smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1[C@@H]2CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000035442447 201703674 /nfs/dbraw/zinc/70/36/74/201703674.db2.gz OKJNWKZAXIUNQZ-LZWOXQAQSA-N 1 0 331.420 -0.361 40 0 biogenic,in-vitro EBABRO O=C(NCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1 ZINC000217374549 241246207 /nfs/dbraw/zinc/24/62/07/241246207.db2.gz GKIDGKHFVZZMRH-NWDGAFQWSA-N 1 0 332.809 -0.183 40 0 EBABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3cnn(C)c3)C2)CC1 ZINC000257225613 244197834 /nfs/dbraw/zinc/19/78/34/244197834.db2.gz FGZRUEXUJBEFQN-QGZVFWFLSA-N 1 0 349.435 -0.402 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H](C(N)=O)C1 ZINC000257229499 244206266 /nfs/dbraw/zinc/20/62/66/244206266.db2.gz FYILNHFHCDLZTH-ZDUSSCGKSA-N 1 0 328.376 -0.244 40 0 EBABRO Cc1nn(C)cc1C(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257256868 244284202 /nfs/dbraw/zinc/28/42/02/244284202.db2.gz KNFXLBRXRUQJSO-HOTGVXAUSA-N 1 0 335.452 -0.059 40 0 EBABRO C[N@H+](C1CCN(C(=O)Cc2ccncc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288405 376523990 /nfs/dbraw/zinc/52/39/90/376523990.db2.gz ZUQWIMTTYKHSIT-NUJGCVRESA-N 1 0 349.431 -0.333 40 0 EBABRO C[N@H+](C1CCN(C(=O)Cc2cccnc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287870 376524274 /nfs/dbraw/zinc/52/42/74/376524274.db2.gz GJBQXEHCBMMIHP-NUJGCVRESA-N 1 0 349.431 -0.333 40 0 EBABRO CO[C@@H]1COC[C@@H](N(C)C(=O)CN(C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000585286705 376521678 /nfs/dbraw/zinc/52/16/78/376521678.db2.gz OLEFHPIQNLOJJW-INMHGKMJSA-N 1 0 343.468 -0.100 40 0 EBABRO CS(=O)(=O)N1CC[C@H]2C[C@@H](C(=O)NCC[NH+]3CCCC3)O[C@@H]2C1 ZINC000096042960 376487887 /nfs/dbraw/zinc/48/78/87/376487887.db2.gz MVKQLBVPRLPIMA-MELADBBJSA-N 1 0 345.465 -0.363 40 0 EBABRO COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H]([N@H+](C)CCO)[C@H]2O)c1 ZINC000257294225 379197470 /nfs/dbraw/zinc/19/74/70/379197470.db2.gz QTCSGTTUBASHKV-KBXIAJHMSA-N 1 0 339.392 -0.463 40 0 EBABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)CCC(N)=O)CC2)CC1 ZINC000257300981 379199463 /nfs/dbraw/zinc/19/94/63/379199463.db2.gz RWLHBMPVEKVHKD-INIZCTEOSA-N 1 0 326.441 -0.757 40 0 EBABRO CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH2+]CC3)[nH]c(=O)c2C1 ZINC000257283722 379406638 /nfs/dbraw/zinc/40/66/38/379406638.db2.gz OZOSXVBZPWHZMK-UHFFFAOYSA-N 1 0 341.437 -0.186 40 0 EBABRO Cc1cnc(Cn2nc3n(c(=O)c2=O)CCC32CC[NH+](C)CC2)cn1 ZINC000306138656 380773272 /nfs/dbraw/zinc/77/32/72/380773272.db2.gz SDROXKKFZBQLIN-UHFFFAOYSA-N 1 0 342.403 -0.081 40 0 EBABRO CC1CC[NH+](C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1 ZINC000514289581 257845629 /nfs/dbraw/zinc/84/56/29/257845629.db2.gz VSIGQXAYZCEQHQ-SOUVJXGZSA-N 1 0 327.425 -0.112 40 0 biogenic,in-vitro EBABRO CS(=O)(=O)C1C(=O)C(=O)N(CC[NH2+]CCO)[C@H]1c1ccco1 ZINC000035323663 418984375 /nfs/dbraw/zinc/98/43/75/418984375.db2.gz VVZAUDAVMGAAMZ-JTQLQIEISA-N 1 0 330.362 -0.441 40 0 EBABRO COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CC[NH+](C)CC3)[C@@H]2O)cc1 ZINC000514289083 419058326 /nfs/dbraw/zinc/05/83/26/419058326.db2.gz NLUQWYQOBCKUDB-YESZJQIVSA-N 1 0 349.431 -0.199 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@@H]1CN(C2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)C1 ZINC000257228629 419302053 /nfs/dbraw/zinc/30/20/53/419302053.db2.gz FUPVBTBVKPMZFM-LBPRGKRZSA-N 1 0 332.470 -0.980 40 0 EBABRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)n1 ZINC000306139808 419409679 /nfs/dbraw/zinc/40/96/79/419409679.db2.gz UBHXPVJFFBLEAJ-QGZVFWFLSA-N 1 0 343.387 -0.180 40 0 EBABRO CC(=O)O[C@H]1[C@@H](SC(N)=[NH2+])OC[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005858140 278222353 /nfs/dbraw/zinc/22/23/53/278222353.db2.gz PVDUDWAIUQCCBD-LNFKQOIKSA-N 1 0 334.350 -0.236 40 0 EBABRO CNC(=O)[C@@H]1CN(C(=O)CN(C)Cc2cccnc2)CC[N@H+](C)C1 ZINC000257263149 536398445 /nfs/dbraw/zinc/39/84/45/536398445.db2.gz LOQGRZYLLNZMAH-HNNXBMFYSA-N 1 0 333.436 -0.350 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H](C(N)=O)C1 ZINC000257274324 536407884 /nfs/dbraw/zinc/40/78/84/536407884.db2.gz NKMKTKFWEMPDFF-CYBMUJFWSA-N 1 0 328.376 -0.244 40 0 EBABRO O=C(CCn1cnnn1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257231485 244213031 /nfs/dbraw/zinc/21/30/31/244213031.db2.gz GGXORHOJURNODZ-ZDUSSCGKSA-N 1 0 344.366 -0.242 40 0 EBABRO NC(=O)c1cnc2c(ccn2[C@@H]2CN(C(=O)CCC[NH3+])C[C@H]2O)c1 ZINC000257276435 244395027 /nfs/dbraw/zinc/39/50/27/244395027.db2.gz NTTQHXCZQHUNBH-CHWSQXEVSA-N 1 0 331.376 -0.382 40 0 EBABRO CN1C(=O)CNN(CCCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000206209011 375948628 /nfs/dbraw/zinc/94/86/28/375948628.db2.gz JSDUEAIHFWVTOX-UHFFFAOYSA-N 1 0 347.423 -0.223 40 0 EBABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCCO)C1 ZINC000585290404 376524036 /nfs/dbraw/zinc/52/40/36/376524036.db2.gz ATAHXLAGGFKZFR-ZBFHGGJFSA-N 1 0 342.823 -0.211 40 0 EBABRO CNC(=O)C[C@]1(O)COCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000585280198 376518838 /nfs/dbraw/zinc/51/88/38/376518838.db2.gz CEKUYVXMLGCMIZ-MRXNPFEDSA-N 1 0 327.425 -0.413 40 0 EBABRO Cn1c2nc(NCC[NH3+])n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000004861720 377190335 /nfs/dbraw/zinc/19/03/35/377190335.db2.gz WASISLPCOWJGOF-UHFFFAOYSA-N 1 0 328.376 -0.147 40 0 EBABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCOCC3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604382023 378450462 /nfs/dbraw/zinc/45/04/62/378450462.db2.gz ZJRWMAJODFHMCM-SZVRAQGESA-N 1 0 340.420 -0.291 40 0 biogenic,in-vitro EBABRO C[NH+](C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O ZINC000604381604 378451134 /nfs/dbraw/zinc/45/11/34/378451134.db2.gz HWZQVQNCYHKLJV-SZVRAQGESA-N 1 0 335.404 -0.065 40 0 biogenic,in-vitro EBABRO COc1ccc(S(=O)(=O)N(CC[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575424423 382107864 /nfs/dbraw/zinc/10/78/64/382107864.db2.gz AGBHBNYTJBNNKU-LLVKDONJSA-N 1 0 348.446 -0.168 40 0 EBABRO C[NH+]1CCN(CCNc2cc(C3CC3)[nH+]c(NCC(=O)[O-])n2)CC1 ZINC000329064340 257901569 /nfs/dbraw/zinc/90/15/69/257901569.db2.gz XJGITADXHFZJQE-UHFFFAOYSA-N 1 0 334.424 -0.646 40 0 EBABRO C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000013783460 287190617 /nfs/dbraw/zinc/19/06/17/287190617.db2.gz QVCMHGGNRFRMAD-KDDSUGKUSA-N 1 0 325.361 -0.393 40 0 endogenous,in-man EBABRO COCC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257320397 277196094 /nfs/dbraw/zinc/19/60/94/277196094.db2.gz VWQBCDXBMWBLMA-IIAWOOMASA-N 1 0 327.425 -0.415 40 0 EBABRO O=S1(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2Oc2ncccc21 ZINC000514289658 280352449 /nfs/dbraw/zinc/35/24/49/280352449.db2.gz NAKBRADJMQUTOO-NEPJUHHUSA-N 1 0 325.390 -0.016 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@H]1CN(C(=O)c2cnn(C)c2)CC[N@@H+](C2CCOCC2)C1 ZINC000257202634 536398262 /nfs/dbraw/zinc/39/82/62/536398262.db2.gz AMRSGRDURHRATC-CQSZACIVSA-N 1 0 349.435 -0.281 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H](C(N)=O)C1 ZINC000257274325 536407417 /nfs/dbraw/zinc/40/74/17/536407417.db2.gz NKMKTKFWEMPDFF-ZDUSSCGKSA-N 1 0 328.376 -0.244 40 0 EBABRO NC(=O)CNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000019292216 202003237 /nfs/dbraw/zinc/00/32/37/202003237.db2.gz FHJLMDWDMVVKOK-MEDUHNTESA-N 1 0 336.392 -0.308 40 0 EBABRO C[C@@]1(O)C[C@@H]2C[NH2+]CC[C@@H]2OC[C@H]1n1cnc2c1nc(N)nc2N ZINC000257252363 244272884 /nfs/dbraw/zinc/27/28/84/244272884.db2.gz JUOGKOSWJWRUKL-DRNSDYETSA-N 1 0 333.396 -0.319 40 0 EBABRO [NH3+]CCCC(=O)N1C[C@H](O)[C@@H](n2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC000257277074 244394095 /nfs/dbraw/zinc/39/40/95/244394095.db2.gz NWIFGMPXYYVZPV-STQMWFEESA-N 1 0 332.360 -0.415 40 0 EBABRO COC(=O)[C@H]1CN(C(=O)C[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000079418572 376086925 /nfs/dbraw/zinc/08/69/25/376086925.db2.gz LZEKWDUICPQRAF-CYBMUJFWSA-N 1 0 335.360 -0.032 40 0 EBABRO C[C@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000059817010 376188675 /nfs/dbraw/zinc/18/86/75/376188675.db2.gz QVCMHGGNRFRMAD-QUEVIFFYSA-N 1 0 325.361 -0.393 40 0 in-man EBABRO CO[C@H]1C[N@@H+](C2CCN(S(C)(=O)=O)CC2)C[C@H]1CC(=O)N(C)C ZINC000585277142 376516070 /nfs/dbraw/zinc/51/60/70/376516070.db2.gz FYEFOMYWTOJMIN-OCCSQVGLSA-N 1 0 347.481 -0.165 40 0 EBABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(S(=O)(=O)C1CC1)C2 ZINC000096198528 376492015 /nfs/dbraw/zinc/49/20/15/376492015.db2.gz OUKPMEGZZRFLAW-NSHDSACASA-N 1 0 343.453 -0.215 40 0 EBABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CC2CC2)C1 ZINC000585289771 376524844 /nfs/dbraw/zinc/52/48/44/376524844.db2.gz JVOWPGZRYDADPC-CABCVRRESA-N 1 0 326.418 -0.218 40 0 EBABRO COCCN1C(=O)CO[C@H]2CCN(C(=O)C3CC[NH2+]CC3)CC[C@@H]21 ZINC000257289294 379195945 /nfs/dbraw/zinc/19/59/45/379195945.db2.gz PXYLDNCRMDBTKC-GJZGRUSLSA-N 1 0 339.436 -0.149 40 0 EBABRO CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O ZINC000257303020 379199425 /nfs/dbraw/zinc/19/94/25/379199425.db2.gz SFLJYLQTLRJYNL-IAGOWNOFSA-N 1 0 348.447 -0.193 40 0 EBABRO [NH3+][C@@H]1C(=O)[C@H]2C(C(=O)[O-])=C(Cn3cc[n+]4ncccc34)CS[C@H]12 ZINC000207877901 379326734 /nfs/dbraw/zinc/32/67/34/379326734.db2.gz PSOARANFLNQYAR-BZPMIXESSA-O 1 0 331.377 -0.355 40 0 EBABRO CN1C(=O)C(=O)[C@@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)[NH3+] ZINC000575623580 381034595 /nfs/dbraw/zinc/03/45/95/381034595.db2.gz MHODNZQPDYJIOK-NSHDSACASA-N 1 0 334.351 -0.013 40 0 EBABRO C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262101958 154213729 /nfs/dbraw/zinc/21/37/29/154213729.db2.gz DTWXPSBFLMBQGG-QPSCCSFWSA-N 1 0 338.452 -0.530 40 0 EBABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-n2cccn2)nc1 ZINC000257330730 419304238 /nfs/dbraw/zinc/30/42/38/419304238.db2.gz XPQZPGRCRZBHAD-OLZOCXBDSA-N 1 0 328.376 -0.327 40 0 EBABRO CC(=O)OC[C@@H]1O[C@H]([NH3+])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245239669 278219662 /nfs/dbraw/zinc/21/96/62/278219662.db2.gz LMVYBLMOENOGGK-QNSTZXKLSA-N 1 0 347.320 -0.972 40 0 EBABRO C[N@H+](CCC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1)Cc1cccnc1 ZINC000257259198 536304326 /nfs/dbraw/zinc/30/43/26/536304326.db2.gz KXHHPQWKGKYZNQ-IAGOWNOFSA-N 1 0 348.447 -0.193 40 0 EBABRO C[NH+]1CCC(N2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)CC1 ZINC000257232192 244216812 /nfs/dbraw/zinc/21/68/12/244216812.db2.gz GJTZQSIQUAJBAS-HIFRSBDPSA-N 1 0 340.449 -0.625 40 0 EBABRO CN(C(=O)CC[NH3+])[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257255472 244281757 /nfs/dbraw/zinc/28/17/57/244281757.db2.gz KHPMCPHOZDWUGJ-KWBADKCTSA-N 1 0 333.396 -0.330 40 0 EBABRO COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C[C@H](O)CO)O2)no1 ZINC000077262769 203375453 /nfs/dbraw/zinc/37/54/53/203375453.db2.gz GBCNNVZIEVEXEP-NZBPQXDJSA-N 1 0 330.381 -0.785 40 0 biogenic,in-vitro EBABRO Cn1cnc(C(=O)N2CCCn3nnc(COCC[NH+](C)C)c3C2)n1 ZINC000585110545 376363222 /nfs/dbraw/zinc/36/32/22/376363222.db2.gz YGRNROQKHPZJCW-UHFFFAOYSA-N 1 0 348.411 -0.469 40 0 EBABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1cnccn1)C2 ZINC000096045452 376487508 /nfs/dbraw/zinc/48/75/08/376487508.db2.gz LLTUJLWUHYITDK-GFCCVEGCSA-N 1 0 345.407 -0.077 40 0 EBABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCO[C@@](C)(C(N)=O)C2)CC1 ZINC000585284062 376522860 /nfs/dbraw/zinc/52/28/60/376522860.db2.gz RBFXYACAQBODBB-CQSZACIVSA-N 1 0 329.397 -0.454 40 0 EBABRO Cn1cc(CN2C[C@H]3C[C@H](C(=O)N4CCN(C)CC4)[N@H+](C)[C@H]3C2)cn1 ZINC000096182576 376493036 /nfs/dbraw/zinc/49/30/36/376493036.db2.gz MYAAJSOBCGUWEB-ZACQAIPSSA-N 1 0 346.479 -0.301 40 0 EBABRO CCCNC(=O)C[C@H]1C[C@H]2O[C@H](C[NH2+]C3CCOCC3)[C@@H](O)[C@H]2O1 ZINC000604381750 378450257 /nfs/dbraw/zinc/45/02/57/378450257.db2.gz MQZRAWIPQBBPHA-ZJPZJRRFSA-N 1 0 342.436 -0.043 40 0 biogenic,in-vitro EBABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3cncnc3)C2)CC1 ZINC000257284326 379194210 /nfs/dbraw/zinc/19/42/10/379194210.db2.gz PCFYOTRIMRVFIA-QGZVFWFLSA-N 1 0 347.419 -0.346 40 0 EBABRO [NH3+]CCOCCOCCOCCOCCOCCOCCO ZINC000230494776 379687338 /nfs/dbraw/zinc/68/73/38/379687338.db2.gz DIJOLBMLEZIVNG-UHFFFAOYSA-N 1 0 325.402 -0.963 40 0 in-vitro EBABRO CC(=O)N1CCN(C[C@@H]2OC[C@H]([NH2+]Cc3ccccn3)[C@H]2O)CC1 ZINC000514289568 419058407 /nfs/dbraw/zinc/05/84/07/419058407.db2.gz VFFNYBHYSUUCTE-YESZJQIVSA-N 1 0 334.420 -0.536 40 0 biogenic,in-vitro EBABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)COc3ccccc3)[C@H]2O)CC1 ZINC000514288411 419059851 /nfs/dbraw/zinc/05/98/51/419059851.db2.gz DAXZFMRLUHRALS-XYJFISCASA-N 1 0 349.431 -0.443 40 0 biogenic,in-vitro EBABRO COCc1cn(C[C@H]2C[C@@H]([NH2+]C3CCOCC3)[C@H](O)[C@@H]2O)nn1 ZINC000225501497 420931050 /nfs/dbraw/zinc/93/10/50/420931050.db2.gz HGYBHWSVXULVPZ-QZKOUSHUSA-N 1 0 326.397 -0.697 40 0 biogenic,in-vitro EBABRO CC(=O)OC[C@@H]1O[C@H]([NH3+])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105823537 278219520 /nfs/dbraw/zinc/21/95/20/278219520.db2.gz LMVYBLMOENOGGK-MRTXSQPYSA-N 1 0 347.320 -0.972 40 0 EBABRO O=C(NCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1 ZINC000217374632 241246601 /nfs/dbraw/zinc/24/66/01/241246601.db2.gz GKIDGKHFVZZMRH-RYUDHWBXSA-N 1 0 332.809 -0.183 40 0 EBABRO C[C@@]1(CO)CC2(CN1S(C)(=O)=O)CCN(C(=O)CC[NH3+])CC2 ZINC000257216692 244169676 /nfs/dbraw/zinc/16/96/76/244169676.db2.gz CVSAJGPASBFNEJ-ZDUSSCGKSA-N 1 0 333.454 -0.640 40 0 EBABRO CS(=O)(=O)N1CCC(c2nn(C3CC[NH2+]CC3)c(=O)o2)CC1 ZINC000072389609 203213655 /nfs/dbraw/zinc/21/36/55/203213655.db2.gz AXJXBWSSJSJNRU-UHFFFAOYSA-N 1 0 330.410 -0.100 40 0 EBABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)CN1C(=O)CNC1=O ZINC000012366167 375961041 /nfs/dbraw/zinc/96/10/41/375961041.db2.gz DFADSDKUDLWPOA-ZDUSSCGKSA-N 1 0 346.387 -0.110 40 0 EBABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCCC2)C1 ZINC000585289857 376524460 /nfs/dbraw/zinc/52/44/60/376524460.db2.gz LEXBJZJDERUGIS-CABCVRRESA-N 1 0 326.418 -0.121 40 0 EBABRO CN(C(=O)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585285439 376522675 /nfs/dbraw/zinc/52/26/75/376522675.db2.gz CWPDTIURHOKKJR-OAGGEKHMSA-N 1 0 338.404 -0.180 40 0 EBABRO Cn1c(=O)cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)n(C)c1=O ZINC000100787035 376532593 /nfs/dbraw/zinc/53/25/93/376532593.db2.gz KSWPBWQYODVUEU-GFCCVEGCSA-N 1 0 346.391 -0.616 40 0 EBABRO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H]1O ZINC000096533296 379546323 /nfs/dbraw/zinc/54/63/23/379546323.db2.gz TZDKMQLHLBEKAY-OVYGPGRDSA-N 1 0 338.404 -0.126 40 0 biogenic,in-vitro EBABRO CC[C@@H](CO)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000028218620 379561744 /nfs/dbraw/zinc/56/17/44/379561744.db2.gz IDUUEMBENYQJIV-LBPRGKRZSA-N 1 0 338.412 -0.272 40 0 EBABRO O=C([C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1)N1CCOCC1 ZINC000008298038 419017789 /nfs/dbraw/zinc/01/77/89/419017789.db2.gz ICCDSWRSQYGCNP-BMFZPTHFSA-N 1 0 349.435 -0.618 40 0 biogenic,in-vitro EBABRO COc1ncccc1C(=O)N1CC[C@@](O)(C[NH+]2CCN(C)CC2)C1 ZINC000257236937 537152698 /nfs/dbraw/zinc/15/26/98/537152698.db2.gz HEKGZIRTCGKOBB-QGZVFWFLSA-N 1 0 334.420 -0.085 40 0 EBABRO NC(=O)[C@H]1CN(C(=O)c2cncnc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257241901 283355923 /nfs/dbraw/zinc/35/59/23/283355923.db2.gz IADZHKWUWQRDFY-CYBMUJFWSA-N 1 0 333.392 -0.485 40 0 EBABRO Cc1cnn(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)c1 ZINC000257201042 244121687 /nfs/dbraw/zinc/12/16/87/244121687.db2.gz AFYBJFKILKMNAS-AWEZNQCLSA-N 1 0 349.435 -0.384 40 0 EBABRO CS(=O)(=O)NCC(=O)N1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257203701 244127267 /nfs/dbraw/zinc/12/72/67/244127267.db2.gz ARGLIZHHAWJRRS-GFCCVEGCSA-N 1 0 342.421 -0.627 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H](C(N)=O)C1 ZINC000257235808 244229890 /nfs/dbraw/zinc/22/98/90/244229890.db2.gz GZOVLYLOQMJQHI-ZDUSSCGKSA-N 1 0 328.376 -0.244 40 0 EBABRO CN(C)S(=O)(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257259968 244293251 /nfs/dbraw/zinc/29/32/51/244293251.db2.gz LAUPWDDEBNYLSW-NSHDSACASA-N 1 0 327.397 -0.039 40 0 EBABRO CC(C)S(=O)(=O)NC1=NCN(CCC[NH+]2CCN(C)CC2)CN1 ZINC000040387378 376085780 /nfs/dbraw/zinc/08/57/80/376085780.db2.gz KALQURQXMVAVDT-UHFFFAOYSA-N 1 0 346.501 -0.872 40 0 EBABRO CC[N@@H+]1CC2(CCN(S(=O)(=O)N(C)C)CC2)[C@@]2(CCNC2=O)C1 ZINC000096243922 376499276 /nfs/dbraw/zinc/49/92/76/376499276.db2.gz ZRCDASXKQAYIJD-HNNXBMFYSA-N 1 0 344.481 -0.283 40 0 EBABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCO[C@](C)(C(=O)NC)C2)CC1 ZINC000585287488 376524565 /nfs/dbraw/zinc/52/45/65/376524565.db2.gz YAWMBDXCAQQWJU-HNNXBMFYSA-N 1 0 343.424 -0.193 40 0 EBABRO C[N@H+](C1CCN(C(=O)Cc2ccccn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288401 376524788 /nfs/dbraw/zinc/52/47/88/376524788.db2.gz ZQGLGFPZALWFLI-NUJGCVRESA-N 1 0 349.431 -0.333 40 0 EBABRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1 ZINC000096197324 376491957 /nfs/dbraw/zinc/49/19/57/376491957.db2.gz NFBWRDFOQIYBAM-UHFFFAOYSA-N 1 0 348.451 -0.102 40 0 EBABRO CC(C)C[N@@H+](CC(=O)Nc1cnn(C)c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290983 376525764 /nfs/dbraw/zinc/52/57/64/376525764.db2.gz JTOBQAUYFDZCSX-XPKDYRNWSA-N 1 0 340.424 -0.315 40 0 EBABRO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CN(CC(N)=O)CCO3)n2n1 ZINC000257279600 379194981 /nfs/dbraw/zinc/19/49/81/379194981.db2.gz OHILPUFMPJELTP-CYBMUJFWSA-N 1 0 332.408 -0.042 40 0 EBABRO NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C(=O)CCC[NH3+])C[C@H]1O ZINC000257288396 379195693 /nfs/dbraw/zinc/19/56/93/379195693.db2.gz PUAONFLPNNMLFZ-CHWSQXEVSA-N 1 0 331.376 -0.382 40 0 EBABRO O=C([C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1)N1CCOCC1 ZINC000008298097 418950317 /nfs/dbraw/zinc/95/03/17/418950317.db2.gz UOHPYQWHMVSJQF-YUELXQCFSA-N 1 0 335.408 -0.660 40 0 biogenic,in-vitro EBABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514288846 419059765 /nfs/dbraw/zinc/05/97/65/419059765.db2.gz GRCBRFWADWMAHC-CBBWQLFWSA-N 1 0 343.424 -0.733 40 0 biogenic,in-vitro EBABRO C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000408404356 419256371 /nfs/dbraw/zinc/25/63/71/419256371.db2.gz IFNGUMGALBRUMG-CYBMUJFWSA-N 1 0 342.440 -0.668 40 0 EBABRO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2CCOCC2)C1 ZINC000257328442 419303484 /nfs/dbraw/zinc/30/34/84/419303484.db2.gz XFQOCLHXELDAIQ-ZDUSSCGKSA-N 1 0 333.454 -0.648 40 0 EBABRO CC(=O)OC[C@H]1O[C@@H]([NH3+])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000031750025 278219898 /nfs/dbraw/zinc/21/98/98/278219898.db2.gz LMVYBLMOENOGGK-PEBLQZBPSA-N 1 0 347.320 -0.972 40 0 EBABRO CCS(=O)(=O)N1CCCn2nnc(COCC[NH+](C)C)c2C1 ZINC000096058838 280013026 /nfs/dbraw/zinc/01/30/26/280013026.db2.gz IKQGDYRSWZSCPU-UHFFFAOYSA-N 1 0 331.442 -0.088 40 0 EBABRO Cn1nnc2c1[C@H](COCC[NH+]1CCCC1)CN(S(C)(=O)=O)C2 ZINC000096045483 303105862 /nfs/dbraw/zinc/10/58/62/303105862.db2.gz IDEWNZFBHXUFPQ-LBPRGKRZSA-N 1 0 343.453 -0.214 40 0 EBABRO O=C(NCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1 ZINC000217374798 241245598 /nfs/dbraw/zinc/24/55/98/241245598.db2.gz GKIDGKHFVZZMRH-NEPJUHHUSA-N 1 0 332.809 -0.183 40 0 EBABRO CC1CCN([C@H]2[C@@H](C[NH2+]C3CCOCC3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466027 212134788 /nfs/dbraw/zinc/13/47/88/212134788.db2.gz YHVOMJQYPZQTIV-LTIDMASMSA-N 1 0 328.453 -0.024 40 0 biogenic,in-vitro EBABRO CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCC(C)CC1 ZINC000020466005 212134500 /nfs/dbraw/zinc/13/45/00/212134500.db2.gz VVVBXYGILWHEDD-CBBWQLFWSA-N 1 0 329.441 -0.085 40 0 biogenic,in-vitro EBABRO CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O ZINC000257262727 244352128 /nfs/dbraw/zinc/35/21/28/244352128.db2.gz LMOYVQJSCZNUQQ-HUUCEWRRSA-N 1 0 345.407 -0.448 40 0 EBABRO Cc1nn(C)cc1S(=O)(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257265087 244357596 /nfs/dbraw/zinc/35/75/96/244357596.db2.gz LXHQKMNHKMACBO-AWEZNQCLSA-N 1 0 328.438 -0.050 40 0 EBABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(S(=O)(=O)C1CC1)C2 ZINC000096198527 203862374 /nfs/dbraw/zinc/86/23/74/203862374.db2.gz OUKPMEGZZRFLAW-LLVKDONJSA-N 1 0 343.453 -0.215 40 0 EBABRO Cc1ccc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000004794491 375898941 /nfs/dbraw/zinc/89/89/41/375898941.db2.gz BCQIMMGLHQSLBH-LLVKDONJSA-N 1 0 327.410 -0.610 40 0 EBABRO Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104502 376360952 /nfs/dbraw/zinc/36/09/52/376360952.db2.gz PIEWCQYAIMGFCX-KBPBESRZSA-N 1 0 349.435 -0.107 40 0 EBABRO CNC(=O)C[C@@]1(O)COCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000585280222 376518125 /nfs/dbraw/zinc/51/81/25/376518125.db2.gz CXAYWIJSTKCHTR-INIZCTEOSA-N 1 0 327.425 -0.556 40 0 EBABRO CNC(=O)C[C@@]1(O)COCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000585280520 376521884 /nfs/dbraw/zinc/52/18/84/376521884.db2.gz JVFXLUCGHZJTFI-KRWDZBQOSA-N 1 0 338.404 -0.243 40 0 EBABRO CCOC(=O)N1CCC(O)(C[N@@H+]2C[C@@H]3OCC(=O)N(C)[C@H]3C2)CC1 ZINC000585283991 376522370 /nfs/dbraw/zinc/52/23/70/376522370.db2.gz QGZCMQJQGFRRHW-STQMWFEESA-N 1 0 341.408 -0.489 40 0 EBABRO O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCO)C1 ZINC000585285394 376522635 /nfs/dbraw/zinc/52/26/35/376522635.db2.gz JKKCVSLYJMVCCX-HIFRSBDPSA-N 1 0 328.796 -0.140 40 0 EBABRO CN(C)CC[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585291825 376528452 /nfs/dbraw/zinc/52/84/52/376528452.db2.gz TYFQHQIGSMZVHG-AEFFLSMTSA-N 1 0 335.448 -0.295 40 0 EBABRO COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000604382013 378450431 /nfs/dbraw/zinc/45/04/31/378450431.db2.gz YXNJSDSULLKZNU-OAHLLOKOSA-N 1 0 339.436 -0.591 40 0 biogenic,in-vitro EBABRO C[C@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000054979046 379137490 /nfs/dbraw/zinc/13/74/90/379137490.db2.gz QVCMHGGNRFRMAD-UHHUMBINSA-N 1 0 325.361 -0.393 40 0 biogenic,in-vitro EBABRO Cn1c2nc(NN)n(CC[NH2+]Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000618255975 382046008 /nfs/dbraw/zinc/04/60/08/382046008.db2.gz CVLUFCNOYYDYCP-UHFFFAOYSA-N 1 0 329.364 -0.089 40 0 EBABRO COc1ccc(S(=O)(=O)N(CC[NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575424427 382107378 /nfs/dbraw/zinc/10/73/78/382107378.db2.gz AGBHBNYTJBNNKU-NSHDSACASA-N 1 0 348.446 -0.168 40 0 EBABRO COc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575426705 382112527 /nfs/dbraw/zinc/11/25/27/382112527.db2.gz YMGVSPLDZDSYCV-LLVKDONJSA-N 1 0 348.446 -0.250 40 0 EBABRO COCCN1C(=O)CO[C@H]2C[N@H+](C3CCN(C(C)=O)CC3)C[C@@H]21 ZINC000257219710 285005219 /nfs/dbraw/zinc/00/52/19/285005219.db2.gz DHVABNPKVDSDCW-GJZGRUSLSA-N 1 0 325.409 -0.445 40 0 EBABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccncn1)C2 ZINC000096045458 419043201 /nfs/dbraw/zinc/04/32/01/419043201.db2.gz PMUIZQCPZCOJBC-GFCCVEGCSA-N 1 0 345.407 -0.077 40 0 EBABRO CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257326428 419302350 /nfs/dbraw/zinc/30/23/50/419302350.db2.gz WXEADQDFASHCMM-QGZVFWFLSA-N 1 0 349.435 -0.069 40 0 EBABRO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+](C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257334618 419303425 /nfs/dbraw/zinc/30/34/25/419303425.db2.gz YGRPHMSRTLRFAJ-MGPQQGTHSA-N 1 0 338.408 -0.148 40 0 EBABRO C[NH+]1CCN(CCNc2cc(C(F)(F)F)nc(NCCO)n2)CC1 ZINC000328970334 419507799 /nfs/dbraw/zinc/50/77/99/419507799.db2.gz DJAZCBUQBXDLMQ-UHFFFAOYSA-N 1 0 348.373 -0.597 40 0 EBABRO CC(=O)OC[C@@H]1O[C@@H]([NH3+])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000068603009 278219311 /nfs/dbraw/zinc/21/93/11/278219311.db2.gz LMVYBLMOENOGGK-HTVCTNPSSA-N 1 0 347.320 -0.972 40 0 EBABRO CS(=O)(=O)N1CCC[C@@]12CCN(C(=O)C1CC[NH2+]CC1)C[C@@H]2O ZINC000257213745 295520414 /nfs/dbraw/zinc/52/04/14/295520414.db2.gz CIXHJNXZWHJTTQ-ZFWWWQNUSA-N 1 0 345.465 -0.627 40 0 EBABRO CCn1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)cn1 ZINC000257255400 536027244 /nfs/dbraw/zinc/02/72/44/536027244.db2.gz KHHQXIMJRHYUBP-CQSZACIVSA-N 1 0 349.435 -0.059 40 0 EBABRO COc1ncccc1C(=O)N1CC[C@](O)(C[NH+]2CCN(C)CC2)C1 ZINC000257236936 537152450 /nfs/dbraw/zinc/15/24/50/537152450.db2.gz HEKGZIRTCGKOBB-KRWDZBQOSA-N 1 0 334.420 -0.085 40 0 EBABRO CC(C)([NH3+])C(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1 ZINC000257208311 535196179 /nfs/dbraw/zinc/19/61/79/535196179.db2.gz BLPPQMDHXJKTFW-AWEZNQCLSA-N 1 0 342.421 -0.800 40 0 EBABRO COC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818065 202021846 /nfs/dbraw/zinc/02/18/46/202021846.db2.gz VHXYZMHZVBSCRQ-ZIAGYGMSSA-N 1 0 344.371 -0.223 40 0 EBABRO [NH3+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1 ZINC000020465337 212134965 /nfs/dbraw/zinc/13/49/65/212134965.db2.gz IEARSSSKVUHPEZ-FXUDXRNXSA-N 1 0 325.384 -0.604 40 0 biogenic,in-vitro EBABRO OC[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@H](N2CCOCC2)[C@@H]1O ZINC000020464767 212134372 /nfs/dbraw/zinc/13/43/72/212134372.db2.gz WYHSHELRUJUCSP-LTIDMASMSA-N 1 0 340.395 -0.263 40 0 biogenic,in-vitro EBABRO CN(C)c1ncc(C(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)cn1 ZINC000257261019 244348229 /nfs/dbraw/zinc/34/82/29/244348229.db2.gz LFLCATPXLPLMCV-QGZVFWFLSA-N 1 0 348.451 -0.633 40 0 EBABRO N=C(NC(N)=[NH2+])Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000005616289 375906680 /nfs/dbraw/zinc/90/66/80/375906680.db2.gz HKEPGPNVTMOYEZ-UHFFFAOYSA-N 1 0 326.382 -0.463 40 0 EBABRO COC(=O)[C@@H]1CN(C(=O)C[NH3+])CCN1C(=O)OCc1ccccc1 ZINC000079418569 376085872 /nfs/dbraw/zinc/08/58/72/376085872.db2.gz LZEKWDUICPQRAF-ZDUSSCGKSA-N 1 0 335.360 -0.032 40 0 EBABRO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096246235 376499492 /nfs/dbraw/zinc/49/94/92/376499492.db2.gz YMXBBUKFDGOPSG-ZIAGYGMSSA-N 1 0 327.454 -0.020 40 0 EBABRO CNC(=O)C[C@@]1(O)COCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000585280196 376518936 /nfs/dbraw/zinc/51/89/36/376518936.db2.gz CEKUYVXMLGCMIZ-INIZCTEOSA-N 1 0 327.425 -0.413 40 0 EBABRO CN1CC[NH+](C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585282308 376520964 /nfs/dbraw/zinc/52/09/64/376520964.db2.gz DDBRDXNBRNXGJD-PKOBYXMFSA-N 1 0 347.459 -0.199 40 0 EBABRO C[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(S(C)(=O)=O)CC[C@@H]12 ZINC000096145297 376492559 /nfs/dbraw/zinc/49/25/59/376492559.db2.gz MTJNHSBBFOZVMA-UKRRQHHQSA-N 1 0 345.465 -0.409 40 0 EBABRO Cn1c(=O)cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)n(C)c1=O ZINC000100787038 376533891 /nfs/dbraw/zinc/53/38/91/376533891.db2.gz KSWPBWQYODVUEU-LBPRGKRZSA-N 1 0 346.391 -0.616 40 0 EBABRO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CN(CC(N)=O)CCO3)n2n1 ZINC000257279601 379195709 /nfs/dbraw/zinc/19/57/09/379195709.db2.gz OHILPUFMPJELTP-ZDUSSCGKSA-N 1 0 332.408 -0.042 40 0 EBABRO CC(C)[NH+]1CCN(c2nc3c(N)ncn(C[C@@H](O)CO)c-3n2)CC1 ZINC000005260927 381195647 /nfs/dbraw/zinc/19/56/47/381195647.db2.gz RLJJWIPPVKXYTG-LLVKDONJSA-N 1 0 335.412 -0.756 40 0 EBABRO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)[C@H]2SC(S(N)(=O)=O)=C[C@@H]21 ZINC000040456537 381229903 /nfs/dbraw/zinc/22/99/03/381229903.db2.gz GKNQVLUQWYYZMY-PYHGXSLLSA-N 1 0 326.465 -0.010 40 0 EBABRO COc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000575426706 382112093 /nfs/dbraw/zinc/11/20/93/382112093.db2.gz YMGVSPLDZDSYCV-NSHDSACASA-N 1 0 348.446 -0.250 40 0 EBABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1 ZINC000514288905 419059531 /nfs/dbraw/zinc/05/95/31/419059531.db2.gz LHCLPIHRCCURBS-SGMGOOAPSA-N 1 0 325.434 -0.146 40 0 biogenic,in-vitro EBABRO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000257326427 419302201 /nfs/dbraw/zinc/30/22/01/419302201.db2.gz WXEADQDFASHCMM-KRWDZBQOSA-N 1 0 349.435 -0.069 40 0 EBABRO CN(C)C(=O)[C@H]1CN(C2CCN(S(C)(=O)=O)CC2)CC[N@H+](C)C1 ZINC000257263175 419302387 /nfs/dbraw/zinc/30/23/87/419302387.db2.gz LOTCGUBYLUQRDR-CYBMUJFWSA-N 1 0 346.497 -0.638 40 0 EBABRO Cc1cc(C)n(CC(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)n1 ZINC000257340922 419304190 /nfs/dbraw/zinc/30/41/90/419304190.db2.gz ZICXJGXPBFTZMY-KRWDZBQOSA-N 1 0 335.452 -0.289 40 0 EBABRO CS(=O)(=O)NCCNC(=O)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257305859 244476402 /nfs/dbraw/zinc/47/64/02/244476402.db2.gz SRWLHOORBZVRKZ-CYBMUJFWSA-N 1 0 344.412 -0.731 40 0 EBABRO OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@@H+]1CCCCCCOCC(F)(F)F ZINC000077312061 376340768 /nfs/dbraw/zinc/34/07/68/376340768.db2.gz XZWXZUXXANFWSU-YVECIDJPSA-N 1 0 345.358 -0.115 40 0 in-vitro EBABRO CN(C)C(=O)C[N@@H+]1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099494 376361260 /nfs/dbraw/zinc/36/12/60/376361260.db2.gz OCUWLXJUNWLRAI-QGZVFWFLSA-N 1 0 332.404 -0.098 40 0 EBABRO CC[N@@H+]1CC2(CCN(S(=O)(=O)N(C)C)CC2)[C@]2(CCNC2=O)C1 ZINC000096243921 376499571 /nfs/dbraw/zinc/49/95/71/376499571.db2.gz ZRCDASXKQAYIJD-OAHLLOKOSA-N 1 0 344.481 -0.283 40 0 EBABRO CC(=O)N1CCC(O)(C[N@H+]2CCN(C)C[C@H](C(=O)N(C)C)C2)CC1 ZINC000585263380 376504009 /nfs/dbraw/zinc/50/40/09/376504009.db2.gz XXMFYZNUVQHBHL-HNNXBMFYSA-N 1 0 340.468 -0.688 40 0 EBABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCO)[C@@H](O)C1 ZINC000585290741 376524623 /nfs/dbraw/zinc/52/46/23/376524623.db2.gz WMIIETRTCQTNKZ-ZFWWWQNUSA-N 1 0 328.796 -0.140 40 0 EBABRO C[C@]1(C(=O)NCC[NH+]2CCCCC2)CN(S(C)(=O)=O)CCO1 ZINC000257312410 379201666 /nfs/dbraw/zinc/20/16/66/379201666.db2.gz UNVHVLILZKGWFY-CQSZACIVSA-N 1 0 333.454 -0.361 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257291560 379194477 /nfs/dbraw/zinc/19/44/77/379194477.db2.gz QHNPLQQFSIUGJW-JTQLQIEISA-N 1 0 329.360 -0.588 40 0 EBABRO COc1ccc(C[NH2+][C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)cc1 ZINC000077264532 381191837 /nfs/dbraw/zinc/19/18/37/381191837.db2.gz CTKMXOJSJWMBQC-MCIONIFRSA-N 1 0 330.406 -0.538 40 0 biogenic,in-vitro EBABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1 ZINC000514289345 419059973 /nfs/dbraw/zinc/05/99/73/419059973.db2.gz QTALSXIAGPISOW-HRCADAONSA-N 1 0 337.395 -0.069 40 0 biogenic,in-vitro EBABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3cnco3)C2)CC1 ZINC000257328733 419304013 /nfs/dbraw/zinc/30/40/13/419304013.db2.gz XGWJAWWZVDUVEJ-MRXNPFEDSA-N 1 0 336.392 -0.148 40 0 EBABRO COCc1cn(C[C@H]2C[C@@H]([NH2+]Cc3cccnc3)[C@H](O)[C@@H]2O)nn1 ZINC000225501727 420931126 /nfs/dbraw/zinc/93/11/26/420931126.db2.gz XDJYIBVZQCAINN-MIGQKNRLSA-N 1 0 333.392 -0.280 40 0 biogenic,in-vitro EBABRO Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH+](C)C)[C@@H](O)[C@H]2O1 ZINC000225520379 420933748 /nfs/dbraw/zinc/93/37/48/420933748.db2.gz PPDJXLYTKROVLY-TVJKQAJBSA-N 1 0 338.408 -0.726 40 0 biogenic,in-vitro EBABRO Nc1nc2c(c(N)n1)C[C@]1(COCCN(C(=O)C3CC[NH2+]CC3)C1)O2 ZINC000257335902 295369993 /nfs/dbraw/zinc/36/99/93/295369993.db2.gz YMJRQAXFPZSLSY-INIZCTEOSA-N 1 0 348.407 -0.827 40 0 EBABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CN2C(=O)CNC2=O)cc1 ZINC000257205645 244134195 /nfs/dbraw/zinc/13/41/95/244134195.db2.gz AZZPWRQKSZBFNV-ZDUSSCGKSA-N 1 0 332.360 -0.280 40 0 EBABRO C[N@@H+]1CCN(C(=O)CCn2nnc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257239589 244239535 /nfs/dbraw/zinc/23/95/35/244239535.db2.gz HPZYWUVFFZQKSA-GFCCVEGCSA-N 1 0 330.392 -0.303 40 0 EBABRO NC(=O)[C@@H]1CN(C(=O)c2cncnc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257241902 244243692 /nfs/dbraw/zinc/24/36/92/244243692.db2.gz IADZHKWUWQRDFY-ZDUSSCGKSA-N 1 0 333.392 -0.485 40 0 EBABRO Cc1nn(C)cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257251773 244271116 /nfs/dbraw/zinc/27/11/16/244271116.db2.gz JSDDOMAXUGYIRF-ZDUSSCGKSA-N 1 0 349.435 -0.233 40 0 EBABRO COc1cccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnc[nH]3)C2)c1 ZINC000257265571 244360730 /nfs/dbraw/zinc/36/07/30/244360730.db2.gz LZFUUNLNRFXOHW-WBVHZDCISA-N 1 0 346.387 -0.244 40 0 EBABRO NC(=O)CC[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585289423 376524186 /nfs/dbraw/zinc/52/41/86/376524186.db2.gz FXLMPHSNQZOHQK-YJBOKZPZSA-N 1 0 349.431 -0.592 40 0 EBABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCO)C1 ZINC000585289460 376524379 /nfs/dbraw/zinc/52/43/79/376524379.db2.gz HAMWXXHKSJEMKX-ZBFHGGJFSA-N 1 0 342.823 -0.211 40 0 EBABRO CNC(=O)C[C@]1(O)COCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000585280527 376521285 /nfs/dbraw/zinc/52/12/85/376521285.db2.gz JVFXLUCGHZJTFI-QGZVFWFLSA-N 1 0 338.404 -0.243 40 0 EBABRO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCCC2)C1 ZINC000585282213 376522712 /nfs/dbraw/zinc/52/27/12/376522712.db2.gz BSKWRIICZQTJKU-CYBMUJFWSA-N 1 0 347.481 -0.427 40 0 EBABRO C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCN(S(C)(=O)=O)C[C@H]3O2)CC1 ZINC000096043006 376487782 /nfs/dbraw/zinc/48/77/82/376487782.db2.gz JLNPAJDCFFJKFI-FPMFFAJLSA-N 1 0 345.465 -0.364 40 0 EBABRO CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000585289078 376525327 /nfs/dbraw/zinc/52/53/27/376525327.db2.gz FHKRBFWNDAYERE-XQCNYHOHSA-N 1 0 338.452 -0.724 40 0 EBABRO O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCCO)C1 ZINC000585290870 376525952 /nfs/dbraw/zinc/52/59/52/376525952.db2.gz WYZWJOKAYWFUIN-CABCVRRESA-N 1 0 344.433 -0.855 40 0 EBABRO [NH3+]CCCCC(=O)N1C[C@H](O)[C@@H](n2cc(Cl)c(=O)[nH]c2=O)C1 ZINC000257311522 379197257 /nfs/dbraw/zinc/19/72/57/379197257.db2.gz UJWZOVQIQIADBH-UWVGGRQHSA-N 1 0 330.772 -0.525 40 0 EBABRO COCCNC(=O)N[C@H]1CO[C@@H](C[N@@H+]2CCC[C@@H]2COC)[C@@H]1O ZINC000514289021 419058368 /nfs/dbraw/zinc/05/83/68/419058368.db2.gz OBEWYOHLCZNRSA-ZOBORPQBSA-N 1 0 331.413 -0.829 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@@H]1CN(C(=O)c2ccc3oc(=O)n(C)c3c2)CC[N@H+](C)C1 ZINC000257331023 419304034 /nfs/dbraw/zinc/30/40/34/419304034.db2.gz XRBLWAFLLXRADJ-LBPRGKRZSA-N 1 0 346.387 -0.119 40 0 EBABRO CN1CCN(C(=O)[C@H]2C[C@@H]3CN(c4ncc(F)cn4)C[C@@H]3[N@@H+]2C)CC1 ZINC000096182587 277214190 /nfs/dbraw/zinc/21/41/90/277214190.db2.gz MHDTXBUWAIBKOW-YUELXQCFSA-N 1 0 348.426 -0.101 40 0 EBABRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000257262028 535973762 /nfs/dbraw/zinc/97/37/62/535973762.db2.gz LJRXPIWTDXKPNW-INIZCTEOSA-N 1 0 340.424 -0.378 40 0 EBABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC000257276794 536414664 /nfs/dbraw/zinc/41/46/64/536414664.db2.gz NVDAQARIRQDONQ-KRWDZBQOSA-N 1 0 344.419 -0.218 40 0 EBABRO O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000952844664 803808944 /nfs/dbraw/zinc/80/89/44/803808944.db2.gz FTCFDYIAECGALE-DGXTUMSLSA-N 1 0 346.343 -0.178 40 0 biogenic,in-vitro EBABRO COCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2OC)C[C@H]1O ZINC000257206217 244134522 /nfs/dbraw/zinc/13/45/22/244134522.db2.gz BCLNFIHVTORNFN-NVXWUHKLSA-N 1 0 338.404 -0.245 40 0 EBABRO COC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818066 212072323 /nfs/dbraw/zinc/07/23/23/212072323.db2.gz VHXYZMHZVBSCRQ-UONOGXRCSA-N 1 0 344.371 -0.223 40 0 EBABRO C[NH+](C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000020457305 376008157 /nfs/dbraw/zinc/00/81/57/376008157.db2.gz GXFMNFFFTATHOV-CYBMUJFWSA-N 1 0 327.406 -0.109 40 0 EBABRO CCS(=O)(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC000096059429 376487799 /nfs/dbraw/zinc/48/77/99/376487799.db2.gz KFTRZNNPQOUMDI-UHFFFAOYSA-N 1 0 327.454 -0.204 40 0 EBABRO CC1(C)CC(NC(=O)C(=O)NCCN2CCOCC2)CC(C)(C)[NH2+]1 ZINC000170367616 377009013 /nfs/dbraw/zinc/00/90/13/377009013.db2.gz KSMKSLJLDOKFKF-UHFFFAOYSA-N 1 0 340.468 -0.140 40 0 EBABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2CC(=O)N2CCOCC2)c1 ZINC000257228405 379191565 /nfs/dbraw/zinc/19/15/65/379191565.db2.gz FTSBPLGYEGOEKR-INIZCTEOSA-N 1 0 346.431 -0.149 40 0 EBABRO CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000257257209 379193132 /nfs/dbraw/zinc/19/31/32/379193132.db2.gz KOOHYJIWQMBGRQ-OAHLLOKOSA-N 1 0 338.452 -0.085 40 0 EBABRO CC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)CC1 ZINC000257294823 379198186 /nfs/dbraw/zinc/19/81/86/379198186.db2.gz QVWRJMAAVMBLDL-HZPDHXFCSA-N 1 0 332.404 -0.133 40 0 EBABRO C[C@@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000000899315 287190345 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biogenic,in-vitro EBABRO COc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCC(N)=O ZINC000022075768 378434350 /nfs/dbraw/zinc/43/43/50/378434350.db2.gz PCYIPUMMQUIYSZ-UHFFFAOYSA-N 1 0 331.800 -0.116 40 0 EBABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3ccn(C)n3)C2)CC1 ZINC000257312423 379200739 /nfs/dbraw/zinc/20/07/39/379200739.db2.gz UNWQWEOVDAVBBY-QGZVFWFLSA-N 1 0 349.435 -0.402 40 0 EBABRO COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2OC)[C@@H]1O ZINC000096533302 379545651 /nfs/dbraw/zinc/54/56/51/379545651.db2.gz TYNPPJNNDWJULG-OVYGPGRDSA-N 1 0 338.404 -0.126 40 0 biogenic,in-vitro EBABRO CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(NC(C)=O)CN(C(C)=O)C[C@H]2C1 ZINC000019713042 381198143 /nfs/dbraw/zinc/19/81/43/381198143.db2.gz SDPZAQWQDKGKAS-NVXWUHKLSA-N 1 0 338.452 -0.086 40 0 EBABRO C[N@@H+]1CCN(C(=O)Cn2c3ccccc3oc2=O)C[C@@H](C(N)=O)C1 ZINC000257325128 419302012 /nfs/dbraw/zinc/30/20/12/419302012.db2.gz WROUENQJAJUMIL-NSHDSACASA-N 1 0 332.360 -0.530 40 0 EBABRO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](C2CCOCC2)C1 ZINC000257210900 419302080 /nfs/dbraw/zinc/30/20/80/419302080.db2.gz BWPWYOQUHIECRR-GFCCVEGCSA-N 1 0 333.454 -0.553 40 0 EBABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)CCn1nnc2ccccc21 ZINC000257327012 419302866 /nfs/dbraw/zinc/30/28/66/419302866.db2.gz WZMSZGGCYSKLMA-YPMHNXCESA-N 1 0 330.392 -0.386 40 0 EBABRO C[C@]12C[C@H]3CN(C(=O)Cn4ccc(=O)[nH]c4=O)C[C@H](CC[C@@H]1[NH2+]3)[C@H]2O ZINC000257318003 419302901 /nfs/dbraw/zinc/30/29/01/419302901.db2.gz VMCBZSDCKTZHQV-ZAZMCIGGSA-N 1 0 348.403 -0.701 40 0 EBABRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[NH2+]CC[C@@H]12 ZINC000306141664 419409019 /nfs/dbraw/zinc/40/90/19/419409019.db2.gz WDGCYWOGSKEJNN-OCCSQVGLSA-N 1 0 331.438 -0.751 40 0 EBABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC3)[C@@H](O)[C@H]2O1 ZINC000225515545 420934828 /nfs/dbraw/zinc/93/48/28/420934828.db2.gz HFCYISYWGKFSCP-HGYYMRRCSA-N 1 0 328.409 -0.433 40 0 biogenic,in-vitro EBABRO CC(=O)N1CCN([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)CC1 ZINC000257270281 276996543 /nfs/dbraw/zinc/99/65/43/276996543.db2.gz MTNBOESYURAXLV-HZPDHXFCSA-N 1 0 338.452 -0.936 40 0 EBABRO CC(=O)OC[C@H]1O[C@H]([NH3+])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000083261403 277093523 /nfs/dbraw/zinc/09/35/23/277093523.db2.gz LMVYBLMOENOGGK-RGDJUOJXSA-N 1 0 347.320 -0.972 40 0 EBABRO COC[C@H]1CCCN1[C@H]1[C@@H](C[NH2+]C2CCOCC2)O[C@@H](CO)[C@H]1O ZINC000020465328 212134470 /nfs/dbraw/zinc/13/44/70/212134470.db2.gz NTFASRTXNQUZAG-UHDSXZAQSA-N 1 0 344.452 -0.645 40 0 biogenic,in-vitro EBABRO NC(=O)C1CC[NH+](CC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)CC1 ZINC000257237883 244236207 /nfs/dbraw/zinc/23/62/07/244236207.db2.gz HIQIECWBTGNQFY-BBRMVZONSA-N 1 0 325.409 -0.674 40 0 EBABRO Cn1c(=O)cnn(CCCC[NH+]2CCN(c3ncccn3)CC2)c1=O ZINC000002003628 375878197 /nfs/dbraw/zinc/87/81/97/375878197.db2.gz NMYAHEULKSYAPP-UHFFFAOYSA-N 1 0 345.407 -0.666 40 0 in-man EBABRO C[N@@H+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H](C(N)=O)C1 ZINC000257291561 379195979 /nfs/dbraw/zinc/19/59/79/379195979.db2.gz QHNPLQQFSIUGJW-SNVBAGLBSA-N 1 0 329.360 -0.588 40 0 EBABRO Cn1nnc2c1[C@@H](COCC[NH+]1CCCC1)CN(S(C)(=O)=O)C2 ZINC000096045482 218531995 /nfs/dbraw/zinc/53/19/95/218531995.db2.gz IDEWNZFBHXUFPQ-GFCCVEGCSA-N 1 0 343.453 -0.214 40 0 EBABRO CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCOCC3)[C@@H](O)[C@H]2O1 ZINC000225513179 420934506 /nfs/dbraw/zinc/93/45/06/420934506.db2.gz YJYRKKFRBZCGQC-SZVRAQGESA-N 1 0 342.436 -0.045 40 0 biogenic,in-vitro EBABRO CC(=O)OC[C@@H]1O[C@H]([NH3+])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245239671 278219693 /nfs/dbraw/zinc/21/96/93/278219693.db2.gz LMVYBLMOENOGGK-YHQUGGNUSA-N 1 0 347.320 -0.972 40 0 EBABRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC000002012357 280313371 /nfs/dbraw/zinc/31/33/71/280313371.db2.gz YSPZCHGIWAQVKQ-AVGNSLFASA-N 1 0 342.440 -0.341 40 0 EBABRO CNC(=O)[C@@H]1CN(C(=O)Cn2c3ccccc3oc2=O)CC[N@H+](C)C1 ZINC000257207649 536398781 /nfs/dbraw/zinc/39/87/81/536398781.db2.gz BIPYBVFFQIFVJX-LBPRGKRZSA-N 1 0 346.387 -0.269 40 0 EBABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)[C@H]1CCCO1)C2 ZINC000096045464 282109112 /nfs/dbraw/zinc/10/91/12/282109112.db2.gz TZJZWEWFWJMCBN-TZMCWYRMSA-N 1 0 337.424 -0.002 40 0 EBABRO O=C(NC[C@]1(O)C[N@@H+](Cc2cccs2)C[C@H]1O)c1cnccn1 ZINC000257250123 244267823 /nfs/dbraw/zinc/26/78/23/244267823.db2.gz JLCZTXZFPCSMRV-HIFRSBDPSA-N 1 0 334.401 -0.124 40 0 EBABRO CC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000257258492 244290475 /nfs/dbraw/zinc/29/04/75/244290475.db2.gz KUFYSHOLHLBWTK-TZMCWYRMSA-N 1 0 338.433 -0.071 40 0 EBABRO CN(C)S(=O)(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257259967 244293012 /nfs/dbraw/zinc/29/30/12/244293012.db2.gz LAUPWDDEBNYLSW-LLVKDONJSA-N 1 0 327.397 -0.039 40 0 EBABRO COC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818068 212072359 /nfs/dbraw/zinc/07/23/59/212072359.db2.gz VHXYZMHZVBSCRQ-KBPBESRZSA-N 1 0 344.371 -0.223 40 0 EBABRO C[NH+](CCSC[C@H]([NH3+])C(=O)[O-])CCSC[C@H]([NH3+])C(=O)[O-] ZINC000001593491 375876528 /nfs/dbraw/zinc/87/65/28/375876528.db2.gz SWTAINZEIHZNFH-IUCAKERBSA-N 1 0 325.456 -0.792 40 0 EBABRO COc1ccc(COC[C@H](O)C[NH+](CCO)CCO)cc1OC ZINC000002686821 375886681 /nfs/dbraw/zinc/88/66/81/375886681.db2.gz FJMXRTQDSKUXKF-CQSZACIVSA-N 1 0 329.393 -0.132 40 0 EBABRO C[NH+](C)CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000005272414 375904349 /nfs/dbraw/zinc/90/43/49/375904349.db2.gz FUPNGOYQRXGMBD-UHFFFAOYSA-N 1 0 325.390 -0.101 40 0 EBABRO COCc1cn(C[C@H]2C[C@H]3CC[N@@H+]2C[C@@H]3C(=O)N2CCOCC2)nn1 ZINC000008298082 375920344 /nfs/dbraw/zinc/92/03/44/375920344.db2.gz LNBSKKFTXYRUKH-BMFZPTHFSA-N 1 0 349.435 -0.006 40 0 biogenic,in-vitro EBABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC000585284668 376522074 /nfs/dbraw/zinc/52/20/74/376522074.db2.gz UWDUIBSXUHFAHO-HKUYNNGSSA-N 1 0 347.459 -0.199 40 0 EBABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1ccnnc1)C2 ZINC000096068820 376488615 /nfs/dbraw/zinc/48/86/15/376488615.db2.gz BBSPBFOFKZQRSH-ZDUSSCGKSA-N 1 0 345.407 -0.077 40 0 EBABRO CC(C)[NH+]1CCN(c2nc3c(N)ncn(C[C@H](O)CO)c-3n2)CC1 ZINC000005260926 377378961 /nfs/dbraw/zinc/37/89/61/377378961.db2.gz RLJJWIPPVKXYTG-NSHDSACASA-N 1 0 335.412 -0.756 40 0 EBABRO CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000257257208 379192578 /nfs/dbraw/zinc/19/25/78/379192578.db2.gz KOOHYJIWQMBGRQ-HNNXBMFYSA-N 1 0 338.452 -0.085 40 0 EBABRO CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CC[N@@H+](C2CCOCC2)C1 ZINC000257282500 379195896 /nfs/dbraw/zinc/19/58/96/379195896.db2.gz OTYUTFYUOUQHNM-ZDUSSCGKSA-N 1 0 349.435 -0.281 40 0 EBABRO C[C@@]1(C(=O)N2CCOCC2)C[N@H+](CC2(O)CCOCC2)CCO1 ZINC000257297571 379199509 /nfs/dbraw/zinc/19/95/09/379199509.db2.gz RHWDGSXFPJDMNZ-HNNXBMFYSA-N 1 0 328.409 -0.522 40 0 EBABRO [NH3+][C@H](CCCC[n+]1ccn(CCCC[C@H]([NH3+])C(=O)[O-])c1)C(=O)[O-] ZINC000059067643 379728609 /nfs/dbraw/zinc/72/86/09/379728609.db2.gz MOISNZWLLXDVFT-BETUJISGSA-O 1 0 327.405 -0.060 40 0 EBABRO COCCN1C(=O)CO[C@H]2C[N@H+](C3CCN(C(C)=O)CC3)C[C@H]21 ZINC000067897306 285005195 /nfs/dbraw/zinc/00/51/95/285005195.db2.gz DHVABNPKVDSDCW-CABCVRRESA-N 1 0 325.409 -0.445 40 0 biogenic,in-vitro EBABRO C[NH+]1CCC(N2C[C@H]3NS(=O)(=O)c4cccnc4O[C@H]3C2)CC1 ZINC000514289393 419059017 /nfs/dbraw/zinc/05/90/17/419059017.db2.gz JVFYXIPLUBGIKY-OLZOCXBDSA-N 1 0 338.433 -0.101 40 0 biogenic,in-vitro EBABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O ZINC000514288885 419059745 /nfs/dbraw/zinc/05/97/45/419059745.db2.gz JDFNXAOJMVQLGW-FXUDXRNXSA-N 1 0 342.436 -0.232 40 0 biogenic,in-vitro EBABRO CC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257325186 419302181 /nfs/dbraw/zinc/30/21/81/419302181.db2.gz WRWHWTZLMZHNAU-NCOADZHNSA-N 1 0 335.404 -0.076 40 0 EBABRO CCC(CC)[C@@H](NC(C)=O)[C@H]1[C@H](NC(N)=[NH2+])C[C@H](C(=O)OC)[C@H]1O ZINC000072191290 282239877 /nfs/dbraw/zinc/23/98/77/282239877.db2.gz UCEWLPUPWASTTL-RYMFRWLXSA-N 1 0 342.440 -0.051 40 0 EBABRO [NH3+]CCCCC(=O)N1C[C@H](O)[C@@H](n2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC000257203508 244125840 /nfs/dbraw/zinc/12/58/40/244125840.db2.gz AQJOVPIHJNMVBJ-KBPBESRZSA-N 1 0 346.387 -0.025 40 0 EBABRO Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)[nH+]1 ZINC000257203247 244126305 /nfs/dbraw/zinc/12/63/05/244126305.db2.gz APFADGCQMYFKCJ-AWEZNQCLSA-N 1 0 342.421 -0.077 40 0 EBABRO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1 ZINC000257212507 244158115 /nfs/dbraw/zinc/15/81/15/244158115.db2.gz CDSQFOATSFZEOR-KRWDZBQOSA-N 1 0 349.435 -0.069 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H](C(N)=O)C1 ZINC000257235807 244230018 /nfs/dbraw/zinc/23/00/18/244230018.db2.gz GZOVLYLOQMJQHI-CYBMUJFWSA-N 1 0 328.376 -0.244 40 0 EBABRO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104509 376361078 /nfs/dbraw/zinc/36/10/78/376361078.db2.gz PIEWCQYAIMGFCX-ZIAGYGMSSA-N 1 0 349.435 -0.107 40 0 EBABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCO[C@](C)(C(N)=O)C2)CC1 ZINC000585284060 376521709 /nfs/dbraw/zinc/52/17/09/376521709.db2.gz RBFXYACAQBODBB-AWEZNQCLSA-N 1 0 329.397 -0.454 40 0 EBABRO CCS(=O)(=O)N1CCC(C[N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585290512 376524706 /nfs/dbraw/zinc/52/47/06/376524706.db2.gz DYCRMDFGNPIPAD-MCIONIFRSA-N 1 0 336.454 -0.900 40 0 EBABRO Cn1nnc2c1CCN(S(C)(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC000096068742 376489286 /nfs/dbraw/zinc/48/92/86/376489286.db2.gz ZKCPODACAFVJMB-CYBMUJFWSA-N 1 0 343.453 -0.214 40 0 EBABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298004 379756342 /nfs/dbraw/zinc/75/63/42/379756342.db2.gz YNQJWRDDBUDAQZ-CFVMTHIKSA-N 1 0 337.424 -0.714 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@H]1CN(C(=O)CCn2nnc3ccccc32)CC[N@H+](C)C1 ZINC000257319393 419302290 /nfs/dbraw/zinc/30/22/90/419302290.db2.gz VSFVCJRBDWZPNR-CYBMUJFWSA-N 1 0 344.419 -0.042 40 0 EBABRO CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224323971 419861163 /nfs/dbraw/zinc/86/11/63/419861163.db2.gz VUJFNGNPACONOA-UHFFFAOYSA-N 1 0 327.410 -0.605 40 0 EBABRO COCc1cn(C[C@H]2C[C@@H]([NH2+]Cc3nccn3C)[C@H](O)[C@@H]2O)nn1 ZINC000225501915 420931459 /nfs/dbraw/zinc/93/14/59/420931459.db2.gz ZWTSJFGLSVKMKX-LTZCYQRMSA-N 1 0 336.396 -0.942 40 0 biogenic,in-vitro EBABRO CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H]([NH3+])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000020310482 278219885 /nfs/dbraw/zinc/21/98/85/278219885.db2.gz ZRAWPYYLRZSVEU-ITGHMWBKSA-N 1 0 347.320 -0.972 40 0 EBABRO NC(=O)c1cnc(C[C@@H]2COCCN(C(=O)C3CC[NH2+]CC3)C2)cn1 ZINC000072388262 216188391 /nfs/dbraw/zinc/18/83/91/216188391.db2.gz MNIOAZFGCCTBRM-LBPRGKRZSA-N 1 0 347.419 -0.407 40 0 EBABRO Nc1ncnc2c1ncn2[C@@H]1CCCC[C@H](NC(=O)CC[NH3+])[C@H]1O ZINC000257210078 244147731 /nfs/dbraw/zinc/14/77/31/244147731.db2.gz BTBCNOHTQZKWFY-OPQQBVKSSA-N 1 0 333.396 -0.282 40 0 EBABRO COCCC(=O)N1CC[C@@](O)(C[NH+]2CCC(NC(C)=O)CC2)C1 ZINC000257211935 244154433 /nfs/dbraw/zinc/15/44/33/244154433.db2.gz CBDQBQXRJQPVHA-MRXNPFEDSA-N 1 0 327.425 -0.413 40 0 EBABRO C[C@@]1(O)CN(C(=O)C[NH+]2CCCC2)CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257227418 244205160 /nfs/dbraw/zinc/20/51/60/244205160.db2.gz FPEAPNULDHMVMM-MLGOLLRUSA-N 1 0 336.392 -0.431 40 0 EBABRO Cn1ccnc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257248354 244263161 /nfs/dbraw/zinc/26/31/61/244263161.db2.gz JDHIIHAWUPQRDJ-LBPRGKRZSA-N 1 0 335.408 -0.542 40 0 EBABRO COC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818067 212072235 /nfs/dbraw/zinc/07/22/35/212072235.db2.gz VHXYZMHZVBSCRQ-KGLIPLIRSA-N 1 0 344.371 -0.223 40 0 EBABRO COCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@H]1O ZINC000585290383 376524171 /nfs/dbraw/zinc/52/41/71/376524171.db2.gz QTASOSWNKZBSAX-CABCVRRESA-N 1 0 344.433 -0.591 40 0 EBABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCO)[C@@H](O)C1 ZINC000585286994 376521915 /nfs/dbraw/zinc/52/19/15/376521915.db2.gz YRAPZVPKPDJBPO-HOCLYGCPSA-N 1 0 342.823 -0.211 40 0 EBABRO CCOCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H](C(=O)NC)C1 ZINC000257291267 379194768 /nfs/dbraw/zinc/19/47/68/379194768.db2.gz QGHTVLQFGSEVGM-CYBMUJFWSA-N 1 0 327.425 -0.292 40 0 EBABRO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)[C@@H]2SC(S(N)(=O)=O)=C[C@H]21 ZINC000040456545 285623178 /nfs/dbraw/zinc/62/31/78/285623178.db2.gz GKNQVLUQWYYZMY-GHCJXIJMSA-N 1 0 326.465 -0.010 40 0 EBABRO CN(C)C(=O)CN1CCN(C)C(=O)[C@]12CC[N@@H+](C1CCOCC1)C2 ZINC000096076916 419043047 /nfs/dbraw/zinc/04/30/47/419043047.db2.gz ROPONMZOBMNUCR-QGZVFWFLSA-N 1 0 338.452 -0.528 40 0 EBABRO O=C(CCO)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288551 419058753 /nfs/dbraw/zinc/05/87/53/419058753.db2.gz CJOBHSMOLCBTPB-IAGOWNOFSA-N 1 0 345.443 -0.099 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@@H]1CN(C(=O)CCn2nnc3ccccc32)CC[N@H+](C)C1 ZINC000257319394 419302737 /nfs/dbraw/zinc/30/27/37/419302737.db2.gz VSFVCJRBDWZPNR-ZDUSSCGKSA-N 1 0 344.419 -0.042 40 0 EBABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cnco3)C2)CC1 ZINC000257328732 419303719 /nfs/dbraw/zinc/30/37/19/419303719.db2.gz XGWJAWWZVDUVEJ-INIZCTEOSA-N 1 0 336.392 -0.148 40 0 EBABRO CC(C)CCn1c2c(nc1N1CC[NH2+]CC1)n(C)c(=O)n(C)c2=O ZINC000062720580 420883905 /nfs/dbraw/zinc/88/39/05/420883905.db2.gz GAQPAVRXZZNVFX-UHFFFAOYSA-N 1 0 334.424 -0.111 40 0 EBABRO CNC(=O)[C@H]1CN(C(=O)c2cncnc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257290780 277253214 /nfs/dbraw/zinc/25/32/14/277253214.db2.gz QEHMPZOKWYZWTD-CQSZACIVSA-N 1 0 347.419 -0.224 40 0 EBABRO CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](C2CCOCC2)C1 ZINC000257210901 289026449 /nfs/dbraw/zinc/02/64/49/289026449.db2.gz BWPWYOQUHIECRR-LBPRGKRZSA-N 1 0 333.454 -0.553 40 0 EBABRO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cc1 ZINC000257265570 535995651 /nfs/dbraw/zinc/99/56/51/535995651.db2.gz LZFQMOKNRMBAAM-ZIAGYGMSSA-N 1 0 341.433 -0.517 40 0 EBABRO CC(=O)N1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cccn3)[C@H]2O)CC1 ZINC000952844702 803808919 /nfs/dbraw/zinc/80/89/19/803808919.db2.gz GMKQGAJGLFGHNA-DGXTUMSLSA-N 1 0 336.392 -0.491 40 0 biogenic,in-vitro EBABRO [NH3+]CCC(=O)N1CCOCCOCCOCCOCCOCC1 ZINC000039988481 376194293 /nfs/dbraw/zinc/19/42/93/376194293.db2.gz LVXJQTVKBFHSHG-UHFFFAOYSA-N 1 0 334.413 -0.740 40 0 EBABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNC(=O)NC(C)C)O[C@@H](CO)[C@H]1O ZINC000020465308 212134558 /nfs/dbraw/zinc/13/45/58/212134558.db2.gz JLEBGYALDKRHPW-NIFZNCRKSA-N 1 0 345.440 -0.706 40 0 biogenic,in-vitro EBABRO C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1 ZINC000020465666 212134437 /nfs/dbraw/zinc/13/44/37/212134437.db2.gz KHQPUZYLVRKGBO-YQFWSFKMSA-N 1 0 336.436 -0.746 40 0 biogenic,in-vitro EBABRO NC(=O)[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[N@@H+](C2CCOCC2)C1 ZINC000257208553 244142389 /nfs/dbraw/zinc/14/23/89/244142389.db2.gz BMQHQUVLZMWHGO-CYBMUJFWSA-N 1 0 348.403 -0.175 40 0 EBABRO NC(=O)[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257238864 244237539 /nfs/dbraw/zinc/23/75/39/244237539.db2.gz HMVXDSKDPPUVGT-GFCCVEGCSA-N 1 0 348.403 -0.175 40 0 EBABRO C[N@@H+]1CCN(C(=O)CCn2nnc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257239590 244239286 /nfs/dbraw/zinc/23/92/86/244239286.db2.gz HPZYWUVFFZQKSA-LBPRGKRZSA-N 1 0 330.392 -0.303 40 0 EBABRO Cn1ccnc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257248353 244263062 /nfs/dbraw/zinc/26/30/62/244263062.db2.gz JDHIIHAWUPQRDJ-GFCCVEGCSA-N 1 0 335.408 -0.542 40 0 EBABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298002 376373844 /nfs/dbraw/zinc/37/38/44/376373844.db2.gz YNQJWRDDBUDAQZ-YUELXQCFSA-N 1 0 337.424 -0.714 40 0 biogenic,in-vitro EBABRO C[NH+](C)CCOc1ccc(C(=O)NC[C@@H]2COC[C@@H](O)[C@H]2O)cc1 ZINC000585285020 376522215 /nfs/dbraw/zinc/52/22/15/376522215.db2.gz LIWWDKXAENLUAN-BMFZPTHFSA-N 1 0 338.404 -0.275 40 0 EBABRO CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[NH2+]C[C@@H](CO)O2)c(=O)[nH]1 ZINC000137233931 377015008 /nfs/dbraw/zinc/01/50/08/377015008.db2.gz FFZQMPPIBVPMCZ-DTWKUNHWSA-N 1 0 336.352 -0.807 40 0 EBABRO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000017066624 377525615 /nfs/dbraw/zinc/52/56/15/377525615.db2.gz IVPKRLSIMFTXJY-ZDUSSCGKSA-N 1 0 325.409 -0.015 40 0 EBABRO C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000090662319 296263757 /nfs/dbraw/zinc/26/37/57/296263757.db2.gz QVCMHGGNRFRMAD-BRVNSFEWSA-N 1 0 325.361 -0.393 40 0 endogenous,in-man EBABRO CC[C@H](CO)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000028218625 379562710 /nfs/dbraw/zinc/56/27/10/379562710.db2.gz IDUUEMBENYQJIV-GFCCVEGCSA-N 1 0 338.412 -0.272 40 0 EBABRO CC(=O)N1CCOC[C@]2(CC[C@H](C[NH2+]Cc3cnc(N)nc3)O2)C1 ZINC000306132707 380771841 /nfs/dbraw/zinc/77/18/41/380771841.db2.gz LPRHPIXQZCMEFL-ZBFHGGJFSA-N 1 0 335.408 -0.055 40 0 EBABRO Cc1cc(=O)[nH]c(=O)n1[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@H]1O ZINC000257232816 291970495 /nfs/dbraw/zinc/97/04/95/291970495.db2.gz GMOFLNZCJPBUOC-ZIAGYGMSSA-N 1 0 344.371 -0.226 40 0 EBABRO CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H](NCc3ccccn3)[C@H]2O)CC1 ZINC000514288657 419059424 /nfs/dbraw/zinc/05/94/24/419059424.db2.gz JWSSUCKWGPDQHQ-OKZBNKHCSA-N 1 0 348.447 -0.146 40 0 biogenic,in-vitro EBABRO CC1(C(=O)N2CC[C@]3(Cc4c(nc(N)nc4N)O3)C2)CC[NH2+]CC1 ZINC000257236970 276097453 /nfs/dbraw/zinc/09/74/53/276097453.db2.gz HEQGIXYLBXKSEQ-INIZCTEOSA-N 1 0 332.408 -0.063 40 0 EBABRO C[N@@H+]1CCc2nc3n(c(=O)c2C1)CCN(S(=O)(=O)C1CC1)CC3 ZINC000306129863 290254729 /nfs/dbraw/zinc/25/47/29/290254729.db2.gz IOZVGPIUMZXGPQ-UHFFFAOYSA-N 1 0 338.433 -0.419 40 0 EBABRO CNC(=O)[C@H]1CN(C(=O)Cn2cccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257253158 536396834 /nfs/dbraw/zinc/39/68/34/536396834.db2.gz JXUHYBVDDKRQSQ-CQSZACIVSA-N 1 0 349.435 -0.432 40 0 EBABRO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)CCC(N)=O)CC2)CC1 ZINC000257300982 536415098 /nfs/dbraw/zinc/41/50/98/536415098.db2.gz RWLHBMPVEKVHKD-MRXNPFEDSA-N 1 0 326.441 -0.757 40 0 EBABRO C[C@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000052969724 214157112 /nfs/dbraw/zinc/15/71/12/214157112.db2.gz QVCMHGGNRFRMAD-CUFCCSJMSA-N 1 0 325.361 -0.393 40 0 in-man EBABRO [NH3+][C@@H](CCCCn1cc[n+](CCCC[C@H]([NH3+])C(=O)[O-])c1)C(=O)[O-] ZINC000059067640 214614057 /nfs/dbraw/zinc/61/40/57/214614057.db2.gz MOISNZWLLXDVFT-STQMWFEESA-O 1 0 327.405 -0.060 40 0 in-vitro EBABRO Cn1cccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(C)CC2)[C@H]1O ZINC000020463868 212134532 /nfs/dbraw/zinc/13/45/32/212134532.db2.gz UVNLNOCNJYUFFM-OVYGPGRDSA-N 1 0 336.436 -0.785 40 0 biogenic,in-vitro EBABRO CCCS(=O)(=O)N1CC[C@](O)(C[NH+]2CCC(NC(C)=O)CC2)C1 ZINC000257216714 244172172 /nfs/dbraw/zinc/17/21/72/244172172.db2.gz CVUBEEZMMFGTIG-HNNXBMFYSA-N 1 0 347.481 -0.237 40 0 EBABRO C[C@]12C[C@H]3CN(C(=O)Cn4cc(CO)nn4)C[C@H](CC[C@@H]1[NH2+]3)[C@H]2O ZINC000257215143 244162867 /nfs/dbraw/zinc/16/28/67/244162867.db2.gz COWVGUYVBUPFQU-LTDJIEQWSA-N 1 0 335.408 -0.880 40 0 EBABRO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H](C(N)=O)C1 ZINC000257229498 244207265 /nfs/dbraw/zinc/20/72/65/244207265.db2.gz FYILNHFHCDLZTH-CYBMUJFWSA-N 1 0 328.376 -0.244 40 0 EBABRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257249759 244266166 /nfs/dbraw/zinc/26/61/66/244266166.db2.gz JJQMCEXRPUYOJH-INIZCTEOSA-N 1 0 338.408 -0.622 40 0 EBABRO CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H]([NH3+])[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000025628463 376349960 /nfs/dbraw/zinc/34/99/60/376349960.db2.gz ZRAWPYYLRZSVEU-HTVCTNPSSA-N 1 0 347.320 -0.972 40 0 EBABRO C[NH+](C)CC(=O)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1 ZINC000096218867 376496629 /nfs/dbraw/zinc/49/66/29/376496629.db2.gz JOYWFZMXWDFPNB-CYBMUJFWSA-N 1 0 335.408 -0.225 40 0 EBABRO CO[C@H]1C[N@@H+](C2CCN(S(C)(=O)=O)CC2)C[C@@H]1CC(=O)N(C)C ZINC000585277126 376516933 /nfs/dbraw/zinc/51/69/33/376516933.db2.gz FYEFOMYWTOJMIN-JSGCOSHPSA-N 1 0 347.481 -0.165 40 0 EBABRO CO[C@@]1(CC(N)=O)COCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000585281530 376518390 /nfs/dbraw/zinc/51/83/90/376518390.db2.gz YUMQQEDCKLQBLO-MRXNPFEDSA-N 1 0 327.425 -0.162 40 0 EBABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccnnc1)C2 ZINC000096068819 376490002 /nfs/dbraw/zinc/49/00/02/376490002.db2.gz BBSPBFOFKZQRSH-CYBMUJFWSA-N 1 0 345.407 -0.077 40 0 EBABRO CS(=O)(=O)NCc1cc(=O)n2c(n1)C[N@@H+](CC1CC1)CCC2 ZINC000096197618 376491859 /nfs/dbraw/zinc/49/18/59/376491859.db2.gz XKZLYHKKNXIZSG-UHFFFAOYSA-N 1 0 326.422 -0.092 40 0 EBABRO C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000253634967 296263799 /nfs/dbraw/zinc/26/37/99/296263799.db2.gz QVCMHGGNRFRMAD-DXUMZHCMSA-N 1 0 325.361 -0.393 40 0 endogenous,in-man EBABRO C[C@@]1(C(=O)NCC[NH+]2CCCCC2)CN(S(C)(=O)=O)CCO1 ZINC000257312409 379201517 /nfs/dbraw/zinc/20/15/17/379201517.db2.gz UNVHVLILZKGWFY-AWEZNQCLSA-N 1 0 333.454 -0.361 40 0 EBABRO CNC(=O)[C@H]1CN(C(=O)c2ccn(C)n2)CC[N@@H+](C2CCOCC2)C1 ZINC000257282499 379194798 /nfs/dbraw/zinc/19/47/98/379194798.db2.gz OTYUTFYUOUQHNM-CYBMUJFWSA-N 1 0 349.435 -0.281 40 0 EBABRO COCC(=O)N1CCC[C@](O)(C[NH+]2CCC(NC(C)=O)CC2)CC1 ZINC000257305980 284780677 /nfs/dbraw/zinc/78/06/77/284780677.db2.gz SSIPAYYNLLWYKP-QGZVFWFLSA-N 1 0 341.452 -0.023 40 0 EBABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O)N1CCOCC1 ZINC000077265039 381192663 /nfs/dbraw/zinc/19/26/63/381192663.db2.gz YZDREGYXUBGSIB-KFWWJZLASA-N 1 0 336.392 -0.659 40 0 biogenic,in-vitro EBABRO C[NH+](C)CCNC(=O)c1noc2c1CN(S(=O)(=O)C1CC1)CC2 ZINC000096254351 218723983 /nfs/dbraw/zinc/72/39/83/218723983.db2.gz SLBRXYDWKZPJTI-UHFFFAOYSA-N 1 0 342.421 -0.184 40 0 EBABRO CC(C)N1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1=O ZINC000333352113 381911296 /nfs/dbraw/zinc/91/12/96/381911296.db2.gz RNUGYPUMMLMCDM-UHFFFAOYSA-N 1 0 347.423 -0.029 40 0 EBABRO CCn1nnc2c1[C@@H](COCC[NH+](C)C)CN(S(C)(=O)=O)C2 ZINC000096045536 419043814 /nfs/dbraw/zinc/04/38/14/419043814.db2.gz OBAOULAAUMVNLR-LLVKDONJSA-N 1 0 331.442 -0.265 40 0 EBABRO COCCNC(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000514289013 419059313 /nfs/dbraw/zinc/05/93/13/419059313.db2.gz NVMSZHRFOANMEF-SDDRHHMPSA-N 1 0 337.367 -0.209 40 0 biogenic,in-vitro EBABRO CN1CCC([N@@H+]2CC[C@@](O)(CNC(=O)c3cnccn3)[C@H](O)C2)CC1 ZINC000257329930 419303539 /nfs/dbraw/zinc/30/35/39/419303539.db2.gz XMBKUIKYQQCFHP-NVXWUHKLSA-N 1 0 349.435 -0.902 40 0 EBABRO CC(C)[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O ZINC000225514260 420935095 /nfs/dbraw/zinc/93/50/95/420935095.db2.gz HXDIXAGYTHXFBO-HGYYMRRCSA-N 1 0 328.409 -0.481 40 0 biogenic,in-vitro EBABRO COCCC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257276248 277487650 /nfs/dbraw/zinc/48/76/50/277487650.db2.gz NSZFCWILZWMEPS-BFYDXBDKSA-N 1 0 341.452 -0.025 40 0 EBABRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCN2C(=O)CCNC2=O)CC1 ZINC000257210514 535973274 /nfs/dbraw/zinc/97/32/74/535973274.db2.gz BUYYUTWJQXGEEN-INIZCTEOSA-N 1 0 340.424 -0.376 40 0 EBABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1cnccn1)C2 ZINC000096045453 282108717 /nfs/dbraw/zinc/10/87/17/282108717.db2.gz LLTUJLWUHYITDK-LBPRGKRZSA-N 1 0 345.407 -0.077 40 0 EBABRO C[NH+](C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CS(C)(=O)=O ZINC000096065762 282109150 /nfs/dbraw/zinc/10/91/50/282109150.db2.gz MPIPCCAEPJYGRD-OUCADQQQSA-N 1 0 334.438 -0.632 40 0 EBABRO CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CC[N@@H+](C2CCOCC2)C1 ZINC000257202633 244123089 /nfs/dbraw/zinc/12/30/89/244123089.db2.gz AMRSGRDURHRATC-AWEZNQCLSA-N 1 0 349.435 -0.281 40 0 EBABRO NC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[N@@H+](C2CCOCC2)C1 ZINC000257208554 244143680 /nfs/dbraw/zinc/14/36/80/244143680.db2.gz BMQHQUVLZMWHGO-ZDUSSCGKSA-N 1 0 348.403 -0.175 40 0 EBABRO Cc1nn(C)cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257251772 244271566 /nfs/dbraw/zinc/27/15/66/244271566.db2.gz JSDDOMAXUGYIRF-CYBMUJFWSA-N 1 0 349.435 -0.233 40 0 EBABRO NC(=O)CNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000019292217 212011635 /nfs/dbraw/zinc/01/16/35/212011635.db2.gz FHJLMDWDMVVKOK-ZBEGNZNMSA-N 1 0 336.392 -0.308 40 0 EBABRO CO[C@@H]1COC[C@@H](N(C)C(=O)C2CCN(CC[NH+](C)C)CC2)[C@@H]1O ZINC000585287046 376521567 /nfs/dbraw/zinc/52/15/67/376521567.db2.gz RIXKBMUYANLRNU-OAGGEKHMSA-N 1 0 343.468 -0.507 40 0 EBABRO Cn1nnc2c1CCN(S(C)(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC000096068741 376489532 /nfs/dbraw/zinc/48/95/32/376489532.db2.gz ZKCPODACAFVJMB-ZDUSSCGKSA-N 1 0 343.453 -0.214 40 0 EBABRO CS(=O)(=O)NCc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096197030 376492654 /nfs/dbraw/zinc/49/26/54/376492654.db2.gz NVEURNZTUDPEQK-GFCCVEGCSA-N 1 0 328.438 -0.173 40 0 EBABRO Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@H]2CC(=O)N3CC[NH+](C)C)c1 ZINC000096183814 376493366 /nfs/dbraw/zinc/49/33/66/376493366.db2.gz JJYRUGCBIODVNE-NWDGAFQWSA-N 1 0 341.437 -0.654 40 0 EBABRO C[N@H+](CCO)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585292000 376527850 /nfs/dbraw/zinc/52/78/50/376527850.db2.gz WMJKKHROYCTUBE-ZBFHGGJFSA-N 1 0 342.823 -0.259 40 0 EBABRO C[C@@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000059817005 296263822 /nfs/dbraw/zinc/26/38/22/296263822.db2.gz QVCMHGGNRFRMAD-SPGXYJMSSA-N 1 0 325.361 -0.393 40 0 in-man EBABRO CC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@@H]1O ZINC000077263819 381191032 /nfs/dbraw/zinc/19/10/32/381191032.db2.gz ASUWAAYZRYVKPD-KFWWJZLASA-N 1 0 342.417 -0.556 40 0 biogenic,in-vitro EBABRO CCCS(=O)(=O)N[C@H]1CO[C@@H](C[N@@H+]2CCC[C@@H]2COC)[C@@H]1O ZINC000514289107 419059204 /nfs/dbraw/zinc/05/92/04/419059204.db2.gz SZFXXKIJCOCPFM-ZOBORPQBSA-N 1 0 336.454 -0.445 40 0 biogenic,in-vitro EBABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H]3O2)cc1 ZINC000225512615 420934405 /nfs/dbraw/zinc/93/44/05/420934405.db2.gz OKPWWUTWLBLNML-SZVRAQGESA-N 1 0 336.388 -0.054 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc2nc(C)cc(C)n2n1 ZINC000257343407 277245497 /nfs/dbraw/zinc/24/54/97/277245497.db2.gz ZSWOFDKPUVKYBF-YPMHNXCESA-N 1 0 330.392 -0.248 40 0 EBABRO CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H]([NH3+])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000019861794 278219654 /nfs/dbraw/zinc/21/96/54/278219654.db2.gz ZRAWPYYLRZSVEU-QNSTZXKLSA-N 1 0 347.320 -0.972 40 0 EBABRO CNC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)C(C)(C)N(C(=O)COC)C2 ZINC000257269760 290424878 /nfs/dbraw/zinc/42/48/78/290424878.db2.gz MRGYCCIHQGWONM-CYBMUJFWSA-N 1 0 341.452 -0.167 40 0 EBABRO CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC000257329228 290617589 /nfs/dbraw/zinc/61/75/89/290617589.db2.gz XJAFOPVBYCIYFY-HNNXBMFYSA-N 1 0 338.452 -0.085 40 0 EBABRO NC(=[NH2+])Nc1nc(CSCC=C(N)NS(N)(=O)=O)cs1 ZINC000100343824 219096877 /nfs/dbraw/zinc/09/68/77/219096877.db2.gz NOBYHXGPWRXUGM-LZCJLJQNSA-N 1 0 337.456 -0.725 40 0 EBABRO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ncc[nH]2)[N@@H+]1C ZINC000022922500 212334324 /nfs/dbraw/zinc/33/43/24/212334324.db2.gz MULIAZPZYCEFIP-ZOWXZIJZSA-N 1 0 335.408 -0.264 40 0 biogenic,in-vitro EBABRO CN(CC[NH+](C)C)[C@H]1[C@@H](CNC(=O)C2CCCC2)O[C@@H](CO)[C@H]1O ZINC000020464920 212134520 /nfs/dbraw/zinc/13/45/20/212134520.db2.gz IAMLSXWCKDCAST-FXUDXRNXSA-N 1 0 343.468 -0.725 40 0 biogenic,in-vitro EBABRO COCCC(=O)N1CC[C@](O)(C[NH+]2CCC(NC(C)=O)CC2)C1 ZINC000257211934 244153971 /nfs/dbraw/zinc/15/39/71/244153971.db2.gz CBDQBQXRJQPVHA-INIZCTEOSA-N 1 0 327.425 -0.413 40 0 EBABRO [NH3+]Cc1ccc(C(=O)N2C[C@@H](O)[C@H](n3cc(F)c(=O)[nH]c3=O)C2)cc1 ZINC000257230137 244210805 /nfs/dbraw/zinc/21/08/05/244210805.db2.gz GAZJCRQMGZSCRY-CHWSQXEVSA-N 1 0 348.334 -0.395 40 0 EBABRO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@@H+]2CC(=O)N2CCOCC2)C1 ZINC000257254821 244278115 /nfs/dbraw/zinc/27/81/15/244278115.db2.gz KEVATHAYKAEUNW-YQQAZPJKSA-N 1 0 339.436 -0.461 40 0 EBABRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000019848534 212076565 /nfs/dbraw/zinc/07/65/65/212076565.db2.gz MGHBSJSZRVZEFB-UHFFFAOYSA-N 1 0 334.376 -0.947 40 0 EBABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019576028 376004530 /nfs/dbraw/zinc/00/45/30/376004530.db2.gz QRASVOAJWGNSAA-NUEKZKHPSA-N 1 0 333.436 -0.048 40 0 EBABRO CS(=O)(=O)NCc1cnc2n1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096197029 376493326 /nfs/dbraw/zinc/49/33/26/376493326.db2.gz NVEURNZTUDPEQK-LBPRGKRZSA-N 1 0 328.438 -0.173 40 0 EBABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)Cc3ccccc3)[C@H]2O)CC1 ZINC000514289405 419060007 /nfs/dbraw/zinc/06/00/07/419060007.db2.gz SEQJYCFZSRWYMY-XYJFISCASA-N 1 0 333.432 -0.279 40 0 biogenic,in-vitro EBABRO COCCN1C(=O)CO[C@H]2CC[N@@H+](CC(=O)N3CCCC3)CC[C@@H]21 ZINC000257310211 419302789 /nfs/dbraw/zinc/30/27/89/419302789.db2.gz UEDXAOFRSRFQRR-GJZGRUSLSA-N 1 0 339.436 -0.053 40 0 EBABRO CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCCCC2)C1 ZINC000257330002 419303456 /nfs/dbraw/zinc/30/34/56/419303456.db2.gz XMJALVPIASGODN-ZDUSSCGKSA-N 1 0 347.481 -0.379 40 0 EBABRO CCn1nnc2c1[C@H](COCC[NH+](C)C)CN(S(C)(=O)=O)C2 ZINC000096045537 288771283 /nfs/dbraw/zinc/77/12/83/288771283.db2.gz OBAOULAAUMVNLR-NSHDSACASA-N 1 0 331.442 -0.265 40 0 EBABRO C[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[C@@H](CNS(C)(=O)=O)O2 ZINC000096218999 289075690 /nfs/dbraw/zinc/07/56/90/289075690.db2.gz UHAONHWIBPAHBR-GXTWGEPZSA-N 1 0 333.454 -0.363 40 0 EBABRO CNC(=O)[C@H]1CN(C(=O)c2nccn2C)CC[N@@H+](C2CCOCC2)C1 ZINC000257243416 536397847 /nfs/dbraw/zinc/39/78/47/536397847.db2.gz IGWPTMCKIFIJIU-CYBMUJFWSA-N 1 0 349.435 -0.281 40 0 EBABRO COCc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)N2CCOCC2)nn1 ZINC000008298079 584211100 /nfs/dbraw/zinc/21/11/00/584211100.db2.gz LNBSKKFTXYRUKH-IMJJTQAJSA-N 1 0 349.435 -0.006 40 0 biogenic,in-vitro EBABRO CNC(=O)C[NH+]1CCC2(CC1)C[C@H](O)C(C)(C)N(C(=O)COC)C2 ZINC000257269761 283317683 /nfs/dbraw/zinc/31/76/83/283317683.db2.gz MRGYCCIHQGWONM-ZDUSSCGKSA-N 1 0 341.452 -0.167 40 0 EBABRO NC(=O)C1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 ZINC000257226148 244201316 /nfs/dbraw/zinc/20/13/16/244201316.db2.gz FJHZUPHYVATZOM-HZPDHXFCSA-N 1 0 347.415 -0.166 40 0 EBABRO Cc1nn(C)cc1S(=O)(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257265088 244359133 /nfs/dbraw/zinc/35/91/33/244359133.db2.gz LXHQKMNHKMACBO-CQSZACIVSA-N 1 0 328.438 -0.050 40 0 EBABRO NC(=O)CNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000019292215 212011159 /nfs/dbraw/zinc/01/11/59/212011159.db2.gz FHJLMDWDMVVKOK-BZNIZROVSA-N 1 0 336.392 -0.308 40 0 EBABRO NC(=O)CNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000019292214 212011092 /nfs/dbraw/zinc/01/10/92/212011092.db2.gz FHJLMDWDMVVKOK-BDJLRTHQSA-N 1 0 336.392 -0.308 40 0 EBABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099492 376360919 /nfs/dbraw/zinc/36/09/19/376360919.db2.gz OCUWLXJUNWLRAI-KRWDZBQOSA-N 1 0 332.404 -0.098 40 0 EBABRO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104507 376361291 /nfs/dbraw/zinc/36/12/91/376361291.db2.gz PIEWCQYAIMGFCX-UONOGXRCSA-N 1 0 349.435 -0.107 40 0 EBABRO Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104506 376361531 /nfs/dbraw/zinc/36/15/31/376361531.db2.gz PIEWCQYAIMGFCX-KGLIPLIRSA-N 1 0 349.435 -0.107 40 0 EBABRO COCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291034 376524441 /nfs/dbraw/zinc/52/44/41/376524441.db2.gz HYQWTSNHOLDGEU-KGLIPLIRSA-N 1 0 330.406 -0.981 40 0 EBABRO CNC(=O)C[C@]1(O)COCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000585280223 376518179 /nfs/dbraw/zinc/51/81/79/376518179.db2.gz CXAYWIJSTKCHTR-MRXNPFEDSA-N 1 0 327.425 -0.556 40 0 EBABRO O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCCO)C1 ZINC000585285602 376522603 /nfs/dbraw/zinc/52/26/03/376522603.db2.gz LHZZHEKKZQIVPH-AEFFLSMTSA-N 1 0 336.432 -0.085 40 0 EBABRO Cn1cc(CN2Cc3ccnn3C[C@H](C(=O)NCC[NH+](C)C)C2)cn1 ZINC000096188832 376491731 /nfs/dbraw/zinc/49/17/31/376491731.db2.gz BJLIVAVRCWKFID-OAHLLOKOSA-N 1 0 345.451 -0.074 40 0 EBABRO Cn1cc(CN2Cc3ccnn3C[C@@H](C(=O)NCC[NH+](C)C)C2)cn1 ZINC000096188833 376493267 /nfs/dbraw/zinc/49/32/67/376493267.db2.gz BJLIVAVRCWKFID-HNNXBMFYSA-N 1 0 345.451 -0.074 40 0 EBABRO COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH3+])[C@@H]2O)CC1 ZINC000012483907 211392064 /nfs/dbraw/zinc/39/20/64/211392064.db2.gz VTVLARKVJSPAHU-OVYGPGRDSA-N 1 0 335.404 -0.371 40 0 biogenic,in-vitro EBABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccn(C)n3)C2)CC1 ZINC000257312422 379201539 /nfs/dbraw/zinc/20/15/39/379201539.db2.gz UNWQWEOVDAVBBY-KRWDZBQOSA-N 1 0 349.435 -0.402 40 0 EBABRO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](C3CCN(C)CC3)C[C@H]21 ZINC000067897335 379845405 /nfs/dbraw/zinc/84/54/05/379845405.db2.gz NEDPSXDAZUKQKK-CABCVRRESA-N 1 0 333.436 -0.074 40 0 biogenic,in-vitro EBABRO C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262101955 154212906 /nfs/dbraw/zinc/21/29/06/154212906.db2.gz DTWXPSBFLMBQGG-KBXIAJHMSA-N 1 0 338.452 -0.530 40 0 EBABRO CN(C)C(=O)C[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC000096063147 419042718 /nfs/dbraw/zinc/04/27/18/419042718.db2.gz OCQZVUCDSMQSHW-UHFFFAOYSA-N 1 0 333.392 -0.237 40 0 EBABRO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2CCOCC2)C1 ZINC000257254331 419302807 /nfs/dbraw/zinc/30/28/07/419302807.db2.gz KCPXBFIYQWXIEI-CQSZACIVSA-N 1 0 347.481 -0.305 40 0 EBABRO C[C@@]1(O)CC2(CC[NH2+]CC2)OC[C@H]1n1cnc2c1nc(N)nc2N ZINC000257254205 278128104 /nfs/dbraw/zinc/12/81/04/278128104.db2.gz KCEOUUNDGGQNTH-YMTOWFKASA-N 1 0 333.396 -0.175 40 0 EBABRO CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H]([NH3+])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000038275730 278219872 /nfs/dbraw/zinc/21/98/72/278219872.db2.gz ZRAWPYYLRZSVEU-KSTCHIGDSA-N 1 0 347.320 -0.972 40 0 in-vitro EBABRO CN(C(=O)CCC[NH3+])[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257238536 288797851 /nfs/dbraw/zinc/79/78/51/288797851.db2.gz HLMCJEBKQWQDPH-NRUUGDAUSA-N 1 0 333.396 -0.330 40 0 EBABRO Cn1c(=O)cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)n(C)c1=O ZINC000257327088 294139781 /nfs/dbraw/zinc/13/97/81/294139781.db2.gz WZWKNYBJSLWJFO-CQSZACIVSA-N 1 0 328.372 -0.129 40 0 EBABRO CC(=O)N1CCC([NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](n3ccnc3)[C@H]2O)CC1 ZINC000952844834 803809076 /nfs/dbraw/zinc/80/90/76/803809076.db2.gz MPRBVWNEUJDQTC-DGXTUMSLSA-N 1 0 336.392 -0.491 40 0 biogenic,in-vitro EBABRO C[C@H]1C(=O)O[C@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000054979045 214261860 /nfs/dbraw/zinc/26/18/60/214261860.db2.gz QVCMHGGNRFRMAD-PXLMAEHWSA-N 1 0 325.361 -0.393 40 0 EBABRO COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000020465934 212135007 /nfs/dbraw/zinc/13/50/07/212135007.db2.gz YUQVCMLATUYTLM-YQFWSFKMSA-N 1 0 338.404 -0.630 40 0 biogenic,in-vitro EBABRO Cc1cc(N)cc([C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)[nH+]1 ZINC000257203248 244126616 /nfs/dbraw/zinc/12/66/16/244126616.db2.gz APFADGCQMYFKCJ-CQSZACIVSA-N 1 0 342.421 -0.077 40 0 EBABRO O=C(CCn1cnnn1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257231484 244214832 /nfs/dbraw/zinc/21/48/32/244214832.db2.gz GGXORHOJURNODZ-CYBMUJFWSA-N 1 0 344.366 -0.242 40 0 EBABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(N)=O ZINC000257247152 244261519 /nfs/dbraw/zinc/26/15/19/244261519.db2.gz IXSLEBVKXHEVIW-MQYQWHSLSA-N 1 0 327.356 -0.333 40 0 EBABRO CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2CCOCC2)C1 ZINC000257254330 244278545 /nfs/dbraw/zinc/27/85/45/244278545.db2.gz KCPXBFIYQWXIEI-AWEZNQCLSA-N 1 0 347.481 -0.305 40 0 EBABRO COCC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC000096045317 376487456 /nfs/dbraw/zinc/48/74/56/376487456.db2.gz JZWMNUPNAPECLM-CQSZACIVSA-N 1 0 337.424 0.000 40 0 EBABRO C[C@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000408404358 376893478 /nfs/dbraw/zinc/89/34/78/376893478.db2.gz IFNGUMGALBRUMG-ZDUSSCGKSA-N 1 0 342.440 -0.668 40 0 EBABRO C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000000409216 296263599 /nfs/dbraw/zinc/26/35/99/296263599.db2.gz QVCMHGGNRFRMAD-FKHLYAMYSA-N 1 0 325.361 -0.393 40 0 endogenous,in-man EBABRO Cn1c2ncn([C@H]3C[N@H+](CC4CC4)CC[C@]3(C)O)c2c(=O)n(C)c1=O ZINC000257341601 379202656 /nfs/dbraw/zinc/20/26/56/379202656.db2.gz ZLAGXNKKMBSWNU-SJCJKPOMSA-N 1 0 347.419 -0.159 40 0 EBABRO O=C(NC[C@H]1OC[C@@H](NC2CC[NH2+]CC2)[C@@H]1O)c1cccs1 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CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCCC2)C1 ZINC000585282214 376521807 /nfs/dbraw/zinc/52/18/07/376521807.db2.gz BSKWRIICZQTJKU-ZDUSSCGKSA-N 1 0 347.481 -0.427 40 0 EBABRO O=S(=O)(C1CC1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1 ZINC000096054395 376487122 /nfs/dbraw/zinc/48/71/22/376487122.db2.gz YFURCWQVLQZHKX-CABCVRRESA-N 1 0 329.466 -0.041 40 0 EBABRO Cn1cnc(S(=O)(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC000096066893 376490114 /nfs/dbraw/zinc/49/01/14/376490114.db2.gz AKGZHMRSYGQJOM-GFCCVEGCSA-N 1 0 338.437 -0.001 40 0 EBABRO COC[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CCN(S(C)(=O)=O)CC2 ZINC000096208221 376494816 /nfs/dbraw/zinc/49/48/16/376494816.db2.gz QZQGJCUPSLDHQZ-ZDUSSCGKSA-N 1 0 347.481 -0.163 40 0 EBABRO CC(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)CC1 ZINC000257278846 379195412 /nfs/dbraw/zinc/19/54/12/379195412.db2.gz ODWPAABKJJIFBX-HUUCEWRRSA-N 1 0 333.392 -0.738 40 0 EBABRO CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2O)CC1 ZINC000077265213 381192555 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XLFRKWMMXIBAPK-MELADBBJSA-N 1 0 345.403 -0.711 40 0 EBABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(COC)nn1 ZINC000008298023 649931823 /nfs/dbraw/zinc/93/18/23/649931823.db2.gz CDRIADDHDXCZDT-CFVMTHIKSA-N 1 0 337.424 -0.103 40 0 biogenic,in-vitro EBABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+](C)C)cc1 ZINC000222745888 241553244 /nfs/dbraw/zinc/55/32/44/241553244.db2.gz ZLHGQMOYDKXCNG-UHFFFAOYSA-N 1 0 329.422 -0.007 40 0 EBABRO CN1CC[NH+]([C@H]2CCN(C(=O)CCn3ccnc3)CC[C@@H]2O)CC1 ZINC000257240664 244240955 /nfs/dbraw/zinc/24/09/55/244240955.db2.gz HUOFSEHTRNBABZ-HOTGVXAUSA-N 1 0 335.452 -0.128 40 0 EBABRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O ZINC000001890104 375878865 /nfs/dbraw/zinc/87/88/65/375878865.db2.gz DYTMGBXTNHPPNK-IUCAKERBSA-N 1 0 338.368 -0.408 40 0 in-vitro EBABRO CO[C@@H]1COC[C@@H](N(C)C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)[C@@H]1O ZINC000585287366 376521138 /nfs/dbraw/zinc/52/11/38/376521138.db2.gz YXBBIQQAINWAQP-ANQUJSFKSA-N 1 0 343.468 -0.364 40 0 EBABRO Cn1cc(C[N@H+]2CCc3ncc(CNS(C)(=O)=O)n3CC2)cn1 ZINC000096197018 376493594 /nfs/dbraw/zinc/49/35/94/376493594.db2.gz SVSPVSRLCBSDIA-UHFFFAOYSA-N 1 0 338.437 -0.276 40 0 EBABRO C[N@H+](CCO)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585289484 376525408 /nfs/dbraw/zinc/52/54/08/376525408.db2.gz ICHRCZWPCRPFCW-WMZOPIPTSA-N 1 0 336.432 -0.132 40 0 EBABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)CN1C(=O)CNC1=O ZINC000012366166 211356669 /nfs/dbraw/zinc/35/66/69/211356669.db2.gz DFADSDKUDLWPOA-CYBMUJFWSA-N 1 0 346.387 -0.110 40 0 EBABRO CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000257260613 379192471 /nfs/dbraw/zinc/19/24/71/379192471.db2.gz LDQATJPCZWYTNB-HNNXBMFYSA-N 1 0 338.452 -0.229 40 0 EBABRO Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257265592 379194130 /nfs/dbraw/zinc/19/41/30/379194130.db2.gz LZHZHPORWVCQQA-YRGRVCCFSA-N 1 0 328.438 -0.005 40 0 EBABRO CNC(=O)[C@@H]1CN(C(=O)c2cncnc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257290779 379195570 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40 0 EBABRO COC[C@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CCN(S(C)(=O)=O)CC2 ZINC000096208220 293190118 /nfs/dbraw/zinc/19/01/18/293190118.db2.gz QZQGJCUPSLDHQZ-CYBMUJFWSA-N 1 0 347.481 -0.163 40 0 EBABRO CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1 ZINC000257212508 244158403 /nfs/dbraw/zinc/15/84/03/244158403.db2.gz CDSQFOATSFZEOR-QGZVFWFLSA-N 1 0 349.435 -0.069 40 0 EBABRO NC(=O)[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257238865 244238019 /nfs/dbraw/zinc/23/80/19/244238019.db2.gz HMVXDSKDPPUVGT-LBPRGKRZSA-N 1 0 348.403 -0.175 40 0 EBABRO C[C@@]1(O)CCN(C(=O)CCC[NH3+])C[C@H]1n1cnc2c1ncnc2N ZINC000257285539 244421810 /nfs/dbraw/zinc/42/18/10/244421810.db2.gz PHQRRKVPJDVLSV-MEBBXXQBSA-N 1 0 333.396 -0.328 40 0 EBABRO C[NH+](C)CC(=O)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1 ZINC000096218868 376496226 /nfs/dbraw/zinc/49/62/26/376496226.db2.gz JOYWFZMXWDFPNB-ZDUSSCGKSA-N 1 0 335.408 -0.225 40 0 EBABRO CN(C)C(=O)C[NH+]1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2 ZINC000096201412 376496272 /nfs/dbraw/zinc/49/62/72/376496272.db2.gz GWDJJSZYFNAJHE-UHFFFAOYSA-N 1 0 349.435 -0.335 40 0 EBABRO C[N@H+](CC1CCN(C(=O)c2cnco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288392 376524009 /nfs/dbraw/zinc/52/40/09/376524009.db2.gz ZIDUIHHBCRRAIM-NFAWXSAZSA-N 1 0 339.392 -0.421 40 0 EBABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCO[C@@](C)(C(=O)NC)C2)CC1 ZINC000585287489 376525706 /nfs/dbraw/zinc/52/57/06/376525706.db2.gz YAWMBDXCAQQWJU-OAHLLOKOSA-N 1 0 343.424 -0.193 40 0 EBABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2CC(=O)N2CCOCC2)c1 ZINC000257228406 379192268 /nfs/dbraw/zinc/19/22/68/379192268.db2.gz FTSBPLGYEGOEKR-MRXNPFEDSA-N 1 0 346.431 -0.149 40 0 EBABRO CN(C)c1ncc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)cn1 ZINC000257261018 379194325 /nfs/dbraw/zinc/19/43/25/379194325.db2.gz LFLCATPXLPLMCV-KRWDZBQOSA-N 1 0 348.451 -0.633 40 0 EBABRO COCC(=O)NC[C@]1(O)CC[N@H+](CC2(O)CCCCC2)C[C@H]1O ZINC000257286139 379195094 /nfs/dbraw/zinc/19/50/94/379195094.db2.gz PKLLEFYTDMWANN-CZUORRHYSA-N 1 0 330.425 -0.758 40 0 EBABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cncnc3)C2)CC1 ZINC000257284325 379195843 /nfs/dbraw/zinc/19/58/43/379195843.db2.gz PCFYOTRIMRVFIA-KRWDZBQOSA-N 1 0 347.419 -0.346 40 0 EBABRO C[C@]1(C(=O)N2CCOCC2)C[N@H+](CC2(O)CCOCC2)CCO1 ZINC000257297572 379197998 /nfs/dbraw/zinc/19/79/98/379197998.db2.gz RHWDGSXFPJDMNZ-OAHLLOKOSA-N 1 0 328.409 -0.522 40 0 EBABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)N1CCOCC1 ZINC000077265465 381191713 /nfs/dbraw/zinc/19/17/13/381191713.db2.gz JAOIWOGAFLCFMC-KFWWJZLASA-N 1 0 336.392 -0.659 40 0 biogenic,in-vitro EBABRO [NH3+]CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000575421550 382107717 /nfs/dbraw/zinc/10/77/17/382107717.db2.gz JABXMQDHNCSKBL-NSHDSACASA-N 1 0 336.410 -0.038 40 0 EBABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)[C@H]1CCCO1)C2 ZINC000096045465 419043314 /nfs/dbraw/zinc/04/33/14/419043314.db2.gz TZJZWEWFWJMCBN-GXTWGEPZSA-N 1 0 337.424 -0.002 40 0 EBABRO O=C(N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1 ZINC000514288875 419058340 /nfs/dbraw/zinc/05/83/40/419058340.db2.gz ISNDIUJPFDYRAV-RWMBFGLXSA-N 1 0 349.378 -0.112 40 0 biogenic,in-vitro EBABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N(CCO)CCO)[C@@H]2[NH+](CCO)CCO ZINC000022029206 212272884 /nfs/dbraw/zinc/27/28/84/212272884.db2.gz GMSYVWLXCRWKNV-KONPQCLYSA-N 1 0 344.496 -0.247 40 0 EBABRO C[C@]12C[C@H]3CN(S(=O)(=O)c4cn[nH]c4)C[C@H](CC[C@@H]1[NH2+]3)[C@H]2O ZINC000257344296 291447239 /nfs/dbraw/zinc/44/72/39/291447239.db2.gz ZWMWHENZRFBEFZ-KYYPQDQFSA-N 1 0 326.422 -0.078 40 0 EBABRO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257249760 244266425 /nfs/dbraw/zinc/26/64/25/244266425.db2.gz JJQMCEXRPUYOJH-MRXNPFEDSA-N 1 0 338.408 -0.622 40 0 EBABRO CS(=O)(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O ZINC000077264504 216859173 /nfs/dbraw/zinc/85/91/73/216859173.db2.gz ZNSFTEJCIXUHKC-MXWKQRLJSA-N 1 0 328.381 -0.169 40 0 biogenic,in-vitro EBABRO CO[C@]1(CC(N)=O)COCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000585281529 376517949 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CS(=O)(=O)C1C(=O)C(=O)N(CC[NH2+]CCO)[C@@H]1c1ccco1 ZINC000035323660 213021587 /nfs/dbraw/zinc/02/15/87/213021587.db2.gz VVZAUDAVMGAAMZ-SNVBAGLBSA-N 1 0 330.362 -0.441 40 0 EBABRO Cc1cnn(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)c1 ZINC000257201043 244121270 /nfs/dbraw/zinc/12/12/70/244121270.db2.gz AFYBJFKILKMNAS-CQSZACIVSA-N 1 0 349.435 -0.384 40 0 EBABRO CS(=O)(=O)NCCNC(=O)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257305860 379198099 /nfs/dbraw/zinc/19/80/99/379198099.db2.gz SRWLHOORBZVRKZ-ZDUSSCGKSA-N 1 0 344.412 -0.731 40 0 EBABRO [NH3+][C@@H]1C(=O)[C@@H]2C(C(=O)[O-])=C(Cn3cc[n+]4ncccc34)CS[C@H]12 ZINC000207877858 379327821 /nfs/dbraw/zinc/32/78/21/379327821.db2.gz PSOARANFLNQYAR-SCRDCRAPSA-O 1 0 331.377 -0.355 40 0 EBABRO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)[C@H]2SC(S(N)(=O)=O)=C[C@H]21 ZINC000040456542 285623098 /nfs/dbraw/zinc/62/30/98/285623098.db2.gz GKNQVLUQWYYZMY-AZQAYCESSA-N 1 0 326.465 -0.010 40 0 EBABRO C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262101951 154213477 /nfs/dbraw/zinc/21/34/77/154213477.db2.gz DTWXPSBFLMBQGG-BARDWOONSA-N 1 0 338.452 -0.530 40 0 EBABRO OCCC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514289191 419058726 /nfs/dbraw/zinc/05/87/26/419058726.db2.gz JDOXFTDPDJWHJF-DLBZAZTESA-N 1 0 332.448 -0.231 40 0 biogenic,in-vitro EBABRO CCS(=O)(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224333723 419862181 /nfs/dbraw/zinc/86/21/81/419862181.db2.gz QUMXTGFTHGTISW-UHFFFAOYSA-N 1 0 341.437 -0.215 40 0 EBABRO C[NH+](CCSC[C@@H]([NH3+])C(=O)[O-])CCSC[C@@H]([NH3+])C(=O)[O-] ZINC000001593494 289684553 /nfs/dbraw/zinc/68/45/53/289684553.db2.gz SWTAINZEIHZNFH-RKDXNWHRSA-N 1 0 325.456 -0.792 40 0 EBABRO CCn1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)cn1 ZINC000257255399 536027698 /nfs/dbraw/zinc/02/76/98/536027698.db2.gz KHHQXIMJRHYUBP-AWEZNQCLSA-N 1 0 349.435 -0.059 40 0 EBABRO Cn1c2nc3scc(CN4CC[NH2+]CC4)n3c2c(=O)n(C)c1=O ZINC000019873754 282608959 /nfs/dbraw/zinc/60/89/59/282608959.db2.gz QBAXPCNWEPVYSR-UHFFFAOYSA-N 1 0 334.405 -0.648 40 0 biogenic,in-vitro EBABRO NC(=O)c1cnc(C[C@H]2COCCN(C(=O)C3CC[NH2+]CC3)C2)cn1 ZINC000072388261 216188336 /nfs/dbraw/zinc/18/83/36/216188336.db2.gz MNIOAZFGCCTBRM-GFCCVEGCSA-N 1 0 347.419 -0.407 40 0 EBABRO Cc1c(CCC(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)cnn1C ZINC000257210015 244146394 /nfs/dbraw/zinc/14/63/94/244146394.db2.gz BSUBCPSAKWZTQV-GOSISDBHSA-N 1 0 349.479 -0.128 40 0 EBABRO CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)CNC(C)=O ZINC000257261176 244346560 /nfs/dbraw/zinc/34/65/60/244346560.db2.gz LGBFTFQBTPBKAJ-INIZCTEOSA-N 1 0 346.431 -0.376 40 0 EBABRO CNC(=S)NCCCN1CC[NH+](CCCNC(=S)NC)CC1 ZINC000019690757 212055908 /nfs/dbraw/zinc/05/59/08/212055908.db2.gz YOEJBDNZBSZNBM-UHFFFAOYSA-N 1 0 346.570 -0.428 40 0 EBABRO C[NH+](C)CCOc1cccc(C(=O)NC[C@@H]2COC[C@@H](O)[C@H]2O)c1 ZINC000585285676 376521446 /nfs/dbraw/zinc/52/14/46/376521446.db2.gz QKLCNIXTPHQAGE-BMFZPTHFSA-N 1 0 338.404 -0.275 40 0 EBABRO CO[C@@H]1COC[C@@H](N(C)C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)[C@@H]1O ZINC000585287367 376522736 /nfs/dbraw/zinc/52/27/36/376522736.db2.gz YXBBIQQAINWAQP-HWMZRRJGSA-N 1 0 343.468 -0.364 40 0 EBABRO C[C@]1(CO)CC2(CN1S(C)(=O)=O)CCN(C(=O)CC[NH3+])CC2 ZINC000257216691 379192976 /nfs/dbraw/zinc/19/29/76/379192976.db2.gz CVSAJGPASBFNEJ-CYBMUJFWSA-N 1 0 333.454 -0.640 40 0 EBABRO CC(C)(CO)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1 ZINC000077301058 380919114 /nfs/dbraw/zinc/91/91/14/380919114.db2.gz HYWLHKPDWVHAKZ-JTQLQIEISA-N 1 0 332.426 -0.525 40 0 in-vitro EBABRO O=C(CCO)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288549 419059725 /nfs/dbraw/zinc/05/97/25/419059725.db2.gz CJOBHSMOLCBTPB-DLBZAZTESA-N 1 0 345.443 -0.099 40 0 biogenic,in-vitro EBABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(S(=O)(=O)C(C)C)C2)CC1 ZINC000257315194 419302863 /nfs/dbraw/zinc/30/28/63/419302863.db2.gz VAISZZMOWTUORO-OAHLLOKOSA-N 1 0 347.481 -0.238 40 0 EBABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCCC3)[C@@H](O)[C@H]2O1 ZINC000225516118 420934308 /nfs/dbraw/zinc/93/43/08/420934308.db2.gz PGQMBEWBSHULNM-SZVRAQGESA-N 1 0 342.436 -0.043 40 0 biogenic,in-vitro EBABRO CC(=O)OC[C@@H]1O[C@H]([NH3+])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000245239670 278219645 /nfs/dbraw/zinc/21/96/45/278219645.db2.gz LMVYBLMOENOGGK-VJTDZRGJSA-N 1 0 347.320 -0.972 40 0 EBABRO CC(=O)OC[C@H]1O[C@@H]([NH3+])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000068603004 278219896 /nfs/dbraw/zinc/21/98/96/278219896.db2.gz LMVYBLMOENOGGK-IKOXMDCHSA-N 1 0 347.320 -0.972 40 0 EBABRO C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1 ZINC000020464806 212135133 /nfs/dbraw/zinc/13/51/33/212135133.db2.gz SXTRNCRRISSHPG-VSZNYVQBSA-N 1 0 335.448 -0.141 40 0 biogenic,in-vitro EBABRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCN2C(=O)CCNC2=O)CC1 ZINC000257210515 244148844 /nfs/dbraw/zinc/14/88/44/244148844.db2.gz BUYYUTWJQXGEEN-MRXNPFEDSA-N 1 0 340.424 -0.376 40 0 EBABRO CNC(=O)[C@@H]1CN(C(=O)c2cnccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257225669 244198954 /nfs/dbraw/zinc/19/89/54/244198954.db2.gz FHGKSGZSZNRHTO-ZDUSSCGKSA-N 1 0 347.419 -0.224 40 0 EBABRO C[N@H+](CCSC[C@H]([NH3+])C(=O)[O-])CCSC[C@@H]([NH3+])C(=O)[O-] ZINC000001593492 375876440 /nfs/dbraw/zinc/87/64/40/375876440.db2.gz SWTAINZEIHZNFH-DTORHVGOSA-N 1 0 325.456 -0.792 40 0 EBABRO COCC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC000096045316 376486926 /nfs/dbraw/zinc/48/69/26/376486926.db2.gz JZWMNUPNAPECLM-AWEZNQCLSA-N 1 0 337.424 0.000 40 0 EBABRO CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000257260614 379192423 /nfs/dbraw/zinc/19/24/23/379192423.db2.gz LDQATJPCZWYTNB-OAHLLOKOSA-N 1 0 338.452 -0.229 40 0 EBABRO [NH3+][C@H](CCCCn1cc[n+](CCCC[C@@H]([NH3+])C(=O)[O-])c1)C(=O)[O-] ZINC000059067650 379729090 /nfs/dbraw/zinc/72/90/90/379729090.db2.gz MOISNZWLLXDVFT-CHWSQXEVSA-O 1 0 327.405 -0.060 40 0 EBABRO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH2+]C3)C2=O)cc1 ZINC000225384272 286304143 /nfs/dbraw/zinc/30/41/43/286304143.db2.gz OARXVMBFMDTQJC-OCCSQVGLSA-N 1 0 331.372 -0.659 40 0 biogenic,in-vitro EBABRO COCCN1C(=O)CO[C@@H]2CCN(C(=O)C3CC[NH2+]CC3)C[C@@H]21 ZINC000257255826 277218381 /nfs/dbraw/zinc/21/83/81/277218381.db2.gz KJALGWCCVGOBHF-UONOGXRCSA-N 1 0 325.409 -0.539 40 0 EBABRO CC1(C(=O)N2CC[C@@]3(Cc4c(nc(N)nc4N)O3)C2)CC[NH2+]CC1 ZINC000257236971 278173367 /nfs/dbraw/zinc/17/33/67/278173367.db2.gz HEQGIXYLBXKSEQ-MRXNPFEDSA-N 1 0 332.408 -0.063 40 0 EBABRO CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H]([NH3+])[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000034868693 278219133 /nfs/dbraw/zinc/21/91/33/278219133.db2.gz ZRAWPYYLRZSVEU-QSLWVIQJSA-N 1 0 347.320 -0.972 40 0 EBABRO Cn1c(=O)cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)n(C)c1=O ZINC000257327087 294139848 /nfs/dbraw/zinc/13/98/48/294139848.db2.gz WZWKNYBJSLWJFO-AWEZNQCLSA-N 1 0 328.372 -0.129 40 0 EBABRO CC(C)([NH3+])C(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1 ZINC000257208312 535195266 /nfs/dbraw/zinc/19/52/66/535195266.db2.gz BLPPQMDHXJKTFW-CQSZACIVSA-N 1 0 342.421 -0.800 40 0 EBABRO CNC(=O)[C@H]1CN(C(=O)c2cnccn2)CC[N@@H+](C2CCOCC2)C1 ZINC000257225668 536398286 /nfs/dbraw/zinc/39/82/86/536398286.db2.gz FHGKSGZSZNRHTO-CYBMUJFWSA-N 1 0 347.419 -0.224 40 0 EBABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CN2C(=O)CNC2=O)cc1 ZINC000257205644 536944536 /nfs/dbraw/zinc/94/45/36/536944536.db2.gz AZZPWRQKSZBFNV-CYBMUJFWSA-N 1 0 332.360 -0.280 40 0 EBABRO CN1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)CC1 ZINC000022926957 563651152 /nfs/dbraw/zinc/65/11/52/563651152.db2.gz JRPCDWWWPLMOIG-SOUVJXGZSA-N 1 0 330.498 -0.507 40 0 biogenic,in-vitro EBABRO O=C(NCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1 ZINC000217374721 241246616 /nfs/dbraw/zinc/24/66/16/241246616.db2.gz GKIDGKHFVZZMRH-VXGBXAGGSA-N 1 0 332.809 -0.183 40 0 EBABRO COc1ccccc1N1CCN([C@H]2[C@@H](C[NH3+])O[C@@H](CO)[C@H]2O)CC1 ZINC000020465492 212134645 /nfs/dbraw/zinc/13/46/45/212134645.db2.gz UGGLHOWTLWWFMM-LTIDMASMSA-N 1 0 337.420 -0.735 40 0 biogenic,in-vitro EBABRO CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)CNC(C)=O ZINC000257261177 244348445 /nfs/dbraw/zinc/34/84/45/244348445.db2.gz LGBFTFQBTPBKAJ-MRXNPFEDSA-N 1 0 346.431 -0.376 40 0 EBABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cnc(N2CCOCC2)nc1 ZINC000019576030 376004626 /nfs/dbraw/zinc/00/46/26/376004626.db2.gz QRASVOAJWGNSAA-CWRNSKLLSA-N 1 0 333.436 -0.048 40 0 EBABRO C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000052969719 296263605 /nfs/dbraw/zinc/26/36/05/296263605.db2.gz QVCMHGGNRFRMAD-IKNRFXQBSA-N 1 0 325.361 -0.393 40 0 in-man EBABRO C[N@H+](CCC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1)Cc1ccccn1 ZINC000257304716 379199019 /nfs/dbraw/zinc/19/90/19/379199019.db2.gz SMVQQXZRNOSULH-IAGOWNOFSA-N 1 0 348.447 -0.193 40 0 EBABRO CN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2 ZINC000257299768 379199165 /nfs/dbraw/zinc/19/91/65/379199165.db2.gz RRNKDGUPVINBPT-STQMWFEESA-N 1 0 335.470 -0.271 40 0 EBABRO CNC(=O)[C@H]1CN(C(=O)c2ccc3oc(=O)n(C)c3c2)CC[N@H+](C)C1 ZINC000257331022 419303451 /nfs/dbraw/zinc/30/34/51/419303451.db2.gz XRBLWAFLLXRADJ-GFCCVEGCSA-N 1 0 346.387 -0.119 40 0 EBABRO C[NH+](C)CCNc1nc(NCCN2CCOCC2)cc(C2CC2)n1 ZINC000329025202 419504906 /nfs/dbraw/zinc/50/49/06/419504906.db2.gz PELGKCIHLQPXPL-UHFFFAOYSA-N 1 0 334.468 -0.085 40 0 EBABRO Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH+](C)C)[C@@H](O)[C@H]3O2)cn1 ZINC000225517280 420934020 /nfs/dbraw/zinc/93/40/20/420934020.db2.gz TWYPIUURBSYSMD-HGYYMRRCSA-N 1 0 338.408 -0.726 40 0 biogenic,in-vitro EBABRO Nc1nc2c(c(N)n1)C[C@@]1(COCCN(C(=O)C3CC[NH2+]CC3)C1)O2 ZINC000257335903 295369691 /nfs/dbraw/zinc/36/96/91/295369691.db2.gz YMJRQAXFPZSLSY-MRXNPFEDSA-N 1 0 348.407 -0.827 40 0 EBABRO