0.645 50 0 in-vitro ACAAMO CCOC(=O)C[N@H+](C)C(C)C 20361294 167334554 /nfs/dbraw/zinc/33/45/54/167334554.db2.gz AFJPXRUUGZHLTI-UHFFFAOYSA-N 1 1 159.229 0.890 50 0 ACAAMO CCOC(=O)C[N@@H+](C)C(C)C 20361294 167334557 /nfs/dbraw/zinc/33/45/57/167334557.db2.gz AFJPXRUUGZHLTI-UHFFFAOYSA-N 1 1 159.229 0.890 50 0 ACAAMO CCOC(=O)Cn1cc[nH+]c1C 20431258 167340105 /nfs/dbraw/zinc/34/01/05/167340105.db2.gz BELLWUHPOOKVCE-UHFFFAOYSA-N 1 1 168.196 0.755 50 0 in-vitro ACAAMO CCOC(=O)NCCn1cc[nH+]c1C 62021881 167342021 /nfs/dbraw/zinc/34/20/21/167342021.db2.gz SKEUQRXIPJNUQX-UHFFFAOYSA-N 1 1 197.238 0.938 50 0 ACAAMO CCOC(=O)[C@@H]([NH3+])Cc1ccncc1 97116497 167346757 /nfs/dbraw/zinc/34/67/57/167346757.db2.gz PGLHBDYDTHKWNM-VIFPVBQESA-N 1 1 194.234 0.515 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]([NH3+])Cc1ccccn1 59796867 167347181 /nfs/dbraw/zinc/34/71/81/167347181.db2.gz DMDWQEOYYRXMOC-VIFPVBQESA-N 1 1 194.234 0.515 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]([NH3+])CC1CC1 44339864 167347203 /nfs/dbraw/zinc/34/72/03/167347203.db2.gz MXVODSJSYKGGOE-ZETCQYMHSA-N 1 1 157.213 0.677 50 0 in-vitro ACAAMO CCOC(=O)[C@@H](CC)[NH+](C)C 34924965 167347700 /nfs/dbraw/zinc/34/77/00/167347700.db2.gz UEVIBTFAJWWRKS-SSDOTTSWSA-N 1 1 159.229 0.890 50 0 ACAAMO CCOC(=O)[C@@H]([NH3+])CSC 29786510 167347922 /nfs/dbraw/zinc/34/79/22/167347922.db2.gz SOUTVWYPVSFHNV-YFKPBYRVSA-N 1 1 163.242 0.240 50 0 ACAAMO CCOC(=O)[C@@H]([NH3+])C(C)(C)C 13351742 167348559 /nfs/dbraw/zinc/34/85/59/167348559.db2.gz DZYMZVGPERHWSO-ZCFIWIBFSA-N 1 1 159.229 0.923 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]([NH3+])CC(F)(F)F 69553757 167348932 /nfs/dbraw/zinc/34/89/32/167348932.db2.gz LWAJBKDTUWYBQM-BYPYZUCNSA-N 1 1 185.145 0.829 50 0 ACAAMO CCOC(=O)[C@@H]([NH3+])CC(C)C 1677506 167349405 /nfs/dbraw/zinc/34/94/05/167349405.db2.gz QIGLJVBIRIXQRN-ZETCQYMHSA-N 1 1 159.229 0.923 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]([NH3+])CCSC 54954611 167349524 /nfs/dbraw/zinc/34/95/24/167349524.db2.gz ARJXIGOIOGJAKR-LURJTMIESA-N 1 1 177.269 0.630 50 0 in-vitro,metabolite ACAAMO CCOC(=O)[C@@H]([NH2+]C)C(C)C 26481231 167350527 /nfs/dbraw/zinc/35/05/27/167350527.db2.gz JEMBJPGDNVXKKI-ZETCQYMHSA-N 1 1 159.229 0.794 50 0 ACAAMO CCOC(=O)[C@@H]([NH3+])[C@@H]1CCCOC1 82581616 167350951 /nfs/dbraw/zinc/35/09/51/167350951.db2.gz VARAPWDGWYVCRM-SFYZADRCSA-N 1 1 187.239 0.303 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]([NH3+])[C@H]1CCCOC1 82581618 167351881 /nfs/dbraw/zinc/35/18/81/167351881.db2.gz VARAPWDGWYVCRM-YUMQZZPRSA-N 1 1 187.239 0.303 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C)C1 155206 167352354 /nfs/dbraw/zinc/35/23/54/167352354.db2.gz VFJJNMLPRDRTCO-MRVPVSSYSA-N 1 1 171.240 0.891 50 0 biogenic,in-vitro ACAAMO CCOC(=O)[C@@H]1CC[N@@H+](C)C1 37758661 167352729 /nfs/dbraw/zinc/35/27/29/167352729.db2.gz DHWKOWPDAGMVOD-SSDOTTSWSA-N 1 1 157.213 0.501 50 0 in-vitro ACAAMO CCOC(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21 39115615 167353444 /nfs/dbraw/zinc/35/34/44/167353444.db2.gz QJFZMDWMBRUEMA-FSDSQADBSA-N 1 1 155.197 0.157 50 0 ACAAMO CCOC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 101410532 167354935 /nfs/dbraw/zinc/35/49/35/167354935.db2.gz QJFZMDWMBRUEMA-LYFYHCNISA-N 1 1 155.197 0.157 50 0 ACAAMO CCOC(=O)C1=C(O)CC[N@H+](CC)C1 16010437 167355230 /nfs/dbraw/zinc/35/52/30/167355230.db2.gz ZKACXIUSAAGGDH-MRVPVSSYSA-N 1 1 199.250 0.460 50 0 ACAAMO CCOC(=O)[C@@]1([NH3+])C[C@H]1CC 66054652 167356697 /nfs/dbraw/zinc/35/66/97/167356697.db2.gz CHAJAQRVAZTEPG-HTRCEHHLSA-N 1 1 157.213 0.677 50 0 ACAAMO CCOC(=O)[C@@]12C[C@@H]1CC[NH2+]2 39057788 167357171 /nfs/dbraw/zinc/35/71/71/167357171.db2.gz FVXMHPBISAMATP-POYBYMJQSA-N 1 1 155.197 0.302 50 0 in-vitro ACAAMO CCOC(=O)[C@H](CC)[NH+](C)C 34924964 167358112 /nfs/dbraw/zinc/35/81/12/167358112.db2.gz UEVIBTFAJWWRKS-ZETCQYMHSA-N 1 1 159.229 0.890 50 0 ACAAMO CCOC(=O)[C@H]([NH3+])Cc1ccccn1 59796866 167358603 /nfs/dbraw/zinc/35/86/03/167358603.db2.gz DMDWQEOYYRXMOC-SECBINFHSA-N 1 1 194.234 0.515 50 0 in-vitro ACAAMO CCOC(=O)[C@H]([NH3+])[C@H]1CCCOC1 82581617 167358606 /nfs/dbraw/zinc/35/86/06/167358606.db2.gz VARAPWDGWYVCRM-JGVFFNPUSA-N 1 1 187.239 0.303 50 0 in-vitro ACAAMO CCOC(=O)[C@H]([NH3+])CCSC 54954610 167358618 /nfs/dbraw/zinc/35/86/18/167358618.db2.gz ARJXIGOIOGJAKR-ZCFIWIBFSA-N 1 1 177.269 0.630 50 0 in-vitro,metabolite ACAAMO CCOC(=O)[C@H]([NH3+])[C@@H]1CCCOC1 82581615 167358762 /nfs/dbraw/zinc/35/87/62/167358762.db2.gz VARAPWDGWYVCRM-HTQZYQBOSA-N 1 1 187.239 0.303 50 0 in-vitro ACAAMO CCOC(=O)[C@H]([NH3+])Cc1ccncc1 97116496 167359029 /nfs/dbraw/zinc/35/90/29/167359029.db2.gz PGLHBDYDTHKWNM-SECBINFHSA-N 1 1 194.234 0.515 50 0 in-vitro ACAAMO CCOC(=O)[C@H]([NH3+])CSC 29786513 167359156 /nfs/dbraw/zinc/35/91/56/167359156.db2.gz SOUTVWYPVSFHNV-RXMQYKEDSA-N 1 1 163.242 0.240 50 0 ACAAMO CCOC(=O)[C@H]([NH3+])CC1CC1 44339860 167359304 /nfs/dbraw/zinc/35/93/04/167359304.db2.gz MXVODSJSYKGGOE-SSDOTTSWSA-N 1 1 157.213 0.677 50 0 in-vitro ACAAMO CCOC(=O)[C@H]([NH3+])CC(C)C 2556616 167359330 /nfs/dbraw/zinc/35/93/30/167359330.db2.gz QIGLJVBIRIXQRN-SSDOTTSWSA-N 1 1 159.229 0.923 50 0 in-vitro ACAAMO CCOC(=O)[C@H]([NH3+])CC(F)(F)F 69553754 167359827 /nfs/dbraw/zinc/35/98/27/167359827.db2.gz LWAJBKDTUWYBQM-SCSAIBSYSA-N 1 1 185.145 0.829 50 0 ACAAMO CCOC(=O)[C@H]([NH2+]C)C(C)C 26481239 167361185 /nfs/dbraw/zinc/36/11/85/167361185.db2.gz JEMBJPGDNVXKKI-SSDOTTSWSA-N 1 1 159.229 0.794 50 0 ACAAMO CCOC(=O)[C@H]1CC[N@@H+](C)C1 37758662 167362130 /nfs/dbraw/zinc/36/21/30/167362130.db2.gz DHWKOWPDAGMVOD-ZETCQYMHSA-N 1 1 157.213 0.501 50 0 in-vitro ACAAMO CCOC(=O)[C@H]1CCC[N@@H+](C)C1 155204 167362293 /nfs/dbraw/zinc/36/22/93/167362293.db2.gz VFJJNMLPRDRTCO-QMMMGPOBSA-N 1 1 171.240 0.891 50 0 in-vitro ACAAMO CCOC(=O)C1=C(O)CC[N@H+](CC)C1 3603501 167363005 /nfs/dbraw/zinc/36/30/05/167363005.db2.gz ZKACXIUSAAGGDH-QMMMGPOBSA-N 1 1 199.250 0.460 50 0 ACAAMO CCOC(=O)C1=C(O)CC[N@@H+](CC)C1 3603501 167363007 /nfs/dbraw/zinc/36/30/07/167363007.db2.gz ZKACXIUSAAGGDH-QMMMGPOBSA-N 1 1 199.250 0.460 50 0 ACAAMO CCOC(=O)[C@H]1[NH2+]C[C@@H]2C[C@H]12 101410535 167363632 /nfs/dbraw/zinc/36/36/32/167363632.db2.gz QJFZMDWMBRUEMA-ACZMJKKPSA-N 1 1 155.197 0.157 50 0 ACAAMO CCOC(=O)[C@H]1[NH2+]C[C@H]2C[C@H]21 39115616 167364362 /nfs/dbraw/zinc/36/43/62/167364362.db2.gz QJFZMDWMBRUEMA-QYNIQEEDSA-N 1 1 155.197 0.157 50 0 ACAAMO CCOC(=O)[C@]12C[C@H]1CC[NH2+]2 39057789 167365934 /nfs/dbraw/zinc/36/59/34/167365934.db2.gz FVXMHPBISAMATP-SVRRBLITSA-N 1 1 155.197 0.302 50 0 in-vitro ACAAMO CCOC(=O)c1cn2c(n1)C[NH2+]CC2 12370495 167371701 /nfs/dbraw/zinc/37/17/01/167371701.db2.gz YTYJZXFCWYHVPG-UHFFFAOYSA-N 1 1 195.222 0.163 50 0 in-vitro ACAAMO CCOC(=O)c1csc(C[NH3+])n1 36138960 167373336 /nfs/dbraw/zinc/37/33/36/167373336.db2.gz QMHYMKXHCPPBIN-UHFFFAOYSA-N 1 1 186.236 0.779 50 0 in-vitro ACAAMO CCOC(=O)c1c[nH+]ccc1N 14982147 167373743 /nfs/dbraw/zinc/37/37/43/167373743.db2.gz YTLWFCDPORJXPP-UHFFFAOYSA-N 1 1 166.180 0.841 50 0 in-vitro ACAAMO CCOC(=O)c1ncn2c1C[NH2+]CC2 89195624 167377316 /nfs/dbraw/zinc/37/73/16/167377316.db2.gz SUXINFAJYGBEMN-UHFFFAOYSA-N 1 1 195.222 0.163 50 0 in-vitro ACAAMO CCOC(=O)c1noc2c1C[NH2+]CC2 40448592 167378067 /nfs/dbraw/zinc/37/80/67/167378067.db2.gz MGCMWQNFPSHNIO-UHFFFAOYSA-N 1 1 196.206 0.497 50 0 in-vitro ACAAMO CCOCC[N@@H+](C)Cc1cnn(C)c1 58169212 167388067 /nfs/dbraw/zinc/38/80/67/167388067.db2.gz MJVGQQJOCIKBPB-UHFFFAOYSA-N 1 1 197.282 0.888 50 0 ACAAMO CCOCC[N@@H+]1CCNC[C@H]1CC 68587355 167389041 /nfs/dbraw/zinc/38/90/41/167389041.db2.gz BJVVBTNILPCHMW-SNVBAGLBSA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCOCC[N@H+]1CCNC[C@H]1CC 68587355 167389043 /nfs/dbraw/zinc/38/90/43/167389043.db2.gz BJVVBTNILPCHMW-SNVBAGLBSA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCOCCNC1CC[NH2+]CC1 38040875 167389477 /nfs/dbraw/zinc/38/94/77/167389477.db2.gz OHBZEENSAQWNQN-UHFFFAOYSA-N 1 1 172.272 0.365 50 0 ACAAMO CCOCC[N@@H+]1CCNC[C@@H]1CC 68587362 167390110 /nfs/dbraw/zinc/39/01/10/167390110.db2.gz BJVVBTNILPCHMW-JTQLQIEISA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCOCC[N@H+]1CCNC[C@@H]1CC 68587362 167390112 /nfs/dbraw/zinc/39/01/12/167390112.db2.gz BJVVBTNILPCHMW-JTQLQIEISA-N 1 1 186.299 0.707 50 0 in-vitro ACAAMO CCOCc1nnc([C@H](C)[NH3+])o1 50284307 167398939 /nfs/dbraw/zinc/39/89/39/167398939.db2.gz YAMJMZWYQYAPHJ-YFKPBYRVSA-N 1 1 171.200 0.626 50 0 ACAAMO CCOCc1nnc([C@@H](C)[NH3+])o1 50284306 167399605 /nfs/dbraw/zinc/39/96/05/167399605.db2.gz YAMJMZWYQYAPHJ-RXMQYKEDSA-N 1 1 171.200 0.626 50 0 ACAAMO CCOCc1nc(C[NH3+])no1 16944104 167399828 /nfs/dbraw/zinc/39/98/28/167399828.db2.gz YSVJLKLKMAANPZ-UHFFFAOYSA-N 1 1 157.173 0.065 50 0 ACAAMO CC[C@@H]1C[C@]1([NH3+])C(=O)OC 39083124 167567201 /nfs/dbraw/zinc/56/72/01/167567201.db2.gz OGJFOUDGUGGQPA-IYSWYEEDSA-N 1 1 143.186 0.287 50 0 ACAAMO CC[C@H]1CN(CC)C(=O)C[NH2+]1 35270118 167691543 /nfs/dbraw/zinc/69/15/43/167691543.db2.gz IYZRHXDFJURKOL-ZETCQYMHSA-N 1 1 156.229 0.217 50 0 ACAAMO C[NH+](C)CC(=O)Nc1ccccc1N 8703580 167833699 /nfs/dbraw/zinc/83/36/99/167833699.db2.gz UPOPLDABWIZNDH-UHFFFAOYSA-N 1 1 193.250 0.769 50 0 in-vitro ACAAMO CN(C)c1ccc(N)[nH+]c1 19868559 167856848 /nfs/dbraw/zinc/85/68/48/167856848.db2.gz OLYQLAFJZQNFCK-UHFFFAOYSA-N 1 1 137.186 0.730 50 0 in-vitro ACAAMO CN(C)c1cc[nH+]c(N)n1 39053775 167858490 /nfs/dbraw/zinc/85/84/90/167858490.db2.gz MYDKGRAWYIGOGE-UHFFFAOYSA-N 1 1 138.174 0.125 50 0 ACAAMO CN1C(=O)[C@@H]([NH3+])c2ccccc21 100023788 167898054 /nfs/dbraw/zinc/89/80/54/167898054.db2.gz NZWLKZYQAQNZJK-QMMMGPOBSA-N 1 1 162.192 0.663 50 0 in-vitro ACAAMO CN1CCC[N@@H+](C)CC1 19366331 167904549 /nfs/dbraw/zinc/90/45/49/167904549.db2.gz YQWYNMOCRRYVCE-UHFFFAOYSA-N 1 1 128.219 0.254 50 0 ACAAMO C[N@H+]1CCC[C@@H]1CO 391249 167906325 /nfs/dbraw/zinc/90/63/25/167906325.db2.gz VCOJPHPOVDIRJK-ZCFIWIBFSA-N 1 1 115.176 0.073 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@H]1CCO 388246 167907899 /nfs/dbraw/zinc/90/78/99/167907899.db2.gz FYVMBPXFPFAECB-ZETCQYMHSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO C[NH+]1CCN(C(=O)C2CCCC2)CC1 23379349 167911861 /nfs/dbraw/zinc/91/18/61/167911861.db2.gz DNMXYVUTMIMIMJ-UHFFFAOYSA-N 1 1 196.294 0.951 50 0 ACAAMO C[N@H+]1CCC[C@H]1CO 391247 167912400 /nfs/dbraw/zinc/91/24/00/167912400.db2.gz VCOJPHPOVDIRJK-LURJTMIESA-N 1 1 115.176 0.073 50 0 in-vitro ACAAMO CN1CCN([C@H]2CCCC[NH2+]C2)CC1 19947693 167915399 /nfs/dbraw/zinc/91/53/99/167915399.db2.gz JYVKOVOCKMCNCB-NSHDSACASA-N 1 1 197.326 0.376 50 0 in-vitro ACAAMO C[N@H+]1CC[C@@H](O)C1(C)C 82411127 167924616 /nfs/dbraw/zinc/92/46/16/167924616.db2.gz ZPGSNALNPFRXCK-ZCFIWIBFSA-N 1 1 129.203 0.461 50 0 ACAAMO CN1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 54956843 167943952 /nfs/dbraw/zinc/94/39/52/167943952.db2.gz MABDHNXQYBSZCB-AOOOYVTPSA-N 1 1 168.284 0.938 50 0 biogenic,in-vitro ACAAMO C[NH2+]C[C@@H](O)CN1CCC(C)CC1 1295996 168005430 /nfs/dbraw/zinc/00/54/30/168005430.db2.gz NCVNCVPNGDRJKL-SNVBAGLBSA-N 1 1 186.299 0.299 50 0 ACAAMO C[NH2+]C[C@@H](N)C(C)C 40409051 168005734 /nfs/dbraw/zinc/00/57/34/168005734.db2.gz LMBYDKQMLXSAQC-ZCFIWIBFSA-N 1 1 116.208 0.189 50 0 in-vitro ACAAMO C[NH2+]C[C@@H](N)CC(C)C 40409043 168005882 /nfs/dbraw/zinc/00/58/82/168005882.db2.gz RUXHHYJZWCQYGH-ZETCQYMHSA-N 1 1 130.235 0.579 50 0 in-vitro ACAAMO C[NH2+]C[C@@H]1CCCN(CCOC)C1 19088914 168006552 /nfs/dbraw/zinc/00/65/52/168006552.db2.gz PJCPPFOHZHGUJK-JTQLQIEISA-N 1 1 186.299 0.564 50 0 in-vitro ACAAMO CNC[C@@H]1CCCC[NH2+]1 39167992 168006723 /nfs/dbraw/zinc/00/67/23/168006723.db2.gz MGOVUZGBXAFMCY-ZETCQYMHSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO C[NH2+]C[C@@H]1CCCN(C)C1 2559684 168007105 /nfs/dbraw/zinc/00/71/05/168007105.db2.gz OUBNEVZXIXKNJE-QMMMGPOBSA-N 1 1 142.246 0.548 50 0 in-vitro ACAAMO C[NH2+]C[C@@H]1CCN(CCOC)C1 11891866 168007681 /nfs/dbraw/zinc/00/76/81/168007681.db2.gz NSEJMPYQHVGIAC-VIFPVBQESA-N 1 1 172.272 0.174 50 0 in-vitro ACAAMO C[NH2+]C[C@@]1(C)CCN(C)C1 19088218 168009176 /nfs/dbraw/zinc/00/91/76/168009176.db2.gz VOBHWILMARPNBN-MRVPVSSYSA-N 1 1 142.246 0.548 50 0 in-vitro ACAAMO C[NH2+]C[C@H](O)CN1CCC(C)CC1 1295998 168010545 /nfs/dbraw/zinc/01/05/45/168010545.db2.gz NCVNCVPNGDRJKL-JTQLQIEISA-N 1 1 186.299 0.299 50 0 ACAAMO C[NH2+]C[C@H](N)C(C)C 40409055 168010563 /nfs/dbraw/zinc/01/05/63/168010563.db2.gz LMBYDKQMLXSAQC-LURJTMIESA-N 1 1 116.208 0.189 50 0 in-vitro ACAAMO C[NH2+]C[C@H](N)CC(C)C 40409047 168011387 /nfs/dbraw/zinc/01/13/87/168011387.db2.gz RUXHHYJZWCQYGH-SSDOTTSWSA-N 1 1 130.235 0.579 50 0 in-vitro ACAAMO C[NH2+]C[C@H]1CCCN(C)C1 12370781 168012064 /nfs/dbraw/zinc/01/20/64/168012064.db2.gz OUBNEVZXIXKNJE-MRVPVSSYSA-N 1 1 142.246 0.548 50 0 in-vitro ACAAMO C[NH2+]C[C@H]1CCCN(CCOC)C1 19088917 168012115 /nfs/dbraw/zinc/01/21/15/168012115.db2.gz PJCPPFOHZHGUJK-SNVBAGLBSA-N 1 1 186.299 0.564 50 0 in-vitro ACAAMO CNC[C@H]1CCCC[NH2+]1 39205436 168013264 /nfs/dbraw/zinc/01/32/64/168013264.db2.gz MGOVUZGBXAFMCY-SSDOTTSWSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO C[NH2+]C[C@]1(C)CCN(C)C1 19088220 168013876 /nfs/dbraw/zinc/01/38/76/168013876.db2.gz VOBHWILMARPNBN-QMMMGPOBSA-N 1 1 142.246 0.548 50 0 in-vitro ACAAMO C[NH2+]C[C@H]1CCN(CCOC)C1 11891870 168014628 /nfs/dbraw/zinc/01/46/28/168014628.db2.gz NSEJMPYQHVGIAC-SECBINFHSA-N 1 1 172.272 0.174 50 0 in-vitro ACAAMO C[NH2+]Cc1c[nH]cn1 54762812 168015373 /nfs/dbraw/zinc/01/53/73/168015373.db2.gz VYAFJWHVHCBQBJ-UHFFFAOYSA-N 1 1 111.148 0.129 50 0 ACAAMO C[NH2+]Cc1c[nH]c(C)n1 54797652 168015947 /nfs/dbraw/zinc/01/59/47/168015947.db2.gz FHIOHBFRXRJQHY-UHFFFAOYSA-N 1 1 125.175 0.438 50 0 ACAAMO C[NH2+]Cc1cn[nH]c1C 20357700 168020031 /nfs/dbraw/zinc/02/00/31/168020031.db2.gz TYHVEYPFKAWYRG-UHFFFAOYSA-N 1 1 125.175 0.438 50 0 ACAAMO C[NH2+]Cc1ccn[nH]1 12394703 168020053 /nfs/dbraw/zinc/02/00/53/168020053.db2.gz FAFFFBUYETUJAQ-UHFFFAOYSA-N 1 1 111.148 0.129 50 0 in-vitro ACAAMO C[NH2+]Cc1nc(C(C)C)no1 19089536 168022139 /nfs/dbraw/zinc/02/21/39/168022139.db2.gz FGZOBIVRWFUHKE-UHFFFAOYSA-N 1 1 155.201 0.912 50 0 ACAAMO C[NH2+]Cc1nc([C@H](C)OC)no1 72266612 168022153 /nfs/dbraw/zinc/02/21/53/168022153.db2.gz RWVLOKYUUAAUOH-YFKPBYRVSA-N 1 1 171.200 0.496 50 0 in-vitro ACAAMO C[NH2+]Cc1nc(CC(C)C)no1 19089539 168022609 /nfs/dbraw/zinc/02/26/09/168022609.db2.gz GCVYRKZJCRULMA-UHFFFAOYSA-N 1 1 169.228 0.988 50 0 ACAAMO C[NH2+]Cc1ncco1 20417881 168022690 /nfs/dbraw/zinc/02/26/90/168022690.db2.gz YETKREVFIJUZAV-UHFFFAOYSA-N 1 1 112.132 0.394 50 0 in-vitro ACAAMO C[NH2+]Cc1nc(C2CC2)no1 20015254 168023287 /nfs/dbraw/zinc/02/32/87/168023287.db2.gz UXYMIZJTYJBFGD-UHFFFAOYSA-N 1 1 153.185 0.666 50 0 in-vitro ACAAMO C[NH2+]Cc1nc(C)no1 21807950 168023339 /nfs/dbraw/zinc/02/33/39/168023339.db2.gz DXORLLLAUZFWFF-UHFFFAOYSA-N 1 1 127.147 0.097 50 0 in-vitro ACAAMO C[NH2+]Cc1nc([C@@H](C)OC)no1 72266613 168023342 /nfs/dbraw/zinc/02/33/42/168023342.db2.gz RWVLOKYUUAAUOH-RXMQYKEDSA-N 1 1 171.200 0.496 50 0 in-vitro ACAAMO C[NH2+]Cc1nc(C(F)(F)F)no1 66324313 168023546 /nfs/dbraw/zinc/02/35/46/168023546.db2.gz ZQTUIJDDWMATEM-UHFFFAOYSA-N 1 1 181.117 0.808 50 0 in-vitro ACAAMO C[NH2+]Cc1nn(C)cc1Cl 72206328 168025536 /nfs/dbraw/zinc/02/55/36/168025536.db2.gz LSZQICIPIOEINE-UHFFFAOYSA-N 1 1 159.620 0.793 50 0 ACAAMO C[NH2+]Cc1nnc(C)o1 19093448 168025803 /nfs/dbraw/zinc/02/58/03/168025803.db2.gz UBJBBIDQROEAMU-UHFFFAOYSA-N 1 1 127.147 0.097 50 0 in-vitro ACAAMO C[NH2+]Cc1nnc(CC(C)C)o1 50615420 168025932 /nfs/dbraw/zinc/02/59/32/168025932.db2.gz MOGVUPGWZQUXBA-UHFFFAOYSA-N 1 1 169.228 0.988 50 0 ACAAMO C[NH2+]Cc1nnc(C2CC2)o1 49582258 168026892 /nfs/dbraw/zinc/02/68/92/168026892.db2.gz OROVAPUMNLCBIA-UHFFFAOYSA-N 1 1 153.185 0.666 50 0 ACAAMO C[NH2+][C@@H](C(=O)OC)C(C)C 59167843 168030071 /nfs/dbraw/zinc/03/00/71/168030071.db2.gz OYBIEHUKFOTBGD-ZCFIWIBFSA-N 1 1 145.202 0.403 50 0 ACAAMO C[NH2+][C@@H](C)c1nc(C)no1 42384104 168033775 /nfs/dbraw/zinc/03/37/75/168033775.db2.gz LZOUKPQZKZNAIN-BYPYZUCNSA-N 1 1 141.174 0.658 50 0 in-vitro ACAAMO CN[C@@H](C[NH3+])c1ccccc1 19366341 168036815 /nfs/dbraw/zinc/03/68/15/168036815.db2.gz PSWHCXOXDHWTEE-VIFPVBQESA-N 1 1 150.225 0.906 50 0 ACAAMO C[NH2+][C@@H]1CCN(C)C[C@@H]1C 101428950 168040451 /nfs/dbraw/zinc/04/04/51/168040451.db2.gz RKKFHLLWOCTYCM-JGVFFNPUSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CN[C@@H]1CCCC[NH2+]C1 39982826 168041382 /nfs/dbraw/zinc/04/13/82/168041382.db2.gz OROOBNKHDZYDFL-SSDOTTSWSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO C[NH2+][C@@H]1CCCCNC1 39982826 168041383 /nfs/dbraw/zinc/04/13/83/168041383.db2.gz OROOBNKHDZYDFL-SSDOTTSWSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO C[NH2+][C@@H]1CCN(C)C[C@H]1C 238855297 168041504 /nfs/dbraw/zinc/04/15/04/168041504.db2.gz RKKFHLLWOCTYCM-HTQZYQBOSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 49694175 168041905 /nfs/dbraw/zinc/04/19/05/168041905.db2.gz AHEMOUYHIVTHGC-JGVFFNPUSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO C[NH2+][C@@H]1CCN(C)[C@H](C)C1 49694174 168041945 /nfs/dbraw/zinc/04/19/45/168041945.db2.gz AHEMOUYHIVTHGC-HTQZYQBOSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 35687813 168044017 /nfs/dbraw/zinc/04/40/17/168044017.db2.gz MOIJSRIXTSAOOT-MRVPVSSYSA-N 1 1 197.259 0.734 50 0 in-vitro ACAAMO C[NH2+][C@H](C(=O)OC)C(C)C 59167842 168046811 /nfs/dbraw/zinc/04/68/11/168046811.db2.gz OYBIEHUKFOTBGD-LURJTMIESA-N 1 1 145.202 0.403 50 0 in-vitro ACAAMO C[NH2+][C@H](C)c1nc(C)no1 42384100 168052910 /nfs/dbraw/zinc/05/29/10/168052910.db2.gz LZOUKPQZKZNAIN-SCSAIBSYSA-N 1 1 141.174 0.658 50 0 in-vitro ACAAMO CN[C@H](C[NH3+])c1ccccc1 19369316 168054703 /nfs/dbraw/zinc/05/47/03/168054703.db2.gz PSWHCXOXDHWTEE-SECBINFHSA-N 1 1 150.225 0.906 50 0 ACAAMO CN[C@H]1CCCC[NH2+]C1 39982827 168055480 /nfs/dbraw/zinc/05/54/80/168055480.db2.gz OROOBNKHDZYDFL-ZETCQYMHSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO C[NH2+][C@H]1CCCCNC1 39982827 168055482 /nfs/dbraw/zinc/05/54/82/168055482.db2.gz OROOBNKHDZYDFL-ZETCQYMHSA-N 1 1 128.219 0.348 50 0 in-vitro ACAAMO CN[C@H]1CCCC[C@@H]1[NH2+]C 38541413 168055801 /nfs/dbraw/zinc/05/58/01/168055801.db2.gz JRHPOFJADXHYBR-YUMQZZPRSA-N 1 1 142.246 0.736 50 0 in-vitro ACAAMO C[NH2+][C@H]1CCN(C)[C@@H](C)C1 49694177 168057117 /nfs/dbraw/zinc/05/71/17/168057117.db2.gz AHEMOUYHIVTHGC-YUMQZZPRSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO C[NH2+][C@H]1CCN(C)C[C@H]1C 39079041 168057585 /nfs/dbraw/zinc/05/75/85/168057585.db2.gz RKKFHLLWOCTYCM-SFYZADRCSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO C[NH2+][C@H]1CCN(C)[C@H](C)C1 49694176 168057606 /nfs/dbraw/zinc/05/76/06/168057606.db2.gz AHEMOUYHIVTHGC-SFYZADRCSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO CN[C@@H]1CCCC[C@@H]1[NH2+]C 25695618 168058385 /nfs/dbraw/zinc/05/83/85/168058385.db2.gz JRHPOFJADXHYBR-OCAPTIKFSA-N 1 1 142.246 0.736 50 0 in-vitro ACAAMO CN[C@H]1CCCC[C@H]1[NH2+]C 25695618 168058387 /nfs/dbraw/zinc/05/83/87/168058387.db2.gz JRHPOFJADXHYBR-OCAPTIKFSA-N 1 1 142.246 0.736 50 0 in-vitro ACAAMO C[NH2+][C@H]1CCN(C)C[C@@H]1C 39079043 168058394 /nfs/dbraw/zinc/05/83/94/168058394.db2.gz RKKFHLLWOCTYCM-YUMQZZPRSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 35687814 168058929 /nfs/dbraw/zinc/05/89/29/168058929.db2.gz MOIJSRIXTSAOOT-QMMMGPOBSA-N 1 1 197.259 0.734 50 0 in-vitro ACAAMO CNc1cc(N)[nH+]cn1 1691171 168064744 /nfs/dbraw/zinc/06/47/44/168064744.db2.gz OWHSQUDSJWIYDC-UHFFFAOYSA-N 1 1 124.147 0.101 50 0 in-vitro ACAAMO CNc1cc(N)nc[nH+]1 1691171 168064745 /nfs/dbraw/zinc/06/47/45/168064745.db2.gz OWHSQUDSJWIYDC-UHFFFAOYSA-N 1 1 124.147 0.101 50 0 in-vitro ACAAMO CNc1cc(NC)[nH+]cn1 25491177 168065228 /nfs/dbraw/zinc/06/52/28/168065228.db2.gz UPBCZSPIKHWKRX-UHFFFAOYSA-N 1 1 138.174 0.560 50 0 ACAAMO CNc1ccc[nH+]c1N 38549194 168068467 /nfs/dbraw/zinc/06/84/67/168068467.db2.gz TZRRONMICPMDGT-UHFFFAOYSA-N 1 1 123.159 0.706 50 0 in-vitro ACAAMO CNc1[nH+]cccc1N 19770005 168072554 /nfs/dbraw/zinc/07/25/54/168072554.db2.gz COANMWJRJDRXNS-UHFFFAOYSA-N 1 1 123.159 0.706 50 0 ACAAMO CNc1nc(N)cc[nH+]1 331866 168072765 /nfs/dbraw/zinc/07/27/65/168072765.db2.gz FZRFGFQUXQUVAS-UHFFFAOYSA-N 1 1 124.147 0.101 50 0 in-vitro ACAAMO CNc1[nH+]cnc2[nH]ccc12 21015093 168073112 /nfs/dbraw/zinc/07/31/12/168073112.db2.gz AXWBJJJQRJBTMI-UHFFFAOYSA-N 1 1 148.169 1.000 50 0 ACAAMO COC(=O)C1=CC[N@@H+](C)CC1 24737696 168081450 /nfs/dbraw/zinc/08/14/50/168081450.db2.gz SVXZBICQLNEMLC-UHFFFAOYSA-N 1 1 155.197 0.421 50 0 in-vitro ACAAMO COC(=O)C1=CCC[N@@H+](C)C1 52541469 168081586 /nfs/dbraw/zinc/08/15/86/168081586.db2.gz HJJPJSXJAXAIPN-UHFFFAOYSA-N 1 1 155.197 0.421 50 0 endogenous,in-man ACAAMO COC(=O)C1([NH3+])[C@H](C)[C@H]1C 39083138 168081618 /nfs/dbraw/zinc/08/16/18/168081618.db2.gz AUGITUAZHQHARF-RFZPGFLSSA-N 1 1 143.186 0.143 50 0 ACAAMO COC(=O)C1([NH3+])Cc2ccccc2C1 2599278 168081874 /nfs/dbraw/zinc/08/18/74/168081874.db2.gz UVMXRCKHFMQNJZ-UHFFFAOYSA-N 1 1 191.230 0.656 50 0 biogenic,in-vitro ACAAMO COC(=O)C1=CC[C@@H]2CC[C@H]1[N@H+]2C 53223985 168083463 /nfs/dbraw/zinc/08/34/63/168083463.db2.gz MPSNEAHFGOEKBI-VXNVDRBHSA-N 1 1 181.235 0.952 50 0 in-vitro ACAAMO COC(=O)CC[NH2+]CCCN(C)C 2565647 168087584 /nfs/dbraw/zinc/08/75/84/168087584.db2.gz WQKFFWPHFBTKLF-UHFFFAOYSA-N 1 1 188.271 0.091 50 0 ACAAMO COC(=O)C[N@H+](C)[C@H]1CCSC1 37175334 168089673 /nfs/dbraw/zinc/08/96/73/168089673.db2.gz IYNRJSWZESYWNA-ZETCQYMHSA-N 1 1 189.280 0.597 50 0 in-vitro ACAAMO COC(=O)C[N@@H+](C)[C@H]1CCSC1 37175334 168089675 /nfs/dbraw/zinc/08/96/75/168089675.db2.gz IYNRJSWZESYWNA-ZETCQYMHSA-N 1 1 189.280 0.597 50 0 in-vitro ACAAMO COC(=O)C[N@H+](C)[C@@H]1CCSC1 37175333 168089839 /nfs/dbraw/zinc/08/98/39/168089839.db2.gz IYNRJSWZESYWNA-SSDOTTSWSA-N 1 1 189.280 0.597 50 0 in-vitro ACAAMO COC(=O)C[N@@H+](C)[C@@H]1CCSC1 37175333 168089840 /nfs/dbraw/zinc/08/98/40/168089840.db2.gz IYNRJSWZESYWNA-SSDOTTSWSA-N 1 1 189.280 0.597 50 0 in-vitro ACAAMO COC(=O)CCn1cc[nH+]c1C 2707786 168089865 /nfs/dbraw/zinc/08/98/65/168089865.db2.gz JMVWOVMCISTHCU-UHFFFAOYSA-N 1 1 168.196 0.755 50 0 ACAAMO COC(=O)C[NH+]1CCCC1 2015772 168090537 /nfs/dbraw/zinc/09/05/37/168090537.db2.gz BMWOSLXYXGTLAR-UHFFFAOYSA-N 1 1 143.186 0.255 50 0 in-vitro ACAAMO COC(=O)C[NH+]1CCC(C)CC1 14193624 168091419 /nfs/dbraw/zinc/09/14/19/168091419.db2.gz FHGBJZGJGNTNDT-UHFFFAOYSA-N 1 1 171.240 0.891 50 0 ACAAMO COC(=O)C[NH2+]C1CCCC1 19885218 168092243 /nfs/dbraw/zinc/09/22/43/168092243.db2.gz VZKNHSCVKNDVHG-UHFFFAOYSA-N 1 1 157.213 0.692 50 0 in-vitro ACAAMO COC(=O)C[NH2+]CC(C)C 19885283 168092274 /nfs/dbraw/zinc/09/22/74/168092274.db2.gz PHSQMNIJNHEJNJ-UHFFFAOYSA-N 1 1 145.202 0.405 50 0 ACAAMO COC(=O)[C@@H](C)C[NH+]1CCOCC1 19864782 168105755 /nfs/dbraw/zinc/10/57/55/168105755.db2.gz KGDDIHUWJWGQDG-QMMMGPOBSA-N 1 1 187.239 0.128 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccccc1F 57490200 168106993 /nfs/dbraw/zinc/10/69/93/168106993.db2.gz LLMPNHTUKJJNQB-VIFPVBQESA-N 1 1 197.209 0.869 50 0 ACAAMO COC(=O)[C@@H]([NH3+])Cc1cccs1 34198556 168107024 /nfs/dbraw/zinc/10/70/24/168107024.db2.gz PNFKFTGEDLBMPB-ZETCQYMHSA-N 1 1 185.248 0.791 50 0 ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccncc1 34435731 168107128 /nfs/dbraw/zinc/10/71/28/168107128.db2.gz MFDSUVIUGDAHLU-QMMMGPOBSA-N 1 1 180.207 0.124 50 0 ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1 31969754 168107203 /nfs/dbraw/zinc/10/72/03/168107203.db2.gz NCSHKOSBEYDZFY-VIFPVBQESA-N 1 1 197.209 0.869 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])CCSC(C)=O 238852409 168107259 /nfs/dbraw/zinc/10/72/59/168107259.db2.gz FVPIRUCFYDKQOX-LURJTMIESA-N 1 1 191.252 0.157 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])CCSC 34781239 168107273 /nfs/dbraw/zinc/10/72/73/168107273.db2.gz UIHPNZDZCOEZEN-YFKPBYRVSA-N 1 1 163.242 0.240 50 0 biogenic,in-vitro ACAAMO COC(=O)[C@@H]([NH3+])C(C)(C)C 52521504 168107351 /nfs/dbraw/zinc/10/73/51/168107351.db2.gz WCYLIGGIKNKWQX-RXMQYKEDSA-N 1 1 145.202 0.533 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccsc1 44326958 168107407 /nfs/dbraw/zinc/10/74/07/168107407.db2.gz LOQJOEVPJCMGKJ-ZETCQYMHSA-N 1 1 185.248 0.791 50 0 ACAAMO COC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 22067417 168107477 /nfs/dbraw/zinc/10/74/77/168107477.db2.gz VYYPEVTYONMYNH-VIFPVBQESA-N 1 1 195.218 0.435 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccccc1 19419113 168107582 /nfs/dbraw/zinc/10/75/82/168107582.db2.gz VSDUZFOSJDMAFZ-VIFPVBQESA-N 1 1 179.219 0.729 50 0 biogenic,in-vivo ACAAMO COC(=O)[C@@H]([NH3+])CCC(C)C 39058090 168107821 /nfs/dbraw/zinc/10/78/21/168107821.db2.gz ZCUUVQGLXPIZRL-ZETCQYMHSA-N 1 1 159.229 0.923 50 0 ACAAMO COC(=O)[C@@H]([NH3+])CC(C)C 54954737 168107845 /nfs/dbraw/zinc/10/78/45/168107845.db2.gz QVDXUKJJGUSGLS-LURJTMIESA-N 1 1 145.202 0.533 50 0 biogenic,in-vitro ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccc(C)cn1 88135250 168107975 /nfs/dbraw/zinc/10/79/75/168107975.db2.gz WXSPAISODCMPEE-VIFPVBQESA-N 1 1 194.234 0.433 50 0 ACAAMO COC(=O)[C@@H]([NH3+])CC1CCC1 83839152 168108032 /nfs/dbraw/zinc/10/80/32/168108032.db2.gz OSNABBUZQXAKSC-ZETCQYMHSA-N 1 1 157.213 0.677 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])CC1CC1 69553575 168108060 /nfs/dbraw/zinc/10/80/60/168108060.db2.gz FNMJQKSDSQUBJY-LURJTMIESA-N 1 1 143.186 0.287 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccccn1 60255552 168108097 /nfs/dbraw/zinc/10/80/97/168108097.db2.gz YPUMFYLWBZTWHR-QMMMGPOBSA-N 1 1 180.207 0.124 50 0 ACAAMO COC(=O)[C@@H]([NH3+])CC1CCOCC1 69947534 168108304 /nfs/dbraw/zinc/10/83/04/168108304.db2.gz BQHLKQZNJCKPOM-QMMMGPOBSA-N 1 1 187.239 0.303 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])CC(F)(F)F 16159317 168108371 /nfs/dbraw/zinc/10/83/71/168108371.db2.gz WZKQAIWCKKIFHK-VKHMYHEASA-N 1 1 171.118 0.439 50 0 in-vitro ACAAMO COC(=O)[C@@H]([NH3+])Cc1cccc(F)c1 69553360 168108414 /nfs/dbraw/zinc/10/84/14/168108414.db2.gz BZIPAMJMCZCLFS-VIFPVBQESA-N 1 1 197.209 0.869 50 0 ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 19735707 168108618 /nfs/dbraw/zinc/10/86/18/168108618.db2.gz MWZPENIJLUWBSY-VIFPVBQESA-N 1 1 195.218 0.435 50 0 in-man ACAAMO COC(=O)[C@@H]([NH3+])Cc1ccoc1 44327093 168108665 /nfs/dbraw/zinc/10/86/65/168108665.db2.gz CMACEADSSAVSRW-ZETCQYMHSA-N 1 1 169.180 0.322 50 0 ACAAMO COC(=O)[C@@H]([NH3+])CC(C)(C)C 34540160 168108676 /nfs/dbraw/zinc/10/86/76/168108676.db2.gz AHLUWXPHJXOHIQ-LURJTMIESA-N 1 1 159.229 0.923 50 0 ACAAMO COC(=O)[C@@H]([NH3+])CC(F)F 39057620 168108699 /nfs/dbraw/zinc/10/86/99/168108699.db2.gz XPDDUHZHOWSLCC-VKHMYHEASA-N 1 1 153.128 0.142 50 0 in-vitro ACAAMO COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1[N@@H+]2C 75629465 168109297 /nfs/dbraw/zinc/10/92/97/168109297.db2.gz WXEMSGQRTGSYOG-FJXKBIBVSA-N 1 1 197.234 0.211 50 0 ACAAMO COC(=O)[C@@H]1CC2CC[NH+]1CC2 33947505 168109523 /nfs/dbraw/zinc/10/95/23/168109523.db2.gz FAQLMHAFLWKSHD-QMMMGPOBSA-N 1 1 169.224 0.644 50 0 ACAAMO COC(=O)[C@@H]1CCCCC[NH2+]1 84582125 168110739 /nfs/dbraw/zinc/11/07/39/168110739.db2.gz GVNASBFHUYHYAT-ZETCQYMHSA-N 1 1 157.213 0.692 50 0 in-vitro ACAAMO COC(=O)[C@@H]1CCCC[N@@H+]1C 35572025 168110875 /nfs/dbraw/zinc/11/08/75/168110875.db2.gz YZEGGKQFWJCIQG-ZETCQYMHSA-N 1 1 157.213 0.644 50 0 ACAAMO COC(=O)[C@@H]1CCCC[N@H+]1C 35572025 168110876 /nfs/dbraw/zinc/11/08/76/168110876.db2.gz YZEGGKQFWJCIQG-ZETCQYMHSA-N 1 1 157.213 0.644 50 0 ACAAMO COC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 98096563 168111328 /nfs/dbraw/zinc/11/13/28/168111328.db2.gz JJBOTQBQXSSOAE-QMMMGPOBSA-N 1 1 187.239 0.269 50 0 in-vitro ACAAMO COC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 98096563 168111329 /nfs/dbraw/zinc/11/13/29/168111329.db2.gz JJBOTQBQXSSOAE-QMMMGPOBSA-N 1 1 187.239 0.269 50 0 in-vitro ACAAMO COC(=O)[C@@H]1C[C@@H](SC)C[NH2+]1 39116232 168111392 /nfs/dbraw/zinc/11/13/92/168111392.db2.gz XXYXGWVHQVVZJR-RITPCOANSA-N 1 1 175.253 0.253 50 0 ACAAMO COC(=O)[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 95829205 168111885 /nfs/dbraw/zinc/11/18/85/168111885.db2.gz OONYTYGHRMYZMS-BDAKNGLRSA-N 1 1 199.250 0.413 50 0 in-vitro ACAAMO COC(=O)[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 95829205 168111887 /nfs/dbraw/zinc/11/18/87/168111887.db2.gz OONYTYGHRMYZMS-BDAKNGLRSA-N 1 1 199.250 0.413 50 0 in-vitro ACAAMO COC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 98210260 168111954 /nfs/dbraw/zinc/11/19/54/168111954.db2.gz BTQWSGIBAROLHY-SFYZADRCSA-N 1 1 185.223 0.023 50 0 ACAAMO COC(=O)C1=C(O)CC[N@@H+](C2CC2)C1 49779883 168112229 /nfs/dbraw/zinc/11/22/29/168112229.db2.gz IQUYUIVHPZAXHF-MRVPVSSYSA-N 1 1 197.234 0.213 50 0 ACAAMO COC(=O)C1=C(O)CC[N@H+](C2CC2)C1 49779883 168112232 /nfs/dbraw/zinc/11/22/32/168112232.db2.gz IQUYUIVHPZAXHF-MRVPVSSYSA-N 1 1 197.234 0.213 50 0 ACAAMO COC(=O)[C@@]1(C)CC[N@@H+](C)C1 34239367 168115411 /nfs/dbraw/zinc/11/54/11/168115411.db2.gz AJHMLHHIBYJZNW-QMMMGPOBSA-N 1 1 157.213 0.501 50 0 ACAAMO COC(=O)[C@H](C)C[NH+]1CCOCC1 19864785 168117274 /nfs/dbraw/zinc/11/72/74/168117274.db2.gz KGDDIHUWJWGQDG-MRVPVSSYSA-N 1 1 187.239 0.128 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])CC1CC1 69553574 168118285 /nfs/dbraw/zinc/11/82/85/168118285.db2.gz FNMJQKSDSQUBJY-ZCFIWIBFSA-N 1 1 143.186 0.287 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1cccnc1 12651225 168118402 /nfs/dbraw/zinc/11/84/02/168118402.db2.gz JQPVBKDLAQDFFY-MRVPVSSYSA-N 1 1 180.207 0.124 50 0 ACAAMO COC(=O)[C@H]([NH3+])Cc1ccccn1 69549794 168118415 /nfs/dbraw/zinc/11/84/15/168118415.db2.gz YPUMFYLWBZTWHR-MRVPVSSYSA-N 1 1 180.207 0.124 50 0 ACAAMO COC(=O)[C@H]([NH3+])CC1CCOCC1 69947529 168118440 /nfs/dbraw/zinc/11/84/40/168118440.db2.gz BQHLKQZNJCKPOM-MRVPVSSYSA-N 1 1 187.239 0.303 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])CC(F)(F)F 16159319 168118459 /nfs/dbraw/zinc/11/84/59/168118459.db2.gz WZKQAIWCKKIFHK-GSVOUGTGSA-N 1 1 171.118 0.439 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])CCSC 34781238 168118525 /nfs/dbraw/zinc/11/85/25/168118525.db2.gz UIHPNZDZCOEZEN-RXMQYKEDSA-N 1 1 163.242 0.240 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1ccc(F)cc1 31969756 168118661 /nfs/dbraw/zinc/11/86/61/168118661.db2.gz NCSHKOSBEYDZFY-SECBINFHSA-N 1 1 197.209 0.869 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1cccc(F)c1 2567643 168118703 /nfs/dbraw/zinc/11/87/03/168118703.db2.gz BZIPAMJMCZCLFS-SECBINFHSA-N 1 1 197.209 0.869 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 19798342 168118814 /nfs/dbraw/zinc/11/88/14/168118814.db2.gz MWZPENIJLUWBSY-SECBINFHSA-N 1 1 195.218 0.435 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1ccsc1 44326954 168118838 /nfs/dbraw/zinc/11/88/38/168118838.db2.gz LOQJOEVPJCMGKJ-SSDOTTSWSA-N 1 1 185.248 0.791 50 0 ACAAMO COC(=O)[C@H]([NH3+])Cc1ccncc1 34435729 168118859 /nfs/dbraw/zinc/11/88/59/168118859.db2.gz MFDSUVIUGDAHLU-MRVPVSSYSA-N 1 1 180.207 0.124 50 0 ACAAMO COC(=O)[C@H]([NH3+])CC(F)F 70651419 168118896 /nfs/dbraw/zinc/11/88/96/168118896.db2.gz XPDDUHZHOWSLCC-GSVOUGTGSA-N 1 1 153.128 0.142 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1ccccc1 19720118 168118915 /nfs/dbraw/zinc/11/89/15/168118915.db2.gz VSDUZFOSJDMAFZ-SECBINFHSA-N 1 1 179.219 0.729 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])CC(C)(C)C 44326964 168119105 /nfs/dbraw/zinc/11/91/05/168119105.db2.gz AHLUWXPHJXOHIQ-ZCFIWIBFSA-N 1 1 159.229 0.923 50 0 ACAAMO COC(=O)[C@H]([NH3+])Cc1cccs1 34198554 168119207 /nfs/dbraw/zinc/11/92/07/168119207.db2.gz PNFKFTGEDLBMPB-SSDOTTSWSA-N 1 1 185.248 0.791 50 0 ACAAMO COC(=O)[C@H]([NH3+])Cc1ccccc1F 57490198 168119243 /nfs/dbraw/zinc/11/92/43/168119243.db2.gz LLMPNHTUKJJNQB-SECBINFHSA-N 1 1 197.209 0.869 50 0 ACAAMO COC(=O)[C@H]([NH3+])Cc1cccc(O)c1 22067419 168119318 /nfs/dbraw/zinc/11/93/18/168119318.db2.gz VYYPEVTYONMYNH-SECBINFHSA-N 1 1 195.218 0.435 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])CCC(C)C 69553405 168119404 /nfs/dbraw/zinc/11/94/04/168119404.db2.gz ZCUUVQGLXPIZRL-SSDOTTSWSA-N 1 1 159.229 0.923 50 0 ACAAMO COC(=O)[C@H]([NH3+])CC(C)C 54954739 168119609 /nfs/dbraw/zinc/11/96/09/168119609.db2.gz QVDXUKJJGUSGLS-ZCFIWIBFSA-N 1 1 145.202 0.533 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])Cc1ccoc1 44327089 168119687 /nfs/dbraw/zinc/11/96/87/168119687.db2.gz CMACEADSSAVSRW-SSDOTTSWSA-N 1 1 169.180 0.322 50 0 ACAAMO COC(=O)[C@H]([NH3+])CC1CCC1 83839150 168119905 /nfs/dbraw/zinc/11/99/05/168119905.db2.gz OSNABBUZQXAKSC-SSDOTTSWSA-N 1 1 157.213 0.677 50 0 in-vitro ACAAMO COC(=O)[C@H]([NH3+])C(C)(C)C 55345588 168119991 /nfs/dbraw/zinc/11/99/91/168119991.db2.gz WCYLIGGIKNKWQX-YFKPBYRVSA-N 1 1 145.202 0.533 50 0 in-vitro ACAAMO COC(=O)[C@H]1CC2CC[NH+]1CC2 33947506 168120299 /nfs/dbraw/zinc/12/02/99/168120299.db2.gz FAQLMHAFLWKSHD-MRVPVSSYSA-N 1 1 169.224 0.644 50 0 ACAAMO COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1[N@@H+]2C 33338142 168121159 /nfs/dbraw/zinc/12/11/59/168121159.db2.gz WXEMSGQRTGSYOG-BKPPORCPSA-N 1 1 197.234 0.211 50 0 ACAAMO COC(=O)[C@H]1CCCC[N@@H+]1C 35572023 168121804 /nfs/dbraw/zinc/12/18/04/168121804.db2.gz YZEGGKQFWJCIQG-SSDOTTSWSA-N 1 1 157.213 0.644 50 0 ACAAMO COC(=O)[C@H]1CCCC[N@H+]1C 35572023 168121805 /nfs/dbraw/zinc/12/18/05/168121805.db2.gz YZEGGKQFWJCIQG-SSDOTTSWSA-N 1 1 157.213 0.644 50 0 ACAAMO COC(=O)[C@H]1CCCCC[NH2+]1 34101735 168121925 /nfs/dbraw/zinc/12/19/25/168121925.db2.gz GVNASBFHUYHYAT-SSDOTTSWSA-N 1 1 157.213 0.692 50 0 in-vitro ACAAMO COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1[N@@H+]2C 4654765 168123735 /nfs/dbraw/zinc/12/37/35/168123735.db2.gz QIQNNBXHAYSQRY-UYXSQOIJSA-N 1 1 199.250 0.003 50 0 endogenous,in-man ACAAMO COC(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C 39058742 168123805 /nfs/dbraw/zinc/12/38/05/168123805.db2.gz KCIDWDVSBWPHLH-ACZMJKKPSA-N 1 1 169.224 0.403 50 0 in-vitro ACAAMO COC(=O)[C@H]1[C@H](O)C[C@@H]2CC[C@H]1[N@@H+]2C 1698750 168125002 /nfs/dbraw/zinc/12/50/02/168125002.db2.gz QIQNNBXHAYSQRY-JQCXWYLXSA-N 1 1 199.250 0.003 50 0 in-vitro ACAAMO COC(=O)[C@]1(C)CC[N@@H+](C)C1 34239368 168125582 /nfs/dbraw/zinc/12/55/82/168125582.db2.gz AJHMLHHIBYJZNW-MRVPVSSYSA-N 1 1 157.213 0.501 50 0 ACAAMO COC(=O)[C@]1([NH3+])C[C@@H]1C(F)(F)F 32629386 168125676 /nfs/dbraw/zinc/12/56/76/168125676.db2.gz YCXQXNNGBFIGHN-UCORVYFPSA-N 1 1 183.129 0.439 50 0 ACAAMO COC(=O)c1c[nH]c2nc[nH+]c(N)c12 39083794 168127601 /nfs/dbraw/zinc/12/76/01/168127601.db2.gz CZYXVFNNUIUREC-UHFFFAOYSA-N 1 1 192.178 0.327 50 0 ACAAMO COC(=O)c1ccc2[nH]c(N)[nH+]c2c1 26898773 168131873 /nfs/dbraw/zinc/13/18/73/168131873.db2.gz WHVPFOLJDWVLSZ-UHFFFAOYSA-N 1 1 191.190 0.932 50 0 in-vitro ACAAMO COC(=O)c1c[nH+]ccc1N 3880839 168135966 /nfs/dbraw/zinc/13/59/66/168135966.db2.gz OCARFFAPQGYGBP-UHFFFAOYSA-N 1 1 152.153 0.450 50 0 in-vitro ACAAMO COC(=O)c1nc(C[NH3+])oc1C 34599230 168137496 /nfs/dbraw/zinc/13/74/96/168137496.db2.gz IWAWQBGFWVVEBH-UHFFFAOYSA-N 1 1 170.168 0.228 50 0 ACAAMO COC(=O)c1csc(C[NH3+])n1 11887451 168137645 /nfs/dbraw/zinc/13/76/45/168137645.db2.gz BOLHSLRYXBDMHR-UHFFFAOYSA-N 1 1 172.209 0.388 50 0 in-vitro ACAAMO COC(C)=[NH2+] 5186019 168141112 /nfs/dbraw/zinc/14/11/12/168141112.db2.gz SJFKGZZCMREBQH-UHFFFAOYSA-N 1 1 73.095 0.630 50 0 in-vitro ACAAMO 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0.746 50 0 in-vitro ACAAMO COCC[N@@H+]1CCNC(C)(C)C1 41168584 168162678 /nfs/dbraw/zinc/16/26/78/168162678.db2.gz WABUYNGRIUGNEG-UHFFFAOYSA-N 1 1 172.272 0.317 50 0 ACAAMO COCC[N@H+]1CCNC(C)(C)C1 41168584 168162680 /nfs/dbraw/zinc/16/26/80/168162680.db2.gz WABUYNGRIUGNEG-UHFFFAOYSA-N 1 1 172.272 0.317 50 0 ACAAMO COCCN1CCC[C@]2(CC[NH2+]C2)C1 72121916 168163201 /nfs/dbraw/zinc/16/32/01/168163201.db2.gz BAFMMLHYUHAVQP-LLVKDONJSA-N 1 1 198.310 0.708 50 0 ACAAMO COCC[NH+]1[C@H](C)CNC[C@H]1C 19801228 168163345 /nfs/dbraw/zinc/16/33/45/168163345.db2.gz NHGOZVXVXAQQMC-RKDXNWHRSA-N 1 1 172.272 0.315 50 0 in-vitro ACAAMO COCC[N@@H+]1CCC[C@H]1CN 19843277 168163385 /nfs/dbraw/zinc/16/33/85/168163385.db2.gz ZYIDBOZXSPLZTK-QMMMGPOBSA-N 1 1 158.245 0.056 50 0 ACAAMO COCC[N@H+]1CCC[C@H]1CN 19843277 168163386 /nfs/dbraw/zinc/16/33/86/168163386.db2.gz ZYIDBOZXSPLZTK-QMMMGPOBSA-N 1 1 158.245 0.056 50 0 ACAAMO COCC[N@@H+]1[C@@H](C)CNC[C@H]1C 22910983 168163605 /nfs/dbraw/zinc/16/36/05/168163605.db2.gz 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158.245 0.056 50 0 ACAAMO COC[C@H]1CCC[N@H+]1CCN 79391974 168192034 /nfs/dbraw/zinc/19/20/34/168192034.db2.gz JYPKZINBXLSDDO-MRVPVSSYSA-N 1 1 158.245 0.056 50 0 ACAAMO COCc1ncc(C[NH3+])[nH]1 39132601 168195835 /nfs/dbraw/zinc/19/58/35/168195835.db2.gz AAJNONKJIOCCEZ-UHFFFAOYSA-N 1 1 141.174 0.015 50 0 ACAAMO COCc1nnc(C[NH3+])s1 83269333 168196769 /nfs/dbraw/zinc/19/67/69/168196769.db2.gz VCZZMVWELZEBJD-UHFFFAOYSA-N 1 1 159.214 0.143 50 0 ACAAMO COCc1nnc([C@H](C)[NH3+])o1 50284274 168197696 /nfs/dbraw/zinc/19/76/96/168197696.db2.gz JDRLZVMHKIKAIQ-BYPYZUCNSA-N 1 1 157.173 0.236 50 0 ACAAMO CO[C@@H]1C[N@@H+](C(C)C)C[C@@H]1N 65356818 168207349 /nfs/dbraw/zinc/20/73/49/168207349.db2.gz RCRIZLJMLOJTPO-JGVFFNPUSA-N 1 1 158.245 0.053 50 0 ACAAMO CO[C@@H]1C[N@H+](C(C)C)C[C@@H]1N 65356818 168207350 /nfs/dbraw/zinc/20/73/50/168207350.db2.gz RCRIZLJMLOJTPO-JGVFFNPUSA-N 1 1 158.245 0.053 50 0 ACAAMO CO[C@@H]1CCc2[nH+]ccn2C1 59086501 168207855 /nfs/dbraw/zinc/20/78/55/168207855.db2.gz BRZLVJBUJXQPJN-SSDOTTSWSA-N 1 1 152.197 0.844 50 0 ACAAMO CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1N 65356819 168208349 /nfs/dbraw/zinc/20/83/49/168208349.db2.gz RCRIZLJMLOJTPO-HTQZYQBOSA-N 1 1 158.245 0.053 50 0 ACAAMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1N 65356819 168208350 /nfs/dbraw/zinc/20/83/50/168208350.db2.gz RCRIZLJMLOJTPO-HTQZYQBOSA-N 1 1 158.245 0.053 50 0 ACAAMO CO[C@H]1CCc2[nH+]ccn2C1 59086502 168219147 /nfs/dbraw/zinc/21/91/47/168219147.db2.gz BRZLVJBUJXQPJN-ZETCQYMHSA-N 1 1 152.197 0.844 50 0 ACAAMO COc1cc(C)[nH+]c(CO)c1 88613650 168232556 /nfs/dbraw/zinc/23/25/56/168232556.db2.gz FOYWYUGVVJWFNK-UHFFFAOYSA-N 1 1 153.181 0.891 50 0 in-vitro ACAAMO COc1cc(N)c(N)c[nH+]1 38386814 168236132 /nfs/dbraw/zinc/23/61/32/168236132.db2.gz JQDQHTDJIYOWQQ-UHFFFAOYSA-N 1 1 139.158 0.255 50 0 in-vitro ACAAMO COc1cc(N)c(C)c[nH+]1 88189856 168236227 /nfs/dbraw/zinc/23/62/27/168236227.db2.gz QCLQAVOXSZVEGY-UHFFFAOYSA-N 1 1 138.170 0.981 50 0 in-vitro ACAAMO COc1cc(N)cc[nH+]1 19735879 168237669 /nfs/dbraw/zinc/23/76/69/168237669.db2.gz SVEQHRSELNPKJJ-UHFFFAOYSA-N 1 1 124.143 0.672 50 0 in-vitro ACAAMO COc1ccc(C(=[NH2+])NO)nc1 38532507 168244781 /nfs/dbraw/zinc/24/47/81/168244781.db2.gz ORAOLRMCSKVOSJ-UHFFFAOYSA-N 1 1 167.168 0.394 50 0 ACAAMO COc1ccc(C(=O)C[NH3+])cc1OC 58114597 168244952 /nfs/dbraw/zinc/24/49/52/168244952.db2.gz UCGKTSFAOXXMHD-UHFFFAOYSA-N 1 1 195.218 0.845 50 0 in-vitro ACAAMO COc1ccc(C(=O)C[NH3+])cc1 53993664 168245016 /nfs/dbraw/zinc/24/50/16/168245016.db2.gz CNYAWQABGNEMFC-UHFFFAOYSA-N 1 1 165.192 0.837 50 0 in-vitro ACAAMO COc1ccc(C)[nH+]c1N 19911426 168247480 /nfs/dbraw/zinc/24/74/80/168247480.db2.gz GCVWQZUQWGOTKH-UHFFFAOYSA-N 1 1 138.170 0.981 50 0 in-vitro ACAAMO COc1ccc(C[C@](C)(N)C[NH3+])cc1 34423378 168250387 /nfs/dbraw/zinc/25/03/87/168250387.db2.gz MDBPTEVGPIYLQS-NSHDSACASA-N 1 1 194.278 0.914 50 0 in-vitro ACAAMO COc1ccc(C[C@@](C)(N)C[NH3+])cc1 34423376 168251754 /nfs/dbraw/zinc/25/17/54/168251754.db2.gz MDBPTEVGPIYLQS-LLVKDONJSA-N 1 1 194.278 0.914 50 0 in-vitro ACAAMO COc1ccc2c(c1)NC(=O)[C@@H]2[NH3+] 100276383 168262773 /nfs/dbraw/zinc/26/27/73/168262773.db2.gz UXGFTZFMDUXIPU-MRVPVSSYSA-N 1 1 178.191 0.647 50 0 in-vitro ACAAMO COc1ccc2c(c1)NC(=O)[C@H]2[NH3+] 19089406 168262856 /nfs/dbraw/zinc/26/28/56/168262856.db2.gz UXGFTZFMDUXIPU-QMMMGPOBSA-N 1 1 178.191 0.647 50 0 in-vitro ACAAMO COc1ccc2c(c1)[C@H]([NH3+])C(=O)N2 96300821 168262888 /nfs/dbraw/zinc/26/28/88/168262888.db2.gz BXDYUCKMRMHEON-QMMMGPOBSA-N 1 1 178.191 0.647 50 0 in-vitro ACAAMO COc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2 19089400 168263542 /nfs/dbraw/zinc/26/35/42/168263542.db2.gz BXDYUCKMRMHEON-MRVPVSSYSA-N 1 1 178.191 0.647 50 0 in-vitro ACAAMO COc1cccc(C(=O)C[NH3+])c1 58114612 168268529 /nfs/dbraw/zinc/26/85/29/168268529.db2.gz ZMSGCJNAVDKWHD-UHFFFAOYSA-N 1 1 165.192 0.837 50 0 in-vitro ACAAMO COc1cccc2c1OC[C@H]([NH3+])C2=O 39090437 168273840 /nfs/dbraw/zinc/27/38/40/168273840.db2.gz KJHKXKBGOHERGJ-ZETCQYMHSA-N 1 1 193.202 0.598 50 0 in-vitro ACAAMO COc1cccc2c1OC[C@@H]([NH3+])C2=O 39090438 168274819 /nfs/dbraw/zinc/27/48/19/168274819.db2.gz KJHKXKBGOHERGJ-SSDOTTSWSA-N 1 1 193.202 0.598 50 0 in-vitro ACAAMO COc1[nH+]ccc(N)c1N 14982566 168288414 /nfs/dbraw/zinc/28/84/14/168288414.db2.gz YAIFNSSQKVRCSO-UHFFFAOYSA-N 1 1 139.158 0.255 50 0 in-vitro ACAAMO COc1[nH+]ccc(N(C)C)c1N 32628461 168288866 /nfs/dbraw/zinc/28/88/66/168288866.db2.gz CEBYCEZLJOQVNE-UHFFFAOYSA-N 1 1 167.212 0.738 50 0 in-vitro ACAAMO CS(=O)(=O)CC[NH+]1CCCC1 96027573 168291816 /nfs/dbraw/zinc/29/18/16/168291816.db2.gz NGRXFQJESUUKOY-UHFFFAOYSA-N 1 1 177.269 0.127 50 0 ACAAMO CS(=O)(=O)c1ccc(C[NH3+])o1 328579346 168294470 /nfs/dbraw/zinc/29/44/70/168294470.db2.gz BXMHHPDUTMFPMC-UHFFFAOYSA-N 1 1 175.209 0.142 50 0 ACAAMO CSCCN1CCC([NH3+])CC1 49478733 168299819 /nfs/dbraw/zinc/29/98/19/168299819.db2.gz XDNZLJFOKWVEEZ-UHFFFAOYSA-N 1 1 174.313 0.773 50 0 in-vitro ACAAMO CSCc1noc(C[NH3+])n1 19090821 168306500 /nfs/dbraw/zinc/30/65/00/168306500.db2.gz FEDGAUALEORIEY-UHFFFAOYSA-N 1 1 159.214 0.391 50 0 in-vitro ACAAMO CSc1nc(N(C)C)cc(N)[nH+]1 330563 168315351 /nfs/dbraw/zinc/31/53/51/168315351.db2.gz ZULDDUZNIUUNKV-UHFFFAOYSA-N 1 1 184.268 0.847 50 0 ACAAMO CSc1nccc(NN)[nH+]1 27838587 168315644 /nfs/dbraw/zinc/31/56/44/168315644.db2.gz AHMAKFIBYJTQAW-UHFFFAOYSA-N 1 1 156.214 0.484 50 0 in-vitro ACAAMO CSc1nnc([C@@H](C)[NH3+])o1 16021998 168317313 /nfs/dbraw/zinc/31/73/13/168317313.db2.gz FSIKREPGNVXLND-GSVOUGTGSA-N 1 1 159.214 0.811 50 0 ACAAMO CSc1nnc([C@H](C)[NH3+])o1 5346175 168318297 /nfs/dbraw/zinc/31/82/97/168318297.db2.gz FSIKREPGNVXLND-VKHMYHEASA-N 1 1 159.214 0.811 50 0 ACAAMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C)C1 32023532 168329353 /nfs/dbraw/zinc/32/93/53/168329353.db2.gz PNFJLSHWBWNVQQ-SFYZADRCSA-N 1 1 170.256 0.592 50 0 ACAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)NC1CC1 48341299 168331455 /nfs/dbraw/zinc/33/14/55/168331455.db2.gz GJCSFSGDBXWOAT-QMMMGPOBSA-N 1 1 196.294 0.995 50 0 ACAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCC1 65564767 168331863 /nfs/dbraw/zinc/33/18/63/168331863.db2.gz OLIGKWVMXYVEKB-VIFPVBQESA-N 1 1 196.294 0.949 50 0 ACAAMO C[C@@H](C1CC1)N1CC[NH2+]CC1 23288729 168332206 /nfs/dbraw/zinc/33/22/06/168332206.db2.gz AXJIJAULSKAVAR-QMMMGPOBSA-N 1 1 154.257 0.690 50 0 in-vitro ACAAMO C[C@@H](CC(=O)[O-])[N@@H+]1CCC[C@H]([NH3+])C1 42289072 168336298 /nfs/dbraw/zinc/33/62/98/168336298.db2.gz LGHNCFBUACNWBQ-YUMQZZPRSA-N 1 1 186.255 0.273 50 0 ACAAMO C[C@@H](CC(=O)[O-])[N@H+]1CCC[C@H]([NH3+])C1 42289072 168336302 /nfs/dbraw/zinc/33/63/02/168336302.db2.gz LGHNCFBUACNWBQ-YUMQZZPRSA-N 1 1 186.255 0.273 50 0 ACAAMO C[C@@H](CCN(C)C)[NH+](C)C 404465 168338035 /nfs/dbraw/zinc/33/80/35/168338035.db2.gz AXFVIWBTKYFOCY-QMMMGPOBSA-N 1 1 144.262 0.888 50 0 ACAAMO C[C@@H](C[NH+](C)C)N(C)C 22033550 168340775 /nfs/dbraw/zinc/34/07/75/168340775.db2.gz JUXXCHAGQCBNTI-ZETCQYMHSA-N 1 1 130.235 0.498 50 0 ACAAMO C[C@@H](CN)[N@H+](C)C1CC1 37080619 168343575 /nfs/dbraw/zinc/34/35/75/168343575.db2.gz CJNQYMXCJLLYEA-LURJTMIESA-N 1 1 128.219 0.428 50 0 in-vitro ACAAMO C[C@@H](CN)[N@@H+](C)C1CC1 37080619 168343577 /nfs/dbraw/zinc/34/35/77/168343577.db2.gz CJNQYMXCJLLYEA-LURJTMIESA-N 1 1 128.219 0.428 50 0 in-vitro ACAAMO C[C@@H](C[NH3+])N1CCCCC1 19735759 168344967 /nfs/dbraw/zinc/34/49/67/168344967.db2.gz UNIIVAXJUCKZHT-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[C@@H](CO)[N@H+]1Cc2cccc(N)c2C1 11730935 168351454 /nfs/dbraw/zinc/35/14/54/168351454.db2.gz HZDIFBMUSWOJHD-QMMMGPOBSA-N 1 1 192.262 0.965 50 0 in-vitro ACAAMO C[C@@H](CO)c1[nH]cc[nH+]1 113999583 168352258 /nfs/dbraw/zinc/35/22/58/168352258.db2.gz PRQKWQBYKJQGJS-YFKPBYRVSA-N 1 1 126.159 0.506 50 0 ACAAMO C[C@@H]([NH3+])C(=O)OC(C)(C)C 55343138 168357917 /nfs/dbraw/zinc/35/79/17/168357917.db2.gz TZHVYFBSLOMRCU-RXMQYKEDSA-N 1 1 145.202 0.675 50 0 in-vitro ACAAMO C[C@@H]([NH3+])C(=O)c1ccco1 235786 168360253 /nfs/dbraw/zinc/36/02/53/168360253.db2.gz RPHQQQUBGVAYGH-RXMQYKEDSA-N 1 1 139.154 0.810 50 0 ACAAMO C[C@@H](N)C[NH+]1CCCC1 19358820 168363414 /nfs/dbraw/zinc/36/34/14/168363414.db2.gz ZLGZKMHJXLDWSP-SSDOTTSWSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C[C@@H]([NH3+])CN1CCCC1 19358820 168363415 /nfs/dbraw/zinc/36/34/15/168363415.db2.gz ZLGZKMHJXLDWSP-SSDOTTSWSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C[C@@H]([NH3+])Cc1ccn[nH]1 41053031 168364197 /nfs/dbraw/zinc/36/41/97/168364197.db2.gz KCYGESYSBXWUJF-RXMQYKEDSA-N 1 1 125.175 0.299 50 0 ACAAMO C[C@@H](N)[C@@H]1CCCC[NH2+]1 34927093 168366238 /nfs/dbraw/zinc/36/62/38/168366238.db2.gz JBZRHQMTFCUHPD-RQJHMYQMSA-N 1 1 128.219 0.476 50 0 ACAAMO C[C@@H](N)[C@@H]1CCC[NH2+]1 34343616 168368305 /nfs/dbraw/zinc/36/83/05/168368305.db2.gz KAEAOSROYJPPIZ-RITPCOANSA-N 1 1 114.192 0.086 50 0 in-vitro ACAAMO C[C@@H](N)[C@H]1CCC[NH2+]1 34343618 168368732 /nfs/dbraw/zinc/36/87/32/168368732.db2.gz KAEAOSROYJPPIZ-PHDIDXHHSA-N 1 1 114.192 0.086 50 0 in-vitro ACAAMO C[C@@H](N)[C@H]1CCCC[NH2+]1 34927095 168369019 /nfs/dbraw/zinc/36/90/19/168369019.db2.gz JBZRHQMTFCUHPD-RNFRBKRXSA-N 1 1 128.219 0.476 50 0 ACAAMO C[C@@H]([NH3+])c1cnc[nH]1 39132792 168370094 /nfs/dbraw/zinc/37/00/94/168370094.db2.gz ZHELUGTZRQNNNL-SCSAIBSYSA-N 1 1 111.148 0.429 50 0 in-vitro ACAAMO C[C@@H]([NH3+])c1nc(C(F)(F)F)n[nH]1 82752505 168372214 /nfs/dbraw/zinc/37/22/14/168372214.db2.gz ABSUTWXXCSJXDD-UWTATZPHSA-N 1 1 180.133 0.843 50 0 ACAAMO C[C@@H]([NH3+])c1nc(C2CC2)no1 20023223 168372349 /nfs/dbraw/zinc/37/23/49/168372349.db2.gz UGYSUKNDXWQRIC-SCSAIBSYSA-N 1 1 153.185 0.967 50 0 in-vitro ACAAMO C[C@@H]([NH3+])c1ncco1 20417885 168373534 /nfs/dbraw/zinc/37/35/34/168373534.db2.gz CWJDVDQXFIORGV-SCSAIBSYSA-N 1 1 112.132 0.694 50 0 in-vitro ACAAMO C[C@@H](O)CCNc1[nH+]cccc1N 42783902 168390061 /nfs/dbraw/zinc/39/00/61/168390061.db2.gz CJOBFPBTBMDGFX-SSDOTTSWSA-N 1 1 181.239 0.847 50 0 ACAAMO C[C@@H](O)C[N@H+]1CCO[C@H](C)C1 37693708 168393602 /nfs/dbraw/zinc/39/36/02/168393602.db2.gz VNBLMWVHBZYUMF-HTQZYQBOSA-N 1 1 159.229 0.088 50 0 in-vitro ACAAMO C[C@@H](O)Cc1[nH]cc[nH+]1 40261494 168397868 /nfs/dbraw/zinc/39/78/68/168397868.db2.gz JHSNSAFVQQRHAD-RXMQYKEDSA-N 1 1 126.159 0.333 50 0 in-vitro ACAAMO C[C@@H](O)[C@@H]([NH3+])C(=O)OC(C)(C)C 57933703 168397967 /nfs/dbraw/zinc/39/79/67/168397967.db2.gz XASPGLPXANLVTJ-PHDIDXHHSA-N 1 1 175.228 0.036 50 0 ACAAMO C[C@@H](O)[C@@H]1CCC[N@H+]1C 34295895 168399203 /nfs/dbraw/zinc/39/92/03/168399203.db2.gz LGZVZTBBCKQEPT-RQJHMYQMSA-N 1 1 129.203 0.461 50 0 ACAAMO C[C@@H](O)[C@H]([NH3+])C(=O)OC(C)(C)C 57933699 168399271 /nfs/dbraw/zinc/39/92/71/168399271.db2.gz XASPGLPXANLVTJ-RITPCOANSA-N 1 1 175.228 0.036 50 0 ACAAMO C[C@@H]1CC(=O)CC[N@@H+]1C 32301912 168411303 /nfs/dbraw/zinc/41/13/03/168411303.db2.gz YLRRFARMTNWZKA-ZCFIWIBFSA-N 1 1 127.187 0.670 50 0 in-vitro ACAAMO C[C@@H]1CC(=O)CC[N@H+]1C 32301912 168411306 /nfs/dbraw/zinc/41/13/06/168411306.db2.gz YLRRFARMTNWZKA-ZCFIWIBFSA-N 1 1 127.187 0.670 50 0 in-vitro ACAAMO C[C@@H]1C[NH2+]C(C)(C)CN1 26899094 168456542 /nfs/dbraw/zinc/45/65/42/168456542.db2.gz BHUBBXYEMNDWPZ-ZCFIWIBFSA-N 1 1 128.219 0.346 50 0 in-vitro ACAAMO C[C@@]([NH3+])(CN)C1CC1 35676908 168496509 /nfs/dbraw/zinc/49/65/09/168496509.db2.gz JXECWUINHWCLRW-ZCFIWIBFSA-N 1 1 114.192 0.073 50 0 in-vitro ACAAMO C[C@H]([NH3+])C(=O)c1ccco1 235784 168543865 /nfs/dbraw/zinc/54/38/65/168543865.db2.gz RPHQQQUBGVAYGH-YFKPBYRVSA-N 1 1 139.154 0.810 50 0 ACAAMO C[C@H](O)[C@H]([NH3+])C(=O)OC(C)(C)C 57933695 168585579 /nfs/dbraw/zinc/58/55/79/168585579.db2.gz XASPGLPXANLVTJ-WDSKDSINSA-N 1 1 175.228 0.036 50 0 ACAAMO C[C@H]1CCCC[N@H+]1CCO 19785890 168599114 /nfs/dbraw/zinc/59/91/14/168599114.db2.gz DUAIISPCCJPFDG-QMMMGPOBSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO C[C@H]1C[C@H](O)C[N@@H+](C)C1 1296041 168660022 /nfs/dbraw/zinc/66/00/22/168660022.db2.gz CBRMWULTQJIPNA-BQBZGAKWSA-N 1 1 129.203 0.319 50 0 ACAAMO C[C@H]1[NH2+]CCCC1=O 72231394 168668183 /nfs/dbraw/zinc/66/81/83/168668183.db2.gz YAGVBVXWOLWYNB-RXMQYKEDSA-N 1 1 113.160 0.327 50 0 ACAAMO Cc1ccc([C@H]2CNCC[NH2+]2)cc1N 211724941 168844152 /nfs/dbraw/zinc/84/41/52/168844152.db2.gz GPLYDROLROUWQR-LLVKDONJSA-N 1 1 191.278 0.811 50 0 ACAAMO Cc1cnc2n1CC[NH2+]C2 34350213 168909933 /nfs/dbraw/zinc/90/99/33/168909933.db2.gz JTXJNDWSZKWBTO-UHFFFAOYSA-N 1 1 137.186 0.295 50 0 ACAAMO Cc1nnc(SCC[NH3+])[nH]1 4503371 168926862 /nfs/dbraw/zinc/92/68/62/168926862.db2.gz HZXHKHYOZYEEOQ-UHFFFAOYSA-N 1 1 158.230 0.164 50 0 ACAAMO Cc1nn(C)c(C)c1[C@@H]1COCC[NH2+]1 82914824 168983541 /nfs/dbraw/zinc/98/35/41/168983541.db2.gz COPZBDLYLMQFFO-VIFPVBQESA-N 1 1 195.266 0.698 50 0 in-vitro ACAAMO Cc1noc(C[NH2+]C2CC2)n1 37396086 169000224 /nfs/dbraw/zinc/00/02/24/169000224.db2.gz MWDKHAHPPBWZAH-UHFFFAOYSA-N 1 1 153.185 0.630 50 0 ACAAMO Cc1noc([C@@H](C)[NH3+])n1 20439890 169001225 /nfs/dbraw/zinc/00/12/25/169001225.db2.gz VZKFDBDBHDMKHK-GSVOUGTGSA-N 1 1 127.147 0.398 50 0 in-vitro ACAAMO Cc1noc([C@@H]([NH3+])C2CCOCC2)n1 170086195 169002164 /nfs/dbraw/zinc/00/21/64/169002164.db2.gz JMYKJPOVDAJOKF-QMMMGPOBSA-N 1 1 197.238 0.804 50 0 ACAAMO Cc1noc([C@H](C)[NH3+])n1 20439894 169002622 /nfs/dbraw/zinc/00/26/22/169002622.db2.gz VZKFDBDBHDMKHK-VKHMYHEASA-N 1 1 127.147 0.398 50 0 in-vitro ACAAMO Cc1noc([C@H]([NH3+])C2CCOCC2)n1 170086193 169003339 /nfs/dbraw/zinc/00/33/39/169003339.db2.gz JMYKJPOVDAJOKF-MRVPVSSYSA-N 1 1 197.238 0.804 50 0 ACAAMO Clc1cnc2n1CC[NH2+]C2 82849898 169025970 /nfs/dbraw/zinc/02/59/70/169025970.db2.gz YPSQTHXMCVQHQP-UHFFFAOYSA-N 1 1 157.604 0.640 50 0 ACAAMO Clc1ncc2c(n1)C[NH2+]C2 35269965 169027578 /nfs/dbraw/zinc/02/75/78/169027578.db2.gz VJPICIAGVDFWEO-UHFFFAOYSA-N 1 1 155.588 0.733 50 0 ACAAMO Clc1ncnc2c1C[NH2+]C2 84227156 169027757 /nfs/dbraw/zinc/02/77/57/169027757.db2.gz OMWQQYBSBGXLIG-UHFFFAOYSA-N 1 1 155.588 0.733 50 0 ACAAMO Cn1c(NCCO)[nH+]c2ccccc21 2573322 169034655 /nfs/dbraw/zinc/03/46/55/169034655.db2.gz AGVCWRQUNMNVHV-UHFFFAOYSA-N 1 1 191.234 0.978 50 0 in-vitro ACAAMO Cn1c(N)[nH+]c2ccncc21 95884079 169035528 /nfs/dbraw/zinc/03/55/28/169035528.db2.gz VSOHJJIWCQRVRQ-UHFFFAOYSA-N 1 1 148.169 0.551 50 0 in-vitro ACAAMO Cn1cc(Br)[nH+]c1N 97758751 169035980 /nfs/dbraw/zinc/03/59/80/169035980.db2.gz XCYLZDSDXABYQL-UHFFFAOYSA-N 1 1 176.017 0.765 50 0 ACAAMO Cn1cc2c(n1)C[NH2+]C2 39094562 169043522 /nfs/dbraw/zinc/04/35/22/169043522.db2.gz FTGAGZCMKGIHMK-UHFFFAOYSA-N 1 1 123.159 0.023 50 0 ACAAMO Cn1ccc2c(N)[nH+]cnc21 1674697 169046964 /nfs/dbraw/zinc/04/69/64/169046964.db2.gz KSOREMDAQHJJKY-UHFFFAOYSA-N 1 1 148.169 0.551 50 0 in-vitro ACAAMO Cn1cccc1-c1noc(C[NH3+])n1 73640985 169047510 /nfs/dbraw/zinc/04/75/10/169047510.db2.gz KFWMLIQSHAYTOZ-UHFFFAOYSA-N 1 1 178.195 0.534 50 0 ACAAMO Cn1cc[nH+]c1CCCO 44382896 169050917 /nfs/dbraw/zinc/05/09/17/169050917.db2.gz GYLAKOUCKWSZPG-UHFFFAOYSA-N 1 1 140.186 0.345 50 0 in-vitro ACAAMO Cn1cc[nH+]c1 6165925 169051381 /nfs/dbraw/zinc/05/13/81/169051381.db2.gz MCTWTZJPVLRJOU-UHFFFAOYSA-N 1 1 82.106 0.420 50 0 in-vivo ACAAMO Cn1c[nH+]c(N)c1 72190649 169055835 /nfs/dbraw/zinc/05/58/35/169055835.db2.gz JABBOSBXQIXTPB-UHFFFAOYSA-N 1 1 97.121 0.002 50 0 in-vitro ACAAMO Cn1cnc([C@H]([NH3+])c2ccccc2)n1 95533496 169056788 /nfs/dbraw/zinc/05/67/88/169056788.db2.gz WQRQJTAFWZEWJY-SECBINFHSA-N 1 1 188.234 0.863 50 0 ACAAMO Cn1cnc([C@@H]([NH3+])c2ccccc2)n1 95533497 169056860 /nfs/dbraw/zinc/05/68/60/169056860.db2.gz WQRQJTAFWZEWJY-VIFPVBQESA-N 1 1 188.234 0.863 50 0 ACAAMO Cn1c[nH+]cc1CCCO 39078677 169058155 /nfs/dbraw/zinc/05/81/55/169058155.db2.gz VPOHJFIHBDOUCK-UHFFFAOYSA-N 1 1 140.186 0.345 50 0 in-vitro ACAAMO Cn1[nH]c(C2(C)CC[NH2+]CC2)cc1=O 100654142 169061331 /nfs/dbraw/zinc/06/13/31/169061331.db2.gz FMGIWYPUTPLEOC-UHFFFAOYSA-N 1 1 195.266 0.767 50 0 ACAAMO Cn1[nH]c([C@H]2CCC[NH2+]C2)cc1=O 100380018 169062636 /nfs/dbraw/zinc/06/26/36/169062636.db2.gz DCIYDDYBEHSTMM-ZETCQYMHSA-N 1 1 181.239 0.593 50 0 ACAAMO Cn1[nH]c([C@@]2(C)CCC[NH2+]C2)cc1=O 252508162 169063120 /nfs/dbraw/zinc/06/31/20/169063120.db2.gz XEUCUVIVXXDROA-JTQLQIEISA-N 1 1 195.266 0.767 50 0 ACAAMO Cn1[nH]c([C@@H]2CC[NH2+]C2)cc1=O 100379426 169063208 /nfs/dbraw/zinc/06/32/08/169063208.db2.gz PRZRPVXTAMJVAR-ZCFIWIBFSA-N 1 1 167.212 0.203 50 0 ACAAMO Cn1[nH]c([C@H]2CC[NH2+]C2)cc1=O 100379429 169063300 /nfs/dbraw/zinc/06/33/00/169063300.db2.gz PRZRPVXTAMJVAR-LURJTMIESA-N 1 1 167.212 0.203 50 0 ACAAMO Cn1[nH]c([C@@H]2CCC[NH2+]C2)cc1=O 100380016 169063889 /nfs/dbraw/zinc/06/38/89/169063889.db2.gz DCIYDDYBEHSTMM-SSDOTTSWSA-N 1 1 181.239 0.593 50 0 ACAAMO Cn1[nH]c([C@]2(C)CCC[NH2+]C2)cc1=O 252508163 169063934 /nfs/dbraw/zinc/06/39/34/169063934.db2.gz XEUCUVIVXXDROA-SNVBAGLBSA-N 1 1 195.266 0.767 50 0 ACAAMO Cn1ncc2c1[NH+]=C(Cl)NC2 34343107 169065769 /nfs/dbraw/zinc/06/57/69/169065769.db2.gz VNXXECBMUOPFOT-UHFFFAOYSA-N 1 1 170.603 0.750 50 0 ACAAMO Cn1nccc1[C@@H]1COCC[NH2+]1 82852958 169067132 /nfs/dbraw/zinc/06/71/32/169067132.db2.gz PAFUQVUJVMLGAV-ZETCQYMHSA-N 1 1 167.212 0.081 50 0 ACAAMO Cn1nccc1[C@H]1COCC[NH2+]1 82852959 169067845 /nfs/dbraw/zinc/06/78/45/169067845.db2.gz PAFUQVUJVMLGAV-SSDOTTSWSA-N 1 1 167.212 0.081 50 0 ACAAMO FC(F)C[NH2+]CCN1CCOCC1 37755794 169074201 /nfs/dbraw/zinc/07/42/01/169074201.db2.gz UCBDLUXNBMRCPK-UHFFFAOYSA-N 1 1 194.225 0.173 50 0 ACAAMO FCC[NH2+]CCF 1698809 169078112 /nfs/dbraw/zinc/07/81/12/169078112.db2.gz SPUSFHUCTMCJRT-UHFFFAOYSA-N 1 1 109.119 0.515 50 0 ACAAMO F[C@H]1CNCC[C@H]1[NH+]1CCC1 95743451 169080636 /nfs/dbraw/zinc/08/06/36/169080636.db2.gz JYRRFTJTUNIUCA-JGVFFNPUSA-N 1 1 158.220 0.392 50 0 ACAAMO F[C@H]1CNCC[C@@H]1[NH+]1CCC1 98095802 169080828 /nfs/dbraw/zinc/08/08/28/169080828.db2.gz JYRRFTJTUNIUCA-YUMQZZPRSA-N 1 1 158.220 0.392 50 0 ACAAMO Fc1ccc(C[C@@H]2CNCC[NH2+]2)cc1 71506753 169082656 /nfs/dbraw/zinc/08/26/56/169082656.db2.gz JNIJHLZPIBHAFG-LLVKDONJSA-N 1 1 194.253 0.930 50 0 ACAAMO Fc1ccc(C[C@H]2CNCC[NH2+]2)cc1 71506754 169082870 /nfs/dbraw/zinc/08/28/70/169082870.db2.gz JNIJHLZPIBHAFG-NSHDSACASA-N 1 1 194.253 0.930 50 0 ACAAMO [NH3+]C[C@H]1CCN(Cc2ccccn2)C1 19480180 169216597 /nfs/dbraw/zinc/21/65/97/169216597.db2.gz OGCLVZXMPJFMIQ-SNVBAGLBSA-N 1 1 191.278 0.862 50 0 ACAAMO N=C(NC(N)=[NH2+])Nc1ccccc1O 20146047 169137798 /nfs/dbraw/zinc/13/77/98/169137798.db2.gz MHBHFAPPQHMMJC-UHFFFAOYSA-N 1 1 193.210 0.222 50 0 ACAAMO NC(=[NH2+])N1CCN(C2CCCC2)CC1 6855127 169137944 /nfs/dbraw/zinc/13/79/44/169137944.db2.gz IOFNFTCHHHWDNU-UHFFFAOYSA-N 1 1 196.298 0.440 50 0 ACAAMO NC(=[NH2+])c1c(O)cccc1F 83119895 169140040 /nfs/dbraw/zinc/14/00/40/169140040.db2.gz BVEZKUUQSMLOKA-UHFFFAOYSA-N 1 1 154.144 0.815 50 0 ACAAMO NC(=[NH2+])c1ncc(F)cc1F 38391966 169140918 /nfs/dbraw/zinc/14/09/18/169140918.db2.gz DUKJVWUITYUNPT-UHFFFAOYSA-N 1 1 157.123 0.644 50 0 in-vitro ACAAMO NC(=[NH2+])c1ccco1 19907 169141068 /nfs/dbraw/zinc/14/10/68/169141068.db2.gz FUVVSNUVSKUJAS-UHFFFAOYSA-N 1 1 110.116 0.564 50 0 ACAAMO NC(=[NH2+])c1ccc2nc[nH]c2c1 3871099 169141584 /nfs/dbraw/zinc/14/15/84/169141584.db2.gz UHGFPMUGEQINGV-UHFFFAOYSA-N 1 1 160.180 0.847 50 0 in-vivo ACAAMO NC(=[NH2+])c1cncs1 39134449 169141591 /nfs/dbraw/zinc/14/15/91/169141591.db2.gz CENALTKWKHZDJV-UHFFFAOYSA-N 1 1 127.172 0.427 50 0 in-vitro ACAAMO NC(=[NH2+])c1ncccc1F 34553100 169141960 /nfs/dbraw/zinc/14/19/60/169141960.db2.gz NKXKHBOEMZSALY-UHFFFAOYSA-N 1 1 139.133 0.505 50 0 in-vitro ACAAMO N=C1NC(=[NH2+])c2ccccc21 388558 169144122 /nfs/dbraw/zinc/14/41/22/169144122.db2.gz RZVCEPSDYHAHLX-UHFFFAOYSA-N 1 1 145.165 0.941 50 0 in-vitro ACAAMO NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 39987570 169150561 /nfs/dbraw/zinc/15/05/61/169150561.db2.gz XZKFUKODIJEUCG-VHSXEESVSA-N 1 1 196.294 0.984 50 0 ACAAMO NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 39987572 169151445 /nfs/dbraw/zinc/15/14/45/169151445.db2.gz XZKFUKODIJEUCG-UWVGGRQHSA-N 1 1 196.294 0.984 50 0 ACAAMO NC(=O)C[N@@H+]1CCc2ccccc2C1 36092292 169152012 /nfs/dbraw/zinc/15/20/12/169152012.db2.gz BQRDVNDUCRMCNJ-UHFFFAOYSA-N 1 1 190.246 0.530 50 0 ACAAMO NC(=O)C[N@H+]1CCc2ccccc2C1 36092292 169152015 /nfs/dbraw/zinc/15/20/15/169152015.db2.gz BQRDVNDUCRMCNJ-UHFFFAOYSA-N 1 1 190.246 0.530 50 0 ACAAMO NC(=O)[C@@H]([NH3+])c1ccccc1Cl 33966182 169159297 /nfs/dbraw/zinc/15/92/97/169159297.db2.gz WTJCEQGWIVTPRR-ZETCQYMHSA-N 1 1 184.626 0.825 50 0 ACAAMO NC(=O)[C@@H]([NH3+])c1ccccc1F 37460236 169160222 /nfs/dbraw/zinc/16/02/22/169160222.db2.gz DVVPRHYWEYAICY-ZETCQYMHSA-N 1 1 168.171 0.311 50 0 in-vitro ACAAMO NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 34568222 169161241 /nfs/dbraw/zinc/16/12/41/169161241.db2.gz NYSSYUHBYRIDQA-JTQLQIEISA-N 1 1 190.246 0.746 50 0 in-vitro ACAAMO NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 34568222 169161243 /nfs/dbraw/zinc/16/12/43/169161243.db2.gz NYSSYUHBYRIDQA-JTQLQIEISA-N 1 1 190.246 0.746 50 0 in-vitro ACAAMO NC(=O)[C@@H]1[NH2+]CCOc2ccccc21 142323471 169161534 /nfs/dbraw/zinc/16/15/34/169161534.db2.gz NMTFYGKGHFARFD-SECBINFHSA-N 1 1 192.218 0.195 50 0 ACAAMO NC(=O)[C@H]([NH3+])c1ccccc1Cl 33966183 169162221 /nfs/dbraw/zinc/16/22/21/169162221.db2.gz WTJCEQGWIVTPRR-SSDOTTSWSA-N 1 1 184.626 0.825 50 0 ACAAMO NC(=O)[C@@]1([NH3+])CCOc2ccccc21 37870557 169162708 /nfs/dbraw/zinc/16/27/08/169162708.db2.gz WZVJPFDPMBSZEB-SNVBAGLBSA-N 1 1 192.218 0.108 50 0 ACAAMO NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 34568220 169163182 /nfs/dbraw/zinc/16/31/82/169163182.db2.gz NYSSYUHBYRIDQA-SNVBAGLBSA-N 1 1 190.246 0.746 50 0 in-vitro ACAAMO NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 34568220 169163184 /nfs/dbraw/zinc/16/31/84/169163184.db2.gz NYSSYUHBYRIDQA-SNVBAGLBSA-N 1 1 190.246 0.746 50 0 in-vitro ACAAMO NC(=O)[C@H]([NH3+])c1ccccc1F 37460237 169163225 /nfs/dbraw/zinc/16/32/25/169163225.db2.gz DVVPRHYWEYAICY-SSDOTTSWSA-N 1 1 168.171 0.311 50 0 in-vitro ACAAMO NC(=O)[C@]1([NH3+])CCOc2ccccc21 37870556 169163512 /nfs/dbraw/zinc/16/35/12/169163512.db2.gz WZVJPFDPMBSZEB-JTQLQIEISA-N 1 1 192.218 0.108 50 0 ACAAMO NC(=O)[C@H]1[NH2+]CCOc2ccccc21 142323657 169164221 /nfs/dbraw/zinc/16/42/21/169164221.db2.gz NMTFYGKGHFARFD-VIFPVBQESA-N 1 1 192.218 0.195 50 0 ACAAMO NC(=S)c1cc(N)cc[nH+]1 61812262 169165988 /nfs/dbraw/zinc/16/59/88/169165988.db2.gz YHUGYOHZVQQVEZ-UHFFFAOYSA-N 1 1 153.210 0.298 50 0 in-vitro ACAAMO NC(=S)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 57218448 169166717 /nfs/dbraw/zinc/16/67/17/169166717.db2.gz XYTSWSRPTJQXAQ-RQJHMYQMSA-N 1 1 186.280 0.136 50 0 in-vitro ACAAMO NC(=S)[C@@H]1C[N@H+]2CCC[C@H]2CO1 57218449 169166754 /nfs/dbraw/zinc/16/67/54/169166754.db2.gz XYTSWSRPTJQXAQ-BQBZGAKWSA-N 1 1 186.280 0.136 50 0 in-vitro ACAAMO NC(=S)[C@H]1C[N@H+]2CCC[C@H]2CO1 57218451 169166786 /nfs/dbraw/zinc/16/67/86/169166786.db2.gz XYTSWSRPTJQXAQ-NKWVEPMBSA-N 1 1 186.280 0.136 50 0 in-vitro ACAAMO NC(=S)[C@H]1C[N@H+]2CCC[C@@H]2CO1 57218450 169166821 /nfs/dbraw/zinc/16/68/21/169166821.db2.gz XYTSWSRPTJQXAQ-RNFRBKRXSA-N 1 1 186.280 0.136 50 0 in-vitro ACAAMO [NH3+]C1(CN2CCCCC2)CC1 32445534 169168878 /nfs/dbraw/zinc/16/88/78/169168878.db2.gz HFHCKUJNYGGXTK-UHFFFAOYSA-N 1 1 154.257 0.964 50 0 in-vitro ACAAMO NC1(C[NH+]2CCCC2)CC1 74934379 169169747 /nfs/dbraw/zinc/16/97/47/169169747.db2.gz MGCJZBYRTULQSR-UHFFFAOYSA-N 1 1 140.230 0.574 50 0 ACAAMO [NH3+]CC(=O)c1cccs1 34679630 169176225 /nfs/dbraw/zinc/17/62/25/169176225.db2.gz CDRVJDMCHHVZIM-UHFFFAOYSA-N 1 1 141.195 0.890 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccc(O)cc1 33821320 169176362 /nfs/dbraw/zinc/17/63/62/169176362.db2.gz MLKZSLFDXAYSHO-UHFFFAOYSA-N 1 1 151.165 0.534 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccco1 39427095 169176550 /nfs/dbraw/zinc/17/65/50/169176550.db2.gz DGQYYEJWTUWJBR-UHFFFAOYSA-N 1 1 125.127 0.421 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccc(F)cc1 53278227 169176686 /nfs/dbraw/zinc/17/66/86/169176686.db2.gz HLYXSMQJWZMANE-UHFFFAOYSA-N 1 1 153.156 0.967 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccccc1 53194795 169176748 /nfs/dbraw/zinc/17/67/48/169176748.db2.gz HEQOJEGTZCTHCF-UHFFFAOYSA-N 1 1 135.166 0.828 50 0 endogenous,in-man ACAAMO [NH3+]CC(=O)c1ccncc1 91689895 169176966 /nfs/dbraw/zinc/17/69/66/169176966.db2.gz SVJIQXGHQJABJI-UHFFFAOYSA-N 1 1 136.154 0.223 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccc2c(c1)OCCO2 53278232 169176970 /nfs/dbraw/zinc/17/69/70/169176970.db2.gz GWXMOWOUOXOCLW-UHFFFAOYSA-N 1 1 193.202 0.599 50 0 ACAAMO [NH3+]CC(=O)c1cccc2c1OCCO2 82388436 169177191 /nfs/dbraw/zinc/17/71/91/169177191.db2.gz QEYMEVVHCQDXTC-UHFFFAOYSA-N 1 1 193.202 0.599 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccc(Cl)nc1 38973294 169177247 /nfs/dbraw/zinc/17/72/47/169177247.db2.gz AHGSTCBCKXCPKC-UHFFFAOYSA-N 1 1 170.599 0.876 50 0 ACAAMO [NH3+]CC(=O)c1ccccc1F 16159244 169177322 /nfs/dbraw/zinc/17/73/22/169177322.db2.gz KXAXANGVOLTRLC-UHFFFAOYSA-N 1 1 153.156 0.967 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccccn1 40448277 169177390 /nfs/dbraw/zinc/17/73/90/169177390.db2.gz GHEZPCWGWSSACG-UHFFFAOYSA-N 1 1 136.154 0.223 50 0 ACAAMO [NH3+]CC(=O)c1cccnc1 65734172 169177402 /nfs/dbraw/zinc/17/74/02/169177402.db2.gz RGUUBRUFWMBQOW-UHFFFAOYSA-N 1 1 136.154 0.223 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ccsc1 34478601 169177447 /nfs/dbraw/zinc/17/74/47/169177447.db2.gz JCFRRSDXJBYROK-UHFFFAOYSA-N 1 1 141.195 0.890 50 0 ACAAMO [NH3+]CC(=O)c1cccc(F)c1 16159246 169177478 /nfs/dbraw/zinc/17/74/78/169177478.db2.gz ZAUWKVYEFLGNAY-UHFFFAOYSA-N 1 1 153.156 0.967 50 0 in-vitro ACAAMO [NH3+]CC1(N2CCCCC2)CCOCC1 36304819 169178056 /nfs/dbraw/zinc/17/80/56/169178056.db2.gz BSOUHAMPERXQNR-UHFFFAOYSA-N 1 1 198.310 0.980 50 0 in-vitro ACAAMO [NH3+]CCCCCN1CCOCC1 4226780 169180483 /nfs/dbraw/zinc/18/04/83/169180483.db2.gz ZFJWLGSTGJGINS-UHFFFAOYSA-N 1 1 172.272 0.448 50 0 ACAAMO [NH3+]CCCCN1CCOCC1 1664890 169180859 /nfs/dbraw/zinc/18/08/59/169180859.db2.gz DUYYFMPMGYATPO-UHFFFAOYSA-N 1 1 158.245 0.058 50 0 ACAAMO [NH3+]CCC[N@H+]1CCC[C@@H](CO)C1 6855294 169182476 /nfs/dbraw/zinc/18/24/76/169182476.db2.gz LEGYMQGRRTXEDZ-SECBINFHSA-N 1 1 172.272 0.040 50 0 in-vitro ACAAMO [NH3+]CCCN1CCC[C@@H](CO)C1 6855294 169182478 /nfs/dbraw/zinc/18/24/78/169182478.db2.gz LEGYMQGRRTXEDZ-SECBINFHSA-N 1 1 172.272 0.040 50 0 in-vitro ACAAMO [NH3+]CCCN1CCCOCC1 61914970 169182599 /nfs/dbraw/zinc/18/25/99/169182599.db2.gz VQNDWTGSBSDETB-UHFFFAOYSA-N 1 1 158.245 0.058 50 0 in-vitro ACAAMO [NH3+]CCC[N@H+]1CCC[C@H](CO)C1 6855271 169182855 /nfs/dbraw/zinc/18/28/55/169182855.db2.gz LEGYMQGRRTXEDZ-VIFPVBQESA-N 1 1 172.272 0.040 50 0 in-vitro ACAAMO [NH3+]CCCN1CCC[C@H](CO)C1 6855271 169182857 /nfs/dbraw/zinc/18/28/57/169182857.db2.gz LEGYMQGRRTXEDZ-VIFPVBQESA-N 1 1 172.272 0.040 50 0 in-vitro ACAAMO [NH3+]CCCNCc1cccnc1 19736873 169183253 /nfs/dbraw/zinc/18/32/53/169183253.db2.gz IFZYTBAJJNWAKE-UHFFFAOYSA-N 1 1 165.240 0.520 50 0 ACAAMO [NH3+]CCCN1CCSCC1 2513801 169184048 /nfs/dbraw/zinc/18/40/48/169184048.db2.gz RECTZHBMZRYGEN-UHFFFAOYSA-N 1 1 160.286 0.384 50 0 in-vitro ACAAMO [NH3+]CCCc1n[nH]c(C2CC2)n1 41058744 169185975 /nfs/dbraw/zinc/18/59/75/169185975.db2.gz BYVMDDKNSVCZEG-UHFFFAOYSA-N 1 1 166.228 0.573 50 0 in-vitro ACAAMO [NH3+]CCCc1nnc(C2CC2)[nH]1 41058744 169185976 /nfs/dbraw/zinc/18/59/76/169185976.db2.gz BYVMDDKNSVCZEG-UHFFFAOYSA-N 1 1 166.228 0.573 50 0 in-vitro ACAAMO NCC[N@@H+](CC1CC1)C1CC1 41056966 169186734 /nfs/dbraw/zinc/18/67/34/169186734.db2.gz UVIXQZKWDUIDEX-UHFFFAOYSA-N 1 1 154.257 0.820 50 0 in-vitro ACAAMO [NH3+]CCN(CC1CC1)C1CC1 41056966 169186735 /nfs/dbraw/zinc/18/67/35/169186735.db2.gz UVIXQZKWDUIDEX-UHFFFAOYSA-N 1 1 154.257 0.820 50 0 in-vitro ACAAMO [NH3+]CCN1CCCC1 19230183 169186892 /nfs/dbraw/zinc/18/68/92/169186892.db2.gz WRXNJTBODVGDRY-UHFFFAOYSA-N 1 1 114.192 0.041 50 0 in-vitro ACAAMO NCC[NH+]1CCCCC1 95071910 169187209 /nfs/dbraw/zinc/18/72/09/169187209.db2.gz CJNRGSHEMCMUOE-UHFFFAOYSA-N 1 1 128.219 0.431 50 0 in-vitro ACAAMO [NH3+]CCN1CCCCCC1 19368587 169187410 /nfs/dbraw/zinc/18/74/10/169187410.db2.gz QHRBDFUMZORTQD-UHFFFAOYSA-N 1 1 142.246 0.821 50 0 in-vitro ACAAMO NCC[NH2+]CCC(F)(F)F 63101427 169189980 /nfs/dbraw/zinc/18/99/80/169189980.db2.gz VDVPGEUEJJDUKZ-UHFFFAOYSA-N 1 1 156.151 0.487 50 0 in-vitro ACAAMO [NH3+]CCNCCc1ccncc1 39712803 169190623 /nfs/dbraw/zinc/19/06/23/169190623.db2.gz JLKUJTQWPMGUME-UHFFFAOYSA-N 1 1 165.240 0.172 50 0 ACAAMO NCC[NH2+]Cc1ccccc1 84403364 169191124 /nfs/dbraw/zinc/19/11/24/169191124.db2.gz ACYBVNYNIZTUIL-UHFFFAOYSA-N 1 1 150.225 0.735 50 0 in-vitro ACAAMO [NH3+]CCc1nc(C2CC2)n[nH]1 41058766 169198554 /nfs/dbraw/zinc/19/85/54/169198554.db2.gz DLVUEWDMHXYYAO-UHFFFAOYSA-N 1 1 152.201 0.183 50 0 ACAAMO [NH3+]CCc1nnc(-c2cccnc2)[nH]1 6322424 169198976 /nfs/dbraw/zinc/19/89/76/169198976.db2.gz HXOFQVNSADVDNC-UHFFFAOYSA-N 1 1 189.222 0.368 50 0 in-vitro ACAAMO [NH3+]CCc1n[nH]c2c1CCCC2 19088348 169199311 /nfs/dbraw/zinc/19/93/11/169199311.db2.gz LGBZUOMTQQXJOK-UHFFFAOYSA-N 1 1 165.240 0.790 50 0 ACAAMO [NH3+]CCc1nc(C2CCOCC2)n[nH]1 77296023 169199507 /nfs/dbraw/zinc/19/95/07/169199507.db2.gz OJXCVOMTBMQRIT-UHFFFAOYSA-N 1 1 196.254 0.200 50 0 ACAAMO [NH3+]CCc1nc(-c2ccccn2)n[nH]1 61844073 169199574 /nfs/dbraw/zinc/19/95/74/169199574.db2.gz KTEDQXSXKJRUJS-UHFFFAOYSA-N 1 1 189.222 0.368 50 0 ACAAMO [NH3+]CCc1n[nH]c(-c2ccccn2)n1 61844073 169199576 /nfs/dbraw/zinc/19/95/76/169199576.db2.gz KTEDQXSXKJRUJS-UHFFFAOYSA-N 1 1 189.222 0.368 50 0 ACAAMO [NH3+]CCc1nc[nH]c1Br 32199362 169199822 /nfs/dbraw/zinc/19/98/22/169199822.db2.gz IDMAMVSNTMUBNI-UHFFFAOYSA-N 1 1 190.044 0.673 50 0 ACAAMO [NH3+]CCc1ncc2ccccn12 20236844 169199871 /nfs/dbraw/zinc/19/98/71/169199871.db2.gz BXQYDJCQKZDDDU-UHFFFAOYSA-N 1 1 161.208 0.836 50 0 in-vitro ACAAMO [NH3+]CCc1nnc([C@H]2CCCO2)[nH]1 72236564 169200292 /nfs/dbraw/zinc/20/02/92/169200292.db2.gz UMAZRWGYIGEYHK-ZCFIWIBFSA-N 1 1 182.227 0.157 50 0 ACAAMO [NH3+]CCc1n[nH]c([C@H]2CCCO2)n1 72236564 169200294 /nfs/dbraw/zinc/20/02/94/169200294.db2.gz UMAZRWGYIGEYHK-ZCFIWIBFSA-N 1 1 182.227 0.157 50 0 ACAAMO [NH3+]CCc1nnc([C@@H]2CCCO2)[nH]1 72236565 169200499 /nfs/dbraw/zinc/20/04/99/169200499.db2.gz UMAZRWGYIGEYHK-LURJTMIESA-N 1 1 182.227 0.157 50 0 ACAAMO [NH3+]CCc1n[nH]c([C@@H]2CCCO2)n1 72236565 169200501 /nfs/dbraw/zinc/20/05/01/169200501.db2.gz UMAZRWGYIGEYHK-LURJTMIESA-N 1 1 182.227 0.157 50 0 ACAAMO NC[C@@H]([NH3+])c1ccccc1 22113526 169202443 /nfs/dbraw/zinc/20/24/43/169202443.db2.gz CRVBQABBEKLFIN-MRVPVSSYSA-N 1 1 136.198 0.645 50 0 in-vitro ACAAMO NC[C@@H](O)C[NH+]1CCCCCC1 19685114 169203342 /nfs/dbraw/zinc/20/33/42/169203342.db2.gz UFQOSDAWMDMNMM-SECBINFHSA-N 1 1 172.272 0.182 50 0 in-vitro ACAAMO NC[C@@H]([NH3+])c1ccc2c(c1)OCCO2 35676928 169203713 /nfs/dbraw/zinc/20/37/13/169203713.db2.gz OEFHGMCGKZAGBL-MRVPVSSYSA-N 1 1 194.234 0.416 50 0 ACAAMO NC[C@@H]([NH3+])c1ccc(CO)cc1 44469192 169203747 /nfs/dbraw/zinc/20/37/47/169203747.db2.gz XBNFSQAHYVLQPX-SECBINFHSA-N 1 1 166.224 0.137 50 0 ACAAMO NC[C@@H](CO)[NH2+]Cc1ccccc1 71606342 169203841 /nfs/dbraw/zinc/20/38/41/169203841.db2.gz OFWZWVVLWDIRJQ-JTQLQIEISA-N 1 1 180.251 0.096 50 0 ACAAMO NC[C@@H]([NH3+])Cc1ccccc1 33882281 169203880 /nfs/dbraw/zinc/20/38/80/169203880.db2.gz CXFFQOZYXJHZNJ-VIFPVBQESA-N 1 1 150.225 0.515 50 0 in-vitro ACAAMO NC[C@@H](O)C[NH2+]CCc1ccccc1 3683767 169204867 /nfs/dbraw/zinc/20/48/67/169204867.db2.gz AXDFSDRNUWNIJC-LLVKDONJSA-N 1 1 194.278 0.138 50 0 ACAAMO [NH3+]C[C@@H](O)CNCc1ccccc1 71498514 169205150 /nfs/dbraw/zinc/20/51/50/169205150.db2.gz XTXWUNXDOGGJCE-SNVBAGLBSA-N 1 1 180.251 0.096 50 0 ACAAMO NC[C@@H]1CCCC[N@@H+]1C1CC1 84426859 169206023 /nfs/dbraw/zinc/20/60/23/169206023.db2.gz FXXHCJDYRWLBBA-VIFPVBQESA-N 1 1 154.257 0.962 50 0 in-vitro ACAAMO NC[C@@H]1CCCC[N@H+]1C1CC1 84426859 169206024 /nfs/dbraw/zinc/20/60/24/169206024.db2.gz FXXHCJDYRWLBBA-VIFPVBQESA-N 1 1 154.257 0.962 50 0 in-vitro ACAAMO [NH3+]C[C@@H]1CC2CCN1CC2 39277360 169206153 /nfs/dbraw/zinc/20/61/53/169206153.db2.gz XVCFWFMLNSQUKQ-QMMMGPOBSA-N 1 1 140.230 0.429 50 0 in-vitro ACAAMO NC[C@@H]1CCC[N@H+]1CC1CC1 39781751 169208077 /nfs/dbraw/zinc/20/80/77/169208077.db2.gz QFIYFROFRTUSPW-VIFPVBQESA-N 1 1 154.257 0.820 50 0 ACAAMO [NH3+]C[C@@H]1CCN(Cc2ccccn2)C1 19480178 169208220 /nfs/dbraw/zinc/20/82/20/169208220.db2.gz OGCLVZXMPJFMIQ-JTQLQIEISA-N 1 1 191.278 0.862 50 0 ACAAMO [NH3+]C[C@@H]1CCc2[nH]cnc2C1 82407964 169209497 /nfs/dbraw/zinc/20/94/97/169209497.db2.gz RHZOREWZVFCKGB-ZCFIWIBFSA-N 1 1 151.213 0.473 50 0 ACAAMO [NH3+]C[C@@H]1CNCc2ccccc21 29347291 169209614 /nfs/dbraw/zinc/20/96/14/169209614.db2.gz RAORDGYAVGAPFQ-SECBINFHSA-N 1 1 162.236 0.832 50 0 ACAAMO [NH3+]C[C@@H]1C[C@@H]2CCCC[N@H+]2C1 68575818 169210546 /nfs/dbraw/zinc/21/05/46/169210546.db2.gz XIGLLLYLIZSLNU-IUCAKERBSA-N 1 1 154.257 0.820 50 0 in-vitro ACAAMO NC[C@@H]1[NH2+]CCc2sccc21 90394300 169210785 /nfs/dbraw/zinc/21/07/85/169210785.db2.gz HKXJRTHHSITXHE-ZETCQYMHSA-N 1 1 168.265 0.894 50 0 ACAAMO NC[C@@H]1[NH2+]CCc2ccccc21 19798135 169210837 /nfs/dbraw/zinc/21/08/37/169210837.db2.gz WZZJAYPARCLIPG-JTQLQIEISA-N 1 1 162.236 0.832 50 0 in-vitro ACAAMO NC[C@H](CO)[NH2+]Cc1ccccc1 71606344 169211037 /nfs/dbraw/zinc/21/10/37/169211037.db2.gz OFWZWVVLWDIRJQ-SNVBAGLBSA-N 1 1 180.251 0.096 50 0 in-vitro ACAAMO NC[C@H]([NH3+])Cc1ccccc1 19366098 169212103 /nfs/dbraw/zinc/21/21/03/169212103.db2.gz CXFFQOZYXJHZNJ-SECBINFHSA-N 1 1 150.225 0.515 50 0 in-vitro ACAAMO NC[C@H](O)C[NH+]1CCCCCC1 19685115 169212380 /nfs/dbraw/zinc/21/23/80/169212380.db2.gz UFQOSDAWMDMNMM-VIFPVBQESA-N 1 1 172.272 0.182 50 0 in-vitro ACAAMO NC[C@H](O)C[NH2+]CCc1ccccc1 2468873 169212468 /nfs/dbraw/zinc/21/24/68/169212468.db2.gz AXDFSDRNUWNIJC-NSHDSACASA-N 1 1 194.278 0.138 50 0 ACAAMO NC[C@H]([NH3+])c1ccccc1 22113530 169212560 /nfs/dbraw/zinc/21/25/60/169212560.db2.gz CRVBQABBEKLFIN-QMMMGPOBSA-N 1 1 136.198 0.645 50 0 in-vitro ACAAMO NC[C@H]([NH3+])c1ccc(CO)cc1 44469195 169212673 /nfs/dbraw/zinc/21/26/73/169212673.db2.gz XBNFSQAHYVLQPX-VIFPVBQESA-N 1 1 166.224 0.137 50 0 ACAAMO NC[C@H]([NH3+])c1ccc2c(c1)OCCO2 35676929 169213052 /nfs/dbraw/zinc/21/30/52/169213052.db2.gz OEFHGMCGKZAGBL-QMMMGPOBSA-N 1 1 194.234 0.416 50 0 ACAAMO [NH3+]C[C@H](O)CNCc1ccccc1 71498516 169213209 /nfs/dbraw/zinc/21/32/09/169213209.db2.gz XTXWUNXDOGGJCE-JTQLQIEISA-N 1 1 180.251 0.096 50 0 ACAAMO NC[C@H]1CCCC[N@@H+]1C1CC1 84426860 169214845 /nfs/dbraw/zinc/21/48/45/169214845.db2.gz FXXHCJDYRWLBBA-SECBINFHSA-N 1 1 154.257 0.962 50 0 in-vitro ACAAMO NC[C@H]1CCCC[N@H+]1C1CC1 84426860 169214847 /nfs/dbraw/zinc/21/48/47/169214847.db2.gz FXXHCJDYRWLBBA-SECBINFHSA-N 1 1 154.257 0.962 50 0 in-vitro ACAAMO [NH3+]C[C@H]1CC2CCN1CC2 39277358 169215091 /nfs/dbraw/zinc/21/50/91/169215091.db2.gz XVCFWFMLNSQUKQ-MRVPVSSYSA-N 1 1 140.230 0.429 50 0 in-vitro ACAAMO NC[C@H]1CCC[N@H+]1CC1CC1 39781750 169215526 /nfs/dbraw/zinc/21/55/26/169215526.db2.gz QFIYFROFRTUSPW-SECBINFHSA-N 1 1 154.257 0.820 50 0 ACAAMO [NH3+]Cc1cc(=O)n(-c2ccccc2)[nH]1 8733300 169219012 /nfs/dbraw/zinc/21/90/12/169219012.db2.gz WPZRVEXLOWFLLR-UHFFFAOYSA-N 1 1 189.218 0.624 50 0 ACAAMO NCc1cc(N)cc[nH+]1 44547431 169220874 /nfs/dbraw/zinc/22/08/74/169220874.db2.gz AURGEKGUIZVWLL-UHFFFAOYSA-N 1 1 123.159 0.123 50 0 ACAAMO NCc1ccc(C[NH3+])o1 22052187 169222901 /nfs/dbraw/zinc/22/29/01/169222901.db2.gz VKLGKDZCKSMSHG-UHFFFAOYSA-N 1 1 126.159 0.197 50 0 in-vitro ACAAMO [NH3+]Cc1nc(C2CC2)no1 20441078 169228593 /nfs/dbraw/zinc/22/85/93/169228593.db2.gz QIKHXVOOIAHGOB-UHFFFAOYSA-N 1 1 139.158 0.406 50 0 in-vitro ACAAMO [NH3+]Cc1nc(C(F)(F)F)n[nH]1 72236532 169228826 /nfs/dbraw/zinc/22/88/26/169228826.db2.gz MWAFEMVKTCQEFP-UHFFFAOYSA-N 1 1 166.106 0.282 50 0 in-vitro ACAAMO [NH3+]Cc1nc(-c2ccncc2)no1 8983727 169229017 /nfs/dbraw/zinc/22/90/17/169229017.db2.gz VWSKAKZXPVMTLX-UHFFFAOYSA-N 1 1 176.179 0.590 50 0 in-vitro ACAAMO [NH3+]Cc1nc(CN2CCCCC2)no1 16944029 169229238 /nfs/dbraw/zinc/22/92/38/169229238.db2.gz PXTOVWDYLGAQPH-UHFFFAOYSA-N 1 1 196.254 0.514 50 0 ACAAMO [NH3+]Cc1nc(-c2cccc(O)c2)no1 20268670 169229493 /nfs/dbraw/zinc/22/94/93/169229493.db2.gz UCQJZVZDPXKPFJ-UHFFFAOYSA-N 1 1 191.190 0.901 50 0 ACAAMO [NH3+]Cc1nc(-c2ccco2)no1 8729353 169229544 /nfs/dbraw/zinc/22/95/44/169229544.db2.gz ANSWDWHXSDQDIV-UHFFFAOYSA-N 1 1 165.152 0.788 50 0 ACAAMO [NH3+]Cc1nc(Br)n[nH]1 98213441 169229709 /nfs/dbraw/zinc/22/97/09/169229709.db2.gz PZOVWMAJFNVDFJ-UHFFFAOYSA-N 1 1 177.005 0.026 50 0 in-vitro ACAAMO [NH3+]Cc1nc(-c2cccnc2)no1 9927100 169229855 /nfs/dbraw/zinc/22/98/55/169229855.db2.gz YMSAQOZOTRIKJQ-UHFFFAOYSA-N 1 1 176.179 0.590 50 0 in-vitro ACAAMO [NH3+]Cc1nc(C(F)(F)F)no1 73641127 169229921 /nfs/dbraw/zinc/22/99/21/169229921.db2.gz VSMJCPURCKGNMY-UHFFFAOYSA-N 1 1 167.090 0.547 50 0 in-vitro ACAAMO [NH3+]Cc1nc(-c2ccccn2)no1 19089674 169229946 /nfs/dbraw/zinc/22/99/46/169229946.db2.gz RIQNXCLFKYLPTC-UHFFFAOYSA-N 1 1 176.179 0.590 50 0 in-vitro ACAAMO [NH3+]Cc1ncc(C(F)(F)F)[nH]1 36870894 169230013 /nfs/dbraw/zinc/23/00/13/169230013.db2.gz KWQCRYJWRRUUOC-UHFFFAOYSA-N 1 1 165.118 0.887 50 0 ACAAMO [NH3+]Cc1nc2ccccn2n1 82749124 169230233 /nfs/dbraw/zinc/23/02/33/169230233.db2.gz WDZWUBFUAJAJSK-UHFFFAOYSA-N 1 1 148.169 0.188 50 0 ACAAMO [NH3+]Cc1nnc(-c2ccncc2)o1 11585605 169230380 /nfs/dbraw/zinc/23/03/80/169230380.db2.gz ZYRQEBXPMGBZIB-UHFFFAOYSA-N 1 1 176.179 0.590 50 0 ACAAMO [NH3+]Cc1nnc(C2CC2)o1 11585588 169230631 /nfs/dbraw/zinc/23/06/31/169230631.db2.gz DNVNVWZQZDEHMD-UHFFFAOYSA-N 1 1 139.158 0.406 50 0 in-vitro ACAAMO [NH3+]Cc1nnc(-c2cccnc2)o1 11585602 169231170 /nfs/dbraw/zinc/23/11/70/169231170.db2.gz SHTZAGGECCECIA-UHFFFAOYSA-N 1 1 176.179 0.590 50 0 ACAAMO [NH3+]Cc1ncco1 2527133 169231230 /nfs/dbraw/zinc/23/12/30/169231230.db2.gz ZLKZGKDNYHEPFV-UHFFFAOYSA-N 1 1 98.105 0.133 50 0 in-vitro ACAAMO [NH3+]Cc1nc2ncccc2o1 71477381 169231476 /nfs/dbraw/zinc/23/14/76/169231476.db2.gz OJONPNRQKNBETI-UHFFFAOYSA-N 1 1 149.153 0.682 50 0 ACAAMO [NH3+]Cc1ncn(-c2ccccc2)n1 107124794 169231895 /nfs/dbraw/zinc/23/18/95/169231895.db2.gz OJONNJZNZZAYOQ-UHFFFAOYSA-N 1 1 174.207 0.726 50 0 ACAAMO [NH3+]Cc1noc(C(F)(F)Cl)n1 88611729 169232187 /nfs/dbraw/zinc/23/21/87/169232187.db2.gz PXEAWSSUVNKRFI-UHFFFAOYSA-N 1 1 183.545 0.816 50 0 in-vitro ACAAMO [NH3+]Cc1noc(C(F)(F)F)n1 72109418 169232270 /nfs/dbraw/zinc/23/22/70/169232270.db2.gz WMAOXYRYNOOQMD-UHFFFAOYSA-N 1 1 167.090 0.547 50 0 ACAAMO [NH3+]Cc1noc([C@H]2CCCO2)n1 21953108 169232360 /nfs/dbraw/zinc/23/23/60/169232360.db2.gz VURLXSWIIQBSAS-RXMQYKEDSA-N 1 1 169.184 0.380 50 0 in-vitro ACAAMO [NH3+]Cc1noc(C2CCC2)n1 19090798 169232506 /nfs/dbraw/zinc/23/25/06/169232506.db2.gz IPFHYVDQNXSDFN-UHFFFAOYSA-N 1 1 153.185 0.796 50 0 in-vitro ACAAMO [NH3+]Cc1noc(C2CC2)n1 19092796 169232573 /nfs/dbraw/zinc/23/25/73/169232573.db2.gz OHHMKIRNPAHPPV-UHFFFAOYSA-N 1 1 139.158 0.406 50 0 in-vitro ACAAMO [NH3+]Cc1nnc(C2CC2)s1 58517709 169232610 /nfs/dbraw/zinc/23/26/10/169232610.db2.gz WLAIOTMIXQNEST-UHFFFAOYSA-N 1 1 155.226 0.874 50 0 in-vitro ACAAMO [NH3+]Cc1noc(CC(F)(F)F)n1 41052035 169232858 /nfs/dbraw/zinc/23/28/58/169232858.db2.gz WCVRGURSGXXFRL-UHFFFAOYSA-N 1 1 181.117 0.633 50 0 in-vitro ACAAMO [NH3+]Cc1noc(-c2ccco2)n1 8729398 169232962 /nfs/dbraw/zinc/23/29/62/169232962.db2.gz RDNGKMYQHYNSPV-UHFFFAOYSA-N 1 1 165.152 0.788 50 0 ACAAMO [NH3+]Cc1nnc(N2CCCCC2)o1 11587222 169232993 /nfs/dbraw/zinc/23/29/93/169232993.db2.gz AMRWCMHXSOIYPO-UHFFFAOYSA-N 1 1 182.227 0.519 50 0 ACAAMO 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144.565 0.416 50 0 in-vitro ACAAMO NN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 20596094 169237972 /nfs/dbraw/zinc/23/79/72/169237972.db2.gz RRMYEVSAFFPAEV-LLVKDONJSA-N 1 1 191.278 0.724 50 0 ACAAMO NNc1cc[nH+]cc1 1596462 169238721 /nfs/dbraw/zinc/23/87/21/169238721.db2.gz KRTLKPFLTASKCG-UHFFFAOYSA-N 1 1 109.132 0.367 50 0 in-vitro ACAAMO NNc1cnc2ccccc2[nH+]1 165342 169239121 /nfs/dbraw/zinc/23/91/21/169239121.db2.gz GULVDPYLWVXKGC-UHFFFAOYSA-N 1 1 160.180 0.915 50 0 in-vitro ACAAMO NNc1nc(C(F)(F)F)cc[nH+]1 1081192 169239685 /nfs/dbraw/zinc/23/96/85/169239685.db2.gz XQCAINVUBSAUBJ-UHFFFAOYSA-N 1 1 178.117 0.781 50 0 in-vitro ACAAMO NNc1[nH+]cnc2ccsc12 160074 169239774 /nfs/dbraw/zinc/23/97/74/169239774.db2.gz VSJGLBGUBIKIJZ-UHFFFAOYSA-N 1 1 166.209 0.977 50 0 in-vitro ACAAMO N[C@@H](C1CC1)[C@@H]([NH3+])C1CC1 98042889 169243058 /nfs/dbraw/zinc/24/30/58/169243058.db2.gz CDLQVSKJOZENHM-YUMQZZPRSA-N 1 1 140.230 0.461 50 0 ACAAMO [NH3+][C@@H](CO)C(=O)OCc1ccccc1 35050974 169244350 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114.192 0.215 50 0 world ACAAMO N[C@@H]1CCCC[NH2+]C1 38337175 169251710 /nfs/dbraw/zinc/25/17/10/169251710.db2.gz WJUBYASTGWKFHK-ZCFIWIBFSA-N 1 1 114.192 0.087 50 0 in-vitro ACAAMO [NH3+][C@@H]1CCCc2cn[nH]c21 78206505 169252936 /nfs/dbraw/zinc/25/29/36/169252936.db2.gz WOALOICTMCSWHN-ZCFIWIBFSA-N 1 1 137.186 0.746 50 0 in-vitro ACAAMO [NH3+][C@@H]1CCCc2[nH]ncc21 20439228 169253634 /nfs/dbraw/zinc/25/36/34/169253634.db2.gz RMKSYSZDGNFLNL-ZCFIWIBFSA-N 1 1 137.186 0.746 50 0 ACAAMO N[C@@H]1CC[N@@H+](CC2CCC2)C1 37242470 169253854 /nfs/dbraw/zinc/25/38/54/169253854.db2.gz MLUPXTWMGVBYCF-SECBINFHSA-N 1 1 154.257 0.820 50 0 ACAAMO N[C@@H]1CC[N@@H+]2CCC[C@@H]12 22923629 169253870 /nfs/dbraw/zinc/25/38/70/169253870.db2.gz NEZWZGLYKBFCQX-RQJHMYQMSA-N 1 1 126.203 0.182 50 0 in-vitro ACAAMO N[C@@H]1CC[N@H+]2CCC[C@@H]12 22923629 169253871 /nfs/dbraw/zinc/25/38/71/169253871.db2.gz NEZWZGLYKBFCQX-RQJHMYQMSA-N 1 1 126.203 0.182 50 0 in-vitro ACAAMO N[C@@H]1CC[N@@H+](C2CC2)C1 31996438 169253899 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140.230 0.572 50 0 ACAAMO N[C@@H]1CC[N@H+](C2CCC2)C1 52210725 169254257 /nfs/dbraw/zinc/25/42/57/169254257.db2.gz CBUJLUQYQRTKEF-SSDOTTSWSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@@H]1CC[N@H+](C2CCOCC2)C1 36319878 169254354 /nfs/dbraw/zinc/25/43/54/169254354.db2.gz ZFQDRISFVOYKQU-MRVPVSSYSA-N 1 1 170.256 0.198 50 0 ACAAMO [NH3+][C@@H]1CCN(C2CCOCC2)C1 36319878 169254358 /nfs/dbraw/zinc/25/43/58/169254358.db2.gz ZFQDRISFVOYKQU-MRVPVSSYSA-N 1 1 170.256 0.198 50 0 ACAAMO N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 25877112 169254720 /nfs/dbraw/zinc/25/47/20/169254720.db2.gz RBFAPBHHGYLKEK-SFYZADRCSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@@H]1CC[N@H+]2CCCC[C@@H]12 25877112 169254721 /nfs/dbraw/zinc/25/47/21/169254721.db2.gz RBFAPBHHGYLKEK-SFYZADRCSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@@H]1CC[N@H+](C2CCCC2)C1 31996466 169254932 /nfs/dbraw/zinc/25/49/32/169254932.db2.gz MKSRQKFKDYWWBT-MRVPVSSYSA-N 1 1 154.257 0.962 50 0 in-vitro ACAAMO N[C@@H]1CC[N@@H+]2CCC[C@H]12 22923624 169255055 /nfs/dbraw/zinc/25/50/55/169255055.db2.gz NEZWZGLYKBFCQX-RNFRBKRXSA-N 1 1 126.203 0.182 50 0 in-vitro ACAAMO N[C@@H]1CC[N@H+]2CCC[C@H]12 22923624 169255057 /nfs/dbraw/zinc/25/50/57/169255057.db2.gz NEZWZGLYKBFCQX-RNFRBKRXSA-N 1 1 126.203 0.182 50 0 in-vitro ACAAMO [NH3+][C@@H]1CCc2cn[nH]c2C1 18560336 169255413 /nfs/dbraw/zinc/25/54/13/169255413.db2.gz LIDRLTJNPRPOFD-ZCFIWIBFSA-N 1 1 137.186 0.226 50 0 in-vitro ACAAMO [NH3+][C@@H]1CCOc2ccccc2C1=O 36455983 169255448 /nfs/dbraw/zinc/25/54/48/169255448.db2.gz DUNJIIVHSHUCAW-MRVPVSSYSA-N 1 1 177.203 0.979 50 0 ACAAMO [NH3+][C@@H]1CCc2[nH]cnc2C1 5116804 169256562 /nfs/dbraw/zinc/25/65/62/169256562.db2.gz XPJLVDOGXOROPC-RXMQYKEDSA-N 1 1 137.186 0.226 50 0 in-vitro ACAAMO [NH3+][C@@H]1CS(=O)(=O)c2ccccc21 35688028 169256631 /nfs/dbraw/zinc/25/66/31/169256631.db2.gz HKQBTGLZBNDHLG-SSDOTTSWSA-N 1 1 183.232 0.474 50 0 in-vitro ACAAMO [NH3+][C@@H]1COCCC1(F)F 95932419 169256856 /nfs/dbraw/zinc/25/68/56/169256856.db2.gz LSGKYSUJOFSICL-SCSAIBSYSA-N 1 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169270650 /nfs/dbraw/zinc/27/06/50/169270650.db2.gz UALFYMMGEYDHHJ-QMMMGPOBSA-N 1 1 140.230 0.429 50 0 ACAAMO [NH3+][C@H]1C(=O)Nc2ccc(F)cc21 100287417 169270693 /nfs/dbraw/zinc/27/06/93/169270693.db2.gz CCHUQLXBDSMRIX-SSDOTTSWSA-N 1 1 166.155 0.778 50 0 in-vitro ACAAMO [NH3+][C@H]1CC1(F)F 35598502 169271137 /nfs/dbraw/zinc/27/11/37/169271137.db2.gz ZZZWPZNCTRVYMD-REOHCLBHSA-N 1 1 93.076 0.353 50 0 in-vitro ACAAMO [NH3+][C@H]1C(=O)Nc2ccccc21 100002743 169271340 /nfs/dbraw/zinc/27/13/40/169271340.db2.gz KOURBIFKJIEMRK-SSDOTTSWSA-N 1 1 148.165 0.639 50 0 in-vitro ACAAMO N[C@H]1CCCC[NH2+]C1 38337176 169271756 /nfs/dbraw/zinc/27/17/56/169271756.db2.gz WJUBYASTGWKFHK-LURJTMIESA-N 1 1 114.192 0.087 50 0 in-vitro ACAAMO N[C@H]1CCC[N@@H+]2CCC[C@@H]12 82410163 169271809 /nfs/dbraw/zinc/27/18/09/169271809.db2.gz SHXUPEAVNUWGDU-YUMQZZPRSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@H]1CCC[N@H+]2CCC[C@@H]12 82410163 169271811 /nfs/dbraw/zinc/27/18/11/169271811.db2.gz SHXUPEAVNUWGDU-YUMQZZPRSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@@H]1CCCC[C@@H]1[NH3+] 3593790 169272038 /nfs/dbraw/zinc/27/20/38/169272038.db2.gz SSJXIUAHEKJCMH-OLQVQODUSA-N 1 1 114.192 0.215 50 0 world ACAAMO N[C@H]1CCCC[C@H]1[NH3+] 3593790 169272039 /nfs/dbraw/zinc/27/20/39/169272039.db2.gz SSJXIUAHEKJCMH-OLQVQODUSA-N 1 1 114.192 0.215 50 0 world ACAAMO N[C@H]1CCCC[C@@H]1[NH3+] 38174299 169272449 /nfs/dbraw/zinc/27/24/49/169272449.db2.gz SSJXIUAHEKJCMH-WDSKDSINSA-N 1 1 114.192 0.215 50 0 world ACAAMO N[C@@H]1CCCCC[C@@H]1[NH3+] 5842613 169272716 /nfs/dbraw/zinc/27/27/16/169272716.db2.gz DBBUVLSRTWYISN-KNVOCYPGSA-N 1 1 128.219 0.605 50 0 ACAAMO N[C@H]1CCCCC[C@H]1[NH3+] 5842613 169272718 /nfs/dbraw/zinc/27/27/18/169272718.db2.gz DBBUVLSRTWYISN-KNVOCYPGSA-N 1 1 128.219 0.605 50 0 ACAAMO N[C@H]1CC[N@@H+]2CCCC[C@@H]12 25877115 169274113 /nfs/dbraw/zinc/27/41/13/169274113.db2.gz RBFAPBHHGYLKEK-YUMQZZPRSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@H]1CC[N@H+]2CCCC[C@@H]12 25877115 169274114 /nfs/dbraw/zinc/27/41/14/169274114.db2.gz 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156374 169305384 /nfs/dbraw/zinc/30/53/84/169305384.db2.gz XELRMPRLCPFTBH-UHFFFAOYSA-N 1 1 160.180 0.794 50 0 in-vitro ACAAMO Nc1[nH]c2ccc(CO)cc2[nH+]1 39335000 169306513 /nfs/dbraw/zinc/30/65/13/169306513.db2.gz HXSBQFFQWWHYRZ-UHFFFAOYSA-N 1 1 163.180 0.637 50 0 ACAAMO Nc1[nH+]c2ccccc2n1N 17105641 169308139 /nfs/dbraw/zinc/30/81/39/169308139.db2.gz JPVWRXBVNNXNND-UHFFFAOYSA-N 1 1 148.169 0.332 50 0 in-vitro ACAAMO Nc1[nH]c2cnccc2[nH+]1 100014821 169308351 /nfs/dbraw/zinc/30/83/51/169308351.db2.gz KYAFCVSEPWYUSW-UHFFFAOYSA-N 1 1 134.142 0.540 50 0 ACAAMO Nc1[nH+]cccc1CCO 69943952 169308548 /nfs/dbraw/zinc/30/85/48/169308548.db2.gz WXLBHOMNJPKFIF-UHFFFAOYSA-N 1 1 138.170 0.199 50 0 in-vitro ACAAMO Nc1[nH+]cccc1CCCO 39961309 169308835 /nfs/dbraw/zinc/30/88/35/169308835.db2.gz RCBLWTYTSGRYGX-UHFFFAOYSA-N 1 1 152.197 0.589 50 0 in-vitro ACAAMO Nc1nc(N2CCC[C@@H]2CO)cc[nH+]1 87821308 169308954 /nfs/dbraw/zinc/30/89/54/169308954.db2.gz PGCYINCTQUTZAI-SSDOTTSWSA-N 1 1 194.238 0.020 50 0 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169374030 /nfs/dbraw/zinc/37/40/30/169374030.db2.gz WYOIGGSUICKDNZ-LURJTMIESA-N 1 1 125.171 0.424 50 0 in-vitro ACAAMO O=C1CC[N@H+]2CCC[C@H]2C1 18506830 169374448 /nfs/dbraw/zinc/37/44/48/169374448.db2.gz CQTKSBAHMPWPQD-ZETCQYMHSA-N 1 1 139.198 0.814 50 0 in-vitro ACAAMO O=C1C[NH+]2CCC1CC2 164555 169377655 /nfs/dbraw/zinc/37/76/55/169377655.db2.gz ZKMZPXWMMSBLNO-UHFFFAOYSA-N 1 1 125.171 0.281 50 0 in-vitro ACAAMO O=C1C[NH2+][C@H]2CCCC[C@@H]2N1 34188973 169377991 /nfs/dbraw/zinc/37/79/91/169377991.db2.gz JPYREMMLJKWDCF-BQBZGAKWSA-N 1 1 154.213 0.017 50 0 in-vitro ACAAMO O=C1C[NH2+]CCC[C@H]1F 110915874 169378117 /nfs/dbraw/zinc/37/81/17/169378117.db2.gz DPXLGZXDOYPIFN-RXMQYKEDSA-N 1 1 131.150 0.277 50 0 ACAAMO O=C1C[NH2+][C@@H]2CCCC[C@@H]2N1 34188969 169378210 /nfs/dbraw/zinc/37/82/10/169378210.db2.gz JPYREMMLJKWDCF-RQJHMYQMSA-N 1 1 154.213 0.017 50 0 in-vitro ACAAMO O=C1C[NH2+][C@H]2CCCC[C@H]2N1 34188971 169378233 /nfs/dbraw/zinc/37/82/33/169378233.db2.gz JPYREMMLJKWDCF-NKWVEPMBSA-N 1 1 154.213 0.017 50 0 in-vitro ACAAMO O=C1C[NH2+]CC2(CCCC2)N1 95642585 169378387 /nfs/dbraw/zinc/37/83/87/169378387.db2.gz VFJZRCKRTHTEAR-UHFFFAOYSA-N 1 1 154.213 0.019 50 0 ACAAMO O=C1C[NH2+]CCN1CC1CCCC1 51666577 169378400 /nfs/dbraw/zinc/37/84/00/169378400.db2.gz GLBXLVVZYRKBEW-UHFFFAOYSA-N 1 1 182.267 0.608 50 0 ACAAMO O=C1C[NH2+]C[C@H](Cc2ccccc2)N1 39115394 169378472 /nfs/dbraw/zinc/37/84/72/169378472.db2.gz PGNYGDAFMUYUNJ-JTQLQIEISA-N 1 1 190.246 0.317 50 0 ACAAMO O=C1C[NH2+]CCC[C@@H]1F 110915871 169378565 /nfs/dbraw/zinc/37/85/65/169378565.db2.gz DPXLGZXDOYPIFN-YFKPBYRVSA-N 1 1 131.150 0.277 50 0 ACAAMO O=C1C[NH2+]CCN1Cc1ccccc1 4202922 169378617 /nfs/dbraw/zinc/37/86/17/169378617.db2.gz BNPCRHWMJSUKDM-UHFFFAOYSA-N 1 1 190.246 0.618 50 0 in-vitro ACAAMO O=C1C[NH2+][C@@H]2CCCC[C@H]2N1 34188967 169378796 /nfs/dbraw/zinc/37/87/96/169378796.db2.gz JPYREMMLJKWDCF-RNFRBKRXSA-N 1 1 154.213 0.017 50 0 in-vitro ACAAMO O=C1C[NH2+]CCN1C1CCCCC1 4503355 169378897 /nfs/dbraw/zinc/37/88/97/169378897.db2.gz OSFLFWJEDYTKEX-UHFFFAOYSA-N 1 1 182.267 0.751 50 0 ACAAMO O=C1C[NH2+]CCC12CC2 95743106 169378940 /nfs/dbraw/zinc/37/89/40/169378940.db2.gz CPPHCHWPIKJNJA-UHFFFAOYSA-N 1 1 125.171 0.329 50 0 ACAAMO O=C1C[NH2+]CCN1C1CCCC1 873818 169378972 /nfs/dbraw/zinc/37/89/72/169378972.db2.gz ARBQQMHPEQJNID-UHFFFAOYSA-N 1 1 168.240 0.361 50 0 in-vitro ACAAMO O=C1C[C@@H](c2ccccc2)[NH2+]CCN1 32935037 169381104 /nfs/dbraw/zinc/38/11/04/169381104.db2.gz UATUVKKDKVFGGB-JTQLQIEISA-N 1 1 190.246 0.837 50 0 in-vitro ACAAMO O=C1C[C@@H]2CCCC[N@H+]2C1 83255396 169381676 /nfs/dbraw/zinc/38/16/76/169381676.db2.gz GNBXSXWCRFYWBT-ZETCQYMHSA-N 1 1 139.198 0.814 50 0 ACAAMO O=C1C[C@@H]2CCC[N@@H+]2C1 39094784 169381705 /nfs/dbraw/zinc/38/17/05/169381705.db2.gz SUDPHUUFVZFKBR-LURJTMIESA-N 1 1 125.171 0.424 50 0 ACAAMO O=C1C[C@@H]2CCC[N@H+]2C1 39094784 169381706 /nfs/dbraw/zinc/38/17/06/169381706.db2.gz SUDPHUUFVZFKBR-LURJTMIESA-N 1 1 125.171 0.424 50 0 ACAAMO 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c1[nH]c2c([nH+]1)CCC2 26441246 169488061 /nfs/dbraw/zinc/48/80/61/169488061.db2.gz IIQDERIUJKTLRA-UHFFFAOYSA-N 1 1 108.144 0.898 50 0 in-vitro ACAAMO c1noc([C@H]2CCCC[NH2+]2)n1 40454067 169490644 /nfs/dbraw/zinc/49/06/44/169490644.db2.gz MESIIFYBDRDBEH-ZCFIWIBFSA-N 1 1 153.185 0.884 50 0 ACAAMO CC1(C)COC(N)=[NH+]1 2247 170991075 /nfs/dbraw/zinc/99/10/75/170991075.db2.gz OHCXSLPXSUWTKQ-UHFFFAOYSA-N 1 1 114.148 0.110 50 0 in-man ACAAMO c1ccc(C2=[NH+]CCN2)nc1 1595963 170998508 /nfs/dbraw/zinc/99/85/08/170998508.db2.gz BPPSPXOWNGOEGL-UHFFFAOYSA-N 1 1 147.181 0.431 50 0 ACAAMO C[N@H+]1CCC[C@@H](O)C1 1695063 171000866 /nfs/dbraw/zinc/00/08/66/171000866.db2.gz UKANCZCEGQDKGF-ZCFIWIBFSA-N 1 1 115.176 0.073 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@@H]1CCO 1701707 171001444 /nfs/dbraw/zinc/00/14/44/171001444.db2.gz OVMRRCXDBKEQIU-MRVPVSSYSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@H]1CCO 2036712 171003890 /nfs/dbraw/zinc/00/38/90/171003890.db2.gz OVMRRCXDBKEQIU-QMMMGPOBSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO COC(=O)[C@@H]1CCC[N@@H+](C)C1 2039311 171003994 /nfs/dbraw/zinc/00/39/94/171003994.db2.gz LLEOWWWENNCINW-SSDOTTSWSA-N 1 1 157.213 0.501 50 0 biogenic,investigational ACAAMO COC(=O)[C@H]1CCC[N@@H+](C)C1 2039313 171004162 /nfs/dbraw/zinc/00/41/62/171004162.db2.gz LLEOWWWENNCINW-ZETCQYMHSA-N 1 1 157.213 0.501 50 0 investigational ACAAMO CC[NH+](CC)CC(=O)OC 2522794 171006225 /nfs/dbraw/zinc/00/62/25/171006225.db2.gz YLZLHVWLTRZOJH-UHFFFAOYSA-N 1 1 145.202 0.501 50 0 in-vitro ACAAMO C[N@H+]1CCCC(=O)CC1 2581126 171007867 /nfs/dbraw/zinc/00/78/67/171007867.db2.gz HXCVYSRFFKEHEA-UHFFFAOYSA-N 1 1 127.187 0.671 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@@H]1CC[NH3+] 8375751 171021423 /nfs/dbraw/zinc/02/14/23/171021423.db2.gz JHOVBQVZOXCQSI-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@H]1CC[NH3+] 8375760 171021549 /nfs/dbraw/zinc/02/15/49/171021549.db2.gz JHOVBQVZOXCQSI-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CN(C)c1ccc(C(=O)C[NH3+])cc1 12471335 171025761 /nfs/dbraw/zinc/02/57/61/171025761.db2.gz FOGZYFNWMAZPMD-UHFFFAOYSA-N 1 1 178.235 0.894 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@H]1C(CO)CO 15781495 171029818 /nfs/dbraw/zinc/02/98/18/171029818.db2.gz ATUHEEACQURBNU-VIFPVBQESA-N 1 1 173.256 0.072 50 0 ACAAMO C[N@H+]1CCCC[C@@H]1C(CO)CO 15781493 171029900 /nfs/dbraw/zinc/02/99/00/171029900.db2.gz ATUHEEACQURBNU-SECBINFHSA-N 1 1 173.256 0.072 50 0 ACAAMO CC(=O)OCCC[NH+]1CCOCC1 19338379 171033504 /nfs/dbraw/zinc/03/35/04/171033504.db2.gz TYCZAWDPURGQQJ-UHFFFAOYSA-N 1 1 187.239 0.272 50 0 ACAAMO NCC1([NH3+])CCCCC1 19369235 171034075 /nfs/dbraw/zinc/03/40/75/171034075.db2.gz QCDMSCUTQSXHCU-UHFFFAOYSA-N 1 1 128.219 0.607 50 0 in-vitro ACAAMO CN1CCN(C2CC[NH+](C)CC2)CC1 19637149 171035276 /nfs/dbraw/zinc/03/52/76/171035276.db2.gz RFWAAXNLVJXFQD-UHFFFAOYSA-N 1 1 197.326 0.328 50 0 ACAAMO c1cc(C2CC[NH2+]CC2)[nH]n1 19685960 171035312 /nfs/dbraw/zinc/03/53/12/171035312.db2.gz FCKYIGWJVZIPLK-UHFFFAOYSA-N 1 1 151.213 0.877 50 0 ACAAMO CC(C)(O)CC[NH+]1CCNCC1 19722038 171035442 /nfs/dbraw/zinc/03/54/42/171035442.db2.gz YBASWHAGJKHKTN-UHFFFAOYSA-N 1 1 172.272 0.053 50 0 ACAAMO CCN(CC)[C@@H](C)C[NH3+] 19735765 171035885 /nfs/dbraw/zinc/03/58/85/171035885.db2.gz JNFLSJUGIONDMJ-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO C[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 19832851 171036171 /nfs/dbraw/zinc/03/61/71/171036171.db2.gz JOQKJDWQPSADLW-UHFFFAOYSA-N 1 1 186.255 0.097 50 0 ACAAMO C[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 19832851 171036172 /nfs/dbraw/zinc/03/61/72/171036172.db2.gz JOQKJDWQPSADLW-UHFFFAOYSA-N 1 1 186.255 0.097 50 0 ACAAMO [NH3+]C1CCN(C[C@@H]2CCCO2)CC1 20160250 171037518 /nfs/dbraw/zinc/03/75/18/171037518.db2.gz RQYQSHZQUNROJX-JTQLQIEISA-N 1 1 184.283 0.589 50 0 ACAAMO [NH3+]C1CCN(C[C@H]2CCCO2)CC1 20160252 171038116 /nfs/dbraw/zinc/03/81/16/171038116.db2.gz RQYQSHZQUNROJX-SNVBAGLBSA-N 1 1 184.283 0.589 50 0 ACAAMO c1[nH]nc2c1C[NH2+]C2 20441133 171039499 /nfs/dbraw/zinc/03/94/99/171039499.db2.gz CVRWHBCQJCUBFE-UHFFFAOYSA-N 1 1 109.132 0.013 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@@H](O)CC1 21298462 171040349 /nfs/dbraw/zinc/04/03/49/171040349.db2.gz GLXOHWLGZMRLRM-SSDOTTSWSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO C[NH+]1CCC([NH2+]CCC(=O)[O-])CC1 20528858 171040497 /nfs/dbraw/zinc/04/04/97/171040497.db2.gz RTMGYBJQLQUCJF-UHFFFAOYSA-N 1 1 186.255 0.145 50 0 ACAAMO CNc1ccc(N)c[nH+]1 22141615 171042020 /nfs/dbraw/zinc/04/20/20/171042020.db2.gz XKEDDRXJMAVORI-UHFFFAOYSA-N 1 1 123.159 0.706 50 0 in-vitro ACAAMO c1c[nH+]c2c(c1)NCCN2 24190261 171042503 /nfs/dbraw/zinc/04/25/03/171042503.db2.gz HOFCYSNYAFJTSI-UHFFFAOYSA-N 1 1 135.170 0.919 50 0 in-vitro ACAAMO C1C[N@H+]2[C@H](CN1)[C@H]1CC[C@@H]2C1 22921700 171042619 /nfs/dbraw/zinc/04/26/19/171042619.db2.gz FXDOBDLENLQBBY-DJLDLDEBSA-N 1 1 152.241 0.443 50 0 ACAAMO C1C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@@H]2CN1 22921696 171043159 /nfs/dbraw/zinc/04/31/59/171043159.db2.gz FXDOBDLENLQBBY-YIZRAAEISA-N 1 1 152.241 0.443 50 0 ACAAMO C1CNC[C@@H]2CCC[N@H+]2C1 23093924 171043237 /nfs/dbraw/zinc/04/32/37/171043237.db2.gz QBNOLQLKVNGFCG-QMMMGPOBSA-N 1 1 140.230 0.444 50 0 in-vitro ACAAMO C1CNC[C@@H]2CCC[N@@H+]2C1 23093924 171043239 /nfs/dbraw/zinc/04/32/39/171043239.db2.gz QBNOLQLKVNGFCG-QMMMGPOBSA-N 1 1 140.230 0.444 50 0 in-vitro ACAAMO [NH3+]Cc1ccc2[nH]nnc2c1 32600326 171050432 /nfs/dbraw/zinc/05/04/32/171050432.db2.gz HFJXZTKRHRFTPK-UHFFFAOYSA-N 1 1 148.169 0.417 50 0 in-vitro ACAAMO [NH3+]Cc1ccc2nn[nH]c2c1 32600326 171050438 /nfs/dbraw/zinc/05/04/38/171050438.db2.gz HFJXZTKRHRFTPK-UHFFFAOYSA-N 1 1 148.169 0.417 50 0 in-vitro ACAAMO C[N@@H+]1CCCC[C@H]1CN 32445551 171050454 /nfs/dbraw/zinc/05/04/54/171050454.db2.gz PPUMJZMVFCLQBI-ZETCQYMHSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@H]1CN 32445551 171050455 /nfs/dbraw/zinc/05/04/55/171050455.db2.gz PPUMJZMVFCLQBI-ZETCQYMHSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C[N@@H+]1CCCC[C@@H]1CN 32445550 171050536 /nfs/dbraw/zinc/05/05/36/171050536.db2.gz PPUMJZMVFCLQBI-SSDOTTSWSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@@H]1CN 32445550 171050537 /nfs/dbraw/zinc/05/05/37/171050537.db2.gz PPUMJZMVFCLQBI-SSDOTTSWSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CCN(CC)CC1([NH3+])CC1 32445533 171050619 /nfs/dbraw/zinc/05/06/19/171050619.db2.gz AFLJYQVZKSWYLC-UHFFFAOYSA-N 1 1 142.246 0.820 50 0 ACAAMO COC(=O)[C@@H]1CC[N@@H+](C)C1 34085380 171053007 /nfs/dbraw/zinc/05/30/07/171053007.db2.gz ZWWOGQHZGYEOFM-ZCFIWIBFSA-N 1 1 143.186 0.111 50 0 ACAAMO COC(=O)[C@H]1CC[N@@H+](C)C1 34085378 171053035 /nfs/dbraw/zinc/05/30/35/171053035.db2.gz ZWWOGQHZGYEOFM-LURJTMIESA-N 1 1 143.186 0.111 50 0 ACAAMO COC1=CCC[N@@H+](C)C1 34227156 171053690 /nfs/dbraw/zinc/05/36/90/171053690.db2.gz ZVLYIVWDEAHCOQ-UHFFFAOYSA-N 1 1 127.187 0.852 50 0 in-vitro ACAAMO C1C[C@H]2C[N@H+](C1)CCN2 34477124 171055842 /nfs/dbraw/zinc/05/58/42/171055842.db2.gz NYPUYWSDUIENGC-ZETCQYMHSA-N 1 1 126.203 0.054 50 0 ACAAMO C1C[C@H]2C[N@@H+](C1)CCN2 34477124 171055844 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C1CNCC[N@@H+](C2CCOCC2)C1 38087053 171068592 /nfs/dbraw/zinc/06/85/92/171068592.db2.gz PHUQGIXTOHOPQJ-UHFFFAOYSA-N 1 1 184.283 0.461 50 0 in-vitro ACAAMO C1C[NH2+]CCN(C2CCOCC2)C1 38087053 171068593 /nfs/dbraw/zinc/06/85/93/171068593.db2.gz PHUQGIXTOHOPQJ-UHFFFAOYSA-N 1 1 184.283 0.461 50 0 in-vitro ACAAMO CN(C)c1nc(N)cc[nH+]1 39053772 171071826 /nfs/dbraw/zinc/07/18/26/171071826.db2.gz HFILKPNHATWAFS-UHFFFAOYSA-N 1 1 138.174 0.125 50 0 in-vitro ACAAMO NCC12CCC[NH+]1CCC2 39147410 171076866 /nfs/dbraw/zinc/07/68/66/171076866.db2.gz YSMMVKXAJZFXHK-UHFFFAOYSA-N 1 1 140.230 0.574 50 0 in-vitro ACAAMO CC(C)(C)[C@@H](N)C[NH3+] 39211935 171077560 /nfs/dbraw/zinc/07/75/60/171077560.db2.gz KKMKAWJAGGJWTJ-YFKPBYRVSA-N 1 1 116.208 0.319 50 0 in-vitro ACAAMO C1C[NH2+]CC[N@@H+](C2CC2)C1 39947652 171079316 /nfs/dbraw/zinc/07/93/16/171079316.db2.gz KZZRCKSXKSHUSD-UHFFFAOYSA-N 1 1 140.230 0.444 50 0 in-vitro ACAAMO O=C1N=NC([C@@H]2CCC[NH2+]C2)O1 40823030 171081631 /nfs/dbraw/zinc/08/16/31/171081631.db2.gz NTFXRFLZPDTOPZ-RXMQYKEDSA-N 1 1 169.184 0.242 50 0 in-vitro ACAAMO O=C1N=NC([C@H]2CCC[NH2+]C2)O1 40823027 171081660 /nfs/dbraw/zinc/08/16/60/171081660.db2.gz NTFXRFLZPDTOPZ-YFKPBYRVSA-N 1 1 169.184 0.242 50 0 in-vitro ACAAMO C1C[NH2+]C[C@@H](CCN2CCOCC2)C1 42783345 171087013 /nfs/dbraw/zinc/08/70/13/171087013.db2.gz BYSFAURTJRJEHE-LLVKDONJSA-N 1 1 198.310 0.708 50 0 ACAAMO C1CNC[C@@H]([NH2+]C2CC2)C1 43323581 171087544 /nfs/dbraw/zinc/08/75/44/171087544.db2.gz ZMIGJHHQCUHNJJ-QMMMGPOBSA-N 1 1 140.230 0.490 50 0 ACAAMO OCC1(C[NH+]2CCOCC2)CC1 49805035 171095125 /nfs/dbraw/zinc/09/51/25/171095125.db2.gz ZANJSIVYKRDCSS-UHFFFAOYSA-N 1 1 171.240 0.091 50 0 in-vitro ACAAMO COc1ccccc1OC(=O)C[NH3+] 49805678 171095164 /nfs/dbraw/zinc/09/51/64/171095164.db2.gz UGNJYFMADWVIOT-UHFFFAOYSA-N 1 1 181.191 0.559 50 0 ACAAMO c1cnc2c(n1)C[NH2+]C2 51971752 171097687 /nfs/dbraw/zinc/09/76/87/171097687.db2.gz GSIQLKOFXMCKNK-UHFFFAOYSA-N 1 1 121.143 0.080 50 0 in-vitro ACAAMO COc1ccc(OC)c(C(=O)C[NH3+])c1 54967308 171099366 /nfs/dbraw/zinc/09/93/66/171099366.db2.gz IQFIJLKOVJRFBW-UHFFFAOYSA-N 1 1 195.218 0.845 50 0 in-vitro ACAAMO C1C[NH2+]C[C@@H](CN2CCCC2)OC1 54956994 171099432 /nfs/dbraw/zinc/09/94/32/171099432.db2.gz NFHDKDQZUBECJA-JTQLQIEISA-N 1 1 184.283 0.461 50 0 in-vitro ACAAMO OC1(C[NH+]2CCNCC2)CCCCC1 67349641 171105064 /nfs/dbraw/zinc/10/50/64/171105064.db2.gz MMPLEHAWGGNIRY-UHFFFAOYSA-N 1 1 198.310 0.587 50 0 ACAAMO [NH3+]C1CCN([C@@H]2CCOC2)CC1 69606352 171105699 /nfs/dbraw/zinc/10/56/99/171105699.db2.gz QCRWDQWDIVIQCF-SECBINFHSA-N 1 1 170.256 0.198 50 0 in-vitro ACAAMO [NH3+]C1CCN([C@H]2CCOC2)CC1 69606355 171105962 /nfs/dbraw/zinc/10/59/62/171105962.db2.gz QCRWDQWDIVIQCF-VIFPVBQESA-N 1 1 170.256 0.198 50 0 in-vitro ACAAMO [NH3+]CC1CCN(C2COC2)CC1 71791891 171108654 /nfs/dbraw/zinc/10/86/54/171108654.db2.gz GIZLTNAJGHPXLE-UHFFFAOYSA-N 1 1 170.256 0.056 50 0 ACAAMO c1cncc(C[NH2+]C2COC2)c1 76594846 171118318 /nfs/dbraw/zinc/11/83/18/171118318.db2.gz SDXWHBVRHGCNJY-UHFFFAOYSA-N 1 1 164.208 0.570 50 0 ACAAMO NCC1([NH+]2CCCC2)CCC1 82632047 171123262 /nfs/dbraw/zinc/12/32/62/171123262.db2.gz DDZQQNIMNDEJIO-UHFFFAOYSA-N 1 1 154.257 0.964 50 0 ACAAMO [NH3+]C1(c2nc[nH]n2)CCC1 88049518 171133206 /nfs/dbraw/zinc/13/32/06/171133206.db2.gz BRNZLQVEWVJDIY-UHFFFAOYSA-N 1 1 138.174 0.143 50 0 in-vitro ACAAMO COC(=O)[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 95829207 171140006 /nfs/dbraw/zinc/14/00/06/171140006.db2.gz OONYTYGHRMYZMS-RKDXNWHRSA-N 1 1 199.250 0.413 50 0 in-vitro ACAAMO COC(=O)[C@H]1C[N@H+]2CCCC[C@@H]2CO1 95829207 171140007 /nfs/dbraw/zinc/14/00/07/171140007.db2.gz OONYTYGHRMYZMS-RKDXNWHRSA-N 1 1 199.250 0.413 50 0 in-vitro ACAAMO COc1ccccc1C(=O)C[NH3+] 95875840 171140040 /nfs/dbraw/zinc/14/00/40/171140040.db2.gz ZXGZVVIXXFTIIG-UHFFFAOYSA-N 1 1 165.192 0.837 50 0 ACAAMO F[C@@H]1CNCC[C@H]1[NH+]1CCC1 98095803 171142381 /nfs/dbraw/zinc/14/23/81/171142381.db2.gz JYRRFTJTUNIUCA-HTQZYQBOSA-N 1 1 158.220 0.392 50 0 ACAAMO [NH3+]CC(=O)OC1CCCCC1 97922846 171142444 /nfs/dbraw/zinc/14/24/44/171142444.db2.gz MFXJVHXNGXYJGH-UHFFFAOYSA-N 1 1 157.213 0.821 50 0 in-vitro ACAAMO COC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 98096564 171142573 /nfs/dbraw/zinc/14/25/73/171142573.db2.gz JJBOTQBQXSSOAE-MRVPVSSYSA-N 1 1 187.239 0.269 50 0 in-vitro ACAAMO COC(=O)[C@H]1C[N@H+](C(C)C)CCO1 98096564 171142575 /nfs/dbraw/zinc/14/25/75/171142575.db2.gz JJBOTQBQXSSOAE-MRVPVSSYSA-N 1 1 187.239 0.269 50 0 in-vitro ACAAMO F[C@@H]1CNCC[C@@H]1[NH+]1CCC1 97757490 171142604 /nfs/dbraw/zinc/14/26/04/171142604.db2.gz JYRRFTJTUNIUCA-SFYZADRCSA-N 1 1 158.220 0.392 50 0 ACAAMO Nc1ccc(N2CCC2)[nH+]c1 98213462 171143209 /nfs/dbraw/zinc/14/32/09/171143209.db2.gz XOJOZVHJEPMZQT-UHFFFAOYSA-N 1 1 149.197 0.874 50 0 ACAAMO [NH3+]Cc1ccc2cncn2c1 107157250 171149812 /nfs/dbraw/zinc/14/98/12/171149812.db2.gz XDOULCALQAMPSC-UHFFFAOYSA-N 1 1 147.181 0.793 50 0 in-vitro ACAAMO C[N@H+]1CCOC2(CC[NH2+]CC2)C1 82400807 171170916 /nfs/dbraw/zinc/17/09/16/171170916.db2.gz MZNCLIDEUSKTII-UHFFFAOYSA-N 1 1 170.256 0.071 50 0 in-vitro ACAAMO CN1CCOC2(CC[NH2+]CC2)C1 82400807 171170919 /nfs/dbraw/zinc/17/09/19/171170919.db2.gz MZNCLIDEUSKTII-UHFFFAOYSA-N 1 1 170.256 0.071 50 0 in-vitro ACAAMO c1n[nH]c2c1C[NH2+]CCC2 82410741 171172249 /nfs/dbraw/zinc/17/22/49/171172249.db2.gz AIUMEPRKJIXLOS-UHFFFAOYSA-N 1 1 137.186 0.446 50 0 ACAAMO [NH3+]CC(=O)c1cncs1 82409691 171172404 /nfs/dbraw/zinc/17/24/04/171172404.db2.gz ZDJDPMQFXNCCQZ-UHFFFAOYSA-N 1 1 142.183 0.285 50 0 ACAAMO C[C@@H]1CNC(=O)C[N@H+](C2CC2)C1 238854214 171186633 /nfs/dbraw/zinc/18/66/33/171186633.db2.gz MXEBOZMZFMJXDJ-SSDOTTSWSA-N 1 1 168.240 0.217 50 0 in-vitro ACAAMO C[C@H]1CNC(=O)C[N@H+](C2CC2)C1 238854215 171186748 /nfs/dbraw/zinc/18/67/48/171186748.db2.gz MXEBOZMZFMJXDJ-ZETCQYMHSA-N 1 1 168.240 0.217 50 0 in-vitro ACAAMO CC1(C)COCC[N@H+]1CCO 42462720 171189256 /nfs/dbraw/zinc/18/92/56/171189256.db2.gz YTRWCRKQXOMASA-UHFFFAOYSA-N 1 1 159.229 0.090 50 0 ACAAMO COC(=O)C1=C(O)CC[N@@H+](C2CC2)C1 49779884 171192345 /nfs/dbraw/zinc/19/23/45/171192345.db2.gz IQUYUIVHPZAXHF-QMMMGPOBSA-N 1 1 197.234 0.213 50 0 ACAAMO COC(=O)C1=C(O)CC[N@H+](C2CC2)C1 49779884 171192346 /nfs/dbraw/zinc/19/23/46/171192346.db2.gz IQUYUIVHPZAXHF-QMMMGPOBSA-N 1 1 197.234 0.213 50 0 ACAAMO CC(C)CC(=O)N1CC[NH+](C)CC1 20191787 171213231 /nfs/dbraw/zinc/21/32/31/171213231.db2.gz NGZAKKLYXPQJTQ-UHFFFAOYSA-N 1 1 184.283 0.807 50 0 ACAAMO C1C[NH2+]C[C@@H](NC2CCOCC2)C1 43325669 171217856 /nfs/dbraw/zinc/21/78/56/171217856.db2.gz AAKSFRUPVLIFJD-JTQLQIEISA-N 1 1 184.283 0.507 50 0 ACAAMO CC(=O)Nc1cn(C(C)C)n[o+]1 22861429 171213555 /nfs/dbraw/zinc/21/35/55/171213555.db2.gz FCCKOSKYTIDTLE-UHFFFAOYSA-O 1 1 170.192 0.501 50 0 in-vitro ACAAMO C[C@H]1[C@H](C)[N@H+](C)CC[C@H]1O 169683737 344351286 /nfs/dbraw/zinc/35/12/86/344351286.db2.gz RKKHEISNQPMYEF-BIIVOSGPSA-N 1 1 143.230 0.707 50 0 ACAAMO [NH3+]C12CCCN(CCC1)C2 219174252 344420714 /nfs/dbraw/zinc/42/07/14/344420714.db2.gz JTTKVQILGZKXRW-UHFFFAOYSA-N 1 1 140.230 0.574 50 0 in-vitro ACAAMO NCC1([NH+]2CCCC2)CC1 236216355 344777790 /nfs/dbraw/zinc/77/77/90/344777790.db2.gz RUAMYRPWWFCRLH-UHFFFAOYSA-N 1 1 140.230 0.574 50 0 ACAAMO [NH3+]CC1(N2CCCC2)CC1 236216355 344777792 /nfs/dbraw/zinc/77/77/92/344777792.db2.gz RUAMYRPWWFCRLH-UHFFFAOYSA-N 1 1 140.230 0.574 50 0 ACAAMO C[C@@H]1CCCN(CC[NH3+])C1 32445537 351428820 /nfs/dbraw/zinc/42/88/20/351428820.db2.gz XGUMSCJZZRIGOO-MRVPVSSYSA-N 1 1 142.246 0.677 50 0 in-vitro ACAAMO C[C@@H]1C[N@@H+](CCCO)CCO1 35118637 351448068 /nfs/dbraw/zinc/44/80/68/351448068.db2.gz ULYPGBJCDDQWBE-MRVPVSSYSA-N 1 1 159.229 0.090 50 0 ACAAMO c1noc([C@@H]2CCCC[NH2+]2)n1 40454066 351507757 /nfs/dbraw/zinc/50/77/57/351507757.db2.gz MESIIFYBDRDBEH-LURJTMIESA-N 1 1 153.185 0.884 50 0 ACAAMO CCC[N@H+](CC(=O)NC)CC1CC1 48374204 409369485 /nfs/dbraw/zinc/36/94/85/409369485.db2.gz VYJQNETYDHYMGS-UHFFFAOYSA-N 1 1 184.283 0.854 50 0 ACAAMO N[C@H]1CCCCC[NH2+]C1 104641904 325617709 /nfs/dbraw/zinc/61/77/09/325617709.db2.gz ZRHHDWFTDGGETF-ZETCQYMHSA-N 1 1 128.219 0.477 50 0 in-vitro ACAAMO C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 158421 342929261 /nfs/dbraw/zinc/92/92/61/342929261.db2.gz CYHOMWAPJJPNMW-DHBOJHSNSA-N 1 1 141.214 0.604 50 0 biogenic,in-vitro ACAAMO C[C@H](CCN(C)C)[NH+](C)C 404466 342938695 /nfs/dbraw/zinc/93/86/95/342938695.db2.gz AXFVIWBTKYFOCY-MRVPVSSYSA-N 1 1 144.262 0.888 50 0 ACAAMO CCn1nnc(C2=CCC[N@@H+](C)C2)n1 6302 342923781 /nfs/dbraw/zinc/92/37/81/342923781.db2.gz RNMOMKCRCIRYCZ-UHFFFAOYSA-N 1 1 193.254 0.412 50 0 investigational ACAAMO C[NH+]1CCN(c2nccs2)CC1 22036 342924057 /nfs/dbraw/zinc/92/40/57/342924057.db2.gz OSPDKPFPBGJRTD-UHFFFAOYSA-N 1 1 183.280 0.895 50 0 in-vitro ACAAMO Cc1ccc(N)[nH+]c1 164623 342930416 /nfs/dbraw/zinc/93/04/16/342930416.db2.gz CMBSSVKZOPZBKW-UHFFFAOYSA-N 1 1 108.144 0.972 50 0 in-vitro ACAAMO C[NH+](C)CC(=O)Nc1ccccn1 349373 342934705 /nfs/dbraw/zinc/93/47/05/342934705.db2.gz VSYOWXLVAJPMMV-UHFFFAOYSA-N 1 1 179.223 0.582 50 0 ACAAMO C[N@H+]1CCCC[C@@H]1CO 388346 342935517 /nfs/dbraw/zinc/93/55/17/342935517.db2.gz HXXJMMLIEYAFOZ-SSDOTTSWSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO CN(C)CCC[NH+](C)C 388176 342935574 /nfs/dbraw/zinc/93/55/74/342935574.db2.gz DMQSHEKGGUOYJS-UHFFFAOYSA-N 1 1 130.235 0.500 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@@H]1CCO 388248 342935605 /nfs/dbraw/zinc/93/56/05/342935605.db2.gz FYVMBPXFPFAECB-SSDOTTSWSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO C[N@H+]1CCCC[C@H]1CO 388344 342935631 /nfs/dbraw/zinc/93/56/31/342935631.db2.gz HXXJMMLIEYAFOZ-ZETCQYMHSA-N 1 1 129.203 0.463 50 0 in-vitro ACAAMO Cc1ccc[nH+]c1N 402702 342938331 /nfs/dbraw/zinc/93/83/31/342938331.db2.gz RGDQRXPEZUNWHX-UHFFFAOYSA-N 1 1 108.144 0.972 50 0 in-vitro ACAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CO 405285 342938862 /nfs/dbraw/zinc/93/88/62/342938862.db2.gz HGPHYOVGIFFHJB-NSHDSACASA-N 1 1 195.262 0.472 50 0 in-vitro ACAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CO 405287 342938971 /nfs/dbraw/zinc/93/89/71/342938971.db2.gz HGPHYOVGIFFHJB-LLVKDONJSA-N 1 1 195.262 0.472 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@H](CO)C1 507888 342940458 /nfs/dbraw/zinc/94/04/58/342940458.db2.gz UGXQXVDTGJCQHR-ZETCQYMHSA-N 1 1 129.203 0.321 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@@H](CO)C1 507886 342940500 /nfs/dbraw/zinc/94/05/00/342940500.db2.gz UGXQXVDTGJCQHR-SSDOTTSWSA-N 1 1 129.203 0.321 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+](C)[C@@H](C)CC1=O 1055289 342943242 /nfs/dbraw/zinc/94/32/42/342943242.db2.gz VQHHMWWQNKUPKH-BQBZGAKWSA-N 1 1 141.214 0.916 50 0 in-vitro ACAAMO C[C@H]1C[C@@H](O)[C@H](C)[N@@H+](C)C1 1296167 342944000 /nfs/dbraw/zinc/94/40/00/342944000.db2.gz FYSXYJLZTKYTDU-BIIVOSGPSA-N 1 1 143.230 0.707 50 0 ACAAMO Cc1cc(C[C@@H](C)[NH3+])n[nH]1 1304674 342944345 /nfs/dbraw/zinc/94/43/45/342944345.db2.gz OHGJHBXVKFERPR-RXMQYKEDSA-N 1 1 139.202 0.608 50 0 in-vitro ACAAMO Cc1cc(C[C@H](C)[NH3+])n[nH]1 1304675 342944488 /nfs/dbraw/zinc/94/44/88/342944488.db2.gz OHGJHBXVKFERPR-YFKPBYRVSA-N 1 1 139.202 0.608 50 0 in-vitro ACAAMO 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0.965 50 0 in-vitro ACAAMO CC(C)[N@H+]1CC[C@H](CO)C1 11892475 343026500 /nfs/dbraw/zinc/02/65/00/343026500.db2.gz AAHDGWGNYJVYMG-QMMMGPOBSA-N 1 1 143.230 0.709 50 0 in-vitro ACAAMO CCC[N@H+]1CC[C@@H](CO)C1 11892464 343026594 /nfs/dbraw/zinc/02/65/94/343026594.db2.gz RJAJCQKKDKQAEN-MRVPVSSYSA-N 1 1 143.230 0.711 50 0 in-vitro ACAAMO CC(C)[N@H+]1CC[C@@H](CO)C1 11892471 343026735 /nfs/dbraw/zinc/02/67/35/343026735.db2.gz AAHDGWGNYJVYMG-MRVPVSSYSA-N 1 1 143.230 0.709 50 0 in-vitro ACAAMO CCC[N@H+]1CC[C@H](CO)C1 11892468 343026855 /nfs/dbraw/zinc/02/68/55/343026855.db2.gz RJAJCQKKDKQAEN-QMMMGPOBSA-N 1 1 143.230 0.711 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+](CCO)C[C@@H](C)O1 12341582 343028708 /nfs/dbraw/zinc/02/87/08/343028708.db2.gz VAFPVCCEXLHAGE-OCAPTIKFSA-N 1 1 159.229 0.088 50 0 in-vitro ACAAMO C[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 12359923 343029220 /nfs/dbraw/zinc/02/92/20/343029220.db2.gz QQXLDOJGLXJCSE-KNVOCYPGSA-N 1 1 139.198 0.812 50 0 biogenic,in-vivo ACAAMO C[N@H+]1CCC[C@@](C)(CO)C1 12384493 343029621 /nfs/dbraw/zinc/02/96/21/343029621.db2.gz LIPHTBOSXYCXFC-MRVPVSSYSA-N 1 1 143.230 0.711 50 0 in-vitro ACAAMO C[N@H+](CC(N)=O)Cc1ccc(F)cc1 12989241 343033064 /nfs/dbraw/zinc/03/30/64/343033064.db2.gz FTFHXHNXVAGHNM-UHFFFAOYSA-N 1 1 196.225 0.743 50 0 ACAAMO C[N@@H+](CC(N)=O)Cc1ccc(F)cc1 12989241 343033066 /nfs/dbraw/zinc/03/30/66/343033066.db2.gz FTFHXHNXVAGHNM-UHFFFAOYSA-N 1 1 196.225 0.743 50 0 ACAAMO Cc1[nH+]cc(CO)n1C 13281802 343033632 /nfs/dbraw/zinc/03/36/32/343033632.db2.gz CISHHWIYBOSLHY-UHFFFAOYSA-N 1 1 126.159 0.221 50 0 ACAAMO CCCC12CNCC(C)(C[NH2+]C1)[C@@H]2O 13722495 343036750 /nfs/dbraw/zinc/03/67/50/343036750.db2.gz MMZAFWCXLNNEHM-WHXUTIOJSA-N 1 1 198.310 0.347 50 0 ACAAMO CCC12CNCC(CC)(C[NH2+]C1)C2O 13682240 343036859 /nfs/dbraw/zinc/03/68/59/343036859.db2.gz VYLZRXZRIFYRDM-UHFFFAOYSA-N 1 1 198.310 0.347 50 0 ACAAMO CCCC12CNCC(C)(C[NH2+]C1)[C@H]2O 13722498 343036937 /nfs/dbraw/zinc/03/69/37/343036937.db2.gz MMZAFWCXLNNEHM-KPPDAEKUSA-N 1 1 198.310 0.347 50 0 ACAAMO C[C@H]1C[C@@H](C)C[N@@H+](CC(N)=O)C1 14194605 343038229 /nfs/dbraw/zinc/03/82/29/343038229.db2.gz NHJNWHCUXALULB-OCAPTIKFSA-N 1 1 170.256 0.450 50 0 ACAAMO C[C@H]1CCC[N@@H+](CC(N)=O)C1 14193747 343038323 /nfs/dbraw/zinc/03/83/23/343038323.db2.gz VDUDAWJCIMSEDT-ZETCQYMHSA-N 1 1 156.229 0.204 50 0 in-vitro ACAAMO CCc1nc(C[NH3+])no1 14628920 343039379 /nfs/dbraw/zinc/03/93/79/343039379.db2.gz SJRULIJIBRDNGB-UHFFFAOYSA-N 1 1 127.147 0.091 50 0 in-vitro ACAAMO CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 14629094 343039796 /nfs/dbraw/zinc/03/97/96/343039796.db2.gz AGVVQOUIPIRGNQ-JVHMLUBASA-N 1 1 154.257 0.831 50 0 in-vitro ACAAMO C[N@H+]1CC[C@H](O)[C@@H]2CCC[C@@H]21 14943775 343040218 /nfs/dbraw/zinc/04/02/18/343040218.db2.gz SYOFKZCZCYMACF-VGMNWLOBSA-N 1 1 155.241 0.852 50 0 ACAAMO CN(C)C[C@@H]1CC[NH2+]C1 15019559 343041395 /nfs/dbraw/zinc/04/13/95/343041395.db2.gz DDROADVTQNAKPF-SSDOTTSWSA-N 1 1 128.219 0.158 50 0 in-vitro ACAAMO C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 16957853 343045081 /nfs/dbraw/zinc/04/50/81/343045081.db2.gz JQEVYGSMSXMWCB-VIFPVBQESA-N 1 1 196.294 0.997 50 0 ACAAMO CN(C)Cc1ccc(C[NH3+])o1 16942617 343045268 /nfs/dbraw/zinc/04/52/68/343045268.db2.gz GCKKYPRRZHWOET-UHFFFAOYSA-N 1 1 154.213 0.800 50 0 in-vitro ACAAMO C[N@H+]1CCn2ccnc2C1 18558702 343048833 /nfs/dbraw/zinc/04/88/33/343048833.db2.gz CFAPHOLBVIDQAZ-UHFFFAOYSA-N 1 1 137.186 0.329 50 0 ACAAMO CC(C)c1noc(C[NH3+])n1 19088035 343049280 /nfs/dbraw/zinc/04/92/80/343049280.db2.gz PEPBWGGISBCQDW-UHFFFAOYSA-N 1 1 141.174 0.652 50 0 in-vitro ACAAMO CCc1noc(C[NH3+])n1 19088028 343049308 /nfs/dbraw/zinc/04/93/08/343049308.db2.gz FDWYISIKXAASEG-UHFFFAOYSA-N 1 1 127.147 0.091 50 0 ACAAMO CCc1noc([C@H](C)[NH3+])n1 19089562 343049635 /nfs/dbraw/zinc/04/96/35/343049635.db2.gz OVOVGJQTNKAODY-BYPYZUCNSA-N 1 1 141.174 0.652 50 0 in-vitro ACAAMO CCc1nnc(C[NH2+]C)o1 19089824 343049731 /nfs/dbraw/zinc/04/97/31/343049731.db2.gz SSJSEXJMZZHGLB-UHFFFAOYSA-N 1 1 141.174 0.351 50 0 in-vitro ACAAMO C[NH2+]CCCCN1CCOCC1 19089829 343049765 /nfs/dbraw/zinc/04/97/65/343049765.db2.gz JCDQWSPFGGIJDO-UHFFFAOYSA-N 1 1 172.272 0.318 50 0 in-vitro ACAAMO CCCCN1CC[NH2+]CC1=O 19089421 343049818 /nfs/dbraw/zinc/04/98/18/343049818.db2.gz JUDAJBQHQJFGTH-UHFFFAOYSA-N 1 1 156.229 0.218 50 0 in-vitro ACAAMO CN1C(=O)[C@H]([NH3+])c2ccccc21 19089364 343049859 /nfs/dbraw/zinc/04/98/59/343049859.db2.gz NZWLKZYQAQNZJK-MRVPVSSYSA-N 1 1 162.192 0.663 50 0 in-vitro ACAAMO CCc1noc([C@@H](C)[NH3+])n1 19089558 343049885 /nfs/dbraw/zinc/04/98/85/343049885.db2.gz OVOVGJQTNKAODY-SCSAIBSYSA-N 1 1 141.174 0.652 50 0 in-vitro ACAAMO Cc1c[nH+]ccc1NN 19089984 343049890 /nfs/dbraw/zinc/04/98/90/343049890.db2.gz ZRQKPOSFUIQAPH-UHFFFAOYSA-N 1 1 123.159 0.676 50 0 in-vitro ACAAMO CCc1noc(C[NH2+]C)n1 19089546 343049928 /nfs/dbraw/zinc/04/99/28/343049928.db2.gz WBHVOQXHRCGQTP-UHFFFAOYSA-N 1 1 141.174 0.351 50 0 in-vitro ACAAMO CCCC[C@@H]1[NH2+]CCN(C)C1=O 19090545 343050125 /nfs/dbraw/zinc/05/01/25/343050125.db2.gz GRWAGOYADKISGI-QMMMGPOBSA-N 1 1 170.256 0.607 50 0 in-vitro ACAAMO CC(C)Cc1nc(C[NH3+])no1 19090772 343050133 /nfs/dbraw/zinc/05/01/33/343050133.db2.gz UOJIATXXMLNFBL-UHFFFAOYSA-N 1 1 155.201 0.727 50 0 in-vitro ACAAMO Cc1cc(NN)cc[nH+]1 19090968 343050177 /nfs/dbraw/zinc/05/01/77/343050177.db2.gz JVIAKWPMXIESGV-UHFFFAOYSA-N 1 1 123.159 0.676 50 0 in-vitro ACAAMO CCCC[C@H]1[NH2+]CCN(C)C1=O 19090548 343050314 /nfs/dbraw/zinc/05/03/14/343050314.db2.gz GRWAGOYADKISGI-MRVPVSSYSA-N 1 1 170.256 0.607 50 0 in-vitro ACAAMO C[N@@H+](CCO)Cc1cccc(N)c1 19093282 343051205 /nfs/dbraw/zinc/05/12/05/343051205.db2.gz DGYKFZLLFICWRR-UHFFFAOYSA-N 1 1 180.251 0.693 50 0 ACAAMO CN(C)CC[NH2+]Cc1ccco1 19255317 343052054 /nfs/dbraw/zinc/05/20/54/343052054.db2.gz FSUKHKIOJCSGHL-UHFFFAOYSA-N 1 1 168.240 0.931 50 0 in-vitro ACAAMO C[C@H]1CC[C@H](NN2CC[NH+](C)CC2)C1 19169841 343052080 /nfs/dbraw/zinc/05/20/80/343052080.db2.gz RLNMTOWGZNQNQT-QWRGUYRKSA-N 1 1 197.326 0.927 50 0 ACAAMO CCC[NH+]1CCNCC1 19230198 343052169 /nfs/dbraw/zinc/05/21/69/343052169.db2.gz QLEIDMAURCRVCX-UHFFFAOYSA-N 1 1 128.219 0.302 50 0 in-vitro ACAAMO CN(C)C[NH+](C)C 19230186 343052211 /nfs/dbraw/zinc/05/22/11/343052211.db2.gz VGIVLIHKENZQHQ-UHFFFAOYSA-N 1 1 102.181 0.067 50 0 ACAAMO CC[C@]1(C)C[C@@]2(CCO1)CNCC[NH2+]2 19363344 343053258 /nfs/dbraw/zinc/05/32/58/343053258.db2.gz ROHPOJQPAAMVIN-MNOVXSKESA-N 1 1 198.310 0.897 50 0 ACAAMO CC(C)[NH2+]CC(C)(C)N 19366921 343053371 /nfs/dbraw/zinc/05/33/71/343053371.db2.gz BVVNMQQFLWWRFT-UHFFFAOYSA-N 1 1 130.235 0.722 50 0 in-vitro ACAAMO C[C@H]1CN(C)CC[N@H+]1C 19366633 343053417 /nfs/dbraw/zinc/05/34/17/343053417.db2.gz UAIVFDJJMVMUGY-ZETCQYMHSA-N 1 1 128.219 0.252 50 0 ACAAMO C[C@H]1C[N@H+](C)CCN1C 19366633 343053422 /nfs/dbraw/zinc/05/34/22/343053422.db2.gz UAIVFDJJMVMUGY-ZETCQYMHSA-N 1 1 128.219 0.252 50 0 ACAAMO C[C@H]1C[N@@H+](C)CCN1C 19366633 343053424 /nfs/dbraw/zinc/05/34/24/343053424.db2.gz UAIVFDJJMVMUGY-ZETCQYMHSA-N 1 1 128.219 0.252 50 0 ACAAMO CCCC[NH+]1CCNCC1 19365428 343053429 /nfs/dbraw/zinc/05/34/29/343053429.db2.gz YKSVXVKIYYQWBB-UHFFFAOYSA-N 1 1 142.246 0.692 50 0 in-vitro ACAAMO CC[C@@]1(C)C[C@@]2(CCO1)CNCC[NH2+]2 19363343 343053467 /nfs/dbraw/zinc/05/34/67/343053467.db2.gz ROHPOJQPAAMVIN-QWRGUYRKSA-N 1 1 198.310 0.897 50 0 ACAAMO C[C@H](C[NH+](C)C)N(C)C 19366728 343053476 /nfs/dbraw/zinc/05/34/76/343053476.db2.gz JUXXCHAGQCBNTI-SSDOTTSWSA-N 1 1 130.235 0.498 50 0 ACAAMO CCCNCC[NH2+]CCC 19370331 343053562 /nfs/dbraw/zinc/05/35/62/343053562.db2.gz VATUKUMHBXZSCD-UHFFFAOYSA-N 1 1 144.262 0.986 50 0 ACAAMO CCC[N@@H+](CC)CCN 19371699 343053928 /nfs/dbraw/zinc/05/39/28/343053928.db2.gz MRFUPHOVJBIRCB-UHFFFAOYSA-N 1 1 130.235 0.677 50 0 in-vitro ACAAMO CCCN(CC)CC[NH3+] 19371699 343053929 /nfs/dbraw/zinc/05/39/29/343053929.db2.gz MRFUPHOVJBIRCB-UHFFFAOYSA-N 1 1 130.235 0.677 50 0 in-vitro ACAAMO CCCC[N@H+](C)CCN 19405756 343054387 /nfs/dbraw/zinc/05/43/87/343054387.db2.gz BCHCXIHUKWIMHC-UHFFFAOYSA-N 1 1 130.235 0.677 50 0 in-vitro ACAAMO CCCC[N@@H+](C)CCN 19405756 343054389 /nfs/dbraw/zinc/05/43/89/343054389.db2.gz BCHCXIHUKWIMHC-UHFFFAOYSA-N 1 1 130.235 0.677 50 0 in-vitro ACAAMO Cc1cc(C)c(C(N)=O)c(N)[nH+]1 19418789 343054816 /nfs/dbraw/zinc/05/48/16/343054816.db2.gz UYDGECQHZQNTQS-UHFFFAOYSA-N 1 1 165.196 0.380 50 0 ACAAMO CN1CCN(C[C@H]2CCC[NH2+]C2)CC1 19436157 343055047 /nfs/dbraw/zinc/05/50/47/343055047.db2.gz KHESUUBSLVIEBH-NSHDSACASA-N 1 1 197.326 0.233 50 0 in-vitro ACAAMO CN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 19436155 343055105 /nfs/dbraw/zinc/05/51/05/343055105.db2.gz KHESUUBSLVIEBH-LLVKDONJSA-N 1 1 197.326 0.233 50 0 in-vitro ACAAMO CCC(CC)[NH2+]CC(=O)OC 19885413 343063600 /nfs/dbraw/zinc/06/36/00/343063600.db2.gz IYFIBYCDLACHMV-UHFFFAOYSA-N 1 1 159.229 0.938 50 0 ACAAMO CC[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 19470487 343055795 /nfs/dbraw/zinc/05/57/95/343055795.db2.gz XUTIPTGGKMYYIK-BQBZGAKWSA-N 1 1 188.296 0.564 50 0 in-vitro ACAAMO CCCCNC(=O)[C@H]1CSC[NH2+]1 19478997 343056270 /nfs/dbraw/zinc/05/62/70/343056270.db2.gz YZOKOLRCMJYJFW-SSDOTTSWSA-N 1 1 188.296 0.565 50 0 in-vitro ACAAMO CCCCNC(=O)[C@@H]1CSC[NH2+]1 19478996 343056370 /nfs/dbraw/zinc/05/63/70/343056370.db2.gz YZOKOLRCMJYJFW-ZETCQYMHSA-N 1 1 188.296 0.565 50 0 in-vitro ACAAMO CC(C)N(C)C(=O)[C@@H]1CSC[NH2+]1 19508161 343056551 /nfs/dbraw/zinc/05/65/51/343056551.db2.gz SYJLGKRFPKRTMU-ZETCQYMHSA-N 1 1 188.296 0.516 50 0 in-vitro ACAAMO CC(C)N(C)C(=O)[C@H]1CSC[NH2+]1 19508163 343056704 /nfs/dbraw/zinc/05/67/04/343056704.db2.gz SYJLGKRFPKRTMU-SSDOTTSWSA-N 1 1 188.296 0.516 50 0 in-vitro ACAAMO CN1CCN(C[C@H]2CCCC[NH2+]2)CC1 19512301 343057091 /nfs/dbraw/zinc/05/70/91/343057091.db2.gz QQUUWDIEAUEONP-LLVKDONJSA-N 1 1 197.326 0.376 50 0 ACAAMO CN1CCN(C[C@@H]2CCCC[NH2+]2)CC1 19512299 343057192 /nfs/dbraw/zinc/05/71/92/343057192.db2.gz QQUUWDIEAUEONP-NSHDSACASA-N 1 1 197.326 0.376 50 0 ACAAMO C[NH+]1CCN(CCCCO)CC1 19691574 343058513 /nfs/dbraw/zinc/05/85/13/343058513.db2.gz GSFOUKVQYFLTRA-UHFFFAOYSA-N 1 1 172.272 0.006 50 0 in-vitro ACAAMO CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO 19703454 343058666 /nfs/dbraw/zinc/05/86/66/343058666.db2.gz VAUQXPBOGCJNHH-QWRGUYRKSA-N 1 1 198.310 0.537 50 0 biogenic ACAAMO C[N@@H+]1CCC[C@H]1CN1CCC[C@H]1CO 19703454 343058667 /nfs/dbraw/zinc/05/86/67/343058667.db2.gz VAUQXPBOGCJNHH-QWRGUYRKSA-N 1 1 198.310 0.537 50 0 biogenic ACAAMO C[N@H+]1CCC[C@H]1CN1CCC[C@H]1CO 19703454 343058669 /nfs/dbraw/zinc/05/86/69/343058669.db2.gz VAUQXPBOGCJNHH-QWRGUYRKSA-N 1 1 198.310 0.537 50 0 biogenic ACAAMO Cc1nc(C[NH3+])oc1C 19726750 343058889 /nfs/dbraw/zinc/05/88/89/343058889.db2.gz CXHCESKWMDAIJA-UHFFFAOYSA-N 1 1 126.159 0.750 50 0 ACAAMO CC(C)N1CC[NH2+]CC1 19735213 343059477 /nfs/dbraw/zinc/05/94/77/343059477.db2.gz WHKWMTXTYKVFLK-UHFFFAOYSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO C[C@H](C[NH3+])N1CCCCC1 19735760 343059480 /nfs/dbraw/zinc/05/94/80/343059480.db2.gz UNIIVAXJUCKZHT-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[C@H]1CCCC[N@H+]1CCN 19735202 343059521 /nfs/dbraw/zinc/05/95/21/343059521.db2.gz DBSDZVMWEMKFCH-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[C@H]1CCCCN1CC[NH3+] 19735202 343059523 /nfs/dbraw/zinc/05/95/23/343059523.db2.gz DBSDZVMWEMKFCH-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO CC[C@H](C)N1CC[NH2+]CC1 19735215 343059601 /nfs/dbraw/zinc/05/96/01/343059601.db2.gz ZHHCLIRTNOSAPB-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@H]1CN 19737033 343059830 /nfs/dbraw/zinc/05/98/30/343059830.db2.gz JUFKJRCMBLLXNH-LURJTMIESA-N 1 1 114.192 0.039 50 0 in-vitro ACAAMO CN1CCC[C@H]1C[NH3+] 19737033 343059836 /nfs/dbraw/zinc/05/98/36/343059836.db2.gz JUFKJRCMBLLXNH-LURJTMIESA-N 1 1 114.192 0.039 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@@H]1CN 19737032 343059856 /nfs/dbraw/zinc/05/98/56/343059856.db2.gz JUFKJRCMBLLXNH-ZCFIWIBFSA-N 1 1 114.192 0.039 50 0 in-vitro ACAAMO CN1CCC[C@@H]1C[NH3+] 19737032 343059862 /nfs/dbraw/zinc/05/98/62/343059862.db2.gz JUFKJRCMBLLXNH-ZCFIWIBFSA-N 1 1 114.192 0.039 50 0 in-vitro ACAAMO C[NH+](C)C(C)(C)CN 19795797 343060306 /nfs/dbraw/zinc/06/03/06/343060306.db2.gz PKZCRWFNSBIBEW-UHFFFAOYSA-N 1 1 116.208 0.285 50 0 in-vitro ACAAMO C[C@H]1CNC[C@H](C)[NH+]1C1CC1 19801201 343060934 /nfs/dbraw/zinc/06/09/34/343060934.db2.gz CXULSVFOEQUSKU-YUMQZZPRSA-N 1 1 154.257 0.831 50 0 ACAAMO CN(C)C(C)(C)C[NH+](C)C 19798459 343060955 /nfs/dbraw/zinc/06/09/55/343060955.db2.gz IHOVNUMTDBCBAJ-UHFFFAOYSA-N 1 1 144.262 0.888 50 0 ACAAMO CC(C)[N@H+]1CCC[C@H]1CN 19843294 343061868 /nfs/dbraw/zinc/06/18/68/343061868.db2.gz GDRVIRMOAGAAGC-QMMMGPOBSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO C[NH+](C)C1(CN)CCOCC1 19850996 343061944 /nfs/dbraw/zinc/06/19/44/343061944.db2.gz KCLFWPREWYWLTP-UHFFFAOYSA-N 1 1 158.245 0.056 50 0 in-vitro ACAAMO CN(CCO)c1ccc(N)c[nH+]1 19862542 343062361 /nfs/dbraw/zinc/06/23/61/343062361.db2.gz QCHDTOMXHJHLPB-UHFFFAOYSA-N 1 1 167.212 0.092 50 0 ACAAMO Cc1cccc2c1N(C)C(=O)[C@@H]2[NH3+] 19944108 343064965 /nfs/dbraw/zinc/06/49/65/343064965.db2.gz HGQLMLMRKXWVJO-MRVPVSSYSA-N 1 1 176.219 0.971 50 0 in-vitro ACAAMO CCC[NH2+]CCCN(C)C 19959171 343065433 /nfs/dbraw/zinc/06/54/33/343065433.db2.gz LVCAUABGOWBVQM-UHFFFAOYSA-N 1 1 144.262 0.938 50 0 in-vitro ACAAMO C[C@H]([NH3+])c1nc(C2CC2)no1 20023225 343065950 /nfs/dbraw/zinc/06/59/50/343065950.db2.gz UGYSUKNDXWQRIC-BYPYZUCNSA-N 1 1 153.185 0.967 50 0 in-vitro ACAAMO CN(CCO)c1[nH+]cccc1N 20317382 343071910 /nfs/dbraw/zinc/07/19/10/343071910.db2.gz QUVBDYRHEUIDPE-UHFFFAOYSA-N 1 1 167.212 0.092 50 0 ACAAMO CCCCC(=O)N1CC[NH+](C)CC1 20356303 343071945 /nfs/dbraw/zinc/07/19/45/343071945.db2.gz JDNGEKSTTQZLHP-UHFFFAOYSA-N 1 1 184.283 0.951 50 0 ACAAMO C[N@H+]1CCNCC12CCCC2 20381083 343072471 /nfs/dbraw/zinc/07/24/71/343072471.db2.gz QTTCFJXNEWPIQU-UHFFFAOYSA-N 1 1 154.257 0.834 50 0 ACAAMO CN1CC[NH2+]CC12CCCC2 20381083 343072472 /nfs/dbraw/zinc/07/24/72/343072472.db2.gz QTTCFJXNEWPIQU-UHFFFAOYSA-N 1 1 154.257 0.834 50 0 ACAAMO C[C@H]([NH3+])c1ncco1 20417888 343072710 /nfs/dbraw/zinc/07/27/10/343072710.db2.gz CWJDVDQXFIORGV-BYPYZUCNSA-N 1 1 112.132 0.694 50 0 in-vitro ACAAMO CC(C)N1CCC[C@@H]([NH3+])C1 20438746 343073083 /nfs/dbraw/zinc/07/30/83/343073083.db2.gz IWMWQJJKTUJTHA-MRVPVSSYSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)[N@@H+]1CCC[C@@H](N)C1 20438746 343073084 /nfs/dbraw/zinc/07/30/84/343073084.db2.gz IWMWQJJKTUJTHA-MRVPVSSYSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCC[C@@H](N)C1 20438746 343073086 /nfs/dbraw/zinc/07/30/86/343073086.db2.gz IWMWQJJKTUJTHA-MRVPVSSYSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO C[N@H+]1CCCCC[C@H]1CN 20441432 343073149 /nfs/dbraw/zinc/07/31/49/343073149.db2.gz VCBLNAMNSRVRGZ-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 ACAAMO CN1CCCCC[C@H]1C[NH3+] 20441432 343073152 /nfs/dbraw/zinc/07/31/52/343073152.db2.gz VCBLNAMNSRVRGZ-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 ACAAMO CC(C)N1CCC[C@H]([NH3+])C1 20438751 343073312 /nfs/dbraw/zinc/07/33/12/343073312.db2.gz IWMWQJJKTUJTHA-QMMMGPOBSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)[N@@H+]1CCC[C@H](N)C1 20438751 343073314 /nfs/dbraw/zinc/07/33/14/343073314.db2.gz IWMWQJJKTUJTHA-QMMMGPOBSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCC[C@H](N)C1 20438751 343073317 /nfs/dbraw/zinc/07/33/17/343073317.db2.gz IWMWQJJKTUJTHA-QMMMGPOBSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO Cc1ncc(C[NH3+])[nH]1 20441502 343073549 /nfs/dbraw/zinc/07/35/49/343073549.db2.gz CVGDNOXAJIGIFQ-UHFFFAOYSA-N 1 1 111.148 0.177 50 0 ACAAMO C[N@H+]1CCCCC[C@@H]1CN 20441428 343073510 /nfs/dbraw/zinc/07/35/10/343073510.db2.gz VCBLNAMNSRVRGZ-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 ACAAMO CN1CCCCC[C@@H]1C[NH3+] 20441428 343073511 /nfs/dbraw/zinc/07/35/11/343073511.db2.gz VCBLNAMNSRVRGZ-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 ACAAMO C[N@H+]1CCCN(C(=O)C2CCC2)CC1 20496162 343074016 /nfs/dbraw/zinc/07/40/16/343074016.db2.gz GCZYPZFTBNDVMF-UHFFFAOYSA-N 1 1 196.294 0.951 50 0 ACAAMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N 20775031 343074740 /nfs/dbraw/zinc/07/47/40/343074740.db2.gz KJSCOXHVQCIXQY-XPUUQOCRSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1N 20775031 343074741 /nfs/dbraw/zinc/07/47/41/343074741.db2.gz KJSCOXHVQCIXQY-XPUUQOCRSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[N@H+]1[C@H]2CCC[C@@H]1[C@@H](O)C2 20859514 343074842 /nfs/dbraw/zinc/07/48/42/343074842.db2.gz PZPVPVJLCPBGRW-RNJXMRFFSA-N 1 1 141.214 0.604 50 0 ACAAMO CC[C@@H]1CNCC[N@@H+]1C 21953064 343075935 /nfs/dbraw/zinc/07/59/35/343075935.db2.gz AWZLXVAPLHUDSY-SSDOTTSWSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC[C@@H]1CNCC[N@H+]1C 21953064 343075937 /nfs/dbraw/zinc/07/59/37/343075937.db2.gz AWZLXVAPLHUDSY-SSDOTTSWSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCNC[C@H]1C 21953072 343076002 /nfs/dbraw/zinc/07/60/02/343076002.db2.gz GGROKFCODOVWLX-MRVPVSSYSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO CC(C)N1CC[NH2+]C[C@H]1C 21953072 343076004 /nfs/dbraw/zinc/07/60/04/343076004.db2.gz GGROKFCODOVWLX-MRVPVSSYSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO CC[C@H]1CNCC[N@@H+]1C 21953066 343076065 /nfs/dbraw/zinc/07/60/65/343076065.db2.gz AWZLXVAPLHUDSY-ZETCQYMHSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC[C@H]1CNCC[N@H+]1C 21953066 343076067 /nfs/dbraw/zinc/07/60/67/343076067.db2.gz AWZLXVAPLHUDSY-ZETCQYMHSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCNC[C@@H]1C 21953069 343076209 /nfs/dbraw/zinc/07/62/09/343076209.db2.gz GGROKFCODOVWLX-QMMMGPOBSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO CC(C)N1CC[NH2+]C[C@@H]1C 21953069 343076211 /nfs/dbraw/zinc/07/62/11/343076211.db2.gz GGROKFCODOVWLX-QMMMGPOBSA-N 1 1 142.246 0.689 50 0 in-vitro ACAAMO CCc1[nH]nc2c1C[NH2+]CC2 21953415 343076576 /nfs/dbraw/zinc/07/65/76/343076576.db2.gz ZLDCRTPWKGHTNK-UHFFFAOYSA-N 1 1 151.213 0.618 50 0 ACAAMO CC(C)[C@@H]1C[NH2+]CCN1 22000562 343077698 /nfs/dbraw/zinc/07/76/98/343077698.db2.gz HBCSNWKQNPKIHK-ZETCQYMHSA-N 1 1 128.219 0.204 50 0 in-vitro ACAAMO CC(C)[N@H+](C)CCN 22172146 343080139 /nfs/dbraw/zinc/08/01/39/343080139.db2.gz QZNLXSYPOLTMIP-UHFFFAOYSA-N 1 1 116.208 0.285 50 0 in-vitro ACAAMO CC(C)[N@@H+](C)CCN 22172146 343080141 /nfs/dbraw/zinc/08/01/41/343080141.db2.gz QZNLXSYPOLTMIP-UHFFFAOYSA-N 1 1 116.208 0.285 50 0 in-vitro ACAAMO CC(C)N(C)C[C@H](C)[NH3+] 22212711 343080948 /nfs/dbraw/zinc/08/09/48/343080948.db2.gz JGPLGXKAPTVKMX-ZETCQYMHSA-N 1 1 130.235 0.674 50 0 in-vitro ACAAMO CC(C)[N@@H+](C)C[C@H](C)N 22212711 343080951 /nfs/dbraw/zinc/08/09/51/343080951.db2.gz JGPLGXKAPTVKMX-ZETCQYMHSA-N 1 1 130.235 0.674 50 0 in-vitro ACAAMO CC(C)[N@H+](C)C[C@H](C)N 22212711 343080953 /nfs/dbraw/zinc/08/09/53/343080953.db2.gz JGPLGXKAPTVKMX-ZETCQYMHSA-N 1 1 130.235 0.674 50 0 in-vitro ACAAMO CC1(C)C[C@]2(CCO1)CNCC[NH2+]2 22455938 343081470 /nfs/dbraw/zinc/08/14/70/343081470.db2.gz SRORHJOLXOKEPW-SNVBAGLBSA-N 1 1 184.283 0.507 50 0 biogenic ACAAMO CC1(C)C[C@@]2(CCO1)CNCC[NH2+]2 22455933 343081480 /nfs/dbraw/zinc/08/14/80/343081480.db2.gz SRORHJOLXOKEPW-JTQLQIEISA-N 1 1 184.283 0.507 50 0 biogenic ACAAMO C[C@H]1NCC[N@H+]2CCC[C@H]12 22594464 343081685 /nfs/dbraw/zinc/08/16/85/343081685.db2.gz JTFHNFCIQLHQAY-HTQZYQBOSA-N 1 1 140.230 0.443 50 0 in-vitro ACAAMO C[C@H](C1CC1)N1CC[NH2+]CC1 22581861 343081744 /nfs/dbraw/zinc/08/17/44/343081744.db2.gz AXJIJAULSKAVAR-MRVPVSSYSA-N 1 1 154.257 0.690 50 0 in-vitro ACAAMO CC(C)N1CC[NH+](CCO)CC1 22579861 343081796 /nfs/dbraw/zinc/08/17/96/343081796.db2.gz KDYNMWFSJAIPSW-UHFFFAOYSA-N 1 1 172.272 0.005 50 0 in-vitro ACAAMO CC[C@@H](CN)[N@@H+](C)CC 23094249 343083347 /nfs/dbraw/zinc/08/33/47/343083347.db2.gz NFEMRESATTWNAD-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[C@@H](C[NH3+])N(C)CC 23094249 343083348 /nfs/dbraw/zinc/08/33/48/343083348.db2.gz NFEMRESATTWNAD-ZETCQYMHSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC(C)N1CC[C@@H]([NH3+])C1 22942074 343082862 /nfs/dbraw/zinc/08/28/62/343082862.db2.gz SYMMPPWYYXRLJX-SSDOTTSWSA-N 1 1 128.219 0.428 50 0 in-vitro ACAAMO CC(C)[C@@H](C[NH3+])N(C)C 22921523 343082641 /nfs/dbraw/zinc/08/26/41/343082641.db2.gz DJVWTEQJNMZOQF-SSDOTTSWSA-N 1 1 130.235 0.531 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCCNCC1 22916924 343082808 /nfs/dbraw/zinc/08/28/08/343082808.db2.gz XEGFJPJTBTYPNB-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO CC(C)N1CCC[NH2+]CC1 22916924 343082810 /nfs/dbraw/zinc/08/28/10/343082810.db2.gz XEGFJPJTBTYPNB-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO C[C@H]1CNC[C@@H](C)[N@@H+]1C 22910953 343082818 /nfs/dbraw/zinc/08/28/18/343082818.db2.gz QHVYJSBQXIIROJ-KNVOCYPGSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@H]1CNC[C@@H](C)[N@H+]1C 22910953 343082819 /nfs/dbraw/zinc/08/28/19/343082819.db2.gz QHVYJSBQXIIROJ-KNVOCYPGSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO CC[C@@H](CN)[NH+](C)C 23066195 343082851 /nfs/dbraw/zinc/08/28/51/343082851.db2.gz QYMUENUCKRLOTB-LURJTMIESA-N 1 1 116.208 0.285 50 0 in-vitro ACAAMO CC(C)[N@H+]1CC[C@@H](N)C1 22942074 343082858 /nfs/dbraw/zinc/08/28/58/343082858.db2.gz SYMMPPWYYXRLJX-SSDOTTSWSA-N 1 1 128.219 0.428 50 0 in-vitro ACAAMO CC[C@H](CN)[NH+](C)C 23066197 343082896 /nfs/dbraw/zinc/08/28/96/343082896.db2.gz QYMUENUCKRLOTB-ZCFIWIBFSA-N 1 1 116.208 0.285 50 0 in-vitro ACAAMO CC(C)[N@H+]1CC[C@H](N)C1 22942078 343082920 /nfs/dbraw/zinc/08/29/20/343082920.db2.gz SYMMPPWYYXRLJX-ZETCQYMHSA-N 1 1 128.219 0.428 50 0 in-vitro ACAAMO C[C@H]1CNC[C@@H](C)[N@@H+]1C1CC1 22910960 343082946 /nfs/dbraw/zinc/08/29/46/343082946.db2.gz CXULSVFOEQUSKU-OCAPTIKFSA-N 1 1 154.257 0.831 50 0 ACAAMO C[C@H]1CNC[C@@H](C)[N@H+]1C1CC1 22910960 343082947 /nfs/dbraw/zinc/08/29/47/343082947.db2.gz CXULSVFOEQUSKU-OCAPTIKFSA-N 1 1 154.257 0.831 50 0 ACAAMO CC(C)[C@H](C[NH3+])N(C)C 22921526 343082966 /nfs/dbraw/zinc/08/29/66/343082966.db2.gz DJVWTEQJNMZOQF-ZETCQYMHSA-N 1 1 130.235 0.531 50 0 in-vitro ACAAMO C[C@H]1CNC[C@H](C)[NH+]1C 22910956 343083033 /nfs/dbraw/zinc/08/30/33/343083033.db2.gz QHVYJSBQXIIROJ-BQBZGAKWSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO CN1CCN(C2(C[NH3+])CCCC2)CC1 23094085 343083249 /nfs/dbraw/zinc/08/32/49/343083249.db2.gz KUTJXIZFVLYHEV-UHFFFAOYSA-N 1 1 197.326 0.505 50 0 in-vitro ACAAMO C[C@H]1CN(C)CCC[NH2+]1 23093931 343083327 /nfs/dbraw/zinc/08/33/27/343083327.db2.gz CPZHVHQMQBDZMW-ZETCQYMHSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+](C2CC2)CCN1 23319658 343083451 /nfs/dbraw/zinc/08/34/51/343083451.db2.gz IQEDRJJKXCQPMH-ZETCQYMHSA-N 1 1 140.230 0.443 50 0 ACAAMO C[C@H]1C[N@H+](C2CC2)CCN1 23319658 343083453 /nfs/dbraw/zinc/08/34/53/343083453.db2.gz IQEDRJJKXCQPMH-ZETCQYMHSA-N 1 1 140.230 0.443 50 0 ACAAMO C[N@@H+]1[C@H]2CC[C@@H]1CNC2 23342408 343083507 /nfs/dbraw/zinc/08/35/07/343083507.db2.gz OFNWMZRPXFBZPX-KNVOCYPGSA-N 1 1 126.203 0.052 50 0 ACAAMO C[N@H+]1[C@H]2CC[C@@H]1CNC2 23342408 343083509 /nfs/dbraw/zinc/08/35/09/343083509.db2.gz OFNWMZRPXFBZPX-KNVOCYPGSA-N 1 1 126.203 0.052 50 0 ACAAMO CC(C)[C@H]1C[N@H+](C)CCN1 23093610 343083537 /nfs/dbraw/zinc/08/35/37/343083537.db2.gz AWEMTXATTGFXPG-MRVPVSSYSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC(C)[C@H]1C[N@@H+](C)CCN1 23093610 343083539 /nfs/dbraw/zinc/08/35/39/343083539.db2.gz AWEMTXATTGFXPG-MRVPVSSYSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC[C@H](CN)[N@@H+](C)CC 23094250 343083613 /nfs/dbraw/zinc/08/36/13/343083613.db2.gz NFEMRESATTWNAD-SSDOTTSWSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO CC[C@H](C[NH3+])N(C)CC 23094250 343083615 /nfs/dbraw/zinc/08/36/15/343083615.db2.gz NFEMRESATTWNAD-SSDOTTSWSA-N 1 1 130.235 0.675 50 0 in-vitro ACAAMO C[N@@H+]1CCNC(C)(C)C1 23093947 343083635 /nfs/dbraw/zinc/08/36/35/343083635.db2.gz KVWMFPQRDKFZMP-UHFFFAOYSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO C[N@H+]1CCNC(C)(C)C1 23093947 343083638 /nfs/dbraw/zinc/08/36/38/343083638.db2.gz KVWMFPQRDKFZMP-UHFFFAOYSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC(C)[C@H]1C[NH2+]CCN1 23363477 343083653 /nfs/dbraw/zinc/08/36/53/343083653.db2.gz HBCSNWKQNPKIHK-SSDOTTSWSA-N 1 1 128.219 0.204 50 0 in-vitro ACAAMO CN1CCN(C2(C)CC[NH2+]CC2)CC1 23471838 343084061 /nfs/dbraw/zinc/08/40/61/343084061.db2.gz GOMVBWWQDZOVSH-UHFFFAOYSA-N 1 1 197.326 0.376 50 0 ACAAMO C[C@H]1CCC[N@H+]1CCN 37910070 343180542 /nfs/dbraw/zinc/18/05/42/343180542.db2.gz CWCJURPRDOORGY-ZETCQYMHSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C[C@H]1C[C@H](N)C[N@@H+]1C1CC1 23844655 343084450 /nfs/dbraw/zinc/08/44/50/343084450.db2.gz BXEZDTWKLTUSIV-BQBZGAKWSA-N 1 1 140.230 0.570 50 0 in-vitro ACAAMO C[C@H]1C[C@H](N)C[N@H+]1C1CC1 23844655 343084452 /nfs/dbraw/zinc/08/44/52/343084452.db2.gz BXEZDTWKLTUSIV-BQBZGAKWSA-N 1 1 140.230 0.570 50 0 in-vitro ACAAMO Cc1cn[nH]c1C1C[NH2+]C1 23908948 343084997 /nfs/dbraw/zinc/08/49/97/343084997.db2.gz RZIXYQINAMHAIJ-UHFFFAOYSA-N 1 1 137.186 0.405 50 0 ACAAMO C[N@H+]1[C@H]2CC[C@@H]1CCNC2 24115325 343085345 /nfs/dbraw/zinc/08/53/45/343085345.db2.gz NRCDIJJTFDJACX-SFYZADRCSA-N 1 1 140.230 0.443 50 0 ACAAMO C[N@@H+]1[C@H]2CC[C@@H]1CCNC2 24115325 343085347 /nfs/dbraw/zinc/08/53/47/343085347.db2.gz NRCDIJJTFDJACX-SFYZADRCSA-N 1 1 140.230 0.443 50 0 ACAAMO Cc1n[nH]c2c1C[NH2+]CC2 26051128 343087495 /nfs/dbraw/zinc/08/74/95/343087495.db2.gz SKNBYROUCJKRDB-UHFFFAOYSA-N 1 1 137.186 0.364 50 0 in-vitro ACAAMO Cc1nnc(C[NH3+])s1 26461330 343088270 /nfs/dbraw/zinc/08/82/70/343088270.db2.gz BPPLZEYBPSFHTO-UHFFFAOYSA-N 1 1 129.188 0.305 50 0 in-vitro ACAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1 26472103 343088752 /nfs/dbraw/zinc/08/87/52/343088752.db2.gz VJSUDAXXXXTREH-RKDXNWHRSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO C[NH+](C)[C@@H](CN)C1CC1 26510862 343089162 /nfs/dbraw/zinc/08/91/62/343089162.db2.gz UEJWODNUYBQODM-ZETCQYMHSA-N 1 1 128.219 0.285 50 0 in-vitro ACAAMO C[NH+](C)[C@H](CN)C1CC1 26510865 343089250 /nfs/dbraw/zinc/08/92/50/343089250.db2.gz UEJWODNUYBQODM-SSDOTTSWSA-N 1 1 128.219 0.285 50 0 in-vitro ACAAMO C[C@H]1C[NH2+]C(C)(C)CN1 26899098 343090842 /nfs/dbraw/zinc/09/08/42/343090842.db2.gz BHUBBXYEMNDWPZ-LURJTMIESA-N 1 1 128.219 0.346 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@@H](C(N)=[NH2+])C1 26898062 343090875 /nfs/dbraw/zinc/09/08/75/343090875.db2.gz YOEDLRORQIKPJA-ZCFIWIBFSA-N 1 1 141.218 0.264 50 0 in-vitro ACAAMO CC(C)OC(=O)[C@H](C)[NH3+] 31829396 343094375 /nfs/dbraw/zinc/09/43/75/343094375.db2.gz QDQVXVRZVCTVHE-YFKPBYRVSA-N 1 1 131.175 0.285 50 0 ACAAMO CCCC[N@H+]1CC[C@H](N)C1 31996455 343095213 /nfs/dbraw/zinc/09/52/13/343095213.db2.gz WZQVWDRDYHYXBG-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 ACAAMO CCCCN1CC[C@H]([NH3+])C1 31996455 343095217 /nfs/dbraw/zinc/09/52/17/343095217.db2.gz WZQVWDRDYHYXBG-QMMMGPOBSA-N 1 1 142.246 0.820 50 0 ACAAMO CCCCN1CC[C@@H]([NH3+])C1 31996451 343095241 /nfs/dbraw/zinc/09/52/41/343095241.db2.gz WZQVWDRDYHYXBG-MRVPVSSYSA-N 1 1 142.246 0.820 50 0 ACAAMO CCC[N@@H+]1CC[C@H](N)C1 31996775 343095316 /nfs/dbraw/zinc/09/53/16/343095316.db2.gz QQBSLNKWDXZLKL-ZETCQYMHSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CCC[N@H+]1CC[C@H](N)C1 31996775 343095317 /nfs/dbraw/zinc/09/53/17/343095317.db2.gz QQBSLNKWDXZLKL-ZETCQYMHSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO CC[C@H](C)[N@H+]1CC[C@@H](N)C1 31996782 343095346 /nfs/dbraw/zinc/09/53/46/343095346.db2.gz UYZDDPIZRFTWMM-JGVFFNPUSA-N 1 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0.429 50 0 in-vitro ACAAMO CCC([NH3+])(CC)CN 38644388 343189604 /nfs/dbraw/zinc/18/96/04/343189604.db2.gz ZVZPXKGMHIJPET-UHFFFAOYSA-N 1 1 116.208 0.463 50 0 in-vitro ACAAMO CN(C)c1cc(N)[nH+]cn1 39054511 343194825 /nfs/dbraw/zinc/19/48/25/343194825.db2.gz NAEUTEMXFHEUJC-UHFFFAOYSA-N 1 1 138.174 0.125 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCC[C@H]1C(N)=O 39065080 343195971 /nfs/dbraw/zinc/19/59/71/343195971.db2.gz HRJKYJQVBJYEBH-ZETCQYMHSA-N 1 1 156.229 0.345 50 0 ACAAMO C[NH+](C)C1(CN)CCC1 39074022 343196236 /nfs/dbraw/zinc/19/62/36/343196236.db2.gz OJICYCRCZTYFAV-UHFFFAOYSA-N 1 1 128.219 0.429 50 0 in-vitro ACAAMO C=CC[C@@H](C(=O)OC)[NH+](C)C 39074249 343196287 /nfs/dbraw/zinc/19/62/87/343196287.db2.gz YOPNWIQNZIMUIT-ZETCQYMHSA-N 1 1 157.213 0.666 50 0 ACAAMO CC[C@H]1C[C@@]1([NH3+])C(=O)OC 39083164 343197265 /nfs/dbraw/zinc/19/72/65/343197265.db2.gz OGJFOUDGUGGQPA-FSPLSTOPSA-N 1 1 143.186 0.287 50 0 ACAAMO CC(C)[N@H+]1CCO[C@H](CO)C1 39103604 343198957 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C[C@H](CC(=O)[O-])[N@H+]1CCC[C@H]([NH3+])C1 42289074 343239725 /nfs/dbraw/zinc/23/97/25/343239725.db2.gz LGHNCFBUACNWBQ-SFYZADRCSA-N 1 1 186.255 0.273 50 0 ACAAMO CCc1nnc(C[NH3+])s1 42384029 343241045 /nfs/dbraw/zinc/24/10/45/343241045.db2.gz INWYCJDFWDQHBW-UHFFFAOYSA-N 1 1 143.215 0.559 50 0 in-vitro ACAAMO Cn1cc(C[N@@H+](C)CC(C)(C)O)cn1 42489179 343244259 /nfs/dbraw/zinc/24/42/59/343244259.db2.gz IPPKBDYTUWMVIV-UHFFFAOYSA-N 1 1 197.282 0.623 50 0 ACAAMO C[C@H](O)CCNc1[nH+]cccc1N 42783901 343249379 /nfs/dbraw/zinc/24/93/79/343249379.db2.gz CJOBFPBTBMDGFX-ZETCQYMHSA-N 1 1 181.239 0.847 50 0 ACAAMO CN(CCO)CC[C@@H]1CCCC[NH2+]1 42783327 343249477 /nfs/dbraw/zinc/24/94/77/343249477.db2.gz SRXVYTDJFFUQBU-JTQLQIEISA-N 1 1 186.299 0.443 50 0 ACAAMO CN(CCO)CC[C@H]1CCCC[NH2+]1 42783328 343249485 /nfs/dbraw/zinc/24/94/85/343249485.db2.gz SRXVYTDJFFUQBU-SNVBAGLBSA-N 1 1 186.299 0.443 50 0 ACAAMO C[N@H+]1CCC[C@@H](CCO)C1 42784354 343249720 /nfs/dbraw/zinc/24/97/20/343249720.db2.gz 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in-vitro ACAAMO C[C@H]1CCC[C@@H](C)[N@H+]1CCNC=O 44126233 343260916 /nfs/dbraw/zinc/26/09/16/343260916.db2.gz PUQQLNKMOHUADV-AOOOYVTPSA-N 1 1 184.283 0.995 50 0 ACAAMO CC(C)c1nnc2n1CC[NH2+]C2 44682157 343267944 /nfs/dbraw/zinc/26/79/44/343267944.db2.gz HLVMFESFZBIMBC-UHFFFAOYSA-N 1 1 166.228 0.505 50 0 in-vitro ACAAMO Cc1nc(N)c(C)c(C)[nH+]1 45628391 343272078 /nfs/dbraw/zinc/27/20/78/343272078.db2.gz HNOWKUQKICEGKY-UHFFFAOYSA-N 1 1 137.186 0.984 50 0 in-vitro ACAAMO Cc1nc(C2CC[NH2+]CC2)n[nH]1 47843899 343273100 /nfs/dbraw/zinc/27/31/00/343273100.db2.gz DVYSYRXOUIBQJG-UHFFFAOYSA-N 1 1 166.228 0.580 50 0 in-vitro ACAAMO Cc1nnc(C2CC[NH2+]CC2)[nH]1 47843899 343273101 /nfs/dbraw/zinc/27/31/01/343273101.db2.gz DVYSYRXOUIBQJG-UHFFFAOYSA-N 1 1 166.228 0.580 50 0 in-vitro ACAAMO C[N@H+]1C[C@@H]2C[C@H](C1)C2=O 47845149 343273104 /nfs/dbraw/zinc/27/31/04/343273104.db2.gz SAWKZFSKZRHOJA-OLQVQODUSA-N 1 1 125.171 0.137 50 0 in-vitro ACAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)NC1CC1 48341302 343274120 /nfs/dbraw/zinc/27/41/20/343274120.db2.gz GJCSFSGDBXWOAT-MRVPVSSYSA-N 1 1 196.294 0.995 50 0 ACAAMO Cc1nnc([C@@H]2CCC[NH2+]C2)[nH]1 48630540 343275026 /nfs/dbraw/zinc/27/50/26/343275026.db2.gz LQRBMNJCBSBPDJ-SSDOTTSWSA-N 1 1 166.228 0.580 50 0 ACAAMO Cc1nnc([C@H]2CCC[NH2+]C2)[nH]1 48630541 343275053 /nfs/dbraw/zinc/27/50/53/343275053.db2.gz LQRBMNJCBSBPDJ-ZETCQYMHSA-N 1 1 166.228 0.580 50 0 ACAAMO Cc1nc([C@H]2CCC[NH2+]C2)n[nH]1 48630541 343275054 /nfs/dbraw/zinc/27/50/54/343275054.db2.gz LQRBMNJCBSBPDJ-ZETCQYMHSA-N 1 1 166.228 0.580 50 0 ACAAMO CCc1nnc(C2CC[NH2+]CC2)[nH]1 48630894 343275176 /nfs/dbraw/zinc/27/51/76/343275176.db2.gz UQXGXVADESAMLD-UHFFFAOYSA-N 1 1 180.255 0.834 50 0 in-vitro ACAAMO CCc1nc(C2CC[NH2+]CC2)n[nH]1 48630894 343275179 /nfs/dbraw/zinc/27/51/79/343275179.db2.gz UQXGXVADESAMLD-UHFFFAOYSA-N 1 1 180.255 0.834 50 0 in-vitro ACAAMO Cc1cccc(OC(=O)C[NH3+])c1 49804828 343276641 /nfs/dbraw/zinc/27/66/41/343276641.db2.gz ITRJMEBTPBMAHQ-UHFFFAOYSA-N 1 1 165.192 0.859 50 0 ACAAMO CC(C)[N@H+]1CCC[C@H]1CO 50114110 343278098 /nfs/dbraw/zinc/27/80/98/343278098.db2.gz XJCUYISZYNEDKN-QMMMGPOBSA-N 1 1 143.230 0.852 50 0 ACAAMO C[C@H]1CN[C@H](C)C[N@@H+]1C 51971096 343297142 /nfs/dbraw/zinc/29/71/42/343297142.db2.gz CDHYSFKPWCVXHZ-RQJHMYQMSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@H]1CN[C@H](C)C[N@H+]1C 51971096 343297144 /nfs/dbraw/zinc/29/71/44/343297144.db2.gz CDHYSFKPWCVXHZ-RQJHMYQMSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO Cc1cc(CN2CC[NH2+]CC2)n[nH]1 52860987 343311225 /nfs/dbraw/zinc/31/12/25/343311225.db2.gz SRKYKYNKQFNFHM-UHFFFAOYSA-N 1 1 180.255 0.123 50 0 ACAAMO CC(C)Cc1nnc2n1CC[NH2+]C2 53709441 343315126 /nfs/dbraw/zinc/31/51/26/343315126.db2.gz YDGYOONMGVOMSY-UHFFFAOYSA-N 1 1 180.255 0.580 50 0 in-vitro ACAAMO C[C@H]1CNCC[N@@H+]1CC(C)(C)O 54374503 343321962 /nfs/dbraw/zinc/32/19/62/343321962.db2.gz MIAMZJKMKXIIKX-QMMMGPOBSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO C[C@H]1CNCC[N@H+]1CC(C)(C)O 54374503 343321963 /nfs/dbraw/zinc/32/19/63/343321963.db2.gz MIAMZJKMKXIIKX-QMMMGPOBSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO Cc1nc(N)n(-c2cc[nH+]cc2)n1 54404558 343323318 /nfs/dbraw/zinc/32/33/18/343323318.db2.gz VNIFLKWWLUJBST-UHFFFAOYSA-N 1 1 175.195 0.553 50 0 ACAAMO CCCC[C@H]([NH3+])C(=O)OC 55157322 343334026 /nfs/dbraw/zinc/33/40/26/343334026.db2.gz TVZNFYXAPXOARC-LURJTMIESA-N 1 1 145.202 0.677 50 0 in-vitro ACAAMO CCCC[C@@H]([NH3+])C(=O)OC 55157323 343334045 /nfs/dbraw/zinc/33/40/45/343334045.db2.gz TVZNFYXAPXOARC-ZCFIWIBFSA-N 1 1 145.202 0.677 50 0 in-vitro ACAAMO C[C@H]([NH3+])C(=O)OC(C)(C)C 55157329 343334169 /nfs/dbraw/zinc/33/41/69/343334169.db2.gz TZHVYFBSLOMRCU-YFKPBYRVSA-N 1 1 145.202 0.675 50 0 in-vitro ACAAMO CC(C)[C@@H]1C[N@H+](C)CCN1 56894924 343336140 /nfs/dbraw/zinc/33/61/40/343336140.db2.gz AWEMTXATTGFXPG-QMMMGPOBSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1 56894924 343336141 /nfs/dbraw/zinc/33/61/41/343336141.db2.gz AWEMTXATTGFXPG-QMMMGPOBSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO Cc1nc(C[NH3+])sc1C(N)=O 57219127 343336809 /nfs/dbraw/zinc/33/68/09/343336809.db2.gz HYLHOIPOEGNMID-UHFFFAOYSA-N 1 1 171.225 0.009 50 0 ACAAMO Cc1nc2n(c1C)CC[NH2+]C2 57217724 343336856 /nfs/dbraw/zinc/33/68/56/343336856.db2.gz RONCKQCCYTWWAI-UHFFFAOYSA-N 1 1 151.213 0.603 50 0 in-vitro ACAAMO CC(C)[N@@H+](C)CC(=O)N1CCCC1 58430720 343339557 /nfs/dbraw/zinc/33/95/57/343339557.db2.gz RRBFGYMWQZNHCL-UHFFFAOYSA-N 1 1 184.283 0.949 50 0 ACAAMO C[C@H]1C[C@H]([NH+]2CCC(O)CC2)C(=O)O1 58357758 343339588 /nfs/dbraw/zinc/33/95/88/343339588.db2.gz QFBNLRITOPCPCA-CBAPKCEASA-N 1 1 199.250 0.147 50 0 ACAAMO C[C@H]1C[C@@H]([NH+]2CCC(O)CC2)C(=O)O1 58357760 343339595 /nfs/dbraw/zinc/33/95/95/343339595.db2.gz QFBNLRITOPCPCA-IONNQARKSA-N 1 1 199.250 0.147 50 0 ACAAMO CC(C)[N@@H+](CC(=O)NC(N)=O)C1CC1 58343378 343339756 /nfs/dbraw/zinc/33/97/56/343339756.db2.gz VNFABKCBZMYSNU-UHFFFAOYSA-N 1 1 199.254 0.054 50 0 ACAAMO CC[C@H](C)[C@H]([NH2+]C)C(=O)OC 59167848 343342551 /nfs/dbraw/zinc/34/25/51/343342551.db2.gz LAWYTLVUHMZCFE-BQBZGAKWSA-N 1 1 159.229 0.794 50 0 in-vitro ACAAMO CN1CC[C@]2(CCC[NH2+]C2)C1 59270593 343343671 /nfs/dbraw/zinc/34/36/71/343343671.db2.gz BASGGIUQFOKXEP-VIFPVBQESA-N 1 1 154.257 0.692 50 0 in-vitro ACAAMO CN1CC[C@@]2(CCC[NH2+]C2)C1 59270594 343343839 /nfs/dbraw/zinc/34/38/39/343343839.db2.gz BASGGIUQFOKXEP-SECBINFHSA-N 1 1 154.257 0.692 50 0 in-vitro ACAAMO C[C@]12CCC[N@H+]1CCNC2 60091240 343350558 /nfs/dbraw/zinc/35/05/58/343350558.db2.gz IPGPAUBAGCJNHI-MRVPVSSYSA-N 1 1 140.230 0.444 50 0 ACAAMO C[C@@]12CCC[N@H+]1CCNC2 60091238 343350602 /nfs/dbraw/zinc/35/06/02/343350602.db2.gz IPGPAUBAGCJNHI-QMMMGPOBSA-N 1 1 140.230 0.444 50 0 in-vitro ACAAMO CNC(C)(C)C[NH2+]C 61319643 343356062 /nfs/dbraw/zinc/35/60/62/343356062.db2.gz HCFJTTNNAWMEDU-UHFFFAOYSA-N 1 1 116.208 0.204 50 0 ACAAMO CNCC(C)(C)[NH2+]C 61319643 343356064 /nfs/dbraw/zinc/35/60/64/343356064.db2.gz HCFJTTNNAWMEDU-UHFFFAOYSA-N 1 1 116.208 0.204 50 0 ACAAMO CC[C@](C)(CO)C[N@H+]1CC[C@H](O)C1 61712164 343362618 /nfs/dbraw/zinc/36/26/18/343362618.db2.gz VLDARPZOBMMLOB-UWVGGRQHSA-N 1 1 187.283 0.462 50 0 in-vitro ACAAMO CC[C@@](C)(CO)C[N@H+]1CC[C@H](O)C1 61712165 343362705 /nfs/dbraw/zinc/36/27/05/343362705.db2.gz VLDARPZOBMMLOB-VHSXEESVSA-N 1 1 187.283 0.462 50 0 in-vitro ACAAMO Cc1cn2c(n1)C[NH2+]CC2 62088732 343370874 /nfs/dbraw/zinc/37/08/74/343370874.db2.gz VJISEYLRRDUZHP-UHFFFAOYSA-N 1 1 137.186 0.295 50 0 in-vitro ACAAMO Cc1nnc([C@H]2CC[NH2+]C2)[nH]1 62132663 343371645 /nfs/dbraw/zinc/37/16/45/343371645.db2.gz UQWFVUXCVOHHLM-LURJTMIESA-N 1 1 152.201 0.190 50 0 ACAAMO Cc1nc([C@H]2CC[NH2+]C2)n[nH]1 62132663 343371648 /nfs/dbraw/zinc/37/16/48/343371648.db2.gz UQWFVUXCVOHHLM-LURJTMIESA-N 1 1 152.201 0.190 50 0 ACAAMO Cc1nnc([C@@H]2CC[NH2+]C2)[nH]1 62132662 343371896 /nfs/dbraw/zinc/37/18/96/343371896.db2.gz UQWFVUXCVOHHLM-ZCFIWIBFSA-N 1 1 152.201 0.190 50 0 ACAAMO Cc1nc([C@@H]2CC[NH2+]C2)n[nH]1 62132662 343371899 /nfs/dbraw/zinc/37/18/99/343371899.db2.gz UQWFVUXCVOHHLM-ZCFIWIBFSA-N 1 1 152.201 0.190 50 0 ACAAMO C[C@@H]1C[NH2+]CCCN1C 62566219 343374757 /nfs/dbraw/zinc/37/47/57/343374757.db2.gz ZEWCWIZCJWSJFN-SSDOTTSWSA-N 1 1 128.219 0.300 50 0 ACAAMO CC1(C)C[NH2+]CCCN1 62566223 343375167 /nfs/dbraw/zinc/37/51/67/343375167.db2.gz BCPHESVFXXEVHA-UHFFFAOYSA-N 1 1 128.219 0.348 50 0 ACAAMO CC1(C)C[N@H+]2CCC[C@@H]2CN1 62566296 343375260 /nfs/dbraw/zinc/37/52/60/343375260.db2.gz WWFPGQRZMHDQJL-MRVPVSSYSA-N 1 1 154.257 0.833 50 0 ACAAMO C[C@H]1C[NH2+]CCCN1C 62566222 343375575 /nfs/dbraw/zinc/37/55/75/343375575.db2.gz ZEWCWIZCJWSJFN-ZETCQYMHSA-N 1 1 128.219 0.300 50 0 ACAAMO CN1CCC[NH2+]C(C)(C)C1 62566270 343375614 /nfs/dbraw/zinc/37/56/14/343375614.db2.gz GNFASXVYRCRJLO-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC(C)[C@H]1CNCC[N@H+]1C 62566258 343375710 /nfs/dbraw/zinc/37/57/10/343375710.db2.gz ZLIRFYITEGBFOY-MRVPVSSYSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC(C)[C@H]1C[NH2+]CCN1C 62566258 343375711 /nfs/dbraw/zinc/37/57/11/343375711.db2.gz ZLIRFYITEGBFOY-MRVPVSSYSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC(C)[C@@H]1CNCC[N@H+]1C 62566256 343375733 /nfs/dbraw/zinc/37/57/33/343375733.db2.gz ZLIRFYITEGBFOY-QMMMGPOBSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC(C)[C@@H]1C[NH2+]CCN1C 62566256 343375735 /nfs/dbraw/zinc/37/57/35/343375735.db2.gz ZLIRFYITEGBFOY-QMMMGPOBSA-N 1 1 142.246 0.546 50 0 in-vitro ACAAMO CC1(C)C[N@H+]2CCC[C@H]2CN1 62566297 343375743 /nfs/dbraw/zinc/37/57/43/343375743.db2.gz WWFPGQRZMHDQJL-QMMMGPOBSA-N 1 1 154.257 0.833 50 0 ACAAMO C1CCc2c(nc3n2CC[NH2+]C3)C1 62605455 343376793 /nfs/dbraw/zinc/37/67/93/343376793.db2.gz MPHXLYMLFSCIFW-UHFFFAOYSA-N 1 1 177.251 0.865 50 0 ACAAMO Cc1nc(N)cc(N(C)C)[nH+]1 62715682 343378198 /nfs/dbraw/zinc/37/81/98/343378198.db2.gz DPNVRXQEEAKXSJ-UHFFFAOYSA-N 1 1 152.201 0.433 50 0 ACAAMO CC(C)c1ncc(C[NH3+])[nH]1 62820772 343382832 /nfs/dbraw/zinc/38/28/32/343382832.db2.gz DLICJYJVGOAGEB-UHFFFAOYSA-N 1 1 139.202 0.992 50 0 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/nfs/dbraw/zinc/41/17/47/343411747.db2.gz RNIACYVDRCTKJQ-SECBINFHSA-N 1 1 172.272 0.317 50 0 in-vitro ACAAMO Cc1nonc1C[NH2+][C@H]1CCCOC1 69795260 343442237 /nfs/dbraw/zinc/44/22/37/343442237.db2.gz TZRJVZDADQJYBF-QMMMGPOBSA-N 1 1 197.238 0.647 50 0 ACAAMO Cc1nonc1C[NH2+][C@@H]1CCCOC1 69795258 343442291 /nfs/dbraw/zinc/44/22/91/343442291.db2.gz TZRJVZDADQJYBF-MRVPVSSYSA-N 1 1 197.238 0.647 50 0 ACAAMO CN(C1CC[NH2+]CC1)[C@@H]1CCOC1 70072525 343473713 /nfs/dbraw/zinc/47/37/13/343473713.db2.gz HMJZJSFFKWTYGW-SNVBAGLBSA-N 1 1 184.283 0.459 50 0 ACAAMO CN(C1CC[NH2+]CC1)[C@H]1CCOC1 70072526 343473974 /nfs/dbraw/zinc/47/39/74/343473974.db2.gz HMJZJSFFKWTYGW-JTQLQIEISA-N 1 1 184.283 0.459 50 0 ACAAMO Cc1[nH+]ccn1CCN1CCOCC1 70162785 343476879 /nfs/dbraw/zinc/47/68/79/343476879.db2.gz RBRLSJWKVGCPDH-UHFFFAOYSA-N 1 1 195.266 0.524 50 0 ACAAMO Cc1cnc2n1C[C@H]([NH3+])CC2 70626520 343507109 /nfs/dbraw/zinc/50/71/09/343507109.db2.gz ZIRKZQMHBYDQLA-SSDOTTSWSA-N 1 1 151.213 0.465 50 0 ACAAMO Cc1cnc2n1C[C@@H]([NH3+])CC2 70626521 343507354 /nfs/dbraw/zinc/50/73/54/343507354.db2.gz ZIRKZQMHBYDQLA-ZETCQYMHSA-N 1 1 151.213 0.465 50 0 ACAAMO CC[C@H]1CNCC[N@@H+]1C[C@@H](C)O 71790925 343558774 /nfs/dbraw/zinc/55/87/74/343558774.db2.gz VTDXGKKJBHENSM-BDAKNGLRSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC[C@H]1CNCC[N@H+]1C[C@@H](C)O 71790925 343558777 /nfs/dbraw/zinc/55/87/77/343558777.db2.gz VTDXGKKJBHENSM-BDAKNGLRSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC[C@@H]1CNCC[N@@H+]1C[C@@H](C)O 71790924 343558833 /nfs/dbraw/zinc/55/88/33/343558833.db2.gz VTDXGKKJBHENSM-RKDXNWHRSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC[C@@H]1CNCC[N@H+]1C[C@@H](C)O 71790924 343558836 /nfs/dbraw/zinc/55/88/36/343558836.db2.gz VTDXGKKJBHENSM-RKDXNWHRSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO C[C@@]1([NH3+])CN2CCC1CC2 71864052 343559555 /nfs/dbraw/zinc/55/95/55/343559555.db2.gz PLFBGAXIQJPOEX-MRVPVSSYSA-N 1 1 140.230 0.429 50 0 ACAAMO C[C@]1([NH3+])CN2CCC1CC2 71864051 343559576 /nfs/dbraw/zinc/55/95/76/343559576.db2.gz PLFBGAXIQJPOEX-QMMMGPOBSA-N 1 1 140.230 0.429 50 0 ACAAMO CN1CC[C@@H](C[NH+](C)C)C1 72194210 343560658 /nfs/dbraw/zinc/56/06/58/343560658.db2.gz JUAZDBSPGMXQEN-QMMMGPOBSA-N 1 1 142.246 0.500 50 0 ACAAMO CN(C)C[C@@H]1CC[N@H+](C)C1 72194210 343560662 /nfs/dbraw/zinc/56/06/62/343560662.db2.gz JUAZDBSPGMXQEN-QMMMGPOBSA-N 1 1 142.246 0.500 50 0 ACAAMO CN(C)C[C@@H]1CC[N@@H+](C)C1 72194210 343560664 /nfs/dbraw/zinc/56/06/64/343560664.db2.gz JUAZDBSPGMXQEN-QMMMGPOBSA-N 1 1 142.246 0.500 50 0 ACAAMO CCn1c[nH+]c(N)c1 72193503 343560921 /nfs/dbraw/zinc/56/09/21/343560921.db2.gz DPRMXZQCCDEZAL-UHFFFAOYSA-N 1 1 111.148 0.485 50 0 ACAAMO CN1CC[C@H](C[NH+](C)C)C1 72194209 343560948 /nfs/dbraw/zinc/56/09/48/343560948.db2.gz JUAZDBSPGMXQEN-MRVPVSSYSA-N 1 1 142.246 0.500 50 0 ACAAMO CN(C)C[C@H]1CC[N@H+](C)C1 72194209 343560950 /nfs/dbraw/zinc/56/09/50/343560950.db2.gz JUAZDBSPGMXQEN-MRVPVSSYSA-N 1 1 142.246 0.500 50 0 ACAAMO CN(C)C[C@H]1CC[N@@H+](C)C1 72194209 343560953 /nfs/dbraw/zinc/56/09/53/343560953.db2.gz JUAZDBSPGMXQEN-MRVPVSSYSA-N 1 1 142.246 0.500 50 0 ACAAMO CC[C@H]1[NH2+]CCN(CC)C1=O 82476973 343605324 /nfs/dbraw/zinc/60/53/24/343605324.db2.gz PAJMMWJDTTVBSJ-SSDOTTSWSA-N 1 1 156.229 0.217 50 0 in-vitro ACAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1 72233220 343567263 /nfs/dbraw/zinc/56/72/63/343567263.db2.gz VJSUDAXXXXTREH-IUCAKERBSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO CN1CCN(C[C@@H]2CC[N@H+](C)C2)CC1 72233291 343567309 /nfs/dbraw/zinc/56/73/09/343567309.db2.gz LLHUGXARJKYRNW-LLVKDONJSA-N 1 1 197.326 0.186 50 0 ACAAMO CN1CCN(C[C@@H]2CC[N@@H+](C)C2)CC1 72233291 343567310 /nfs/dbraw/zinc/56/73/10/343567310.db2.gz LLHUGXARJKYRNW-LLVKDONJSA-N 1 1 197.326 0.186 50 0 ACAAMO CCCC[C@H]1CN2C[C@H](O)C[C@H]2C[NH2+]1 72233297 343567549 /nfs/dbraw/zinc/56/75/49/343567549.db2.gz UMCUFNLUPHYNDS-GARJFASQSA-N 1 1 198.310 0.584 50 0 ACAAMO CCCC[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1 72233297 343567547 /nfs/dbraw/zinc/56/75/47/343567547.db2.gz UMCUFNLUPHYNDS-GARJFASQSA-N 1 1 198.310 0.584 50 0 ACAAMO CN1CCN(C[C@H]2CC[N@H+](C)C2)CC1 72233292 343567688 /nfs/dbraw/zinc/56/76/88/343567688.db2.gz LLHUGXARJKYRNW-NSHDSACASA-N 1 1 197.326 0.186 50 0 ACAAMO CN1CCN(C[C@H]2CC[N@@H+](C)C2)CC1 72233292 343567690 /nfs/dbraw/zinc/56/76/90/343567690.db2.gz LLHUGXARJKYRNW-NSHDSACASA-N 1 1 197.326 0.186 50 0 ACAAMO CC(C)[N@H+]1CCC[C@@H]1C(N)=O 74934377 343574753 /nfs/dbraw/zinc/57/47/53/343574753.db2.gz HRJKYJQVBJYEBH-SSDOTTSWSA-N 1 1 156.229 0.345 50 0 ACAAMO C[NH+](C)CC1(N)CC1 74934389 343574896 /nfs/dbraw/zinc/57/48/96/343574896.db2.gz ROVFTSSCUXGEQX-UHFFFAOYSA-N 1 1 114.192 0.039 50 0 in-vitro ACAAMO CC(C)[N@@H+]1C[C@H](C)[C@@H](N)C1 74941865 343574994 /nfs/dbraw/zinc/57/49/94/343574994.db2.gz GUDNKWNWSKSETH-YUMQZZPRSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC(C)[N@H+]1C[C@H](C)[C@@H](N)C1 74941865 343574996 /nfs/dbraw/zinc/57/49/96/343574996.db2.gz GUDNKWNWSKSETH-YUMQZZPRSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N)C1 74941863 343575092 /nfs/dbraw/zinc/57/50/92/343575092.db2.gz GUDNKWNWSKSETH-SFYZADRCSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N)C1 74941863 343575093 /nfs/dbraw/zinc/57/50/93/343575093.db2.gz GUDNKWNWSKSETH-SFYZADRCSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC(C)[N@H+]1CC(=O)[C@@H](C)C1 74942444 343575268 /nfs/dbraw/zinc/57/52/68/343575268.db2.gz MFXZUGAMWWFCLS-ZETCQYMHSA-N 1 1 141.214 0.916 50 0 in-vitro ACAAMO CC(C)[N@@H+]1CC(=O)[C@@H](C)C1 74942444 343575272 /nfs/dbraw/zinc/57/52/72/343575272.db2.gz MFXZUGAMWWFCLS-ZETCQYMHSA-N 1 1 141.214 0.916 50 0 in-vitro ACAAMO C[C@H]1CNc2ccc[nH+]c2N1 74942587 343575453 /nfs/dbraw/zinc/57/54/53/343575453.db2.gz LXLGRFMEIDKBOZ-LURJTMIESA-N 1 1 149.197 0.377 50 0 in-vitro ACAAMO CC(C)[N@H+]1CC(=O)[C@H](C)C1 74942442 343575511 /nfs/dbraw/zinc/57/55/11/343575511.db2.gz MFXZUGAMWWFCLS-SSDOTTSWSA-N 1 1 141.214 0.916 50 0 in-vitro ACAAMO CC(C)[N@@H+]1CC(=O)[C@H](C)C1 74942442 343575513 /nfs/dbraw/zinc/57/55/13/343575513.db2.gz MFXZUGAMWWFCLS-SSDOTTSWSA-N 1 1 141.214 0.916 50 0 in-vitro ACAAMO [NH3+]CC(=O)c1ncccc1Cl 75085496 343575562 /nfs/dbraw/zinc/57/55/62/343575562.db2.gz YMHPLCLKPDZCNM-UHFFFAOYSA-N 1 1 170.599 0.876 50 0 in-vitro ACAAMO CC1(C)C[C@@H]([NH3+])C(=O)O1 75523267 343577429 /nfs/dbraw/zinc/57/74/29/343577429.db2.gz NKBJBYZRMNUGPF-SCSAIBSYSA-N 1 1 129.159 0.039 50 0 in-vitro ACAAMO CC1(C)C[C@H]([NH3+])C(=O)O1 75523266 343577460 /nfs/dbraw/zinc/57/74/60/343577460.db2.gz NKBJBYZRMNUGPF-BYPYZUCNSA-N 1 1 129.159 0.039 50 0 in-vitro ACAAMO Cc1cncc(NN)[nH+]1 75759764 343578277 /nfs/dbraw/zinc/57/82/77/343578277.db2.gz AATYMXZXBKVLJW-UHFFFAOYSA-N 1 1 124.147 0.071 50 0 ACAAMO Cc1[nH]c2c([nH+]1)CC[C@@H](O)C2 76089131 343579381 /nfs/dbraw/zinc/57/93/81/343579381.db2.gz XTTARHVPODFWRD-ZCFIWIBFSA-N 1 1 152.197 0.568 50 0 ACAAMO Cc1[nH]c2c([nH+]1)CC[C@H](O)C2 76089135 343579415 /nfs/dbraw/zinc/57/94/15/343579415.db2.gz XTTARHVPODFWRD-LURJTMIESA-N 1 1 152.197 0.568 50 0 ACAAMO C[N@@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 76591011 343580162 /nfs/dbraw/zinc/58/01/62/343580162.db2.gz PKBWQDVUWRDPSL-YIZRAAEISA-N 1 1 155.241 0.709 50 0 ACAAMO Cc1noc(C2([NH3+])CC2)n1 79387574 343587129 /nfs/dbraw/zinc/58/71/29/343587129.db2.gz FMHSWVAWPDYUJH-UHFFFAOYSA-N 1 1 139.158 0.326 50 0 ACAAMO Cc1n[nH+]ccc1N 79720199 343590013 /nfs/dbraw/zinc/59/00/13/343590013.db2.gz JFCCKHKTRIBJEM-UHFFFAOYSA-N 1 1 109.132 0.367 50 0 in-vitro ACAAMO C[N@H+]1CC[C@@H](CCO)C1 81914588 343594614 /nfs/dbraw/zinc/59/46/14/343594614.db2.gz HRVHWDLLWKMHNT-ZETCQYMHSA-N 1 1 129.203 0.321 50 0 in-vitro ACAAMO CC(C)NC(=O)[C@H]1CCC[N@@H+](C)C1 82298807 343597867 /nfs/dbraw/zinc/59/78/67/343597867.db2.gz CXNLLCQUPVKEBU-VIFPVBQESA-N 1 1 184.283 0.853 50 0 ACAAMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C)C1 82298805 343598043 /nfs/dbraw/zinc/59/80/43/343598043.db2.gz CXNLLCQUPVKEBU-SECBINFHSA-N 1 1 184.283 0.853 50 0 ACAAMO Cc1n[nH]c(C)c1[C@H]1COCC[NH2+]1 82395792 343600578 /nfs/dbraw/zinc/60/05/78/343600578.db2.gz OOFRPEDNTOJVQY-MRVPVSSYSA-N 1 1 181.239 0.687 50 0 in-vitro ACAAMO Cc1n[nH]c(C)c1[C@@H]1COCC[NH2+]1 82395791 343600694 /nfs/dbraw/zinc/60/06/94/343600694.db2.gz OOFRPEDNTOJVQY-QMMMGPOBSA-N 1 1 181.239 0.687 50 0 in-vitro ACAAMO CC[C@@H]1CN(C)CCC[NH2+]1 82409573 343602282 /nfs/dbraw/zinc/60/22/82/343602282.db2.gz GQRSANGDSYJTQN-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO Cc1c[nH]c2nc(N)[nH+]cc12 82408760 343602609 /nfs/dbraw/zinc/60/26/09/343602609.db2.gz DFMGBBJDTRQVNA-UHFFFAOYSA-N 1 1 148.169 0.849 50 0 ACAAMO CC[C@H]1CN(C)CCC[NH2+]1 82409574 343602645 /nfs/dbraw/zinc/60/26/45/343602645.db2.gz GQRSANGDSYJTQN-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 in-vitro ACAAMO CC[C@@H]1C[N@@H+](C)CCN1 82411193 343603290 /nfs/dbraw/zinc/60/32/90/343603290.db2.gz KZKZKKVCUTUIPF-SSDOTTSWSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CN1CC[C@H]([NH3+])C1(C)C 82411196 343602964 /nfs/dbraw/zinc/60/29/64/343602964.db2.gz XKXMIYMWONOXEY-LURJTMIESA-N 1 1 128.219 0.428 50 0 ACAAMO C[N@@H+]1CC[C@H](N)C1(C)C 82411196 343602966 /nfs/dbraw/zinc/60/29/66/343602966.db2.gz XKXMIYMWONOXEY-LURJTMIESA-N 1 1 128.219 0.428 50 0 ACAAMO C[N@H+]1CC[C@H](N)C1(C)C 82411196 343602968 /nfs/dbraw/zinc/60/29/68/343602968.db2.gz XKXMIYMWONOXEY-LURJTMIESA-N 1 1 128.219 0.428 50 0 ACAAMO CCc1cnc(C[NH3+])o1 82411399 343602974 /nfs/dbraw/zinc/60/29/74/343602974.db2.gz GJSWFDUSJRZKEG-UHFFFAOYSA-N 1 1 126.159 0.696 50 0 ACAAMO CC[C@@H]1C[N@H+](C)CCN1 82411193 343603289 /nfs/dbraw/zinc/60/32/89/343603289.db2.gz KZKZKKVCUTUIPF-SSDOTTSWSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CN1CC[C@@H]([NH3+])C1(C)C 82411195 343603301 /nfs/dbraw/zinc/60/33/01/343603301.db2.gz XKXMIYMWONOXEY-ZCFIWIBFSA-N 1 1 128.219 0.428 50 0 ACAAMO C[N@@H+]1CC[C@@H](N)C1(C)C 82411195 343603302 /nfs/dbraw/zinc/60/33/02/343603302.db2.gz XKXMIYMWONOXEY-ZCFIWIBFSA-N 1 1 128.219 0.428 50 0 ACAAMO C[N@H+]1CC[C@@H](N)C1(C)C 82411195 343603304 /nfs/dbraw/zinc/60/33/04/343603304.db2.gz XKXMIYMWONOXEY-ZCFIWIBFSA-N 1 1 128.219 0.428 50 0 ACAAMO CC[C@H]1C[N@H+](C)CCN1 82411194 343603308 /nfs/dbraw/zinc/60/33/08/343603308.db2.gz KZKZKKVCUTUIPF-ZETCQYMHSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC[C@H]1C[N@@H+](C)CCN1 82411194 343603310 /nfs/dbraw/zinc/60/33/10/343603310.db2.gz KZKZKKVCUTUIPF-ZETCQYMHSA-N 1 1 128.219 0.300 50 0 in-vitro ACAAMO CC[C@@H]1[NH2+]CCN(CC)C1=O 82476974 343605158 /nfs/dbraw/zinc/60/51/58/343605158.db2.gz PAJMMWJDTTVBSJ-ZETCQYMHSA-N 1 1 156.229 0.217 50 0 in-vitro ACAAMO Cc1coc(C[NH3+])n1 82522221 343605848 /nfs/dbraw/zinc/60/58/48/343605848.db2.gz XPSASGPURGEDTD-UHFFFAOYSA-N 1 1 112.132 0.442 50 0 ACAAMO C[N@H+](CCN)C[C@@H]1CCCOC1 82544168 343606315 /nfs/dbraw/zinc/60/63/15/343606315.db2.gz CRADUACUUSULKX-VIFPVBQESA-N 1 1 172.272 0.304 50 0 ACAAMO C[N@@H+](CCN)C[C@@H]1CCCOC1 82544168 343606318 /nfs/dbraw/zinc/60/63/18/343606318.db2.gz CRADUACUUSULKX-VIFPVBQESA-N 1 1 172.272 0.304 50 0 ACAAMO C[N@H+](CCN)C[C@H]1CCCOC1 82544169 343606401 /nfs/dbraw/zinc/60/64/01/343606401.db2.gz CRADUACUUSULKX-SECBINFHSA-N 1 1 172.272 0.304 50 0 ACAAMO C[N@@H+](CCN)C[C@H]1CCCOC1 82544169 343606403 /nfs/dbraw/zinc/60/64/03/343606403.db2.gz CRADUACUUSULKX-SECBINFHSA-N 1 1 172.272 0.304 50 0 ACAAMO CC1(C)CC[N@@H+](CCN)C1 82707694 343610966 /nfs/dbraw/zinc/61/09/66/343610966.db2.gz UOLFIRYVZLZHDX-UHFFFAOYSA-N 1 1 142.246 0.677 50 0 ACAAMO CC1(C)CCN(CC[NH3+])C1 82707694 343610968 /nfs/dbraw/zinc/61/09/68/343610968.db2.gz UOLFIRYVZLZHDX-UHFFFAOYSA-N 1 1 142.246 0.677 50 0 ACAAMO C[N@@H+]1CCNC[C@@H]1C(C)(C)C 82845673 343613555 /nfs/dbraw/zinc/61/35/55/343613555.db2.gz ZKUOKKDZVODPCK-MRVPVSSYSA-N 1 1 156.273 0.936 50 0 ACAAMO C[N@H+]1CCNC[C@@H]1C(C)(C)C 82845673 343613557 /nfs/dbraw/zinc/61/35/57/343613557.db2.gz ZKUOKKDZVODPCK-MRVPVSSYSA-N 1 1 156.273 0.936 50 0 ACAAMO C[N@@H+]1CCNC[C@H]1C(C)(C)C 82845671 343613570 /nfs/dbraw/zinc/61/35/70/343613570.db2.gz ZKUOKKDZVODPCK-QMMMGPOBSA-N 1 1 156.273 0.936 50 0 ACAAMO C[N@H+]1CCNC[C@H]1C(C)(C)C 82845671 343613572 /nfs/dbraw/zinc/61/35/72/343613572.db2.gz ZKUOKKDZVODPCK-QMMMGPOBSA-N 1 1 156.273 0.936 50 0 ACAAMO CC[C@H]1C[N@H+](CC)CCN1 82925145 343614948 /nfs/dbraw/zinc/61/49/48/343614948.db2.gz UZOVIHCILYKHPQ-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[C@H]1C[N@@H+](CC)CCN1 82925145 343614950 /nfs/dbraw/zinc/61/49/50/343614950.db2.gz UZOVIHCILYKHPQ-QMMMGPOBSA-N 1 1 142.246 0.690 50 0 ACAAMO Cc1nn(C)c(C)c1[C@H]1COCC[NH2+]1 82914825 343615260 /nfs/dbraw/zinc/61/52/60/343615260.db2.gz COPZBDLYLMQFFO-SECBINFHSA-N 1 1 195.266 0.698 50 0 in-vitro ACAAMO CC[C@@H]1C[N@H+](CC)CCN1 82925144 343615266 /nfs/dbraw/zinc/61/52/66/343615266.db2.gz UZOVIHCILYKHPQ-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CC[C@@H]1C[N@@H+](CC)CCN1 82925144 343615268 /nfs/dbraw/zinc/61/52/68/343615268.db2.gz UZOVIHCILYKHPQ-MRVPVSSYSA-N 1 1 142.246 0.690 50 0 ACAAMO CCCCOC(=O)[C@@]1([NH3+])CCOC1 82963110 343615580 /nfs/dbraw/zinc/61/55/80/343615580.db2.gz WLXZWNOGIHHQBQ-SECBINFHSA-N 1 1 187.239 0.448 50 0 in-vitro ACAAMO CCCCOC(=O)[C@]1([NH3+])CCOC1 82963109 343615676 /nfs/dbraw/zinc/61/56/76/343615676.db2.gz WLXZWNOGIHHQBQ-VIFPVBQESA-N 1 1 187.239 0.448 50 0 in-vitro ACAAMO C[C@H]1CNC2(CCCC2)C[NH2+]1 82960609 343615718 /nfs/dbraw/zinc/61/57/18/343615718.db2.gz LWYOOVDJHYJCFH-QMMMGPOBSA-N 1 1 154.257 0.881 50 0 ACAAMO C[C@H]1C[N@H+](C2CCOCC2)CCN1 83060842 343616664 /nfs/dbraw/zinc/61/66/64/343616664.db2.gz WMSMHECRTQDPAK-VIFPVBQESA-N 1 1 184.283 0.459 50 0 in-vitro ACAAMO C[C@H]1CN(C2CCOCC2)CC[NH2+]1 83060842 343616666 /nfs/dbraw/zinc/61/66/66/343616666.db2.gz WMSMHECRTQDPAK-VIFPVBQESA-N 1 1 184.283 0.459 50 0 in-vitro ACAAMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1 83271545 343618358 /nfs/dbraw/zinc/61/83/58/343618358.db2.gz GWIBYLUSICZUEF-DTWKUNHWSA-N 1 1 170.256 0.069 50 0 ACAAMO CN1CCC[C@@H]1[C@@H]1COCC[NH2+]1 83271545 343618360 /nfs/dbraw/zinc/61/83/60/343618360.db2.gz GWIBYLUSICZUEF-DTWKUNHWSA-N 1 1 170.256 0.069 50 0 ACAAMO C[N@H+]1C[C@H]2CCC(=O)C[C@@H]2C1 83268442 343618368 /nfs/dbraw/zinc/61/83/68/343618368.db2.gz MVEQRJSCNVLNHY-HTQZYQBOSA-N 1 1 153.225 0.917 50 0 ACAAMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1 83271546 343618391 /nfs/dbraw/zinc/61/83/91/343618391.db2.gz GWIBYLUSICZUEF-IUCAKERBSA-N 1 1 170.256 0.069 50 0 ACAAMO CN1CCC[C@H]1[C@@H]1COCC[NH2+]1 83271546 343618393 /nfs/dbraw/zinc/61/83/93/343618393.db2.gz GWIBYLUSICZUEF-IUCAKERBSA-N 1 1 170.256 0.069 50 0 ACAAMO C[N@@H+]1C[C@H]2CC(=O)CC[C@H]2C1 83268441 343618428 /nfs/dbraw/zinc/61/84/28/343618428.db2.gz MVEQRJSCNVLNHY-JGVFFNPUSA-N 1 1 153.225 0.917 50 0 ACAAMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1 83814852 343624523 /nfs/dbraw/zinc/62/45/23/343624523.db2.gz OIQQKFXQWQDNNL-QMMMGPOBSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1 83814852 343624525 /nfs/dbraw/zinc/62/45/25/343624525.db2.gz OIQQKFXQWQDNNL-QMMMGPOBSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC1(O)CCN(C2CC[NH2+]CC2)CC1 83824357 343625139 /nfs/dbraw/zinc/62/51/39/343625139.db2.gz GAFCCFSRWSVRLG-UHFFFAOYSA-N 1 1 198.310 0.585 50 0 ACAAMO C[N@H+]1CC[C@H](CCO)C1 84285381 343633048 /nfs/dbraw/zinc/63/30/48/343633048.db2.gz HRVHWDLLWKMHNT-SSDOTTSWSA-N 1 1 129.203 0.321 50 0 in-vitro ACAAMO CCc1[nH]cc[nH+]1 84843279 343637950 /nfs/dbraw/zinc/63/79/50/343637950.db2.gz PQAMFDRRWURCFQ-UHFFFAOYSA-N 1 1 96.133 0.972 50 0 in-vitro ACAAMO CN(CC[NH3+])C1CCCC1 90225610 343675092 /nfs/dbraw/zinc/67/50/92/343675092.db2.gz YUGHUGYCOBWRDH-UHFFFAOYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO Cc1cccc2c1NC(=O)[C@@H]2[NH3+] 85588031 343645373 /nfs/dbraw/zinc/64/53/73/343645373.db2.gz KAOBWWMVOBYGHK-SSDOTTSWSA-N 1 1 162.192 0.947 50 0 in-vitro ACAAMO C[N@H+](CC1CC1)C1CC(N)C1 87653290 343662737 /nfs/dbraw/zinc/66/27/37/343662737.db2.gz SJXZWUVLKSKQLK-UHFFFAOYSA-N 1 1 154.257 0.818 50 0 ACAAMO C[N@@H+](CC1CC1)C1CC(N)C1 87653290 343662739 /nfs/dbraw/zinc/66/27/39/343662739.db2.gz SJXZWUVLKSKQLK-UHFFFAOYSA-N 1 1 154.257 0.818 50 0 ACAAMO CN(CC1CC1)C1CC([NH3+])C1 87653290 343662740 /nfs/dbraw/zinc/66/27/40/343662740.db2.gz SJXZWUVLKSKQLK-UHFFFAOYSA-N 1 1 154.257 0.818 50 0 ACAAMO O[C@@H]1CCC[N@@H+](CCCF)C1 88026785 343666555 /nfs/dbraw/zinc/66/65/55/343666555.db2.gz DKXDHPPEQGKVTR-MRVPVSSYSA-N 1 1 161.220 0.803 50 0 ACAAMO OC1C[NH+](CCCF)C1 88026817 343666589 /nfs/dbraw/zinc/66/65/89/343666589.db2.gz DVDFXJUKLOZIIX-UHFFFAOYSA-N 1 1 133.166 0.023 50 0 ACAAMO O[C@H]1CC[N@@H+](CCCF)C1 88026816 343666611 /nfs/dbraw/zinc/66/66/11/343666611.db2.gz FQSJNYSAZLPSBQ-ZETCQYMHSA-N 1 1 147.193 0.413 50 0 ACAAMO O[C@@H]1CC[N@@H+](CCCF)C1 88026815 343666668 /nfs/dbraw/zinc/66/66/68/343666668.db2.gz FQSJNYSAZLPSBQ-SSDOTTSWSA-N 1 1 147.193 0.413 50 0 ACAAMO O[C@H]1CCC[N@@H+](CCCF)C1 88026784 343666880 /nfs/dbraw/zinc/66/68/80/343666880.db2.gz DKXDHPPEQGKVTR-QMMMGPOBSA-N 1 1 161.220 0.803 50 0 ACAAMO CN1CC[C@]2(CC[NH2+]C2)C1 88248171 343669436 /nfs/dbraw/zinc/66/94/36/343669436.db2.gz OQHQOOLVQDEIGL-QMMMGPOBSA-N 1 1 140.230 0.302 50 0 in-vitro ACAAMO CN1CC[C@@]2(CC[NH2+]C2)C1 88248173 343669791 /nfs/dbraw/zinc/66/97/91/343669791.db2.gz OQHQOOLVQDEIGL-MRVPVSSYSA-N 1 1 140.230 0.302 50 0 in-vitro ACAAMO C[C@H]1[C@@H](C)NCC[N@@H+]1C 88613845 343671580 /nfs/dbraw/zinc/67/15/80/343671580.db2.gz GWTSFWMDTLOQTC-RQJHMYQMSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@H]1[C@@H](C)NCC[N@H+]1C 88613845 343671583 /nfs/dbraw/zinc/67/15/83/343671583.db2.gz GWTSFWMDTLOQTC-RQJHMYQMSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO CC[C@@]1(CO)CCC[N@H+]1C 88613733 343671784 /nfs/dbraw/zinc/67/17/84/343671784.db2.gz ONCQZLDVYRIZII-QMMMGPOBSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO CC[C@]1(CO)CCC[N@H+]1C 88613732 343671820 /nfs/dbraw/zinc/67/18/20/343671820.db2.gz ONCQZLDVYRIZII-MRVPVSSYSA-N 1 1 143.230 0.853 50 0 in-vitro ACAAMO C[C@H]1NCC[N@H+](C)[C@@H]1C 88613847 343671825 /nfs/dbraw/zinc/67/18/25/343671825.db2.gz GWTSFWMDTLOQTC-RNFRBKRXSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@H]1NCC[N@@H+](C)[C@@H]1C 88613847 343671826 /nfs/dbraw/zinc/67/18/26/343671826.db2.gz GWTSFWMDTLOQTC-RNFRBKRXSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[NH+](C)CCNCc1ccncc1 90225615 343675061 /nfs/dbraw/zinc/67/50/61/343675061.db2.gz QQSDZNWIOXPTLT-UHFFFAOYSA-N 1 1 179.267 0.733 50 0 in-vitro ACAAMO C[N@@H+](CCN)C1CCCC1 90225610 343675090 /nfs/dbraw/zinc/67/50/90/343675090.db2.gz YUGHUGYCOBWRDH-UHFFFAOYSA-N 1 1 142.246 0.820 50 0 in-vitro ACAAMO C[NH+](C)CCNCc1ccccn1 90225624 343675114 /nfs/dbraw/zinc/67/51/14/343675114.db2.gz DBEIHURZAFSRSR-UHFFFAOYSA-N 1 1 179.267 0.733 50 0 in-vitro ACAAMO CN(C(=O)[C@@H]1CSC[NH2+]1)C1CC1 93405418 343678376 /nfs/dbraw/zinc/67/83/76/343678376.db2.gz AYWOKIPLGSOBHE-ZETCQYMHSA-N 1 1 186.280 0.270 50 0 in-vitro ACAAMO CN(C(=O)[C@H]1CSC[NH2+]1)C1CC1 93405419 343678588 /nfs/dbraw/zinc/67/85/88/343678588.db2.gz AYWOKIPLGSOBHE-SSDOTTSWSA-N 1 1 186.280 0.270 50 0 in-vitro ACAAMO CN(C)[C@@H]1CCCC[C@@H]1[NH3+] 95079626 343679448 /nfs/dbraw/zinc/67/94/48/343679448.db2.gz FRDZGSBXKJXGNR-JGVFFNPUSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CN(C)[C@H]1CCCC[C@@H]1[NH3+] 95079627 343679539 /nfs/dbraw/zinc/67/95/39/343679539.db2.gz FRDZGSBXKJXGNR-YUMQZZPRSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CN(C)[C@@H]1CCCC[C@H]1[NH3+] 95079628 343679656 /nfs/dbraw/zinc/67/96/56/343679656.db2.gz FRDZGSBXKJXGNR-HTQZYQBOSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO CN(C)[C@H]1CCCC[C@H]1[NH3+] 95079629 343679679 /nfs/dbraw/zinc/67/96/79/343679679.db2.gz FRDZGSBXKJXGNR-SFYZADRCSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO C[NH+](C)CCNCc1cccnc1 95212895 343682374 /nfs/dbraw/zinc/68/23/74/343682374.db2.gz XYGQVQONQGFXFY-UHFFFAOYSA-N 1 1 179.267 0.733 50 0 in-vitro ACAAMO CN(C)c1ccc[nH+]c1N 95348334 343683058 /nfs/dbraw/zinc/68/30/58/343683058.db2.gz JGTFSJOQKAWRQH-UHFFFAOYSA-N 1 1 137.186 0.730 50 0 in-vitro ACAAMO CC(C)[N@H+]1CCC[C@@H]1CN 95346837 343683344 /nfs/dbraw/zinc/68/33/44/343683344.db2.gz GDRVIRMOAGAAGC-MRVPVSSYSA-N 1 1 142.246 0.818 50 0 in-vitro ACAAMO C[NH+](C)C1(C)CCNCC1 95627265 343684426 /nfs/dbraw/zinc/68/44/26/343684426.db2.gz KAFVUPUKCZHWJJ-UHFFFAOYSA-N 1 1 142.246 0.690 50 0 ACAAMO C[N@@H+]1[C@H]2CCC[C@@H]1C[C@@H]2O 95743025 343687100 /nfs/dbraw/zinc/68/71/00/343687100.db2.gz PZPVPVJLCPBGRW-CSMHCCOUSA-N 1 1 141.214 0.604 50 0 ACAAMO C[C@H](N)[C@H]([NH3+])[C@H](O)c1ccccc1 95832411 343688689 /nfs/dbraw/zinc/68/86/89/343688689.db2.gz DOMCJUZJXSQPNU-UJNFCWOMSA-N 1 1 180.251 0.395 50 0 ACAAMO C[C@H](N)[C@@H]([NH3+])[C@H](O)c1ccccc1 95832413 343688800 /nfs/dbraw/zinc/68/88/00/343688800.db2.gz DOMCJUZJXSQPNU-FXBDTBDDSA-N 1 1 180.251 0.395 50 0 ACAAMO CCCCOC(=O)[C@H](C)[NH3+] 95939087 343692135 /nfs/dbraw/zinc/69/21/35/343692135.db2.gz RJJXSCQQRYCPLW-LURJTMIESA-N 1 1 145.202 0.677 50 0 in-vitro ACAAMO CN(C)c1noc([C@H]2CCCC[NH2+]2)n1 95942569 343692290 /nfs/dbraw/zinc/69/22/90/343692290.db2.gz VGYKHCPHMTWKCE-SSDOTTSWSA-N 1 1 196.254 0.950 50 0 in-vitro ACAAMO CN(C)c1noc([C@@H]2CCCC[NH2+]2)n1 95942568 343692438 /nfs/dbraw/zinc/69/24/38/343692438.db2.gz VGYKHCPHMTWKCE-ZETCQYMHSA-N 1 1 196.254 0.950 50 0 in-vitro ACAAMO CCCCOC(=O)[C@@H](C)[NH3+] 95939086 343692452 /nfs/dbraw/zinc/69/24/52/343692452.db2.gz RJJXSCQQRYCPLW-ZCFIWIBFSA-N 1 1 145.202 0.677 50 0 ACAAMO CC(C)OC(=O)[C@@H](C)[NH3+] 96094087 343694451 /nfs/dbraw/zinc/69/44/51/343694451.db2.gz QDQVXVRZVCTVHE-RXMQYKEDSA-N 1 1 131.175 0.285 50 0 ACAAMO CCCN(C)C(=O)[C@H]1CSC[NH2+]1 96301094 343695435 /nfs/dbraw/zinc/69/54/35/343695435.db2.gz RQLLSUVQTLENGB-SSDOTTSWSA-N 1 1 188.296 0.517 50 0 ACAAMO CCn1cc(C(=O)C[NH3+])cn1 96525739 343698953 /nfs/dbraw/zinc/69/89/53/343698953.db2.gz XOLQBQKRBXQDNP-UHFFFAOYSA-N 1 1 153.185 0.044 50 0 in-vitro ACAAMO CCC12CN3CC[N@@H+](CC(C3)C1=O)C2 96905016 343701273 /nfs/dbraw/zinc/70/12/73/343701273.db2.gz UUKFJOGVNIJILH-UHFFFAOYSA-N 1 1 194.278 0.213 50 0 in-vitro ACAAMO C[C@H]1C[C@@H]1C[N@@H+](C)CC(=O)N(C)C 97105592 343701893 /nfs/dbraw/zinc/70/18/93/343701893.db2.gz AVIRGOOLHIXTQY-DTWKUNHWSA-N 1 1 184.283 0.662 50 0 ACAAMO C[C@H]1C[C@H]1C[N@@H+](C)CC(=O)N(C)C 97105595 343701935 /nfs/dbraw/zinc/70/19/35/343701935.db2.gz AVIRGOOLHIXTQY-IUCAKERBSA-N 1 1 184.283 0.662 50 0 ACAAMO C[C@H]([NH3+])C(=O)OC1CCCC1 97922848 343704385 /nfs/dbraw/zinc/70/43/85/343704385.db2.gz GGCMOWHTLXAHMJ-LURJTMIESA-N 1 1 157.213 0.819 50 0 ACAAMO C[C@H]1CC[N@@H+](CCN)C[C@@H]1C 98095708 343705474 /nfs/dbraw/zinc/70/54/74/343705474.db2.gz XNFAUIBXZFTKBP-IUCAKERBSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO C[C@H]1CCN(CC[NH3+])C[C@@H]1C 98095708 343705476 /nfs/dbraw/zinc/70/54/76/343705476.db2.gz XNFAUIBXZFTKBP-IUCAKERBSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO C[N@H+]1[C@H]2CC[C@@H]1C[C@H](O)C2 100007346 343708248 /nfs/dbraw/zinc/70/82/48/343708248.db2.gz CYHOMWAPJJPNMW-JIGDXULJSA-N 1 1 141.214 0.604 50 0 biogenic,in-vivo ACAAMO C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](O)C2 100019971 343708994 /nfs/dbraw/zinc/70/89/94/343708994.db2.gz CYHOMWAPJJPNMW-RNLVFQAGSA-N 1 1 141.214 0.604 50 0 biogenic,in-vivo ACAAMO Cc1cccc2c1N(C)C(=O)[C@H]2[NH3+] 100094759 343710903 /nfs/dbraw/zinc/71/09/03/343710903.db2.gz HGQLMLMRKXWVJO-QMMMGPOBSA-N 1 1 176.219 0.971 50 0 in-vitro ACAAMO Cc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2 100133896 343711573 /nfs/dbraw/zinc/71/15/73/343711573.db2.gz FUHGCDMBTBHYJA-MRVPVSSYSA-N 1 1 162.192 0.947 50 0 in-vitro ACAAMO C[N@H+]1C[C@@H]2CCC[C@H](C1)[C@H]2O 100140867 343711759 /nfs/dbraw/zinc/71/17/59/343711759.db2.gz GTSORJFWHKEXQH-AYMMMOKOSA-N 1 1 155.241 0.709 50 0 ACAAMO CC1=NN(c2ccccc2)C(=O)[C@@H]1[NH3+] 100165671 343712117 /nfs/dbraw/zinc/71/21/17/343712117.db2.gz IOTZAKSXYYYPKL-SECBINFHSA-N 1 1 189.218 0.736 50 0 ACAAMO Cc1cccc2c1[C@@H]([NH3+])C(=O)N2 100287409 343714759 /nfs/dbraw/zinc/71/47/59/343714759.db2.gz DXMQUOQQGLIRSR-MRVPVSSYSA-N 1 1 162.192 0.947 50 0 in-vitro ACAAMO Cc1[nH+]ccn1C[C@@H](C)O 100441954 343716990 /nfs/dbraw/zinc/71/69/90/343716990.db2.gz VUFBCWUJICCKDU-ZCFIWIBFSA-N 1 1 140.186 0.572 50 0 in-vitro ACAAMO Cc1[nH+]ccn1C[C@H](C)O 100441956 343716999 /nfs/dbraw/zinc/71/69/99/343716999.db2.gz VUFBCWUJICCKDU-LURJTMIESA-N 1 1 140.186 0.572 50 0 in-vitro ACAAMO Cc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2C 100494848 343717852 /nfs/dbraw/zinc/71/78/52/343717852.db2.gz MIHVXRGWIJOXCB-SECBINFHSA-N 1 1 176.219 0.971 50 0 in-vitro ACAAMO CN1CCN(C2=CC[N@H+](C)CC2)CC1 100911975 343721110 /nfs/dbraw/zinc/72/11/10/343721110.db2.gz KKKIRHHSASWSGN-UHFFFAOYSA-N 1 1 195.310 0.453 50 0 ACAAMO CN1CCN(C2=CC[N@@H+](C)CC2)CC1 100911975 343721112 /nfs/dbraw/zinc/72/11/12/343721112.db2.gz KKKIRHHSASWSGN-UHFFFAOYSA-N 1 1 195.310 0.453 50 0 ACAAMO C[N@H+]1CC(C(N)=S)=C(N)C1(C)C 101101010 343722539 /nfs/dbraw/zinc/72/25/39/343722539.db2.gz KXYANZQOMCFPHS-UHFFFAOYSA-N 1 1 185.296 0.209 50 0 ACAAMO N[C@@H]1CC[N@@H+]2CCCC[C@H]12 101266571 343723167 /nfs/dbraw/zinc/72/31/67/343723167.db2.gz RBFAPBHHGYLKEK-HTQZYQBOSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@@H]1CC[N@H+]2CCCC[C@H]12 101266571 343723168 /nfs/dbraw/zinc/72/31/68/343723168.db2.gz RBFAPBHHGYLKEK-HTQZYQBOSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@H]1CC[N@@H+]2CCCC[C@H]12 101266573 343723189 /nfs/dbraw/zinc/72/31/89/343723189.db2.gz RBFAPBHHGYLKEK-JGVFFNPUSA-N 1 1 140.230 0.572 50 0 ACAAMO N[C@H]1CC[N@H+]2CCCC[C@H]12 101266573 343723191 /nfs/dbraw/zinc/72/31/91/343723191.db2.gz RBFAPBHHGYLKEK-JGVFFNPUSA-N 1 1 140.230 0.572 50 0 ACAAMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1 101418930 343723554 /nfs/dbraw/zinc/72/35/54/343723554.db2.gz NFFVWTLRGWWYDK-BDAKNGLRSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1 101418930 343723555 /nfs/dbraw/zinc/72/35/55/343723555.db2.gz NFFVWTLRGWWYDK-BDAKNGLRSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1 101418927 343723668 /nfs/dbraw/zinc/72/36/68/343723668.db2.gz NFFVWTLRGWWYDK-IUCAKERBSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1 101418927 343723669 /nfs/dbraw/zinc/72/36/69/343723669.db2.gz NFFVWTLRGWWYDK-IUCAKERBSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO CC[C@H]1CNCC[N@@H+]1C[C@H](C)O 101514104 343724090 /nfs/dbraw/zinc/72/40/90/343724090.db2.gz VTDXGKKJBHENSM-IUCAKERBSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC[C@H]1CNCC[N@H+]1C[C@H](C)O 101514104 343724093 /nfs/dbraw/zinc/72/40/93/343724093.db2.gz VTDXGKKJBHENSM-IUCAKERBSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1 101527918 343724233 /nfs/dbraw/zinc/72/42/33/343724233.db2.gz VJSUDAXXXXTREH-BDAKNGLRSA-N 1 1 154.257 0.833 50 0 in-vitro ACAAMO CC[C@@H]1CNCC[N@@H+]1C[C@H](C)O 101514100 343724242 /nfs/dbraw/zinc/72/42/42/343724242.db2.gz VTDXGKKJBHENSM-DTWKUNHWSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC[C@@H]1CNCC[N@H+]1C[C@H](C)O 101514100 343724244 /nfs/dbraw/zinc/72/42/44/343724244.db2.gz VTDXGKKJBHENSM-DTWKUNHWSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1N 101662112 343724950 /nfs/dbraw/zinc/72/49/50/343724950.db2.gz KJSCOXHVQCIXQY-POYBYMJQSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[C@H]1C[N@H+](C2CC2)C[C@H]1N 101662112 343724951 /nfs/dbraw/zinc/72/49/51/343724951.db2.gz KJSCOXHVQCIXQY-POYBYMJQSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[N@@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 102205409 343725613 /nfs/dbraw/zinc/72/56/13/343725613.db2.gz PKBWQDVUWRDPSL-DJLDLDEBSA-N 1 1 155.241 0.709 50 0 ACAAMO CC[C@H]1C[C@]1([NH3+])C(=O)OC 104634340 343734037 /nfs/dbraw/zinc/73/40/37/343734037.db2.gz OGJFOUDGUGGQPA-CAHLUQPWSA-N 1 1 143.186 0.287 50 0 ACAAMO C[C@H](CO)c1[nH]cc[nH+]1 113999585 343760916 /nfs/dbraw/zinc/76/09/16/343760916.db2.gz PRQKWQBYKJQGJS-RXMQYKEDSA-N 1 1 126.159 0.506 50 0 ACAAMO C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 117725896 343773463 /nfs/dbraw/zinc/77/34/63/343773463.db2.gz APQINZAHFHXIRJ-JGVFFNPUSA-N 1 1 140.230 0.300 50 0 in-vitro ACAAMO C[N@@H+]1C=CC(C(=N)N=O)=CC1 136734045 343982008 /nfs/dbraw/zinc/98/20/08/343982008.db2.gz BVLDWRPCNYXDJU-UHFFFAOYSA-N 1 1 151.169 0.896 50 0 ACAAMO C[N@H+]1CCc2cc(N)cnc2C1 142446933 344012486 /nfs/dbraw/zinc/01/24/86/344012486.db2.gz OXZWBYUGWKXVOG-UHFFFAOYSA-N 1 1 163.224 0.652 50 0 ACAAMO CC[N@H+]1CC[C@@H]1CO 143268722 344017674 /nfs/dbraw/zinc/01/76/74/344017674.db2.gz CFRRLXPXVFVIGU-ZCFIWIBFSA-N 1 1 115.176 0.073 50 0 ACAAMO CC[N@H+]1CC[C@H]1CO 143268928 344017991 /nfs/dbraw/zinc/01/79/91/344017991.db2.gz CFRRLXPXVFVIGU-LURJTMIESA-N 1 1 115.176 0.073 50 0 ACAAMO C[N@H+]1C[C@@H]2CCC[C@H](C1)[C@@H]2O 146986866 344043315 /nfs/dbraw/zinc/04/33/15/344043315.db2.gz GTSORJFWHKEXQH-BRPSZJMVSA-N 1 1 155.241 0.709 50 0 ACAAMO CC(C)[N@H+]1C[C@H](C)[C@H]([NH3+])C1 147349942 344043681 /nfs/dbraw/zinc/04/36/81/344043681.db2.gz GUDNKWNWSKSETH-JGVFFNPUSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC(C)[N@@H+]1C[C@H](C)[C@H](N)C1 147349942 344043684 /nfs/dbraw/zinc/04/36/84/344043684.db2.gz GUDNKWNWSKSETH-JGVFFNPUSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC(C)[N@H+]1C[C@H](C)[C@H](N)C1 147349942 344043687 /nfs/dbraw/zinc/04/36/87/344043687.db2.gz GUDNKWNWSKSETH-JGVFFNPUSA-N 1 1 142.246 0.674 50 0 in-vitro ACAAMO CC[NH+]1CCC(S(C)(=O)=O)CC1 148620446 344056454 /nfs/dbraw/zinc/05/64/54/344056454.db2.gz 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140.230 0.443 50 0 ACAAMO C[C@@H]1CNCC[N@H+]1C1CC1 41166919 351517387 /nfs/dbraw/zinc/51/73/87/351517387.db2.gz CMWWWZDHOHKRPR-SSDOTTSWSA-N 1 1 140.230 0.443 50 0 ACAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N(C)C 41362574 351518565 /nfs/dbraw/zinc/51/85/65/351518565.db2.gz ASZORCMRTYJNPV-SECBINFHSA-N 1 1 184.283 0.949 50 0 ACAAMO c1nc(C2CC[NH2+]CC2)n[nH]1 42040914 351520229 /nfs/dbraw/zinc/52/02/29/351520229.db2.gz YPPVPNFMCXRUCC-UHFFFAOYSA-N 1 1 152.201 0.272 50 0 ACAAMO CC(C)(O)C[N@H+]1CCC[C@@H]1CO 42433307 351522594 /nfs/dbraw/zinc/52/25/94/351522594.db2.gz OHLOMKOFTZOBEN-MRVPVSSYSA-N 1 1 173.256 0.214 50 0 ACAAMO CC(C)(O)C[N@H+]1CCC[C@H]1CO 42433308 351522603 /nfs/dbraw/zinc/52/26/03/351522603.db2.gz OHLOMKOFTZOBEN-QMMMGPOBSA-N 1 1 173.256 0.214 50 0 ACAAMO OC1CCN(C[C@H]2CC[NH2+]C2)CC1 42783420 351525067 /nfs/dbraw/zinc/52/50/67/351525067.db2.gz KQXILJZGIDNVGJ-VIFPVBQESA-N 1 1 184.283 0.053 50 0 ACAAMO O[C@H]1CCN(CC[C@H]2CCCC[NH2+]2)C1 42783330 351525127 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in-vitro ACAAMO C[C@H]1CC(=O)CC[N@H+]1C 49694169 351548592 /nfs/dbraw/zinc/54/85/92/351548592.db2.gz YLRRFARMTNWZKA-LURJTMIESA-N 1 1 127.187 0.670 50 0 in-vitro ACAAMO C[C@@H]1C[NH2+]CCN(C2CC2)C1 49661511 351548752 /nfs/dbraw/zinc/54/87/52/351548752.db2.gz KAIJRBAQNQXBMU-MRVPVSSYSA-N 1 1 154.257 0.690 50 0 in-vitro ACAAMO C[C@@H]1C[NH2+]CCN(C)C1 49660797 351548762 /nfs/dbraw/zinc/54/87/62/351548762.db2.gz SFCRWIPFNLBDHS-SSDOTTSWSA-N 1 1 128.219 0.158 50 0 ACAAMO CC(C)=CC[N@@H+](C)CCO 49633863 351548770 /nfs/dbraw/zinc/54/87/70/351548770.db2.gz MRMXXVUJOWHKMB-UHFFFAOYSA-N 1 1 143.230 0.877 50 0 in-vitro ACAAMO C[N@@H+](CCO)CCOc1ccccc1 49633606 351548812 /nfs/dbraw/zinc/54/88/12/351548812.db2.gz HYGYCZYEPMSPAP-UHFFFAOYSA-N 1 1 195.262 0.990 50 0 ACAAMO C[C@H]1C[NH2+]CCN(C)C1 49660799 351548838 /nfs/dbraw/zinc/54/88/38/351548838.db2.gz SFCRWIPFNLBDHS-ZETCQYMHSA-N 1 1 128.219 0.158 50 0 ACAAMO O[C@@H]1CCC[N@@H+](CC2CC2)C1 50103542 351551583 /nfs/dbraw/zinc/55/15/83/351551583.db2.gz 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CC[C@@H](C)[C@H]1C[NH2+]CCN1 56958718 351577594 /nfs/dbraw/zinc/57/75/94/351577594.db2.gz ZENDJDOEMBDKCK-HTQZYQBOSA-N 1 1 142.246 0.594 50 0 in-vitro ACAAMO C[C@@H]1C[C@H]([NH+]2CCC(O)CC2)C(=O)O1 58357757 351579282 /nfs/dbraw/zinc/57/92/82/351579282.db2.gz QFBNLRITOPCPCA-APPZFPTMSA-N 1 1 199.250 0.147 50 0 ACAAMO C[C@@H]1C[C@@H]([NH+]2CCC(O)CC2)C(=O)O1 58357759 351579556 /nfs/dbraw/zinc/57/95/56/351579556.db2.gz QFBNLRITOPCPCA-VXNVDRBHSA-N 1 1 199.250 0.147 50 0 ACAAMO C[C@H]1C[N@H+](CCCO)C(C)(C)CN1 67172981 351594540 /nfs/dbraw/zinc/59/45/40/351594540.db2.gz AOASHRJSNYWCET-VIFPVBQESA-N 1 1 186.299 0.441 50 0 ACAAMO C[C@H]1C[N@@H+](CCCO)C(C)(C)CN1 67172981 351594543 /nfs/dbraw/zinc/59/45/43/351594543.db2.gz AOASHRJSNYWCET-VIFPVBQESA-N 1 1 186.299 0.441 50 0 ACAAMO c1c(C2CC2)nc2n1CC[NH2+]C2 68911516 351596376 /nfs/dbraw/zinc/59/63/76/351596376.db2.gz KUKPJVQJOWVXQW-UHFFFAOYSA-N 1 1 163.224 0.864 50 0 ACAAMO COC(=O)[C@H]([NH3+])C[C@@H]1CCCOC1 69554768 351597537 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0.327 50 0 ACAAMO C[C@@H]1CNc2ccc[nH+]c2N1 74942585 351624344 /nfs/dbraw/zinc/62/43/44/351624344.db2.gz LXLGRFMEIDKBOZ-ZCFIWIBFSA-N 1 1 149.197 0.377 50 0 in-vitro ACAAMO c1cc(C[NH2+]C2COC2)ccn1 76594843 351625540 /nfs/dbraw/zinc/62/55/40/351625540.db2.gz RUZQGBVJIKPTDV-UHFFFAOYSA-N 1 1 164.208 0.570 50 0 in-vitro ACAAMO C[C@@H]1CNC2(CCCC2)C[NH2+]1 82960608 351643634 /nfs/dbraw/zinc/64/36/34/351643634.db2.gz LWYOOVDJHYJCFH-MRVPVSSYSA-N 1 1 154.257 0.881 50 0 ACAAMO c1[nH]nnc1C1CC[NH2+]CC1 82841683 351642545 /nfs/dbraw/zinc/64/25/45/351642545.db2.gz LGIWBPLJDKOQSX-UHFFFAOYSA-N 1 1 152.201 0.272 50 0 in-vitro ACAAMO CC(C)(C)OC(=O)[C@]1([NH3+])CCOC1 82963117 351643305 /nfs/dbraw/zinc/64/33/05/351643305.db2.gz GAPVPIADZVYYRO-VIFPVBQESA-N 1 1 187.239 0.446 50 0 ACAAMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1 83060839 351643350 /nfs/dbraw/zinc/64/33/50/351643350.db2.gz WMSMHECRTQDPAK-SECBINFHSA-N 1 1 184.283 0.459 50 0 in-vitro ACAAMO C[C@@H]1CN(C2CCOCC2)CC[NH2+]1 83060839 351643352 /nfs/dbraw/zinc/64/33/52/351643352.db2.gz WMSMHECRTQDPAK-SECBINFHSA-N 1 1 184.283 0.459 50 0 in-vitro ACAAMO CC(C)(C)OC(=O)[C@@]1([NH3+])CCOC1 82963118 351643751 /nfs/dbraw/zinc/64/37/51/351643751.db2.gz GAPVPIADZVYYRO-SECBINFHSA-N 1 1 187.239 0.446 50 0 ACAAMO O[C@H]1C[C@@H]2CCCC[N@H+]2C1 83255403 351644769 /nfs/dbraw/zinc/64/47/69/351644769.db2.gz JNCBPYOPMRTLKR-YUMQZZPRSA-N 1 1 141.214 0.606 50 0 in-vitro ACAAMO O[C@@H]1C[C@@H]2CCCC[N@H+]2C1 83255401 351644832 /nfs/dbraw/zinc/64/48/32/351644832.db2.gz JNCBPYOPMRTLKR-JGVFFNPUSA-N 1 1 141.214 0.606 50 0 in-vitro ACAAMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1 83814851 351647778 /nfs/dbraw/zinc/64/77/78/351647778.db2.gz OIQQKFXQWQDNNL-MRVPVSSYSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1 83814851 351647779 /nfs/dbraw/zinc/64/77/79/351647779.db2.gz OIQQKFXQWQDNNL-MRVPVSSYSA-N 1 1 172.272 0.051 50 0 in-vitro ACAAMO CC(C)C[C@@H]1[NH2+]CCNC1=O 84554311 351651382 /nfs/dbraw/zinc/65/13/82/351651382.db2.gz UNDFYAIFIIFDIC-ZETCQYMHSA-N 1 1 156.229 0.121 50 0 in-vitro ACAAMO CC(C)C[C@H]1[NH2+]CCNC1=O 84554310 351651852 /nfs/dbraw/zinc/65/18/52/351651852.db2.gz UNDFYAIFIIFDIC-SSDOTTSWSA-N 1 1 156.229 0.121 50 0 in-vitro ACAAMO OC[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 86431723 351654661 /nfs/dbraw/zinc/65/46/61/351654661.db2.gz NMJCDPULKPGXIV-SNVBAGLBSA-N 1 1 184.283 0.195 50 0 ACAAMO OC[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 86431725 351654879 /nfs/dbraw/zinc/65/48/79/351654879.db2.gz NMJCDPULKPGXIV-JTQLQIEISA-N 1 1 184.283 0.195 50 0 ACAAMO O[C@H]1CC[N@@H+](CCF)C1 87689926 351660600 /nfs/dbraw/zinc/66/06/00/351660600.db2.gz QSIYYVYVUHTKQY-LURJTMIESA-N 1 1 133.166 0.023 50 0 in-vitro ACAAMO C[C@@H]1NCC[N@H+](C)[C@H]1C 88613846 351661917 /nfs/dbraw/zinc/66/19/17/351661917.db2.gz GWTSFWMDTLOQTC-BQBZGAKWSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@@H]1NCC[N@@H+](C)[C@H]1C 88613846 351661920 /nfs/dbraw/zinc/66/19/20/351661920.db2.gz GWTSFWMDTLOQTC-BQBZGAKWSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@@H]1NCC[N@H+](C)[C@@H]1C 88613848 351662023 /nfs/dbraw/zinc/66/20/23/351662023.db2.gz GWTSFWMDTLOQTC-NKWVEPMBSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO C[C@@H]1NCC[N@@H+](C)[C@@H]1C 88613848 351662026 /nfs/dbraw/zinc/66/20/26/351662026.db2.gz GWTSFWMDTLOQTC-NKWVEPMBSA-N 1 1 128.219 0.298 50 0 in-vitro ACAAMO OCC1([NH2+]Cc2ccccc2)COC1 88189388 351662045 /nfs/dbraw/zinc/66/20/45/351662045.db2.gz SEDZCEIWWDXJTI-UHFFFAOYSA-N 1 1 193.246 0.538 50 0 in-vitro ACAAMO c1ccc(C[C@@H]2CNCC[NH2+]2)cc1 89222916 351663925 /nfs/dbraw/zinc/66/39/25/351663925.db2.gz RITMXTLCKYLIKW-LLVKDONJSA-N 1 1 176.263 0.791 50 0 in-vitro ACAAMO c1ccc([C@@H]2CNCC[NH2+]2)cc1 94986201 351666146 /nfs/dbraw/zinc/66/61/46/351666146.db2.gz RIMRLBGNCLMSNH-JTQLQIEISA-N 1 1 162.236 0.921 50 0 in-vitro ACAAMO c1ccc([C@H]2CNCC[NH2+]2)cc1 94986202 351666205 /nfs/dbraw/zinc/66/62/05/351666205.db2.gz RIMRLBGNCLMSNH-SNVBAGLBSA-N 1 1 162.236 0.921 50 0 in-vitro ACAAMO c1ccc(C[C@H]2CNCC[NH2+]2)cc1 95100163 351670313 /nfs/dbraw/zinc/67/03/13/351670313.db2.gz RITMXTLCKYLIKW-NSHDSACASA-N 1 1 176.263 0.791 50 0 in-vitro ACAAMO CC(C)CNC(=O)[C@@H]1CSC[NH2+]1 96287863 351679126 /nfs/dbraw/zinc/67/91/26/351679126.db2.gz IIGLJRVIJNZVSB-ZETCQYMHSA-N 1 1 188.296 0.421 50 0 in-vitro ACAAMO C[C@@H]1C[C@@H]1C[N@@H+](C)CC(=O)N(C)C 97105591 351683961 /nfs/dbraw/zinc/68/39/61/351683961.db2.gz AVIRGOOLHIXTQY-RKDXNWHRSA-N 1 1 184.283 0.662 50 0 ACAAMO CC(C)COC(=O)[C@H](C)[NH3+] 97922850 351684562 /nfs/dbraw/zinc/68/45/62/351684562.db2.gz SZHJHAOHDNDHMA-LURJTMIESA-N 1 1 145.202 0.533 50 0 ACAAMO C[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)N(C)C 97105593 351684685 /nfs/dbraw/zinc/68/46/85/351684685.db2.gz AVIRGOOLHIXTQY-BDAKNGLRSA-N 1 1 184.283 0.662 50 0 ACAAMO O[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C1 100464920 351697158 /nfs/dbraw/zinc/69/71/58/351697158.db2.gz GLDOVZMBTYZZBC-WDEREUQCSA-N 1 1 198.310 0.585 50 0 ACAAMO O[C@@H]1C[C@H]2CCCC[N@H+]2C1 101724920 351705691 /nfs/dbraw/zinc/70/56/91/351705691.db2.gz JNCBPYOPMRTLKR-HTQZYQBOSA-N 1 1 141.214 0.606 50 0 in-vitro ACAAMO O[C@H]1C[C@H]2CCCC[N@H+]2C1 101724924 351705714 /nfs/dbraw/zinc/70/57/14/351705714.db2.gz JNCBPYOPMRTLKR-SFYZADRCSA-N 1 1 141.214 0.606 50 0 in-vitro ACAAMO N[C@@H]1CCCCC[NH2+]C1 104641906 351714637 /nfs/dbraw/zinc/71/46/37/351714637.db2.gz ZRHHDWFTDGGETF-SSDOTTSWSA-N 1 1 128.219 0.477 50 0 in-vitro ACAAMO c1c[nH+]c([C@H]2CCOC2)[nH]1 113902424 351723503 /nfs/dbraw/zinc/72/35/03/351723503.db2.gz WSANWYWVQCIGPE-LURJTMIESA-N 1 1 138.170 0.914 50 0 in-vitro ACAAMO c1c[nH+]c([C@@H]2CCOC2)[nH]1 113902426 351723509 /nfs/dbraw/zinc/72/35/09/351723509.db2.gz WSANWYWVQCIGPE-ZCFIWIBFSA-N 1 1 138.170 0.914 50 0 in-vitro ACAAMO CCO[C@@H]1C[N@H+](CC)C[C@@H]1N 204312458 351783691 /nfs/dbraw/zinc/78/36/91/351783691.db2.gz NXWPZLVVLITYTP-JGVFFNPUSA-N 1 1 158.245 0.054 50 0 ACAAMO CCO[C@@H]1C[N@@H+](CC)C[C@@H]1N 204312458 351783695 /nfs/dbraw/zinc/78/36/95/351783695.db2.gz NXWPZLVVLITYTP-JGVFFNPUSA-N 1 1 158.245 0.054 50 0 ACAAMO C[C@@H]1[NH2+]CCN(CC2CC2)C1=O 205361905 351784543 /nfs/dbraw/zinc/78/45/43/351784543.db2.gz LTXQTPXZBMQNJD-ZETCQYMHSA-N 1 1 168.240 0.217 50 0 ACAAMO OCC[C@@H]1C[N@@H+](CC2CC2)CCN1 205361562 351784588 /nfs/dbraw/zinc/78/45/88/351784588.db2.gz RWHLJIGMDPQFHN-SNVBAGLBSA-N 1 1 184.283 0.053 50 0 ACAAMO OCC[C@@H]1CN(CC2CC2)CC[NH2+]1 205361562 351784591 /nfs/dbraw/zinc/78/45/91/351784591.db2.gz RWHLJIGMDPQFHN-SNVBAGLBSA-N 1 1 184.283 0.053 50 0 ACAAMO OCC[C@H]1C[N@@H+](CC2CC2)CCN1 205361577 351784658 /nfs/dbraw/zinc/78/46/58/351784658.db2.gz RWHLJIGMDPQFHN-JTQLQIEISA-N 1 1 184.283 0.053 50 0 ACAAMO OCC[C@H]1CN(CC2CC2)CC[NH2+]1 205361577 351784659 /nfs/dbraw/zinc/78/46/59/351784659.db2.gz RWHLJIGMDPQFHN-JTQLQIEISA-N 1 1 184.283 0.053 50 0 ACAAMO COc1c[nH+]c(N)cc1C 238340102 351820136 /nfs/dbraw/zinc/82/01/36/351820136.db2.gz ADHSVKCPFCBTRI-UHFFFAOYSA-N 1 1 138.170 0.981 50 0 ACAAMO C[N@@H+]1CCCn2cnc(CO)c2C1 238306695 351820234 /nfs/dbraw/zinc/82/02/34/351820234.db2.gz LAMCXBADLMSIKW-UHFFFAOYSA-N 1 1 181.239 0.211 50 0 ACAAMO C[N@H+]1CCCn2cnc(CO)c2C1 238306695 351820237 /nfs/dbraw/zinc/82/02/37/351820237.db2.gz LAMCXBADLMSIKW-UHFFFAOYSA-N 1 1 181.239 0.211 50 0 ACAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1O 238805009 351824624 /nfs/dbraw/zinc/82/46/24/351824624.db2.gz AHALXAANVVOASS-RNFRBKRXSA-N 1 1 129.203 0.319 50 0 ACAAMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH3+] 238853599 351825719 /nfs/dbraw/zinc/82/57/19/351825719.db2.gz KJSCOXHVQCIXQY-HTRCEHHLSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N 238853599 351825722 /nfs/dbraw/zinc/82/57/22/351825722.db2.gz KJSCOXHVQCIXQY-HTRCEHHLSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1N 238853599 351825725 /nfs/dbraw/zinc/82/57/25/351825725.db2.gz KJSCOXHVQCIXQY-HTRCEHHLSA-N 1 1 140.230 0.428 50 0 in-vitro ACAAMO C[C@@H]1C[N@H+](CCN)CC[C@H]1C 238856881 351826718 /nfs/dbraw/zinc/82/67/18/351826718.db2.gz XNFAUIBXZFTKBP-RKDXNWHRSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO C[C@@H]1CN(CC[NH3+])CC[C@H]1C 238856881 351826723 /nfs/dbraw/zinc/82/67/23/351826723.db2.gz XNFAUIBXZFTKBP-RKDXNWHRSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO OC[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 247895184 351830356 /nfs/dbraw/zinc/83/03/56/351830356.db2.gz ZTMTWWSBNVUXLH-NXEZZACHSA-N 1 1 185.267 0.480 50 0 ACAAMO O[C@@H]1CCN(CC[C@H]2CCCC[NH2+]2)C1 247963488 351830472 /nfs/dbraw/zinc/83/04/72/351830472.db2.gz GLDOVZMBTYZZBC-GHMZBOCLSA-N 1 1 198.310 0.585 50 0 ACAAMO C[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 252178547 351837438 /nfs/dbraw/zinc/83/74/38/351837438.db2.gz PNFJLSHWBWNVQQ-JGVFFNPUSA-N 1 1 170.256 0.592 50 0 ACAAMO COC1(C(F)(F)F)C[NH2+]C1 306695018 351956924 /nfs/dbraw/zinc/95/69/24/351956924.db2.gz VNJCLZREZUJUFS-UHFFFAOYSA-N 1 1 155.119 0.537 50 0 ACAAMO CO[C@@H]1C[N@@H+](C)[C@](C)(CO)C1 536948713 352188894 /nfs/dbraw/zinc/18/88/94/352188894.db2.gz LNMFOZBPICUCEW-YUMQZZPRSA-N 1 1 159.229 0.088 50 0 ACAAMO CO[C@H]1C[N@@H+](C)[C@](C)(CO)C1 536948712 352188957 /nfs/dbraw/zinc/18/89/57/352188957.db2.gz LNMFOZBPICUCEW-SFYZADRCSA-N 1 1 159.229 0.088 50 0 ACAAMO CO[C@@H]1C[N@@H+](C)[C@@](C)(CO)C1 536948711 352188960 /nfs/dbraw/zinc/18/89/60/352188960.db2.gz LNMFOZBPICUCEW-JGVFFNPUSA-N 1 1 159.229 0.088 50 0 ACAAMO CO[C@H]1C[N@@H+](C)[C@@](C)(CO)C1 536948706 352188963 /nfs/dbraw/zinc/18/89/63/352188963.db2.gz LNMFOZBPICUCEW-HTQZYQBOSA-N 1 1 159.229 0.088 50 0 ACAAMO CC1(Cc2[nH]cc[nH+]2)OCCO1 536957616 352193641 /nfs/dbraw/zinc/19/36/41/352193641.db2.gz LIAAIOMJCMXDMY-UHFFFAOYSA-N 1 1 168.196 0.715 50 0 ACAAMO NC[C@@H]1CC[N@@H+]1C1CCOCC1 575514368 352483406 /nfs/dbraw/zinc/48/34/06/352483406.db2.gz JQAOPTRHKRAYKE-VIFPVBQESA-N 1 1 170.256 0.198 50 0 ACAAMO NC[C@@H]1CC[N@H+]1C1CCOCC1 575514368 352483409 /nfs/dbraw/zinc/48/34/09/352483409.db2.gz JQAOPTRHKRAYKE-VIFPVBQESA-N 1 1 170.256 0.198 50 0 ACAAMO NC[C@H]1CC[N@@H+]1C1CCOCC1 575514367 352483636 /nfs/dbraw/zinc/48/36/36/352483636.db2.gz JQAOPTRHKRAYKE-SECBINFHSA-N 1 1 170.256 0.198 50 0 ACAAMO NC[C@H]1CC[N@H+]1C1CCOCC1 575514367 352483638 /nfs/dbraw/zinc/48/36/38/352483638.db2.gz JQAOPTRHKRAYKE-SECBINFHSA-N 1 1 170.256 0.198 50 0 ACAAMO OC[C@H]1CCC[N@H+]1CC1CC1 5816960 371619679 /nfs/dbraw/zinc/61/96/79/371619679.db2.gz VVPQQGSILHUAQR-SECBINFHSA-N 1 1 155.241 0.853 50 0 in-vitro ACAAMO C[C@@H]1C[C@@H](C)CN(CC[NH3+])C1 32445485 371631952 /nfs/dbraw/zinc/63/19/52/371631952.db2.gz GQSWLZPKSPRYJI-RKDXNWHRSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO OCCC[N@H+]1CCCOCC1 59950950 371640145 /nfs/dbraw/zinc/64/01/45/371640145.db2.gz JEZVOSAHGZYHNO-UHFFFAOYSA-N 1 1 159.229 0.091 50 0 ACAAMO C[C@@H]1CCN(CC[NH3+])C[C@@H]1C 98095707 371657114 /nfs/dbraw/zinc/65/71/14/371657114.db2.gz XNFAUIBXZFTKBP-BDAKNGLRSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO C[C@@H]1CC[N@@H+](CCN)C[C@@H]1C 98095707 371657110 /nfs/dbraw/zinc/65/71/10/371657110.db2.gz XNFAUIBXZFTKBP-BDAKNGLRSA-N 1 1 156.273 0.923 50 0 in-vitro ACAAMO C[C@@H]1C[NH2+]CCN([C@H]2C[C@H]2C)C1 216465659 371710345 /nfs/dbraw/zinc/71/03/45/371710345.db2.gz PCVJSECWGNSVQE-BBBLOLIVSA-N 1 1 168.284 0.936 50 0 in-vitro ACAAMO C[C@@H]1CNCC[N@@H+]([C@H]2C[C@H]2C)C1 216465659 371710349 /nfs/dbraw/zinc/71/03/49/371710349.db2.gz PCVJSECWGNSVQE-BBBLOLIVSA-N 1 1 168.284 0.936 50 0 in-vitro ACAAMO C[C@@H]1CNCC[N@H+]([C@H]2C[C@H]2C)C1 216465659 371710355 /nfs/dbraw/zinc/71/03/55/371710355.db2.gz PCVJSECWGNSVQE-BBBLOLIVSA-N 1 1 168.284 0.936 50 0 in-vitro ACAAMO C[C@@H]1C[NH2+]CCN([C@@H]2C[C@H]2C)C1 216465748 371710367 /nfs/dbraw/zinc/71/03/67/371710367.db2.gz PCVJSECWGNSVQE-OPRDCNLKSA-N 1 1 168.284 0.936 50 0 in-vitro ACAAMO C[C@@H]1CNCC[N@@H+]([C@@H]2C[C@H]2C)C1 216465748 371710370 /nfs/dbraw/zinc/71/03/70/371710370.db2.gz PCVJSECWGNSVQE-OPRDCNLKSA-N 1 1 168.284 0.936 50 0 in-vitro ACAAMO C[C@@H]1CNCC[N@H+]([C@@H]2C[C@H]2C)C1 216465748 371710374 /nfs/dbraw/zinc/71/03/74/371710374.db2.gz PCVJSECWGNSVQE-OPRDCNLKSA-N 1 1 168.284 0.936 50 0 in-vitro ACAAMO CCCC[C@H]1COC2(COC2)[NH2+]1 238250490 371727161 /nfs/dbraw/zinc/72/71/61/371727161.db2.gz PCSCKMMQICRSEJ-QMMMGPOBSA-N 1 1 171.240 0.892 50 0 ACAAMO CCO[C@H]1C[N@H+](CC)C[C@H]1N 244741846 371732873 /nfs/dbraw/zinc/73/28/73/371732873.db2.gz NXWPZLVVLITYTP-SFYZADRCSA-N 1 1 158.245 0.054 50 0 ACAAMO CCO[C@H]1C[N@@H+](CC)C[C@H]1N 244741846 371732876 /nfs/dbraw/zinc/73/28/76/371732876.db2.gz NXWPZLVVLITYTP-SFYZADRCSA-N 1 1 158.245 0.054 50 0 ACAAMO C[N@H+]1CC[C@H](O)[C@H]2CCC[C@H]21 245256790 371734539 /nfs/dbraw/zinc/73/45/39/371734539.db2.gz SYOFKZCZCYMACF-YIZRAAEISA-N 1 1 155.241 0.852 50 0 ACAAMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 33019182 375293992 /nfs/dbraw/zinc/29/39/92/375293992.db2.gz AXWVUGWDYXYJFV-NXEZZACHSA-N 1 1 196.294 0.807 50 0 ACAAMO CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C)CC1 33019185 375294181 /nfs/dbraw/zinc/29/41/81/375294181.db2.gz AXWVUGWDYXYJFV-ZJUUUORDSA-N 1 1 196.294 0.807 50 0 ACAAMO C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C)CC1 33018968 375294083 /nfs/dbraw/zinc/29/40/83/375294083.db2.gz DNSBQAGOXBVOPU-BDAKNGLRSA-N 1 1 182.267 0.416 50 0 ACAAMO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](C)CC1 33018971 375294118 /nfs/dbraw/zinc/29/41/18/375294118.db2.gz DNSBQAGOXBVOPU-IUCAKERBSA-N 1 1 182.267 0.416 50 0 ACAAMO C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C)CC1 33018972 375294508 /nfs/dbraw/zinc/29/45/08/375294508.db2.gz DNSBQAGOXBVOPU-RKDXNWHRSA-N 1 1 182.267 0.416 50 0 ACAAMO C[C@H]1C[C@H]1C(=O)N1CC[NH+](C)CC1 33018973 375294531 /nfs/dbraw/zinc/29/45/31/375294531.db2.gz DNSBQAGOXBVOPU-DTWKUNHWSA-N 1 1 182.267 0.416 50 0 ACAAMO CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 33019181 375294612 /nfs/dbraw/zinc/29/46/12/375294612.db2.gz AXWVUGWDYXYJFV-UWVGGRQHSA-N 1 1 196.294 0.807 50 0 ACAAMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 33019179 375294776 /nfs/dbraw/zinc/29/47/76/375294776.db2.gz AXWVUGWDYXYJFV-VHSXEESVSA-N 1 1 196.294 0.807 50 0 ACAAMO CC[C@@H](C)[N@H+]1CC[C@H](N)C1 36091772 375295581 /nfs/dbraw/zinc/29/55/81/375295581.db2.gz UYZDDPIZRFTWMM-SFYZADRCSA-N 1 1 142.246 0.818 50 0 ACAAMO C1Cn2c(nnc2CC2CC2)C[NH2+]1 53709935 375303318 /nfs/dbraw/zinc/30/33/18/375303318.db2.gz AAXTYPXCNICSEB-UHFFFAOYSA-N 1 1 178.239 0.334 50 0 ACAAMO CCCN1CC[NH2+]C(C)(C)C1=O 82476359 375363592 /nfs/dbraw/zinc/36/35/92/375363592.db2.gz HIPZIUBEFVHTCB-UHFFFAOYSA-N 1 1 170.256 0.607 50 0 in-vitro ACAAMO C[C@@]1(CO)CC(F)(F)C[NH2+]1 261509088 375437417 /nfs/dbraw/zinc/43/74/17/375437417.db2.gz ZRYXDNDJJKCPSS-YFKPBYRVSA-N 1 1 151.156 0.366 50 0 ACAAMO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1 521399310 375540119 /nfs/dbraw/zinc/54/01/19/375540119.db2.gz DJIONMZLWQOICG-SNVBAGLBSA-N 1 1 198.310 0.849 50 0 ACAAMO C[NH+](C)C[C@H]1COC2(CCCC2)CN1 521399309 375540185 /nfs/dbraw/zinc/54/01/85/375540185.db2.gz DJIONMZLWQOICG-JTQLQIEISA-N 1 1 198.310 0.849 50 0 ACAAMO OCCNc1[nH]c2ccccc2[nH+]1 15909677 409314348 /nfs/dbraw/zinc/31/43/48/409314348.db2.gz FGPOQZOBPMSSAQ-UHFFFAOYSA-N 1 1 177.207 0.967 50 0 in-vitro ACAAMO CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 48366139 409368063 /nfs/dbraw/zinc/36/80/63/409368063.db2.gz HBVYPYWNGFSULQ-VIFPVBQESA-N 1 1 196.294 0.997 50 0 ACAAMO CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 48366141 409369844 /nfs/dbraw/zinc/36/98/44/409369844.db2.gz HBVYPYWNGFSULQ-SECBINFHSA-N 1 1 196.294 0.997 50 0 ACAAMO CC(C)CC[N@@H+](CC(N)=O)C1CC1 48366644 409369986 /nfs/dbraw/zinc/36/99/86/409369986.db2.gz FBPSIHYJEPSCNC-UHFFFAOYSA-N 1 1 184.283 0.982 50 0 ACAAMO C[C@H](O)[C@@H]([NH3+])C(=O)OC(C)(C)C 57933700 409394028 /nfs/dbraw/zinc/39/40/28/409394028.db2.gz XASPGLPXANLVTJ-NTSWFWBYSA-N 1 1 175.228 0.036 50 0 in-vitro ACAAMO Cc1ccc([C@@H]2CNCC[NH2+]2)cc1N 104509392 409453688 /nfs/dbraw/zinc/45/36/88/409453688.db2.gz GPLYDROLROUWQR-NSHDSACASA-N 1 1 191.278 0.811 50 0 ACAAMO Cc1nc(C[N@@H+]2CCC[C@@H]2CO)co1 307204588 409626802 /nfs/dbraw/zinc/62/68/02/409626802.db2.gz GSPXUGVMWXXKMA-SNVBAGLBSA-N 1 1 196.250 0.940 50 0 ACAAMO Cc1nc(C[N@H+]2CCC[C@@H]2CO)co1 307204588 409626805 /nfs/dbraw/zinc/62/68/05/409626805.db2.gz GSPXUGVMWXXKMA-SNVBAGLBSA-N 1 1 196.250 0.940 50 0 ACAAMO Cc1nc(C[N@@H+]2CCC[C@H]2CO)co1 307281018 409632594 /nfs/dbraw/zinc/63/25/94/409632594.db2.gz GSPXUGVMWXXKMA-JTQLQIEISA-N 1 1 196.250 0.940 50 0 ACAAMO Cc1nc(C[N@H+]2CCC[C@H]2CO)co1 307281018 409632599 /nfs/dbraw/zinc/63/25/99/409632599.db2.gz GSPXUGVMWXXKMA-JTQLQIEISA-N 1 1 196.250 0.940 50 0 ACAAMO CCCCOCc1nc(C[NH3+])no1 379570148 409849400 /nfs/dbraw/zinc/84/94/00/409849400.db2.gz CHYMLCQLYLPWQL-UHFFFAOYSA-N 1 1 185.227 0.845 50 0 ACAAMO C[N@H+]1CCC[C@H]1CNCc1ccon1 386477530 409937852 /nfs/dbraw/zinc/93/78/52/409937852.db2.gz VWKICHXCABLMGC-JTQLQIEISA-N 1 1 195.266 0.858 50 0 ACAAMO C[N@H+]1CCC[C@@H]1CNCc1ccon1 386477533 409938296 /nfs/dbraw/zinc/93/82/96/409938296.db2.gz VWKICHXCABLMGC-SNVBAGLBSA-N 1 1 195.266 0.858 50 0 ACAAMO N[C@@]12CC[C@@H](C[NH2+]C1)C2 96299046 573602517 /nfs/dbraw/zinc/60/25/17/573602517.db2.gz SVVHTGGTQMORHI-RNFRBKRXSA-N 1 1 126.203 0.087 50 0 ACAAMO Nc1[nH]c2cccc(N)c2[nH+]1 83847413 573686581 /nfs/dbraw/zinc/68/65/81/573686581.db2.gz BFVIGZKFVVQUAG-UHFFFAOYSA-N 1 1 148.169 0.727 50 0 ACAAMO C[C@@H]1C[C@H]([NH3+])C[N@H+](CCC(=O)[O-])C1 87042208 573751168 /nfs/dbraw/zinc/75/11/68/573751168.db2.gz BYPGWQVEPDPQQG-SFYZADRCSA-N 1 1 186.255 0.130 50 0 ACAAMO CCOCc1nnc(C[NH3+])s1 84099559 573769862 /nfs/dbraw/zinc/76/98/62/573769862.db2.gz GBOGFBMVAHKJIN-UHFFFAOYSA-N 1 1 173.241 0.533 50 0 ACAAMO C1C[NH+](C2CCSCC2)CCN1 40457260 518579240 /nfs/dbraw/zinc/57/92/40/518579240.db2.gz ZFMTYEGWVDAQAP-UHFFFAOYSA-N 1 1 186.324 0.787 50 0 in-vitro ACAAMO CC[NH+]1CCN(C#N)CC1 168159830 629966570 /nfs/dbraw/zinc/96/65/70/629966570.db2.gz FMLCYMQTEFTXGT-UHFFFAOYSA-N 1 1 139.202 0.105 50 0 ACAAMO CNc1ccc(N2CCOCC2)[nH+]c1 62796840 522630812 /nfs/dbraw/zinc/63/08/12/522630812.db2.gz LTHXVPCATJZGBW-UHFFFAOYSA-N 1 1 193.250 0.960 50 0 in-vitro ACAAMO COC(=O)C12CCC(CC1)[NH2+]2 2524295 522864770 /nfs/dbraw/zinc/86/47/70/522864770.db2.gz XMQNWZZEZQESSY-UHFFFAOYSA-N 1 1 155.197 0.444 50 0 ACAAMO CN1CCC[C@@]2(CC[NH2+]C2)C1 81947135 523838093 /nfs/dbraw/zinc/83/80/93/523838093.db2.gz XYAVBNPTWXQIAA-VIFPVBQESA-N 1 1 154.257 0.692 50 0 in-vitro ACAAMO CN1CCC[C@]2(CC[NH2+]C2)C1 81947131 523859843 /nfs/dbraw/zinc/85/98/43/523859843.db2.gz XYAVBNPTWXQIAA-SECBINFHSA-N 1 1 154.257 0.692 50 0 in-vitro ACAAMO CC(C)C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 95149851 630058769 /nfs/dbraw/zinc/05/87/69/630058769.db2.gz DFCIOXGZLYGKGO-MRVPVSSYSA-N 1 1 195.270 0.645 50 0 ACAAMO CC(C)C[N@H+]1CC[C@H](c2nn[nH]n2)C1 95149849 630060089 /nfs/dbraw/zinc/06/00/89/630060089.db2.gz DFCIOXGZLYGKGO-QMMMGPOBSA-N 1 1 195.270 0.645 50 0 ACAAMO CN1CC[C@@](O)([C@H]([NH3+])C2CCC2)C1 958528793 630063215 /nfs/dbraw/zinc/06/32/15/630063215.db2.gz VJDDISPOJNVRRR-ZJUUUORDSA-N 1 1 184.283 0.180 50 0 ACAAMO CCC[C@@H]([NH3+])[C@]1(O)CCN(C)C1 958528677 630063518 /nfs/dbraw/zinc/06/35/18/630063518.db2.gz SBZFDUYVZPSYGI-BDAKNGLRSA-N 1 1 172.272 0.180 50 0 ACAAMO CC(C)C[C@H]([NH3+])[C@@]1(O)CCN(C)C1 958528787 630063628 /nfs/dbraw/zinc/06/36/28/630063628.db2.gz VIFWKEGYFITDPM-VHSXEESVSA-N 1 1 186.299 0.426 50 0 ACAAMO CN1CC[C@](O)([C@H]([NH3+])C2CCC2)C1 958528790 630063830 /nfs/dbraw/zinc/06/38/30/630063830.db2.gz VJDDISPOJNVRRR-NXEZZACHSA-N 1 1 184.283 0.180 50 0 ACAAMO CCC[C@H]([NH3+])[C@@]1(O)CCN(C)C1 958528679 630063880 /nfs/dbraw/zinc/06/38/80/630063880.db2.gz SBZFDUYVZPSYGI-DTWKUNHWSA-N 1 1 172.272 0.180 50 0 ACAAMO CCC[C@H]([NH3+])[C@]1(O)CCN(C)C1 958528690 630064088 /nfs/dbraw/zinc/06/40/88/630064088.db2.gz SBZFDUYVZPSYGI-IUCAKERBSA-N 1 1 172.272 0.180 50 0 ACAAMO CC(C)C[C@H]([NH3+])[C@]1(O)CCN(C)C1 958528786 630064323 /nfs/dbraw/zinc/06/43/23/630064323.db2.gz VIFWKEGYFITDPM-UWVGGRQHSA-N 1 1 186.299 0.426 50 0 ACAAMO CN1CC[C@](O)([C@@H]([NH3+])C2CCC2)C1 958528792 630064490 /nfs/dbraw/zinc/06/44/90/630064490.db2.gz VJDDISPOJNVRRR-VHSXEESVSA-N 1 1 184.283 0.180 50 0 ACAAMO CC(C)C[C@@H]([NH3+])[C@@]1(O)CCN(C)C1 958528785 630064777 /nfs/dbraw/zinc/06/47/77/630064777.db2.gz VIFWKEGYFITDPM-NXEZZACHSA-N 1 1 186.299 0.426 50 0 ACAAMO CCC[C@@H]([NH3+])[C@@]1(O)CCN(C)C1 958528691 630064987 /nfs/dbraw/zinc/06/49/87/630064987.db2.gz SBZFDUYVZPSYGI-RKDXNWHRSA-N 1 1 172.272 0.180 50 0 ACAAMO CN1CC[C@@](O)([C@@H]([NH3+])C2CCC2)C1 958528791 630065117 /nfs/dbraw/zinc/06/51/17/630065117.db2.gz VJDDISPOJNVRRR-UWVGGRQHSA-N 1 1 184.283 0.180 50 0 ACAAMO CC(C)C[C@@H]([NH3+])[C@]1(O)CCN(C)C1 958528788 630065232 /nfs/dbraw/zinc/06/52/32/630065232.db2.gz VIFWKEGYFITDPM-ZJUUUORDSA-N 1 1 186.299 0.426 50 0 ACAAMO C1CN(C[NH+]2CCC2)C1 32218098 630775604 /nfs/dbraw/zinc/77/56/04/630775604.db2.gz QSEXZOMYNWRHJS-UHFFFAOYSA-N 1 1 126.203 0.355 50 0 ACAAMO CC(=O)[C@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C 16034520 630904281 /nfs/dbraw/zinc/90/42/81/630904281.db2.gz VARYFHQLQGDWFX-XKSSXDPKSA-N 1 1 185.267 0.667 50 0 ACAAMO Cc1ncnc(C[NH+](C)C)c1O 22135294 631010437 /nfs/dbraw/zinc/01/04/37/631010437.db2.gz DKEOWYRPURYCCT-UHFFFAOYSA-N 1 1 167.212 0.552 50 0 ACAAMO N[C@H](c1ccsc1)C1(O)C[NH2+]C1 958527898 631163344 /nfs/dbraw/zinc/16/33/44/631163344.db2.gz IJBKEDLANRPBET-SSDOTTSWSA-N 1 1 184.264 0.082 50 0 ACAAMO N[C@@H](c1ccsc1)C1(O)C[NH2+]C1 958527900 631163773 /nfs/dbraw/zinc/16/37/73/631163773.db2.gz IJBKEDLANRPBET-ZETCQYMHSA-N 1 1 184.264 0.082 50 0 ACAAMO C[C@@H]1[NH2+][C@H](C)[C@@H](C)N(C)C1=O 306939606 525011854 /nfs/dbraw/zinc/01/18/54/525011854.db2.gz OHBCFTSUBNDCJA-DSYKOEDSSA-N 1 1 156.229 0.214 50 0 ACAAMO C[C@@H]1[NH2+][C@H](C)[C@H](C)N(C)C1=O 306939608 525012594 /nfs/dbraw/zinc/01/25/94/525012594.db2.gz OHBCFTSUBNDCJA-VQVTYTSYSA-N 1 1 156.229 0.214 50 0 ACAAMO CC(=O)[C@]1(O)C[C@H](C)[N@H+](C)C[C@@H]1C 5730027 1224162418 /nfs/dbraw/zinc/16/24/18/1224162418.db2.gz VARYFHQLQGDWFX-NRPADANISA-N 1 1 185.267 0.667 50 0 ACAAMO C[C@@H]1[NH2+][C@@H](C)[C@H](C)N(C)C1=O 306939605 525552764 /nfs/dbraw/zinc/55/27/64/525552764.db2.gz OHBCFTSUBNDCJA-ACZMJKKPSA-N 1 1 156.229 0.214 50 0 ACAAMO C[C@@H]1[NH2+][C@@H](C)[C@@H](C)N(C)C1=O 306939607 525685521 /nfs/dbraw/zinc/68/55/21/525685521.db2.gz OHBCFTSUBNDCJA-LYFYHCNISA-N 1 1 156.229 0.214 50 0 ACAAMO C[C@@H]1[C@H](CO)CC[N@H+]1C 138995782 525699982 /nfs/dbraw/zinc/69/99/82/525699982.db2.gz CLZCFIPVCXXHGN-RQJHMYQMSA-N 1 1 129.203 0.319 50 0 ACAAMO [NH3+]Cc1nc(C(F)F)no1 258454925 527265223 /nfs/dbraw/zinc/26/52/23/527265223.db2.gz GKNYWIYGASOPER-UHFFFAOYSA-N 1 1 149.100 0.466 50 0 ACAAMO [NH3+]Cc1nc(C2CCOCC2)no1 83718996 527265797 /nfs/dbraw/zinc/26/57/97/527265797.db2.gz PDXMSWZNWRVZIY-UHFFFAOYSA-N 1 1 183.211 0.422 50 0 ACAAMO Nc1nc(N2CCC[C@H](O)C2)cc[nH+]1 72192687 527566932 /nfs/dbraw/zinc/56/69/32/527566932.db2.gz PUMDSLSEDRYTOC-ZETCQYMHSA-N 1 1 194.238 0.020 50 0 in-vitro ACAAMO Nc1nc(N2CCC[C@@H](O)C2)cc[nH+]1 72192688 527567403 /nfs/dbraw/zinc/56/74/03/527567403.db2.gz PUMDSLSEDRYTOC-SSDOTTSWSA-N 1 1 194.238 0.020 50 0 in-vitro ACAAMO Nc1[nH+]cccc1N1CCOCC1 95348353 527570132 /nfs/dbraw/zinc/57/01/32/527570132.db2.gz KSRWGJRHJUQFTH-UHFFFAOYSA-N 1 1 179.223 0.500 50 0 in-vitro ACAAMO