smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1cc(NC[C@@H]2CC[C@@]3(C[NH2+]CCOC3)O2)[nH+]cn1 ZINC000096160694 395746664 /nfs/dbraw/zinc/74/66/64/395746664.db2.gz OBCPOJDJEPOULR-WFASDCNBSA-N 2 2 307.398 0.492 40 0 DCABLP CN(C)c1cc(NC[C@@H]2CC[C@@]3(C[NH2+]CCOC3)O2)nc[nH+]1 ZINC000096160694 395746666 /nfs/dbraw/zinc/74/66/66/395746666.db2.gz OBCPOJDJEPOULR-WFASDCNBSA-N 2 2 307.398 0.492 40 0 DCABLP CC(C)C[N@@H+]1CCNC(=O)C12CCN(Cc1[nH+]ccn1C)CC2 ZINC000096230169 395750875 /nfs/dbraw/zinc/75/08/75/395750875.db2.gz FHOFXUXRBAHYOK-UHFFFAOYSA-N 2 2 319.453 0.843 40 0 DCABLP CC(C)C[N@H+]1CCNC(=O)C12CCN(Cc1[nH+]ccn1C)CC2 ZINC000096230169 395750877 /nfs/dbraw/zinc/75/08/77/395750877.db2.gz FHOFXUXRBAHYOK-UHFFFAOYSA-N 2 2 319.453 0.843 40 0 DCABLP CN(C[C@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)CC[NH3+] ZINC000257249780 396043482 /nfs/dbraw/zinc/04/34/82/396043482.db2.gz JJSNUJFXHBQFNJ-MRXNPFEDSA-N 2 2 317.393 0.083 40 0 DCABLP COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CC2CCCCC2)[C@@H]1O ZINC000020463791 182220848 /nfs/dbraw/zinc/22/08/48/182220848.db2.gz DSVFOYYJEUJJAS-DGXTUMSLSA-N 2 2 314.426 0.246 40 0 biogenic,in-vitro DCABLP C[NH+]1CCC([N@@H+]2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)CC1 ZINC000257258273 396044428 /nfs/dbraw/zinc/04/44/28/396044428.db2.gz KTCMDQGNGKETIZ-CZUORRHYSA-N 2 2 322.409 0.041 40 0 DCABLP C[NH+]1CCC([N@H+]2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)CC1 ZINC000257258273 396044430 /nfs/dbraw/zinc/04/44/30/396044430.db2.gz KTCMDQGNGKETIZ-CZUORRHYSA-N 2 2 322.409 0.041 40 0 DCABLP CCN1C(=O)C[C@H]([NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000015080542 395689816 /nfs/dbraw/zinc/68/98/16/395689816.db2.gz WAUOPYJPQAACKF-ZDUSSCGKSA-N 2 2 317.393 0.363 40 0 DCABLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCO)CC[C@@H]3C2)cs1 ZINC000096249697 395751963 /nfs/dbraw/zinc/75/19/63/395751963.db2.gz UPVCKCWWZNLVIK-UKRRQHHQSA-N 2 2 311.451 0.967 40 0 DCABLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCO)CC[C@@H]3C2)cs1 ZINC000096249697 395751965 /nfs/dbraw/zinc/75/19/65/395751965.db2.gz UPVCKCWWZNLVIK-UKRRQHHQSA-N 2 2 311.451 0.967 40 0 DCABLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)cs1 ZINC000096249697 395751967 /nfs/dbraw/zinc/75/19/67/395751967.db2.gz UPVCKCWWZNLVIK-UKRRQHHQSA-N 2 2 311.451 0.967 40 0 DCABLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)cs1 ZINC000096249697 395751968 /nfs/dbraw/zinc/75/19/68/395751968.db2.gz UPVCKCWWZNLVIK-UKRRQHHQSA-N 2 2 311.451 0.967 40 0 DCABLP CCN1C(=O)C[C@@H]([NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000103462968 415617610 /nfs/dbraw/zinc/61/76/10/415617610.db2.gz WAUOPYJPQAACKF-CYBMUJFWSA-N 2 2 317.393 0.363 40 0 DCABLP CC(=O)NCC(=O)N1Cc2[nH+]ccn2C[C@H](C[N@@H+](C)C(C)C)C1 ZINC000096188335 278094168 /nfs/dbraw/zinc/09/41/68/278094168.db2.gz OTIILFBCXGZWIA-AWEZNQCLSA-N 2 2 321.425 0.318 40 0 DCABLP CC(=O)NCC(=O)N1Cc2[nH+]ccn2C[C@H](C[N@H+](C)C(C)C)C1 ZINC000096188335 278094170 /nfs/dbraw/zinc/09/41/70/278094170.db2.gz OTIILFBCXGZWIA-AWEZNQCLSA-N 2 2 321.425 0.318 40 0 DCABLP CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccc1 ZINC000020465836 182220803 /nfs/dbraw/zinc/22/08/03/182220803.db2.gz HHDLRGBVXOLRQM-VSZNYVQBSA-N 2 2 322.449 0.648 40 0 biogenic,in-vitro DCABLP CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@@H+](C)CCc1ccccc1 ZINC000020465836 182220805 /nfs/dbraw/zinc/22/08/05/182220805.db2.gz HHDLRGBVXOLRQM-VSZNYVQBSA-N 2 2 322.449 0.648 40 0 biogenic,in-vitro DCABLP c1ncn(Cc2c[nH+]c3n2CC[N@@H+](C[C@H]2CCOC2)CC3)n1 ZINC000096197008 395748223 /nfs/dbraw/zinc/74/82/23/395748223.db2.gz XMJFXIKEKCDRMC-CYBMUJFWSA-N 2 2 302.382 0.418 40 0 DCABLP c1ncn(Cc2c[nH+]c3n2CC[N@H+](C[C@H]2CCOC2)CC3)n1 ZINC000096197008 395748224 /nfs/dbraw/zinc/74/82/24/395748224.db2.gz XMJFXIKEKCDRMC-CYBMUJFWSA-N 2 2 302.382 0.418 40 0 DCABLP C[NH+](C)CCN1CCOC[C@@]2(C[N@H+](Cc3ccoc3)CCO2)C1 ZINC000096049774 395741677 /nfs/dbraw/zinc/74/16/77/395741677.db2.gz JIUNUQRVJMOAQR-KRWDZBQOSA-N 2 2 323.437 0.744 40 0 DCABLP C[NH+](C)CCN1CCOC[C@@]2(C[N@@H+](Cc3ccoc3)CCO2)C1 ZINC000096049774 395741679 /nfs/dbraw/zinc/74/16/79/395741679.db2.gz JIUNUQRVJMOAQR-KRWDZBQOSA-N 2 2 323.437 0.744 40 0 DCABLP CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000225403214 395858723 /nfs/dbraw/zinc/85/87/23/395858723.db2.gz HJSSOVFZAWSPLD-AWEZNQCLSA-N 2 2 324.469 0.578 40 0 biogenic,in-vitro DCABLP [NH3+][C@@H](c1nnc(CC[NH+]2CCOCC2)[nH]1)c1ccc(F)cc1 ZINC000095533293 415564427 /nfs/dbraw/zinc/56/44/27/415564427.db2.gz VXSATISJRGSSNU-CQSZACIVSA-N 2 2 305.357 0.867 40 0 DCABLP CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)Cn1cc[nH+]c1 ZINC000257200544 396035937 /nfs/dbraw/zinc/03/59/37/396035937.db2.gz ADSWVTWUXHFMNC-MRXNPFEDSA-N 2 2 315.377 0.378 40 0 DCABLP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@H+](C3CCOCC3)C[C@H]21 ZINC000067897341 396038289 /nfs/dbraw/zinc/03/82/89/396038289.db2.gz JYNKHXJUDKFQRE-KGLIPLIRSA-N 2 2 320.393 0.011 40 0 biogenic,in-vitro DCABLP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21 ZINC000067897341 396038293 /nfs/dbraw/zinc/03/82/93/396038293.db2.gz JYNKHXJUDKFQRE-KGLIPLIRSA-N 2 2 320.393 0.011 40 0 biogenic,in-vitro DCABLP c1c(NCC[NH+]2CCOCC2)nc(NC2CC2)[nH+]c1C1CC1 ZINC000328974899 416143335 /nfs/dbraw/zinc/14/33/35/416143335.db2.gz FHLLIEKGATWPQZ-UHFFFAOYSA-N 2 2 303.410 0.516 40 0 DCABLP COCC[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096068114 395742562 /nfs/dbraw/zinc/74/25/62/395742562.db2.gz PONCHXMAJTXWDX-UHFFFAOYSA-N 2 2 303.366 0.340 40 0 DCABLP COCC[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096068114 395742564 /nfs/dbraw/zinc/74/25/64/395742564.db2.gz PONCHXMAJTXWDX-UHFFFAOYSA-N 2 2 303.366 0.340 40 0 DCABLP Cc1nc(C(=O)NCc2[nH]cc[nH+]2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072365705 191136095 /nfs/dbraw/zinc/13/60/95/191136095.db2.gz QNYLFYRZXWCIGZ-NSHDSACASA-N 2 2 300.366 0.905 40 0 DCABLP C[C@@]12C[C@H](C[NH3+])N(C(=O)Cn3cc[nH+]c3)[C@@H]1CCCC[C@H]2O ZINC000257279017 203008667 /nfs/dbraw/zinc/00/86/67/203008667.db2.gz OEQFDSKYMWLSME-IXYNUQLISA-N 2 2 306.410 0.753 40 0 DCABLP CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH+](CCO)CCO)[C@@H]2[NH2+]CCO ZINC000039738149 183021716 /nfs/dbraw/zinc/02/17/16/183021716.db2.gz ZYCSCYZDDHQTMB-DSJMHWKBSA-N 2 2 300.443 0.048 40 0 DCABLP OCC[N@@H+]1CCOC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240673 395751110 /nfs/dbraw/zinc/75/11/10/395751110.db2.gz WCVQPAPZPRKBSH-HOCLYGCPSA-N 2 2 307.394 0.593 40 0 DCABLP OCC[N@H+]1CCOC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240673 395751111 /nfs/dbraw/zinc/75/11/11/395751111.db2.gz WCVQPAPZPRKBSH-HOCLYGCPSA-N 2 2 307.394 0.593 40 0 DCABLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257266623 396045645 /nfs/dbraw/zinc/04/56/45/396045645.db2.gz MDTGOIMSFGCYSB-ZDUSSCGKSA-N 2 2 303.341 0.643 40 0 DCABLP COc1ccc([C@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)cc1 ZINC000095533700 415562532 /nfs/dbraw/zinc/56/25/32/415562532.db2.gz PGJYGSIECMJSKS-HNNXBMFYSA-N 2 2 317.393 0.736 40 0 DCABLP CC(C)([NH3+])C(=O)N1CCC[C@]2(Cc3c([nH+]c(N)nc3N)O2)CC1 ZINC000257299176 203023260 /nfs/dbraw/zinc/02/32/60/203023260.db2.gz RPAHIXLXPYLHOR-OAHLLOKOSA-N 2 2 320.397 0.065 40 0 DCABLP CC(C)([NH3+])C(=O)N1CCC[C@]2(Cc3c(nc(N)[nH+]c3N)O2)CC1 ZINC000257299176 203023264 /nfs/dbraw/zinc/02/32/64/203023264.db2.gz RPAHIXLXPYLHOR-OAHLLOKOSA-N 2 2 320.397 0.065 40 0 DCABLP [NH3+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000012483466 395687711 /nfs/dbraw/zinc/68/77/11/395687711.db2.gz MSJXHALFCRWCRW-HSFUPAIVSA-N 2 2 318.417 0.753 40 0 biogenic,in-vitro DCABLP CN1CC[NH+]([C@@H]2COC3(C2)CC[NH+](Cc2cc[nH]n2)CC3)CC1 ZINC000096074165 395743184 /nfs/dbraw/zinc/74/31/84/395743184.db2.gz XEQFOUCEDIBZQA-INIZCTEOSA-N 2 2 319.453 0.781 40 0 DCABLP C[NH+]1CCN([C@@H]2COC3(C2)CC[NH+](Cc2cc[nH]n2)CC3)CC1 ZINC000096074165 395743185 /nfs/dbraw/zinc/74/31/85/395743185.db2.gz XEQFOUCEDIBZQA-INIZCTEOSA-N 2 2 319.453 0.781 40 0 DCABLP Cn1c[nH+]cc1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC000096084977 395744028 /nfs/dbraw/zinc/74/40/28/395744028.db2.gz VEFGXDYHEAPIEI-UHFFFAOYSA-N 2 2 311.393 0.920 40 0 DCABLP Cn1c[nH+]cc1C[N@@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC000096084977 395744029 /nfs/dbraw/zinc/74/40/29/395744029.db2.gz VEFGXDYHEAPIEI-UHFFFAOYSA-N 2 2 311.393 0.920 40 0 DCABLP O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000097954349 395761494 /nfs/dbraw/zinc/76/14/94/395761494.db2.gz YLPTWOOUHRPSQT-CVEARBPZSA-N 2 2 319.405 0.787 40 0 DCABLP O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000097954349 395761496 /nfs/dbraw/zinc/76/14/96/395761496.db2.gz YLPTWOOUHRPSQT-CVEARBPZSA-N 2 2 319.405 0.787 40 0 DCABLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257220840 396038637 /nfs/dbraw/zinc/03/86/37/396038637.db2.gz DMJWAKPVJHGGCR-IIAWOOMASA-N 2 2 306.410 0.719 40 0 DCABLP C[NH+](C)CCN1CCOC[C@@]2(C[N@H+](Cc3ccco3)CCO2)C1 ZINC000096049770 395741732 /nfs/dbraw/zinc/74/17/32/395741732.db2.gz IFYZKKREKIFVBZ-KRWDZBQOSA-N 2 2 323.437 0.744 40 0 DCABLP C[NH+](C)CCN1CCOC[C@@]2(C[N@@H+](Cc3ccco3)CCO2)C1 ZINC000096049770 395741733 /nfs/dbraw/zinc/74/17/33/395741733.db2.gz IFYZKKREKIFVBZ-KRWDZBQOSA-N 2 2 323.437 0.744 40 0 DCABLP COCCNC(=O)[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247835689 395979284 /nfs/dbraw/zinc/97/92/84/395979284.db2.gz JCJGOCSENXGZCF-OAHLLOKOSA-N 2 2 322.409 0.429 40 0 DCABLP COCCNC(=O)[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247835689 395979288 /nfs/dbraw/zinc/97/92/88/395979288.db2.gz JCJGOCSENXGZCF-OAHLLOKOSA-N 2 2 322.409 0.429 40 0 DCABLP COCCNC(=O)[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247835686 395979752 /nfs/dbraw/zinc/97/97/52/395979752.db2.gz JCJGOCSENXGZCF-HNNXBMFYSA-N 2 2 322.409 0.429 40 0 DCABLP COCCNC(=O)[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000247835686 395979753 /nfs/dbraw/zinc/97/97/53/395979753.db2.gz JCJGOCSENXGZCF-HNNXBMFYSA-N 2 2 322.409 0.429 40 0 DCABLP CNC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2C)CC[N@@H+]1C(C)C ZINC000257332790 203055292 /nfs/dbraw/zinc/05/52/92/203055292.db2.gz XYQCQBRMMSFTEF-CQSZACIVSA-N 2 2 321.425 0.249 40 0 DCABLP CNC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2C)CC[N@H+]1C(C)C ZINC000257332790 203055293 /nfs/dbraw/zinc/05/52/93/203055293.db2.gz XYQCQBRMMSFTEF-CQSZACIVSA-N 2 2 321.425 0.249 40 0 DCABLP CN1C(=O)c2cccnc2O[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC000514288904 257216195 /nfs/dbraw/zinc/21/61/95/257216195.db2.gz DAEQBOMPWRSEST-CABCVRRESA-N 2 2 316.405 0.693 40 0 biogenic,in-vitro DCABLP CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC000514288904 257216196 /nfs/dbraw/zinc/21/61/96/257216196.db2.gz DAEQBOMPWRSEST-CABCVRRESA-N 2 2 316.405 0.693 40 0 biogenic,in-vitro DCABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1F ZINC000952844999 768910130 /nfs/dbraw/zinc/91/01/30/768910130.db2.gz YAJSJIMRDNGAHU-DGXTUMSLSA-N 2 2 319.336 0.838 40 0 biogenic,in-vitro DCABLP [NH3+]CCC(=O)NC[C@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000257227808 396040890 /nfs/dbraw/zinc/04/08/90/396040890.db2.gz FQZLGTAWDCXDDQ-MRXNPFEDSA-N 2 2 315.377 0.036 40 0 DCABLP CNC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2C)CC[N@@H+]1C(C)C ZINC000257332789 416335373 /nfs/dbraw/zinc/33/53/73/416335373.db2.gz XYQCQBRMMSFTEF-AWEZNQCLSA-N 2 2 321.425 0.249 40 0 DCABLP CNC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2C)CC[N@H+]1C(C)C ZINC000257332789 416335374 /nfs/dbraw/zinc/33/53/74/416335374.db2.gz XYQCQBRMMSFTEF-AWEZNQCLSA-N 2 2 321.425 0.249 40 0 DCABLP c1ncn(Cc2c[nH+]c3n2CC[N@@H+](Cc2ccncc2)CC3)n1 ZINC000096196990 395748487 /nfs/dbraw/zinc/74/84/87/395748487.db2.gz DOFHTFPXLXRNJZ-UHFFFAOYSA-N 2 2 309.377 0.976 40 0 DCABLP c1ncn(Cc2c[nH+]c3n2CC[N@H+](Cc2ccncc2)CC3)n1 ZINC000096196990 395748488 /nfs/dbraw/zinc/74/84/88/395748488.db2.gz DOFHTFPXLXRNJZ-UHFFFAOYSA-N 2 2 309.377 0.976 40 0 DCABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1F ZINC000952844922 768910250 /nfs/dbraw/zinc/91/02/50/768910250.db2.gz TYHDEJUBDNANLI-ARILJUKYSA-N 2 2 320.324 0.233 40 0 biogenic,in-vitro DCABLP Cc1nc(C(=O)N2CC[NH+](C)CC2)cc(C2CC[NH+](C)CC2)n1 ZINC000072382859 191142808 /nfs/dbraw/zinc/14/28/08/191142808.db2.gz XTZFHSIFHJVGGA-UHFFFAOYSA-N 2 2 317.437 0.982 40 0 DCABLP C[NH+]1CCN(C(=O)c2cncc([C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000257275277 203003659 /nfs/dbraw/zinc/00/36/59/203003659.db2.gz NOQVLLCMVZPAJR-ZDUSSCGKSA-N 2 2 303.410 0.673 40 0 DCABLP C[NH+]1CCN(C(=O)c2cncc([C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000257275277 203003663 /nfs/dbraw/zinc/00/36/63/203003663.db2.gz NOQVLLCMVZPAJR-ZDUSSCGKSA-N 2 2 303.410 0.673 40 0 DCABLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257326534 203050379 /nfs/dbraw/zinc/05/03/79/203050379.db2.gz WXOPHDZUPUUVLX-INIZCTEOSA-N 2 2 315.377 0.344 40 0 DCABLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1[nH]c[nH+]c1C)CC2 ZINC000096073120 395743248 /nfs/dbraw/zinc/74/32/48/395743248.db2.gz QREXWGFQDQDOAE-ZDUSSCGKSA-N 2 2 322.409 0.604 40 0 DCABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccnc1 ZINC000952844907 768909946 /nfs/dbraw/zinc/90/99/46/768909946.db2.gz SCBNAPCEARDTEE-ARILJUKYSA-N 2 2 302.334 0.094 40 0 biogenic,in-vitro DCABLP O=C1CN(C[NH+]2CCCCC2)C(=O)CN1C[NH+]1CCCCC1 ZINC000031720547 296334267 /nfs/dbraw/zinc/33/42/67/296334267.db2.gz URZZUVVXVQGSNW-UHFFFAOYSA-N 2 2 308.426 0.544 40 0 DCABLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+](C2CCOCC2)CC3)CC1 ZINC000096197320 395748236 /nfs/dbraw/zinc/74/82/36/395748236.db2.gz BLHGSTIBSFHUGA-UHFFFAOYSA-N 2 2 319.453 0.625 40 0 DCABLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+](C2CCOCC2)CC3)CC1 ZINC000096197320 395748239 /nfs/dbraw/zinc/74/82/39/395748239.db2.gz BLHGSTIBSFHUGA-UHFFFAOYSA-N 2 2 319.453 0.625 40 0 DCABLP Cc1[nH+]c2ccccn2c1CC(=O)N1C[C@@H](O)[C@H]([NH+](C)C)C1 ZINC000257200531 396035955 /nfs/dbraw/zinc/03/59/55/396035955.db2.gz ADRZZMMNKLHCCF-ZIAGYGMSSA-N 2 2 302.378 0.319 40 0 DCABLP CCc1[nH]c(C[N@@H+]2CCOC[C@](CC(N)=O)(OC)C2)c(C)[nH+]1 ZINC000585278978 396644745 /nfs/dbraw/zinc/64/47/45/396644745.db2.gz JQVFYBOCVYLFFQ-OAHLLOKOSA-N 2 2 310.398 0.373 40 0 DCABLP CCc1[nH]c(C[N@H+]2CCOC[C@](CC(N)=O)(OC)C2)c(C)[nH+]1 ZINC000585278978 396644748 /nfs/dbraw/zinc/64/47/48/396644748.db2.gz JQVFYBOCVYLFFQ-OAHLLOKOSA-N 2 2 310.398 0.373 40 0 DCABLP COc1cc2[nH+]cn([C@H]3[C@@H]4OC[C@@H](O4)[C@@H]([NH3+])[C@@H]3O)c2cc1OC ZINC000952844983 768909864 /nfs/dbraw/zinc/90/98/64/768909864.db2.gz XHVKJXVFLZTBJW-ARILJUKYSA-N 2 2 321.333 0.038 40 0 biogenic,in-vitro DCABLP CCn1cc(-c2c[nH+]cn2CC[NH2+][C@H]2CCS(=O)(=O)C2)cn1 ZINC000019719596 182138444 /nfs/dbraw/zinc/13/84/44/182138444.db2.gz LRGNQHRZDWILTF-ZDUSSCGKSA-N 2 2 323.422 0.543 40 0 DCABLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096049462 395740908 /nfs/dbraw/zinc/74/09/08/395740908.db2.gz HHIFVIXGAURVJK-QGZVFWFLSA-N 2 2 322.453 0.981 40 0 DCABLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096049462 395740910 /nfs/dbraw/zinc/74/09/10/395740910.db2.gz HHIFVIXGAURVJK-QGZVFWFLSA-N 2 2 322.453 0.981 40 0 DCABLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096049462 395740911 /nfs/dbraw/zinc/74/09/11/395740911.db2.gz HHIFVIXGAURVJK-QGZVFWFLSA-N 2 2 322.453 0.981 40 0 DCABLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC000096049462 395740914 /nfs/dbraw/zinc/74/09/14/395740914.db2.gz HHIFVIXGAURVJK-QGZVFWFLSA-N 2 2 322.453 0.981 40 0 DCABLP [NH3+]CCC(=O)NC[C@@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000257227807 396040812 /nfs/dbraw/zinc/04/08/12/396040812.db2.gz FQZLGTAWDCXDDQ-INIZCTEOSA-N 2 2 315.377 0.036 40 0 DCABLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585290831 396647599 /nfs/dbraw/zinc/64/75/99/396647599.db2.gz HFTXBBVDGVQFAR-UBTNOTLOSA-N 2 2 304.394 0.917 40 0 DCABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccn1 ZINC000952844771 768908430 /nfs/dbraw/zinc/90/84/30/768908430.db2.gz IDUIRDZPUJGCBE-ARILJUKYSA-N 2 2 302.334 0.094 40 0 biogenic,in-vitro DCABLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257221916 396039759 /nfs/dbraw/zinc/03/97/59/396039759.db2.gz DRCVCZYTYMDYOB-IIAWOOMASA-N 2 2 306.410 0.767 40 0 DCABLP CNC(=O)[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257332937 416335319 /nfs/dbraw/zinc/33/53/19/416335319.db2.gz XZJTVHNTIAYVSG-CYBMUJFWSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+](C2CCOCC2)C1 ZINC000257332937 416335320 /nfs/dbraw/zinc/33/53/20/416335320.db2.gz XZJTVHNTIAYVSG-CYBMUJFWSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257332937 416335321 /nfs/dbraw/zinc/33/53/21/416335321.db2.gz XZJTVHNTIAYVSG-CYBMUJFWSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+](C2CCOCC2)C1 ZINC000257332937 416335322 /nfs/dbraw/zinc/33/53/22/416335322.db2.gz XZJTVHNTIAYVSG-CYBMUJFWSA-N 2 2 321.425 0.069 40 0 DCABLP CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)N(C)C)Cc2c[nH+]cn21 ZINC000306141161 279125888 /nfs/dbraw/zinc/12/58/88/279125888.db2.gz VMVYLXTVFQJPQX-CYBMUJFWSA-N 2 2 315.443 0.388 40 0 DCABLP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccn2)[C@@H]1O ZINC000952844683 768908297 /nfs/dbraw/zinc/90/82/97/768908297.db2.gz GEBCZMLZWIHHKR-DGXTUMSLSA-N 2 2 316.361 0.402 40 0 biogenic,in-vitro DCABLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350643 191127602 /nfs/dbraw/zinc/12/76/02/191127602.db2.gz UKPJEHMGDGLEJK-CYBMUJFWSA-N 2 2 314.393 0.930 40 0 DCABLP CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350643 191127605 /nfs/dbraw/zinc/12/76/05/191127605.db2.gz UKPJEHMGDGLEJK-CYBMUJFWSA-N 2 2 314.393 0.930 40 0 DCABLP CC[NH+](CC)C[C@H]1CN(S(=O)(=O)N(C)C)Cc2c[nH+]cn21 ZINC000306141162 276109870 /nfs/dbraw/zinc/10/98/70/276109870.db2.gz VMVYLXTVFQJPQX-ZDUSSCGKSA-N 2 2 315.443 0.388 40 0 DCABLP Cc1cc2ncc(C[NH+](C)C)c([C@H]3C[N@H+](CCO)CCO3)n2n1 ZINC000257208974 396038077 /nfs/dbraw/zinc/03/80/77/396038077.db2.gz BOIWFIWFVOQUOI-CQSZACIVSA-N 2 2 319.409 0.465 40 0 DCABLP Cc1cc2ncc(C[NH+](C)C)c([C@H]3C[N@@H+](CCO)CCO3)n2n1 ZINC000257208974 396038080 /nfs/dbraw/zinc/03/80/80/396038080.db2.gz BOIWFIWFVOQUOI-CQSZACIVSA-N 2 2 319.409 0.465 40 0 DCABLP CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2[nH+]ccn2C)c1 ZINC000257294632 203020002 /nfs/dbraw/zinc/02/00/02/203020002.db2.gz QUZRKVJHEKZXTQ-OAHLLOKOSA-N 2 2 313.405 0.926 40 0 DCABLP COc1cccc([C@@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)c1 ZINC000095533559 257137063 /nfs/dbraw/zinc/13/70/63/257137063.db2.gz LIRGXZHBHXCATL-OAHLLOKOSA-N 2 2 317.393 0.736 40 0 DCABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)O2)CC1 ZINC000096057349 395742060 /nfs/dbraw/zinc/74/20/60/395742060.db2.gz GKUUZUXIAGBEDR-OAGGEKHMSA-N 2 2 307.438 0.792 40 0 DCABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC3)O2)CC1 ZINC000096057349 395742061 /nfs/dbraw/zinc/74/20/61/395742061.db2.gz GKUUZUXIAGBEDR-OAGGEKHMSA-N 2 2 307.438 0.792 40 0 DCABLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1[nH]c[nH+]c1C)CC2 ZINC000096073121 395743308 /nfs/dbraw/zinc/74/33/08/395743308.db2.gz QREXWGFQDQDOAE-CYBMUJFWSA-N 2 2 322.409 0.604 40 0 DCABLP Cn1c[nH+]c(CNC(=O)c2ccccc2-n2cc(C[NH3+])cn2)c1 ZINC000257344309 203066600 /nfs/dbraw/zinc/06/66/00/203066600.db2.gz ZWNVSXYBBZELFR-UHFFFAOYSA-N 2 2 310.361 0.995 40 0 DCABLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257326535 256621785 /nfs/dbraw/zinc/62/17/85/256621785.db2.gz WXOPHDZUPUUVLX-MRXNPFEDSA-N 2 2 315.377 0.344 40 0 DCABLP Cc1cc2[nH]c(CCNC(=O)[C@@H]3C[NH2+]CCO3)[nH+]c2cc1C ZINC000257243548 416334858 /nfs/dbraw/zinc/33/48/58/416334858.db2.gz IHMSEMSODVVPRJ-AWEZNQCLSA-N 2 2 302.378 0.827 40 0 DCABLP Cn1cc[nH+]c1CNC(=O)c1cncc(C2CC[NH2+]CC2)n1 ZINC000257228728 416334875 /nfs/dbraw/zinc/33/48/75/416334875.db2.gz FUZZXDKDNKHULS-UHFFFAOYSA-N 2 2 300.366 0.607 40 0 DCABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1 ZINC000952844636 768908666 /nfs/dbraw/zinc/90/86/66/768908666.db2.gz DCICYRZNLVFZBX-DGXTUMSLSA-N 2 2 301.346 0.699 40 0 biogenic,in-vitro DCABLP Cc1nc(C(=O)NCc2[nH]cc[nH+]2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365704 191136042 /nfs/dbraw/zinc/13/60/42/191136042.db2.gz QNYLFYRZXWCIGZ-LLVKDONJSA-N 2 2 300.366 0.905 40 0 DCABLP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)CC1 ZINC000096110708 395744889 /nfs/dbraw/zinc/74/48/89/395744889.db2.gz QRINQELWUBXTAP-OAGGEKHMSA-N 2 2 319.405 0.785 40 0 DCABLP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3[C@@H](CC[N@H+]3Cc3ccco3)O2)CC1 ZINC000096110708 395744892 /nfs/dbraw/zinc/74/48/92/395744892.db2.gz QRINQELWUBXTAP-OAGGEKHMSA-N 2 2 319.405 0.785 40 0 DCABLP Cn1cc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)cn1 ZINC000096220711 395750414 /nfs/dbraw/zinc/75/04/14/395750414.db2.gz YCFVIEOKKZOYRG-DOTOQJQBSA-N 2 2 320.437 0.732 40 0 DCABLP Cn1cc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)cn1 ZINC000096220711 395750418 /nfs/dbraw/zinc/75/04/18/395750418.db2.gz YCFVIEOKKZOYRG-DOTOQJQBSA-N 2 2 320.437 0.732 40 0 DCABLP Cn1cc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)cn1 ZINC000096220711 395750419 /nfs/dbraw/zinc/75/04/19/395750419.db2.gz YCFVIEOKKZOYRG-DOTOQJQBSA-N 2 2 320.437 0.732 40 0 DCABLP Cn1cc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)cn1 ZINC000096220711 395750422 /nfs/dbraw/zinc/75/04/22/395750422.db2.gz YCFVIEOKKZOYRG-DOTOQJQBSA-N 2 2 320.437 0.732 40 0 DCABLP CCC[N@@H+](Cc1[nH]c(CC)[nH+]c1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291507 396648586 /nfs/dbraw/zinc/64/85/86/396648586.db2.gz PNYVRHQBLGYRTK-XPKDYRNWSA-N 2 2 311.426 0.861 40 0 DCABLP CCC[N@H+](Cc1[nH]c(CC)[nH+]c1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291507 396648587 /nfs/dbraw/zinc/64/85/87/396648587.db2.gz PNYVRHQBLGYRTK-XPKDYRNWSA-N 2 2 311.426 0.861 40 0 DCABLP CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000012483544 395687686 /nfs/dbraw/zinc/68/76/86/395687686.db2.gz IUIABSWASDNAEG-OVYGPGRDSA-N 2 2 306.406 0.971 40 0 biogenic,in-vitro DCABLP Cn1cccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000012529605 395687827 /nfs/dbraw/zinc/68/78/27/395687827.db2.gz GBQIZUAVGFSATM-OVYGPGRDSA-N 2 2 321.421 0.454 40 0 biogenic,in-vitro DCABLP C[NH+](C)CCNc1nc(NC[C@@H]2CCCO2)cc(C2CC2)[nH+]1 ZINC000329065111 416148586 /nfs/dbraw/zinc/14/85/86/416148586.db2.gz XPRSALBBHJVLKA-ZDUSSCGKSA-N 2 2 305.426 0.762 40 0 DCABLP CN(C)c1cc(NC[C@H]2CC[C@]3(C[NH2+]CCOC3)O2)[nH+]cn1 ZINC000096160692 395746780 /nfs/dbraw/zinc/74/67/80/395746780.db2.gz OBCPOJDJEPOULR-IUODEOHRSA-N 2 2 307.398 0.492 40 0 DCABLP CN(C)c1cc(NC[C@H]2CC[C@]3(C[NH2+]CCOC3)O2)nc[nH+]1 ZINC000096160692 395746783 /nfs/dbraw/zinc/74/67/83/395746783.db2.gz OBCPOJDJEPOULR-IUODEOHRSA-N 2 2 307.398 0.492 40 0 DCABLP c1ncn(Cc2c[nH+]c3n2CC[N@@H+](C[C@@H]2CCOC2)CC3)n1 ZINC000096197007 395748479 /nfs/dbraw/zinc/74/84/79/395748479.db2.gz XMJFXIKEKCDRMC-ZDUSSCGKSA-N 2 2 302.382 0.418 40 0 DCABLP c1ncn(Cc2c[nH+]c3n2CC[N@H+](C[C@@H]2CCOC2)CC3)n1 ZINC000096197007 395748480 /nfs/dbraw/zinc/74/84/80/395748480.db2.gz XMJFXIKEKCDRMC-ZDUSSCGKSA-N 2 2 302.382 0.418 40 0 DCABLP CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)Cn1cc[nH+]c1 ZINC000257200543 396036378 /nfs/dbraw/zinc/03/63/78/396036378.db2.gz ADSWVTWUXHFMNC-INIZCTEOSA-N 2 2 315.377 0.378 40 0 DCABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257237852 396041794 /nfs/dbraw/zinc/04/17/94/396041794.db2.gz HIMOAPSOFVEEGI-AWEZNQCLSA-N 2 2 317.368 0.654 40 0 DCABLP COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000105331273 415632825 /nfs/dbraw/zinc/63/28/25/415632825.db2.gz BTNCFGDKDXJXMS-CQSZACIVSA-N 2 2 314.345 0.883 40 0 DCABLP COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000105331273 415632831 /nfs/dbraw/zinc/63/28/31/415632831.db2.gz BTNCFGDKDXJXMS-CQSZACIVSA-N 2 2 314.345 0.883 40 0 DCABLP CS(=O)(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccco1)CC2 ZINC000096197014 278113619 /nfs/dbraw/zinc/11/36/19/278113619.db2.gz ZYMJTJSQACEOJO-UHFFFAOYSA-N 2 2 324.406 0.584 40 0 DCABLP CS(=O)(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccco1)CC2 ZINC000096197014 278113620 /nfs/dbraw/zinc/11/36/20/278113620.db2.gz ZYMJTJSQACEOJO-UHFFFAOYSA-N 2 2 324.406 0.584 40 0 DCABLP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2nccs2)[C@@H]1O ZINC000952844884 768909882 /nfs/dbraw/zinc/90/98/82/768909882.db2.gz QWGXWYLEJIBKBS-JTDRMQGGSA-N 2 2 322.390 0.464 40 0 biogenic,in-vitro DCABLP CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2[nH+]ccn2C)c1 ZINC000257294631 203019135 /nfs/dbraw/zinc/01/91/35/203019135.db2.gz QUZRKVJHEKZXTQ-HNNXBMFYSA-N 2 2 313.405 0.926 40 0 DCABLP C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000060512646 395962897 /nfs/dbraw/zinc/96/28/97/395962897.db2.gz MTZNJIBIHKMXQV-UHFFFAOYSA-N 2 2 316.449 0.578 40 0 DCABLP CNC(=O)[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257224597 396040140 /nfs/dbraw/zinc/04/01/40/396040140.db2.gz FCMJRBOQCBVAMG-ZDUSSCGKSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+](C2CCOCC2)C1 ZINC000257224597 396040142 /nfs/dbraw/zinc/04/01/42/396040142.db2.gz FCMJRBOQCBVAMG-ZDUSSCGKSA-N 2 2 321.425 0.069 40 0 DCABLP CN(C[C@@]1(O)CCN(c2cccc3[nH+]ccn32)C1)C(=O)CC[NH3+] ZINC000257249779 396043422 /nfs/dbraw/zinc/04/34/22/396043422.db2.gz JJSNUJFXHBQFNJ-INIZCTEOSA-N 2 2 317.393 0.083 40 0 DCABLP Cc1[nH+]c[nH]c1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257268700 396046318 /nfs/dbraw/zinc/04/63/18/396046318.db2.gz MMVBNGULIUZJCH-ZDUSSCGKSA-N 2 2 321.425 0.116 40 0 DCABLP Cc1[nH+]c[nH]c1CN1CC[N@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257268700 396046320 /nfs/dbraw/zinc/04/63/20/396046320.db2.gz MMVBNGULIUZJCH-ZDUSSCGKSA-N 2 2 321.425 0.116 40 0 DCABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CN(c2cc[nH+]cc2)CCO1 ZINC000072366508 191134988 /nfs/dbraw/zinc/13/49/88/191134988.db2.gz IRZXFFROEQJNNM-ZDUSSCGKSA-N 2 2 301.350 0.337 40 0 DCABLP O[C@H]1[C@H](C[NH+]2CCOCC2)OC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000514289061 257216094 /nfs/dbraw/zinc/21/60/94/257216094.db2.gz MYSVVEQPOMJIQT-OKZBNKHCSA-N 2 2 318.417 0.204 40 0 biogenic,in-vitro DCABLP c1nc(C[NH+]2CCC3(C[C@H]([NH+]4CCOCC4)CO3)CC2)c[nH]1 ZINC000096074146 395743538 /nfs/dbraw/zinc/74/35/38/395743538.db2.gz XXESZDRZPBSXLL-HNNXBMFYSA-N 2 2 306.410 0.865 40 0 DCABLP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](C)CC3)cs2)CC1 ZINC000225471754 395860485 /nfs/dbraw/zinc/86/04/85/395860485.db2.gz SGQHUVFKCYVVBC-UHFFFAOYSA-N 2 2 310.467 0.804 40 0 biogenic,in-vitro DCABLP C(C1CC1)[N@@H+]1CCOC[C@@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000107739708 415670301 /nfs/dbraw/zinc/67/03/01/415670301.db2.gz IFRHBCQUXJFFCV-DLBZAZTESA-N 2 2 310.438 0.979 40 0 DCABLP C(C1CC1)[N@H+]1CCOC[C@@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000107739708 415670307 /nfs/dbraw/zinc/67/03/07/415670307.db2.gz IFRHBCQUXJFFCV-DLBZAZTESA-N 2 2 310.438 0.979 40 0 DCABLP C[NH2+]CC(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257276616 203003819 /nfs/dbraw/zinc/00/38/19/203003819.db2.gz NUMPXZISWHCYBG-INIZCTEOSA-N 2 2 318.421 0.797 40 0 DCABLP OCC[N@@H+]1CCOC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240674 395751133 /nfs/dbraw/zinc/75/11/33/395751133.db2.gz WCVQPAPZPRKBSH-ZBFHGGJFSA-N 2 2 307.394 0.593 40 0 DCABLP OCC[N@H+]1CCOC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240674 395751134 /nfs/dbraw/zinc/75/11/34/395751134.db2.gz WCVQPAPZPRKBSH-ZBFHGGJFSA-N 2 2 307.394 0.593 40 0 DCABLP Cc1cc(N)cc([C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)[nH+]1 ZINC000257218193 396039038 /nfs/dbraw/zinc/03/90/38/396039038.db2.gz DCEXHYFDXVXDDB-OAHLLOKOSA-N 2 2 307.394 0.887 40 0 DCABLP Cc1cc(N)cc([C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)[nH+]1 ZINC000257218193 396039043 /nfs/dbraw/zinc/03/90/43/396039043.db2.gz DCEXHYFDXVXDDB-OAHLLOKOSA-N 2 2 307.394 0.887 40 0 DCABLP O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1O)c1cccs1 ZINC000077264244 396216172 /nfs/dbraw/zinc/21/61/72/396216172.db2.gz XUARAPKKDGGNDT-WZRBSPASSA-N 2 2 322.390 0.119 40 0 biogenic,in-vitro DCABLP CCS(=O)(=O)c1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000001842840 276393715 /nfs/dbraw/zinc/39/37/15/276393715.db2.gz NQZRQFQJBBBTGR-UHFFFAOYSA-N 2 2 309.395 0.666 40 0 DCABLP C(C1CC1)[N@@H+]1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096052369 395741695 /nfs/dbraw/zinc/74/16/95/395741695.db2.gz IFRHBCQUXJFFCV-SJORKVTESA-N 2 2 310.438 0.979 40 0 DCABLP C(C1CC1)[N@H+]1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096052369 395741696 /nfs/dbraw/zinc/74/16/96/395741696.db2.gz IFRHBCQUXJFFCV-SJORKVTESA-N 2 2 310.438 0.979 40 0 DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257224274 396039804 /nfs/dbraw/zinc/03/98/04/396039804.db2.gz FBBRDIAYWHTAIY-AWEZNQCLSA-N 2 2 303.410 0.939 40 0 DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257224274 396039807 /nfs/dbraw/zinc/03/98/07/396039807.db2.gz FBBRDIAYWHTAIY-AWEZNQCLSA-N 2 2 303.410 0.939 40 0 DCABLP COCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cc[nH+]c(N(C)C)n1 ZINC000096248883 395751482 /nfs/dbraw/zinc/75/14/82/395751482.db2.gz WFMLAKFRWLQOGQ-OLZOCXBDSA-N 2 2 307.398 0.078 40 0 DCABLP COCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cc[nH+]c(N(C)C)n1 ZINC000096248883 395751483 /nfs/dbraw/zinc/75/14/83/395751483.db2.gz WFMLAKFRWLQOGQ-OLZOCXBDSA-N 2 2 307.398 0.078 40 0 DCABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000257238158 396041932 /nfs/dbraw/zinc/04/19/32/396041932.db2.gz HJVDNVHLZVKUCR-KRWDZBQOSA-N 2 2 316.405 0.710 40 0 DCABLP CN(C)[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1O ZINC000585272206 396642694 /nfs/dbraw/zinc/64/26/94/396642694.db2.gz JMZLKZIFVUKYKC-IRXDYDNUSA-N 2 2 307.438 0.734 40 0 DCABLP CN(C)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1O ZINC000585272206 396642695 /nfs/dbraw/zinc/64/26/95/396642695.db2.gz JMZLKZIFVUKYKC-IRXDYDNUSA-N 2 2 307.438 0.734 40 0 DCABLP COCC[NH+]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000257339393 203060854 /nfs/dbraw/zinc/06/08/54/203060854.db2.gz ZBMOXBGQLHBODC-UHFFFAOYSA-N 2 2 316.405 0.976 40 0 DCABLP C[NH+](C)C[C@]1(O)CCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000257224202 396039664 /nfs/dbraw/zinc/03/96/64/396039664.db2.gz FASKOURNBOCGEG-MRXNPFEDSA-N 2 2 306.410 0.038 40 0 DCABLP C[NH+](C)C[C@]1(O)CCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000257224202 396039668 /nfs/dbraw/zinc/03/96/68/396039668.db2.gz FASKOURNBOCGEG-MRXNPFEDSA-N 2 2 306.410 0.038 40 0 DCABLP CC(=O)N[C@H]1CC2(CC[NH+](Cc3c[nH+]c[nH]3)CC2)OC[C@]1(C)O ZINC000257252822 396043552 /nfs/dbraw/zinc/04/35/52/396043552.db2.gz JWFLLKREYHHRLH-GJZGRUSLSA-N 2 2 322.409 0.420 40 0 DCABLP CCc1[nH]c(C[N@@H+]2CCOC[C@@](CC(N)=O)(OC)C2)c(C)[nH+]1 ZINC000585278977 396644591 /nfs/dbraw/zinc/64/45/91/396644591.db2.gz JQVFYBOCVYLFFQ-HNNXBMFYSA-N 2 2 310.398 0.373 40 0 DCABLP CCc1[nH]c(C[N@H+]2CCOC[C@@](CC(N)=O)(OC)C2)c(C)[nH+]1 ZINC000585278977 396644597 /nfs/dbraw/zinc/64/45/97/396644597.db2.gz JQVFYBOCVYLFFQ-HNNXBMFYSA-N 2 2 310.398 0.373 40 0 DCABLP CC(=O)N1CCC([NH+]2CCN3[C@@H](C2)C[N@@H+](C)CC3(C)C)CC1 ZINC000253403824 416334722 /nfs/dbraw/zinc/33/47/22/416334722.db2.gz QMLLBBFLHVDBAP-MRXNPFEDSA-N 2 2 308.470 0.708 40 0 biogenic,in-vitro DCABLP CC(=O)N1CCC([N@H+]2CCN3[C@H](C[NH+](C)CC3(C)C)C2)CC1 ZINC000253403824 416334724 /nfs/dbraw/zinc/33/47/24/416334724.db2.gz QMLLBBFLHVDBAP-MRXNPFEDSA-N 2 2 308.470 0.708 40 0 biogenic,in-vitro DCABLP CC(=O)N1CCC([N@@H+]2CCN3[C@H](C[NH+](C)CC3(C)C)C2)CC1 ZINC000253403824 416334725 /nfs/dbraw/zinc/33/47/25/416334725.db2.gz QMLLBBFLHVDBAP-MRXNPFEDSA-N 2 2 308.470 0.708 40 0 biogenic,in-vitro DCABLP CC(=O)NCC(=O)N1Cc2[nH+]ccn2C[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000096188334 277027754 /nfs/dbraw/zinc/02/77/54/277027754.db2.gz OTIILFBCXGZWIA-CQSZACIVSA-N 2 2 321.425 0.318 40 0 DCABLP CC(=O)NCC(=O)N1Cc2[nH+]ccn2C[C@@H](C[N@H+](C)C(C)C)C1 ZINC000096188334 277027755 /nfs/dbraw/zinc/02/77/55/277027755.db2.gz OTIILFBCXGZWIA-CQSZACIVSA-N 2 2 321.425 0.318 40 0 DCABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096058949 395741996 /nfs/dbraw/zinc/74/19/96/395741996.db2.gz XPWBTEZOGMBQTE-UHFFFAOYSA-N 2 2 317.441 0.910 40 0 DCABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096058949 395741998 /nfs/dbraw/zinc/74/19/98/395741998.db2.gz XPWBTEZOGMBQTE-UHFFFAOYSA-N 2 2 317.441 0.910 40 0 DCABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096058949 395742000 /nfs/dbraw/zinc/74/20/00/395742000.db2.gz XPWBTEZOGMBQTE-UHFFFAOYSA-N 2 2 317.441 0.910 40 0 DCABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096058949 395742001 /nfs/dbraw/zinc/74/20/01/395742001.db2.gz XPWBTEZOGMBQTE-UHFFFAOYSA-N 2 2 317.441 0.910 40 0 DCABLP [NH3+]CCCC(=O)N1C[C@@H](O)[C@@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257221155 396038910 /nfs/dbraw/zinc/03/89/10/396038910.db2.gz DNSTWESJVVMMEY-UONOGXRCSA-N 2 2 302.378 0.435 40 0 DCABLP C[NH+](C)CC(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378580 191141366 /nfs/dbraw/zinc/14/13/66/191141366.db2.gz XBQJDSDISMKYTN-CYBMUJFWSA-N 2 2 300.366 0.887 40 0 DCABLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000096090107 395743888 /nfs/dbraw/zinc/74/38/88/395743888.db2.gz QDNALJQIALVVRF-UHFFFAOYSA-N 2 2 319.453 0.905 40 0 DCABLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000096090107 395743889 /nfs/dbraw/zinc/74/38/89/395743889.db2.gz QDNALJQIALVVRF-UHFFFAOYSA-N 2 2 319.453 0.905 40 0 DCABLP CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c[nH+]cn2C)c1 ZINC000257254352 396044244 /nfs/dbraw/zinc/04/42/44/396044244.db2.gz KCRSPKOSVBDPML-INIZCTEOSA-N 2 2 313.405 0.926 40 0 DCABLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585291195 396648491 /nfs/dbraw/zinc/64/84/91/396648491.db2.gz MYZLZAQEOAFICQ-FLPWRXSNSA-N 2 2 320.393 0.105 40 0 DCABLP O=C([O-])CC[NH+]1CCC(N2CC[NH+](C3CC[NH2+]CC3)CC2)CC1 ZINC000022794605 304052783 /nfs/dbraw/zinc/05/27/83/304052783.db2.gz QTOYERIWVFQMET-UHFFFAOYSA-N 2 2 324.469 0.295 40 0 DCABLP O=C([O-])CC[NH+]1CCC([NH+]2CCN(C3CC[NH2+]CC3)CC2)CC1 ZINC000022794605 304052785 /nfs/dbraw/zinc/05/27/85/304052785.db2.gz QTOYERIWVFQMET-UHFFFAOYSA-N 2 2 324.469 0.295 40 0 DCABLP CCOC(=O)N1CC[NH2+]CCN(C(=O)OCC)CC[NH2+]CC1 ZINC000005822388 181287030 /nfs/dbraw/zinc/28/70/30/181287030.db2.gz SIUKZWPJXGDBKB-UHFFFAOYSA-N 2 2 316.402 0.096 40 0 DCABLP C[N@H+](CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1)Cc1cccnc1 ZINC000257336560 203058178 /nfs/dbraw/zinc/05/81/78/203058178.db2.gz YOZAMASJPMGWJH-HZPDHXFCSA-N 2 2 318.421 0.181 40 0 DCABLP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1)Cc1cccnc1 ZINC000257336560 203058181 /nfs/dbraw/zinc/05/81/81/203058181.db2.gz YOZAMASJPMGWJH-HZPDHXFCSA-N 2 2 318.421 0.181 40 0 DCABLP CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514289526 257216007 /nfs/dbraw/zinc/21/60/07/257216007.db2.gz NGMSNDAYWVZSDB-DLBZAZTESA-N 2 2 323.481 0.627 40 0 biogenic,in-vitro DCABLP CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514289526 257216008 /nfs/dbraw/zinc/21/60/08/257216008.db2.gz NGMSNDAYWVZSDB-DLBZAZTESA-N 2 2 323.481 0.627 40 0 biogenic,in-vitro DCABLP CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514289527 257216449 /nfs/dbraw/zinc/21/64/49/257216449.db2.gz NGMSNDAYWVZSDB-IAGOWNOFSA-N 2 2 323.481 0.627 40 0 biogenic,in-vitro DCABLP CC(C)C[N@H+]1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514289527 257216450 /nfs/dbraw/zinc/21/64/50/257216450.db2.gz NGMSNDAYWVZSDB-IAGOWNOFSA-N 2 2 323.481 0.627 40 0 biogenic,in-vitro DCABLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257223130 396040041 /nfs/dbraw/zinc/04/00/41/396040041.db2.gz DVZNVYPTKNRXOA-IIAWOOMASA-N 2 2 322.409 0.004 40 0 DCABLP O=C(CCCn1cc[nH+]c1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257238109 396041714 /nfs/dbraw/zinc/04/17/14/396041714.db2.gz HJQAGKLVJPZMNF-MRXNPFEDSA-N 2 2 306.410 0.723 40 0 DCABLP C[NH+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC[N@H+]2C ZINC000096230127 415576506 /nfs/dbraw/zinc/57/65/06/415576506.db2.gz GEOSMDBOLAEMJI-UHFFFAOYSA-N 2 2 322.453 0.093 40 0 DCABLP C[NH+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC[N@@H+]2C ZINC000096230127 415576515 /nfs/dbraw/zinc/57/65/15/415576515.db2.gz GEOSMDBOLAEMJI-UHFFFAOYSA-N 2 2 322.453 0.093 40 0 DCABLP C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccc1 ZINC000020465839 182220930 /nfs/dbraw/zinc/22/09/30/182220930.db2.gz MJRBJGNDMRPFDD-LTIDMASMSA-N 2 2 308.422 0.212 40 0 biogenic,in-vitro DCABLP C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@@H+](C)CCc1ccccc1 ZINC000020465839 182220931 /nfs/dbraw/zinc/22/09/31/182220931.db2.gz MJRBJGNDMRPFDD-LTIDMASMSA-N 2 2 308.422 0.212 40 0 biogenic,in-vitro DCABLP C[NH+]1CCC([NH2+]C2(Cc3cc(C(C)(C)O)on3)COC2)CC1 ZINC000067897927 396038011 /nfs/dbraw/zinc/03/80/11/396038011.db2.gz PQSSLTIJOYWHTD-UHFFFAOYSA-N 2 2 309.410 0.897 40 0 biogenic,in-vitro DCABLP CNC(=O)[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257332938 416335379 /nfs/dbraw/zinc/33/53/79/416335379.db2.gz XZJTVHNTIAYVSG-ZDUSSCGKSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+](C2CCOCC2)C1 ZINC000257332938 416335380 /nfs/dbraw/zinc/33/53/80/416335380.db2.gz XZJTVHNTIAYVSG-ZDUSSCGKSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257332938 416335381 /nfs/dbraw/zinc/33/53/81/416335381.db2.gz XZJTVHNTIAYVSG-ZDUSSCGKSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+](C2CCOCC2)C1 ZINC000257332938 416335382 /nfs/dbraw/zinc/33/53/82/416335382.db2.gz XZJTVHNTIAYVSG-ZDUSSCGKSA-N 2 2 321.425 0.069 40 0 DCABLP c1[nH+]c2n(c1CN1CCOCC1)CC[N@H+](C1CCOCC1)CC2 ZINC000096196919 395748362 /nfs/dbraw/zinc/74/83/62/395748362.db2.gz AIKNCQUZLZTROH-UHFFFAOYSA-N 2 2 320.437 0.752 40 0 DCABLP c1[nH+]c2n(c1CN1CCOCC1)CC[N@@H+](C1CCOCC1)CC2 ZINC000096196919 395748364 /nfs/dbraw/zinc/74/83/64/395748364.db2.gz AIKNCQUZLZTROH-UHFFFAOYSA-N 2 2 320.437 0.752 40 0 DCABLP CNC(=O)C[NH+]1CCC2(CCC[N@H+](Cc3c[nH]cn3)C2)CC1 ZINC000096071813 395743163 /nfs/dbraw/zinc/74/31/63/395743163.db2.gz CMFJASJOLUSJOY-UHFFFAOYSA-N 2 2 305.426 0.834 40 0 DCABLP CNC(=O)C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]cn3)C2)CC1 ZINC000096071813 395743164 /nfs/dbraw/zinc/74/31/64/395743164.db2.gz CMFJASJOLUSJOY-UHFFFAOYSA-N 2 2 305.426 0.834 40 0 DCABLP CNC(=O)C[NH+]1CCC2(CCC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000096071813 395743166 /nfs/dbraw/zinc/74/31/66/395743166.db2.gz CMFJASJOLUSJOY-UHFFFAOYSA-N 2 2 305.426 0.834 40 0 DCABLP CNC(=O)C[NH+]1CCC2(CCC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000096071813 395743167 /nfs/dbraw/zinc/74/31/67/395743167.db2.gz CMFJASJOLUSJOY-UHFFFAOYSA-N 2 2 305.426 0.834 40 0 DCABLP COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC000096246465 395751492 /nfs/dbraw/zinc/75/14/92/395751492.db2.gz UVDSWUWDHIIHLH-CVEARBPZSA-N 2 2 320.437 0.537 40 0 DCABLP COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC000096246465 395751493 /nfs/dbraw/zinc/75/14/93/395751493.db2.gz UVDSWUWDHIIHLH-CVEARBPZSA-N 2 2 320.437 0.537 40 0 DCABLP CC(C)[N@@H+]1C[C@@H]2COCCN2C2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC000604381798 397638553 /nfs/dbraw/zinc/63/85/53/397638553.db2.gz PAKWQBNLVWCDMR-MRXNPFEDSA-N 2 2 319.453 0.399 40 0 biogenic,in-vitro DCABLP CC(C)[N@H+]1C[C@@H]2COCCN2C2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC000604381798 397638554 /nfs/dbraw/zinc/63/85/54/397638554.db2.gz PAKWQBNLVWCDMR-MRXNPFEDSA-N 2 2 319.453 0.399 40 0 biogenic,in-vitro DCABLP C(C1CC1)[N@@H+]1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000107739705 415671470 /nfs/dbraw/zinc/67/14/70/415671470.db2.gz IFRHBCQUXJFFCV-IRXDYDNUSA-N 2 2 310.438 0.979 40 0 DCABLP C(C1CC1)[N@H+]1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000107739705 415671472 /nfs/dbraw/zinc/67/14/72/415671472.db2.gz IFRHBCQUXJFFCV-IRXDYDNUSA-N 2 2 310.438 0.979 40 0 DCABLP Cc1cc(N)cc([C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)[nH+]1 ZINC000257218192 416334853 /nfs/dbraw/zinc/33/48/53/416334853.db2.gz DCEXHYFDXVXDDB-HNNXBMFYSA-N 2 2 307.394 0.887 40 0 DCABLP Cc1cc(N)cc([C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)[nH+]1 ZINC000257218192 416334854 /nfs/dbraw/zinc/33/48/54/416334854.db2.gz DCEXHYFDXVXDDB-HNNXBMFYSA-N 2 2 307.394 0.887 40 0 DCABLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378775 191140596 /nfs/dbraw/zinc/14/05/96/191140596.db2.gz QBLNFYCBDVRQIV-ZDUSSCGKSA-N 2 2 300.366 0.887 40 0 DCABLP CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378775 191140599 /nfs/dbraw/zinc/14/05/99/191140599.db2.gz QBLNFYCBDVRQIV-ZDUSSCGKSA-N 2 2 300.366 0.887 40 0 DCABLP O=c1ccn(C[NH+]2CCCCC2)c(=O)n1C[NH+]1CCCCC1 ZINC000000097086 395679785 /nfs/dbraw/zinc/67/97/85/395679785.db2.gz WDIMVYNTEGFVQN-UHFFFAOYSA-N 2 2 306.410 0.897 40 0 DCABLP OCC[N@@H+]1CCOC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240676 395750967 /nfs/dbraw/zinc/75/09/67/395750967.db2.gz WCVQPAPZPRKBSH-GDBMZVCRSA-N 2 2 307.394 0.593 40 0 DCABLP OCC[N@H+]1CCOC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240676 395750969 /nfs/dbraw/zinc/75/09/69/395750969.db2.gz WCVQPAPZPRKBSH-GDBMZVCRSA-N 2 2 307.394 0.593 40 0 DCABLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000286283874 396385967 /nfs/dbraw/zinc/38/59/67/396385967.db2.gz HCTVIFIXZKQUHT-GJZGRUSLSA-N 2 2 306.410 0.985 40 0 DCABLP C[NH+](C)CCNc1nc(NC[C@H]2CCCO2)cc(C2CC2)[nH+]1 ZINC000329065110 416148486 /nfs/dbraw/zinc/14/84/86/416148486.db2.gz XPRSALBBHJVLKA-CYBMUJFWSA-N 2 2 305.426 0.762 40 0 DCABLP OC[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@H]([NH+]2CCCC2)[C@@H]1O ZINC000020465050 182220967 /nfs/dbraw/zinc/22/09/67/182220967.db2.gz DOIDVTCBOODJLE-LTIDMASMSA-N 2 2 324.396 0.500 40 0 biogenic,in-vitro DCABLP CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH+](CCO)CCO)[C@@H]2[NH2+]CCO ZINC000039738150 183021677 /nfs/dbraw/zinc/02/16/77/183021677.db2.gz ZYCSCYZDDHQTMB-KQTLUZQSSA-N 2 2 300.443 0.048 40 0 DCABLP CNc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccc2)[nH+]1 ZINC000328970296 416142208 /nfs/dbraw/zinc/14/22/08/416142208.db2.gz DIJZCOCROAJRKC-UHFFFAOYSA-N 2 2 313.405 0.773 40 0 DCABLP Cc1cc(C(=O)NCc2[nH]cc[nH+]2)nc(C2CC[NH2+]CC2)n1 ZINC000072365703 191136083 /nfs/dbraw/zinc/13/60/83/191136083.db2.gz CPBFRHREGKWBCM-UHFFFAOYSA-N 2 2 300.366 0.905 40 0 DCABLP CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000020465970 182221098 /nfs/dbraw/zinc/22/10/98/182221098.db2.gz FSXVWNJYXZBZSH-YYIAUSFCSA-N 2 2 308.422 0.606 40 0 biogenic,in-vitro DCABLP CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000020465970 182221099 /nfs/dbraw/zinc/22/10/99/182221099.db2.gz FSXVWNJYXZBZSH-YYIAUSFCSA-N 2 2 308.422 0.606 40 0 biogenic,in-vitro DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257224275 396040233 /nfs/dbraw/zinc/04/02/33/396040233.db2.gz FBBRDIAYWHTAIY-CQSZACIVSA-N 2 2 303.410 0.939 40 0 DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257224275 396040236 /nfs/dbraw/zinc/04/02/36/396040236.db2.gz FBBRDIAYWHTAIY-CQSZACIVSA-N 2 2 303.410 0.939 40 0 DCABLP Cc1cc2[nH]c(CCNC(=O)[C@H]3C[NH2+]CCO3)[nH+]c2cc1C ZINC000257243549 416335019 /nfs/dbraw/zinc/33/50/19/416335019.db2.gz IHMSEMSODVVPRJ-CQSZACIVSA-N 2 2 302.378 0.827 40 0 DCABLP C[NH+](C)CCN1CCOC[C@]2(C[N@H+](Cc3ccco3)CCO2)C1 ZINC000096049769 395741527 /nfs/dbraw/zinc/74/15/27/395741527.db2.gz IFYZKKREKIFVBZ-QGZVFWFLSA-N 2 2 323.437 0.744 40 0 DCABLP C[NH+](C)CCN1CCOC[C@]2(C[N@@H+](Cc3ccco3)CCO2)C1 ZINC000096049769 395741529 /nfs/dbraw/zinc/74/15/29/395741529.db2.gz IFYZKKREKIFVBZ-QGZVFWFLSA-N 2 2 323.437 0.744 40 0 DCABLP Cn1cc[nH+]c1CNC(=O)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257237853 396041709 /nfs/dbraw/zinc/04/17/09/396041709.db2.gz HIMOAPSOFVEEGI-CQSZACIVSA-N 2 2 317.368 0.654 40 0 DCABLP COc1ccc([C@@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)cc1 ZINC000095533701 257137412 /nfs/dbraw/zinc/13/74/12/257137412.db2.gz PGJYGSIECMJSKS-OAHLLOKOSA-N 2 2 317.393 0.736 40 0 DCABLP CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000096112950 395744965 /nfs/dbraw/zinc/74/49/65/395744965.db2.gz BHXWCEAKLINGOK-LSDHHAIUSA-N 2 2 324.469 0.386 40 0 biogenic,in-vitro DCABLP CNC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000096112950 395744967 /nfs/dbraw/zinc/74/49/67/395744967.db2.gz BHXWCEAKLINGOK-LSDHHAIUSA-N 2 2 324.469 0.386 40 0 biogenic,in-vitro DCABLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257202369 396036169 /nfs/dbraw/zinc/03/61/69/396036169.db2.gz ALLNUWWLWJNNEN-IIAWOOMASA-N 2 2 306.410 0.719 40 0 DCABLP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000257224201 396040018 /nfs/dbraw/zinc/04/00/18/396040018.db2.gz FASKOURNBOCGEG-INIZCTEOSA-N 2 2 306.410 0.038 40 0 DCABLP C[NH+](C)C[C@@]1(O)CCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000257224201 396040023 /nfs/dbraw/zinc/04/00/23/396040023.db2.gz FASKOURNBOCGEG-INIZCTEOSA-N 2 2 306.410 0.038 40 0 DCABLP CNC(=O)[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+](C2CCOCC2)C1 ZINC000257224596 396040079 /nfs/dbraw/zinc/04/00/79/396040079.db2.gz FCMJRBOQCBVAMG-CYBMUJFWSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+](C2CCOCC2)C1 ZINC000257224596 396040081 /nfs/dbraw/zinc/04/00/81/396040081.db2.gz FCMJRBOQCBVAMG-CYBMUJFWSA-N 2 2 321.425 0.069 40 0 DCABLP CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c[nH+]cn2C)c1 ZINC000257254353 396044766 /nfs/dbraw/zinc/04/47/66/396044766.db2.gz KCRSPKOSVBDPML-MRXNPFEDSA-N 2 2 313.405 0.926 40 0 DCABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cccs1 ZINC000952844772 768908452 /nfs/dbraw/zinc/90/84/52/768908452.db2.gz IDUKSPLZDXRYDI-XGFWRYKXSA-N 2 2 307.375 0.760 40 0 biogenic,in-vitro DCABLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096049461 395740767 /nfs/dbraw/zinc/74/07/67/395740767.db2.gz HHIFVIXGAURVJK-KRWDZBQOSA-N 2 2 322.453 0.981 40 0 DCABLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cnn(C)c3)C2)C1 ZINC000096049461 395740769 /nfs/dbraw/zinc/74/07/69/395740769.db2.gz HHIFVIXGAURVJK-KRWDZBQOSA-N 2 2 322.453 0.981 40 0 DCABLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1 ZINC000096049461 395740771 /nfs/dbraw/zinc/74/07/71/395740771.db2.gz HHIFVIXGAURVJK-KRWDZBQOSA-N 2 2 322.453 0.981 40 0 DCABLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cnn(C)c3)C2)C1 ZINC000096049461 395740773 /nfs/dbraw/zinc/74/07/73/395740773.db2.gz HHIFVIXGAURVJK-KRWDZBQOSA-N 2 2 322.453 0.981 40 0 DCABLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585291979 396648508 /nfs/dbraw/zinc/64/85/08/396648508.db2.gz UPPPUGBXJGDCHG-FWMLFFPKSA-N 2 2 320.393 0.153 40 0 DCABLP C[NH+](C)CCN1CCOC[C@]2(C[N@H+](Cc3ccoc3)CCO2)C1 ZINC000096049773 415577318 /nfs/dbraw/zinc/57/73/18/415577318.db2.gz JIUNUQRVJMOAQR-QGZVFWFLSA-N 2 2 323.437 0.744 40 0 DCABLP C[NH+](C)CCN1CCOC[C@]2(C[N@@H+](Cc3ccoc3)CCO2)C1 ZINC000096049773 415577325 /nfs/dbraw/zinc/57/73/25/415577325.db2.gz JIUNUQRVJMOAQR-QGZVFWFLSA-N 2 2 323.437 0.744 40 0 DCABLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099302 396639120 /nfs/dbraw/zinc/63/91/20/396639120.db2.gz CJKITWWINVVPPH-MRXNPFEDSA-N 2 2 312.377 0.839 40 0 DCABLP Cn1c[nH+]cc1C[N@H+]1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099302 396639121 /nfs/dbraw/zinc/63/91/21/396639121.db2.gz CJKITWWINVVPPH-MRXNPFEDSA-N 2 2 312.377 0.839 40 0 DCABLP NC(=O)C[N@@H+]1CCCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000257315791 303250630 /nfs/dbraw/zinc/25/06/30/303250630.db2.gz VCTJEEDVKTUITC-UONOGXRCSA-N 2 2 319.409 0.071 40 0 DCABLP NC(=O)C[N@H+]1CCCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000257315791 303250633 /nfs/dbraw/zinc/25/06/33/303250633.db2.gz VCTJEEDVKTUITC-UONOGXRCSA-N 2 2 319.409 0.071 40 0 DCABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096197052 395748441 /nfs/dbraw/zinc/74/84/41/395748441.db2.gz UFFZPWUNZOFRKT-AWEZNQCLSA-N 2 2 318.421 0.946 40 0 DCABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096197052 395748443 /nfs/dbraw/zinc/74/84/43/395748443.db2.gz UFFZPWUNZOFRKT-AWEZNQCLSA-N 2 2 318.421 0.946 40 0 DCABLP C[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC000096108162 395745262 /nfs/dbraw/zinc/74/52/62/395745262.db2.gz JFECZNQQUCVKQV-DZGCQCFKSA-N 2 2 307.394 0.500 40 0 DCABLP C[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC000096108162 395745263 /nfs/dbraw/zinc/74/52/63/395745263.db2.gz JFECZNQQUCVKQV-DZGCQCFKSA-N 2 2 307.394 0.500 40 0 DCABLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257266622 396044906 /nfs/dbraw/zinc/04/49/06/396044906.db2.gz MDTGOIMSFGCYSB-CYBMUJFWSA-N 2 2 303.341 0.643 40 0 DCABLP Cn1nc2ccc3[nH+]ccc(N4CC[NH+](CCO)CC4)c3c2n1 ZINC000031860735 415186338 /nfs/dbraw/zinc/18/63/38/415186338.db2.gz SXEIORDNONATMH-UHFFFAOYSA-N 2 2 312.377 0.631 40 0 DCABLP CN(C)C(=O)C[NH+]1CCC(c2nccnc2C[NH+](C)C)CC1 ZINC000257289893 203016202 /nfs/dbraw/zinc/01/62/02/203016202.db2.gz QAQDTNCVNLUHLP-UHFFFAOYSA-N 2 2 305.426 0.806 40 0 DCABLP CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1 ZINC000056640544 184016814 /nfs/dbraw/zinc/01/68/14/184016814.db2.gz WKJVNPPJNRDXPT-MELADBBJSA-N 2 2 301.456 0.342 40 0 biogenic,in-vitro DCABLP CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1 ZINC000056640544 184016815 /nfs/dbraw/zinc/01/68/15/184016815.db2.gz WKJVNPPJNRDXPT-MELADBBJSA-N 2 2 301.456 0.342 40 0 biogenic,in-vitro DCABLP CC1CC[NH+](C[C@@H]2OC[C@H]([NH2+]Cc3nccn3C)[C@H]2O)CC1 ZINC000514289717 257215590 /nfs/dbraw/zinc/21/55/90/257215590.db2.gz ZGZPPCIINXRKFY-OFQRWUPVSA-N 2 2 308.426 0.370 40 0 biogenic,in-vitro DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369288 191139787 /nfs/dbraw/zinc/13/97/87/191139787.db2.gz UNWZJXZAUXSEJC-CQSZACIVSA-N 2 2 317.437 0.982 40 0 DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072369288 191139789 /nfs/dbraw/zinc/13/97/89/191139789.db2.gz UNWZJXZAUXSEJC-CQSZACIVSA-N 2 2 317.437 0.982 40 0 DCABLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378774 191141170 /nfs/dbraw/zinc/14/11/70/191141170.db2.gz QBLNFYCBDVRQIV-CYBMUJFWSA-N 2 2 300.366 0.887 40 0 DCABLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378774 191141171 /nfs/dbraw/zinc/14/11/71/191141171.db2.gz QBLNFYCBDVRQIV-CYBMUJFWSA-N 2 2 300.366 0.887 40 0 DCABLP Cc1ccc2c([nH+]1)N(C)[C@H](CO)CCN(C(=O)C[NH+](C)C)C2 ZINC000225495359 257214968 /nfs/dbraw/zinc/21/49/68/257214968.db2.gz PPFFMVZPNUJYDX-AWEZNQCLSA-N 2 2 306.410 0.481 40 0 biogenic,in-vitro DCABLP COC1CC[NH+]([C@H]2[C@H]([NH3+])C[C@@H](Oc3cccnc3)[C@@H]2O)CC1 ZINC000257316261 203040597 /nfs/dbraw/zinc/04/05/97/203040597.db2.gz VEVSNRDUNWCVLG-WCVJEAGWSA-N 2 2 307.394 0.400 40 0 DCABLP Nc1cc(CC[C@H]2C[N@H+](CC(=O)N3CCCC3)CCO2)cc[nH+]1 ZINC000257320825 203044865 /nfs/dbraw/zinc/04/48/65/203044865.db2.gz VYUGYZITUZWGJC-HNNXBMFYSA-N 2 2 318.421 0.920 40 0 DCABLP Nc1cc(CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)CCO2)cc[nH+]1 ZINC000257320825 203044867 /nfs/dbraw/zinc/04/48/67/203044867.db2.gz VYUGYZITUZWGJC-HNNXBMFYSA-N 2 2 318.421 0.920 40 0 DCABLP C[NH+](C)CCNC(=O)[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2[N@@H+]1C ZINC000096063696 395742751 /nfs/dbraw/zinc/74/27/51/395742751.db2.gz UXYKIPCDHQJOIJ-BMFZPTHFSA-N 2 2 320.437 0.462 40 0 DCABLP C[NH+](C)CCNC(=O)[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2[N@H+]1C ZINC000096063696 395742752 /nfs/dbraw/zinc/74/27/52/395742752.db2.gz UXYKIPCDHQJOIJ-BMFZPTHFSA-N 2 2 320.437 0.462 40 0 DCABLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nn1 ZINC000332156129 415271623 /nfs/dbraw/zinc/27/16/23/415271623.db2.gz RLVWGWLJYKTBEF-UHFFFAOYSA-N 2 2 315.425 1.353 40 0 DCABLP Cc1noc(C)c1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc[nH+]c2)[C@H]1O ZINC000952844908 768909855 /nfs/dbraw/zinc/90/98/55/768909855.db2.gz SCTOARNPLMCIHW-ARILJUKYSA-N 2 2 320.349 0.303 40 0 biogenic,in-vitro DCABLP O[C@H]1[C@H](C[NH+]2CCOCC2)OC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000514289722 257216405 /nfs/dbraw/zinc/21/64/05/257216405.db2.gz ZLEPPDDTGPHNIV-HRCADAONSA-N 2 2 310.369 0.376 40 0 biogenic,in-vitro DCABLP CC(C)([NH3+])C(=O)N1CCC[C@@]2(Cc3c([nH+]c(N)nc3N)O2)CC1 ZINC000257299175 203023133 /nfs/dbraw/zinc/02/31/33/203023133.db2.gz RPAHIXLXPYLHOR-HNNXBMFYSA-N 2 2 320.397 0.065 40 0 DCABLP CC(C)([NH3+])C(=O)N1CCC[C@@]2(Cc3c(nc(N)[nH+]c3N)O2)CC1 ZINC000257299175 203023135 /nfs/dbraw/zinc/02/31/35/203023135.db2.gz RPAHIXLXPYLHOR-HNNXBMFYSA-N 2 2 320.397 0.065 40 0 DCABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096197051 395748508 /nfs/dbraw/zinc/74/85/08/395748508.db2.gz UFFZPWUNZOFRKT-CQSZACIVSA-N 2 2 318.421 0.946 40 0 DCABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096197051 395748509 /nfs/dbraw/zinc/74/85/09/395748509.db2.gz UFFZPWUNZOFRKT-CQSZACIVSA-N 2 2 318.421 0.946 40 0 DCABLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099301 396639339 /nfs/dbraw/zinc/63/93/39/396639339.db2.gz CJKITWWINVVPPH-INIZCTEOSA-N 2 2 312.377 0.839 40 0 DCABLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099301 396639342 /nfs/dbraw/zinc/63/93/42/396639342.db2.gz CJKITWWINVVPPH-INIZCTEOSA-N 2 2 312.377 0.839 40 0 DCABLP C[NH+]1CCC([N@@H+]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)CC1 ZINC000257331035 416335364 /nfs/dbraw/zinc/33/53/64/416335364.db2.gz XRDGZHWHRYQFQM-CZUORRHYSA-N 2 2 322.409 0.041 40 0 DCABLP C[NH+]1CCC([N@H+]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)CC1 ZINC000257331035 416335365 /nfs/dbraw/zinc/33/53/65/416335365.db2.gz XRDGZHWHRYQFQM-CZUORRHYSA-N 2 2 322.409 0.041 40 0 DCABLP C[NH+]1CCN(C(=O)c2cncc([C@@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000257275276 203004639 /nfs/dbraw/zinc/00/46/39/203004639.db2.gz NOQVLLCMVZPAJR-CYBMUJFWSA-N 2 2 303.410 0.673 40 0 DCABLP C[NH+]1CCN(C(=O)c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000257275276 203004642 /nfs/dbraw/zinc/00/46/42/203004642.db2.gz NOQVLLCMVZPAJR-CYBMUJFWSA-N 2 2 303.410 0.673 40 0 DCABLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257316304 203040414 /nfs/dbraw/zinc/04/04/14/203040414.db2.gz VEZNSNRKODOMLN-IIAWOOMASA-N 2 2 306.410 0.767 40 0 DCABLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257323364 203047670 /nfs/dbraw/zinc/04/76/70/203047670.db2.gz WJWCKJWIZNDZFV-MRXNPFEDSA-N 2 2 315.377 0.426 40 0 DCABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCOCC1 ZINC000020503804 395691261 /nfs/dbraw/zinc/69/12/61/395691261.db2.gz KDWLKWSRYJUPEM-HRCADAONSA-N 2 2 324.469 0.737 40 0 biogenic,in-vitro DCABLP C[NH2+]CC(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257276617 203003937 /nfs/dbraw/zinc/00/39/37/203003937.db2.gz NUMPXZISWHCYBG-MRXNPFEDSA-N 2 2 318.421 0.797 40 0 DCABLP C[NH2+][C@H]1CC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)OC[C@]1(C)O ZINC000257214578 396039261 /nfs/dbraw/zinc/03/92/61/396039261.db2.gz CMNFZXPQJHKGNV-ZFWWWQNUSA-N 2 2 322.409 0.004 40 0 DCABLP Cc1[nH+]c[nH]c1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257268699 396046112 /nfs/dbraw/zinc/04/61/12/396046112.db2.gz MMVBNGULIUZJCH-CYBMUJFWSA-N 2 2 321.425 0.116 40 0 DCABLP Cc1[nH+]c[nH]c1CN1CC[N@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257268699 396046114 /nfs/dbraw/zinc/04/61/14/396046114.db2.gz MMVBNGULIUZJCH-CYBMUJFWSA-N 2 2 321.425 0.116 40 0 DCABLP C(C1CC1)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096052370 395741309 /nfs/dbraw/zinc/74/13/09/395741309.db2.gz IFRHBCQUXJFFCV-IAGOWNOFSA-N 2 2 310.438 0.979 40 0 DCABLP C(C1CC1)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000096052370 395741311 /nfs/dbraw/zinc/74/13/11/395741311.db2.gz IFRHBCQUXJFFCV-IAGOWNOFSA-N 2 2 310.438 0.979 40 0 DCABLP O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1O)c1ccccc1 ZINC000077264350 396216678 /nfs/dbraw/zinc/21/66/78/396216678.db2.gz MRXYSCGXEMPLAQ-KFWWJZLASA-N 2 2 316.361 0.058 40 0 biogenic,in-vitro DCABLP C[NH+]1CCN(P(=O)(c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000001737543 290048457 /nfs/dbraw/zinc/04/84/57/290048457.db2.gz FMLFMNQLMWWKRU-UHFFFAOYSA-N 2 2 322.393 1.000 40 0 DCABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCCC1 ZINC000012602445 522763862 /nfs/dbraw/zinc/76/38/62/522763862.db2.gz GJEJFFGUQWRZLK-HRCADAONSA-N 2 2 309.454 0.945 40 0 biogenic,in-vitro DCABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCCC1 ZINC000012602445 522763871 /nfs/dbraw/zinc/76/38/71/522763871.db2.gz GJEJFFGUQWRZLK-HRCADAONSA-N 2 2 309.454 0.945 40 0 biogenic,in-vitro DCABLP CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350642 191127870 /nfs/dbraw/zinc/12/78/70/191127870.db2.gz UKPJEHMGDGLEJK-ZDUSSCGKSA-N 2 2 314.393 0.930 40 0 DCABLP CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350642 191127873 /nfs/dbraw/zinc/12/78/73/191127873.db2.gz UKPJEHMGDGLEJK-ZDUSSCGKSA-N 2 2 314.393 0.930 40 0 DCABLP Nc1cc(CC[C@@H]2C[N@H+](CC(=O)N3CCCC3)CCO2)cc[nH+]1 ZINC000257320826 203046321 /nfs/dbraw/zinc/04/63/21/203046321.db2.gz VYUGYZITUZWGJC-OAHLLOKOSA-N 2 2 318.421 0.920 40 0 DCABLP Nc1cc(CC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CCO2)cc[nH+]1 ZINC000257320826 203046325 /nfs/dbraw/zinc/04/63/25/203046325.db2.gz VYUGYZITUZWGJC-OAHLLOKOSA-N 2 2 318.421 0.920 40 0 DCABLP c1nc(C[NH+]2CCC3(C[C@@H]([NH+]4CCOCC4)CO3)CC2)c[nH]1 ZINC000096074147 395743331 /nfs/dbraw/zinc/74/33/31/395743331.db2.gz XXESZDRZPBSXLL-OAHLLOKOSA-N 2 2 306.410 0.865 40 0 DCABLP Cc1cc2ncc(C[NH+](C)C)c([C@@H]3C[N@H+](CCO)CCO3)n2n1 ZINC000257208973 396037687 /nfs/dbraw/zinc/03/76/87/396037687.db2.gz BOIWFIWFVOQUOI-AWEZNQCLSA-N 2 2 319.409 0.465 40 0 DCABLP Cc1cc2ncc(C[NH+](C)C)c([C@@H]3C[N@@H+](CCO)CCO3)n2n1 ZINC000257208973 396037690 /nfs/dbraw/zinc/03/76/90/396037690.db2.gz BOIWFIWFVOQUOI-AWEZNQCLSA-N 2 2 319.409 0.465 40 0 DCABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000257238159 396041761 /nfs/dbraw/zinc/04/17/61/396041761.db2.gz HJVDNVHLZVKUCR-QGZVFWFLSA-N 2 2 316.405 0.710 40 0 DCABLP C[NH+](C)[C@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000569985084 396934315 /nfs/dbraw/zinc/93/43/15/396934315.db2.gz HPBRUVXLXYMGSV-ROUUACIJSA-N 2 2 319.449 0.626 40 0 DCABLP C[NH+]1CCC([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000257260761 416334933 /nfs/dbraw/zinc/33/49/33/416334933.db2.gz LEFUKUCXYPEWOH-DGCLKSJQSA-N 2 2 310.423 0.012 40 0 DCABLP Cc1nc2c(c(NCCC[NH+]3CCOCC3)n1)C[N@H+](C)CC2 ZINC000019286265 182112629 /nfs/dbraw/zinc/11/26/29/182112629.db2.gz KKIUCKGFNKFILT-UHFFFAOYSA-N 2 2 305.426 0.907 40 0 DCABLP Cc1nc2c(c(NCCC[NH+]3CCOCC3)n1)C[N@@H+](C)CC2 ZINC000019286265 182112630 /nfs/dbraw/zinc/11/26/30/182112630.db2.gz KKIUCKGFNKFILT-UHFFFAOYSA-N 2 2 305.426 0.907 40 0 DCABLP COc1cccc([C@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)c1 ZINC000095533558 257137785 /nfs/dbraw/zinc/13/77/85/257137785.db2.gz LIRGXZHBHXCATL-HNNXBMFYSA-N 2 2 317.393 0.736 40 0 DCABLP Cn1cc(C[N@@H+]2CCn3c(COCC[NH+](C)C)nnc3C2)cn1 ZINC000096259016 395751864 /nfs/dbraw/zinc/75/18/64/395751864.db2.gz NRQUEKVYYPMIRS-UHFFFAOYSA-N 2 2 319.413 0.106 40 0 DCABLP Cn1cc(C[N@H+]2CCn3c(COCC[NH+](C)C)nnc3C2)cn1 ZINC000096259016 395751865 /nfs/dbraw/zinc/75/18/65/395751865.db2.gz NRQUEKVYYPMIRS-UHFFFAOYSA-N 2 2 319.413 0.106 40 0 DCABLP Cn1c[nH+]cc1C[NH+]1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108525167 395789998 /nfs/dbraw/zinc/78/99/98/395789998.db2.gz NXTLXLQLJQGEQH-UHFFFAOYSA-N 2 2 312.439 0.714 40 0 DCABLP Cc1[nH]c(C[N@H+]2C[C@H](C(=O)N3CCCC3)[C@H]3OCC[C@H]32)c[nH+]1 ZINC000108525904 395789786 /nfs/dbraw/zinc/78/97/86/395789786.db2.gz WQVGXCUMTAKIDG-RRFJBIMHSA-N 2 2 304.394 0.930 40 0 DCABLP COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000017052695 182071691 /nfs/dbraw/zinc/07/16/91/182071691.db2.gz BTNCFGDKDXJXMS-AWEZNQCLSA-N 2 2 314.345 0.883 40 0 DCABLP COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000017052695 182071693 /nfs/dbraw/zinc/07/16/93/182071693.db2.gz BTNCFGDKDXJXMS-AWEZNQCLSA-N 2 2 314.345 0.883 40 0 DCABLP CN(C)c1cc(NC[C@@H]2CC[C@]3(C[NH2+]CCOC3)O2)[nH+]cn1 ZINC000096160690 395746683 /nfs/dbraw/zinc/74/66/83/395746683.db2.gz OBCPOJDJEPOULR-SWLSCSKDSA-N 2 2 307.398 0.492 40 0 DCABLP CN(C)c1cc(NC[C@@H]2CC[C@]3(C[NH2+]CCOC3)O2)nc[nH+]1 ZINC000096160690 395746685 /nfs/dbraw/zinc/74/66/85/395746685.db2.gz OBCPOJDJEPOULR-SWLSCSKDSA-N 2 2 307.398 0.492 40 0 DCABLP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096183648 395747132 /nfs/dbraw/zinc/74/71/32/395747132.db2.gz RWBGTMWMLAFQCW-RWMBFGLXSA-N 2 2 324.450 0.553 40 0 DCABLP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096183648 395747133 /nfs/dbraw/zinc/74/71/33/395747133.db2.gz RWBGTMWMLAFQCW-RWMBFGLXSA-N 2 2 324.450 0.553 40 0 DCABLP CN(C)C(=O)C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196873 395748493 /nfs/dbraw/zinc/74/84/93/395748493.db2.gz VUXWRLGNLPBHTO-UHFFFAOYSA-N 2 2 305.426 0.425 40 0 DCABLP CN(C)C(=O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196873 395748494 /nfs/dbraw/zinc/74/84/94/395748494.db2.gz VUXWRLGNLPBHTO-UHFFFAOYSA-N 2 2 305.426 0.425 40 0 DCABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)O2)CC1 ZINC000096057511 395742104 /nfs/dbraw/zinc/74/21/04/395742104.db2.gz GKUUZUXIAGBEDR-BZUAXINKSA-N 2 2 307.438 0.792 40 0 DCABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC3)O2)CC1 ZINC000096057511 395742105 /nfs/dbraw/zinc/74/21/05/395742105.db2.gz GKUUZUXIAGBEDR-BZUAXINKSA-N 2 2 307.438 0.792 40 0 DCABLP [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257220310 396039252 /nfs/dbraw/zinc/03/92/52/396039252.db2.gz DKIPOYMZRRHGDJ-WCVJEAGWSA-N 2 2 310.369 0.490 40 0 DCABLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257323363 203046990 /nfs/dbraw/zinc/04/69/90/203046990.db2.gz WJWCKJWIZNDZFV-INIZCTEOSA-N 2 2 315.377 0.426 40 0 DCABLP [NH3+][C@H](Cc1ccccc1)c1nnc(CC[NH+]2CCOCC2)[nH]1 ZINC000095534875 257136530 /nfs/dbraw/zinc/13/65/30/257136530.db2.gz FVCUBPHMKFMURA-CQSZACIVSA-N 2 2 301.394 0.922 40 0 DCABLP CNc1nc(NCC[NH+]2CCOCC2)cc(-c2ccncc2)[nH+]1 ZINC000329050069 416146036 /nfs/dbraw/zinc/14/60/36/416146036.db2.gz USPQFDFOYPKFHU-UHFFFAOYSA-N 2 2 314.393 0.168 40 0 DCABLP Cc1[nH]c(C[N@@H+]2C[C@H](C(=O)N3CCCCO3)[C@H]3OCC[C@H]32)c[nH+]1 ZINC000108524674 293269848 /nfs/dbraw/zinc/26/98/48/293269848.db2.gz ATWDPEMEVYMUJD-RRFJBIMHSA-N 2 2 320.393 0.861 40 0 DCABLP Cc1[nH]c(C[N@H+]2C[C@H](C(=O)N3CCCCO3)[C@H]3OCC[C@H]32)c[nH+]1 ZINC000108524674 293269849 /nfs/dbraw/zinc/26/98/49/293269849.db2.gz ATWDPEMEVYMUJD-RRFJBIMHSA-N 2 2 320.393 0.861 40 0 DCABLP CC(C)Nc1nc(NCC[NH+]2CCOCC2)cc(C2CC2)[nH+]1 ZINC000328961413 257231238 /nfs/dbraw/zinc/23/12/38/257231238.db2.gz BCFMJQNZJUHGIS-UHFFFAOYSA-N 2 2 305.426 0.762 40 0 DCABLP O=C(CCCn1cc[nH+]c1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257238108 396041611 /nfs/dbraw/zinc/04/16/11/396041611.db2.gz HJQAGKLVJPZMNF-INIZCTEOSA-N 2 2 306.410 0.723 40 0 DCABLP CN(C(=O)C[NH+]1CCCCC1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257270938 416335044 /nfs/dbraw/zinc/33/50/44/416335044.db2.gz MWGHMLOPEJMOFD-IIAWOOMASA-N 2 2 306.410 0.892 40 0 DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072369289 191139056 /nfs/dbraw/zinc/13/90/56/191139056.db2.gz UNWZJXZAUXSEJC-AWEZNQCLSA-N 2 2 317.437 0.982 40 0 DCABLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072369289 191139058 /nfs/dbraw/zinc/13/90/58/191139058.db2.gz UNWZJXZAUXSEJC-AWEZNQCLSA-N 2 2 317.437 0.982 40 0 DCABLP COCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000298151386 532960007 /nfs/dbraw/zinc/96/00/07/532960007.db2.gz ABKLWWCIWRIJMK-UHFFFAOYSA-N 2 2 315.377 0.672 40 0 DCABLP [NH3+][C@H](c1nnc(CC[NH+]2CCOCC2)[nH]1)c1ccc(F)cc1 ZINC000095533292 257137424 /nfs/dbraw/zinc/13/74/24/257137424.db2.gz VXSATISJRGSSNU-AWEZNQCLSA-N 2 2 305.357 0.867 40 0 DCABLP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)N1CC[NH+]1CCOCC1 ZINC000096056568 395742016 /nfs/dbraw/zinc/74/20/16/395742016.db2.gz BRJAGEDFFJZFQX-HZPDHXFCSA-N 2 2 307.438 0.794 40 0 DCABLP O=C1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)N1CC[NH+]1CCOCC1 ZINC000096056568 395742017 /nfs/dbraw/zinc/74/20/17/395742017.db2.gz BRJAGEDFFJZFQX-HZPDHXFCSA-N 2 2 307.438 0.794 40 0 DCABLP OCC[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240675 395751085 /nfs/dbraw/zinc/75/10/85/395751085.db2.gz WCVQPAPZPRKBSH-GOEBONIOSA-N 2 2 307.394 0.593 40 0 DCABLP OCC[N@H+]1CCOC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240675 395751086 /nfs/dbraw/zinc/75/10/86/395751086.db2.gz WCVQPAPZPRKBSH-GOEBONIOSA-N 2 2 307.394 0.593 40 0 DCABLP Cn1cc[nH+]c1CNC(=O)[C@H]1CN(c2cc[nH+]cc2)CCO1 ZINC000072366509 191135755 /nfs/dbraw/zinc/13/57/55/191135755.db2.gz IRZXFFROEQJNNM-CYBMUJFWSA-N 2 2 301.350 0.337 40 0 DCABLP NC(=[NH2+])SCC[NH+](CCSC(N)=[NH2+])CCSC(N)=[NH2+] ZINC000031554209 395707226 /nfs/dbraw/zinc/70/72/26/395707226.db2.gz GGDUORJVTMUGNU-UHFFFAOYSA-N 4 2 323.517 0.168 40 0 DCABLP CN(C)c1cc(NC[C@H]2CC[C@@]3(C[NH2+]CCOC3)O2)[nH+]cn1 ZINC000096160695 395746890 /nfs/dbraw/zinc/74/68/90/395746890.db2.gz OBCPOJDJEPOULR-DOMZBBRYSA-N 2 2 307.398 0.492 40 0 DCABLP CN(C)c1cc(NC[C@H]2CC[C@@]3(C[NH2+]CCOC3)O2)nc[nH+]1 ZINC000096160695 395746892 /nfs/dbraw/zinc/74/68/92/395746892.db2.gz OBCPOJDJEPOULR-DOMZBBRYSA-N 2 2 307.398 0.492 40 0 DCABLP C[NH+]1CCC([N@@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000257240619 396042544 /nfs/dbraw/zinc/04/25/44/396042544.db2.gz HUIOAMYLPRYTTP-HOTGVXAUSA-N 2 2 323.437 0.171 40 0 DCABLP C[NH+]1CCC([N@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000257240619 396042545 /nfs/dbraw/zinc/04/25/45/396042545.db2.gz HUIOAMYLPRYTTP-HOTGVXAUSA-N 2 2 323.437 0.171 40 0 DCABLP C[NH+](C)CC(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378581 191140712 /nfs/dbraw/zinc/14/07/12/191140712.db2.gz XBQJDSDISMKYTN-ZDUSSCGKSA-N 2 2 300.366 0.887 40 0 DCABLP CC[NH+]1CCC([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000257300678 203026128 /nfs/dbraw/zinc/02/61/28/203026128.db2.gz RVGXRNWMDRZCKM-TZMCWYRMSA-N 2 2 324.450 0.402 40 0 DCABLP CC[NH+]1CCC([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1 ZINC000257300678 203026131 /nfs/dbraw/zinc/02/61/31/203026131.db2.gz RVGXRNWMDRZCKM-TZMCWYRMSA-N 2 2 324.450 0.402 40 0 DCABLP CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000020465255 182220799 /nfs/dbraw/zinc/22/07/99/182220799.db2.gz SVLFYSPSFFLISH-VSZNYVQBSA-N 2 2 320.433 0.532 40 0 biogenic,in-vitro DCABLP CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000020465255 182220800 /nfs/dbraw/zinc/22/08/00/182220800.db2.gz SVLFYSPSFFLISH-VSZNYVQBSA-N 2 2 320.433 0.532 40 0 biogenic,in-vitro DCABLP O[C@H]1[C@H](C[NH+]2CCOCC2)OC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000514288587 257215929 /nfs/dbraw/zinc/21/59/29/257215929.db2.gz INCATQQCKTUTSA-MELADBBJSA-N 2 2 320.380 0.614 40 0 biogenic,in-vitro DCABLP CN1CC[NH+]([C@H]2COC3(C2)CC[NH+](Cc2cc[nH]n2)CC3)CC1 ZINC000096074164 395743518 /nfs/dbraw/zinc/74/35/18/395743518.db2.gz XEQFOUCEDIBZQA-MRXNPFEDSA-N 2 2 319.453 0.781 40 0 DCABLP C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](Cc2cc[nH]n2)CC3)CC1 ZINC000096074164 395743520 /nfs/dbraw/zinc/74/35/20/395743520.db2.gz XEQFOUCEDIBZQA-MRXNPFEDSA-N 2 2 319.453 0.781 40 0 DCABLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257343327 203063916 /nfs/dbraw/zinc/06/39/16/203063916.db2.gz ZSLBMISWQXNLEP-IIAWOOMASA-N 2 2 306.410 0.767 40 0 DCABLP CCn1cc(-c2c[nH+]cn2CC[NH2+][C@@H]2CCS(=O)(=O)C2)cn1 ZINC000019719595 182138313 /nfs/dbraw/zinc/13/83/13/182138313.db2.gz LRGNQHRZDWILTF-CYBMUJFWSA-N 2 2 323.422 0.543 40 0 DCABLP [NH3+][C@@H](Cc1ccccc1)c1nnc(CC[NH+]2CCOCC2)[nH]1 ZINC000095534874 257136716 /nfs/dbraw/zinc/13/67/16/257136716.db2.gz FVCUBPHMKFMURA-AWEZNQCLSA-N 2 2 301.394 0.922 40 0 DCABLP