smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cc1cnccn1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000217207840 206362429 /nfs/dbraw/zinc/36/24/29/206362429.db2.gz XZDLSTQQXXBJTL-QFIPXVFZSA-N 1 1 364.493 2.924 50 70 FFIAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1noc(-c2ccccc2)n1 ZINC000217514223 206363883 /nfs/dbraw/zinc/36/38/83/206363883.db2.gz TZVBFRIJAGJMNC-CQSZACIVSA-N 1 1 353.426 2.976 50 70 FFIAMO COCC[N@H+]1CCC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000218399613 523829222 /nfs/dbraw/zinc/82/92/22/523829222.db2.gz MQDKTZXKFLSHHW-CQSZACIVSA-N 1 1 358.404 2.723 50 70 FFIAMO O[C@@H](c1cc2n(n1)CCC[N@H+](CCn1cc(Cl)cn1)C2)c1ccccc1 ZINC000216925703 206361155 /nfs/dbraw/zinc/36/11/55/206361155.db2.gz WTBOTZRMZWLPLV-LJQANCHMSA-N 1 1 371.872 2.721 50 70 FFIAMO O[C@@H](c1cc2n(n1)CCC[N@@H+](CCn1cc(Cl)cn1)C2)c1ccccc1 ZINC000216925703 206361159 /nfs/dbraw/zinc/36/11/59/206361159.db2.gz WTBOTZRMZWLPLV-LJQANCHMSA-N 1 1 371.872 2.721 50 70 FFIAMO O=C(Cc1cnccn1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000217207834 206361821 /nfs/dbraw/zinc/36/18/21/206361821.db2.gz XZDLSTQQXXBJTL-JOCHJYFZSA-N 1 1 364.493 2.924 50 70 FFIAMO CCc1[nH+]ccn1CCC(=O)NCCc1csc(-c2ccncc2)n1 ZINC000218475490 522582782 /nfs/dbraw/zinc/58/27/82/522582782.db2.gz GBBWJASWLBKOAA-UHFFFAOYSA-N 1 1 355.467 2.713 50 70 FFIAMO COc1ccccc1OCCCN1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000217382879 524668578 /nfs/dbraw/zinc/66/85/78/524668578.db2.gz RUDYVQCIOZOSJS-FQEVSTJZSA-N 1 1 370.493 2.643 50 70 FFIAMO COc1ccccc1OCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](O)C1 ZINC000217382879 524668588 /nfs/dbraw/zinc/66/85/88/524668588.db2.gz RUDYVQCIOZOSJS-FQEVSTJZSA-N 1 1 370.493 2.643 50 70 FFIAMO COc1ccccc1OCCC[N@H+]1CCN(Cc2ccccc2)C[C@@H](O)C1 ZINC000217382879 524668594 /nfs/dbraw/zinc/66/85/94/524668594.db2.gz RUDYVQCIOZOSJS-FQEVSTJZSA-N 1 1 370.493 2.643 50 70 FFIAMO C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000217917611 525863893 /nfs/dbraw/zinc/86/38/93/525863893.db2.gz MGISZEWFQBELSI-MRXNPFEDSA-N 1 1 351.454 2.587 50 70 FFIAMO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000217917611 525863898 /nfs/dbraw/zinc/86/38/98/525863898.db2.gz MGISZEWFQBELSI-MRXNPFEDSA-N 1 1 351.454 2.587 50 70 FFIAMO COc1cccc(CCC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c1 ZINC000218231183 525878974 /nfs/dbraw/zinc/87/89/74/525878974.db2.gz MVGNZKDIKUXSSY-UHFFFAOYSA-N 1 1 353.466 2.757 50 70 FFIAMO COc1cccc(CCC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c1 ZINC000218231183 525878982 /nfs/dbraw/zinc/87/89/82/525878982.db2.gz MVGNZKDIKUXSSY-UHFFFAOYSA-N 1 1 353.466 2.757 50 70 FFIAMO O=c1cc(C[NH+]2CCCCC2)oc(CN2CCc3ccccc3C2)c1O ZINC000217741365 206366435 /nfs/dbraw/zinc/36/64/35/206366435.db2.gz DPTFVIUMPCIACW-UHFFFAOYSA-N 1 1 354.450 2.890 50 70 biogenic FFIAMO Cn1ccnc1CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000218269882 527428931 /nfs/dbraw/zinc/42/89/31/527428931.db2.gz RAOWQJSHZORPEP-LJQANCHMSA-N 1 1 352.482 2.966 50 70 FFIAMO CCc1oc2ccccc2c1C[N@H+]1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217207277 523008947 /nfs/dbraw/zinc/00/89/47/523008947.db2.gz OZWFDTDYAFDRAP-GOSISDBHSA-N 1 1 355.438 2.623 50 70 FFIAMO O=c1cc(CO)oc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1O ZINC000218457774 527479272 /nfs/dbraw/zinc/47/92/72/527479272.db2.gz LSRKJFJXLYIWRE-GFCCVEGCSA-N 1 1 372.446 2.827 50 70 FFIAMO O=c1cc(CO)oc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1O ZINC000218457774 527479275 /nfs/dbraw/zinc/47/92/75/527479275.db2.gz LSRKJFJXLYIWRE-GFCCVEGCSA-N 1 1 372.446 2.827 50 70 FFIAMO C[C@@H]1CCCC[N@H+]1CCN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000218760350 206373588 /nfs/dbraw/zinc/37/35/88/206373588.db2.gz AFSUZJUFRJPPMZ-CQSZACIVSA-N 1 1 353.894 2.510 50 70 FFIAMO COc1ccccc1C[C@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000159812681 508894452 /nfs/dbraw/zinc/89/44/52/508894452.db2.gz DYVJRQUREBLDNU-QGZVFWFLSA-N 1 1 371.481 2.567 50 70 FFIAMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000159812541 508894538 /nfs/dbraw/zinc/89/45/38/508894538.db2.gz DYVJRQUREBLDNU-KRWDZBQOSA-N 1 1 371.481 2.567 50 70 FFIAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1 ZINC000217208009 527435112 /nfs/dbraw/zinc/43/51/12/527435112.db2.gz CVPGWSKNTMCVAI-KRWDZBQOSA-N 1 1 370.501 2.847 50 70 FFIAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000217682453 509271433 /nfs/dbraw/zinc/27/14/33/509271433.db2.gz ZLBNYOQQTZEYFG-OAHLLOKOSA-N 1 1 365.437 2.513 50 70 FFIAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCCn3nc(CO)cc3C2)CC1 ZINC000217766030 132272294 /nfs/dbraw/zinc/27/22/94/132272294.db2.gz FOQXSHAIIHLKEC-UHFFFAOYSA-N 1 1 358.461 2.698 50 70 FFIAMO Cc1ccc([C@H](NC(=O)CCC[NH+]2CCOCC2)c2ccncc2)cc1 ZINC000217646178 525964617 /nfs/dbraw/zinc/96/46/17/525964617.db2.gz HTPYXUUDWBFOHE-NRFANRHFSA-N 1 1 353.466 2.708 50 70 FFIAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCc1nncn1C1CCCCC1 ZINC000218155392 526803055 /nfs/dbraw/zinc/80/30/55/526803055.db2.gz VUGILBKLVLIMKO-GOSISDBHSA-N 1 1 367.497 2.889 50 70 FFIAMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCO)CC1)c1cccc2ccccc21 ZINC000161278941 509095962 /nfs/dbraw/zinc/09/59/62/509095962.db2.gz FUGFVLKXEWNGFK-INIZCTEOSA-N 1 1 355.482 2.999 50 70 FFIAMO CCc1c(C)[nH]n(-c2cccc(C(=O)N3CCC(C[NH+](C)C)CC3)c2)c1=O ZINC000217910065 509273203 /nfs/dbraw/zinc/27/32/03/509273203.db2.gz UIHWQQGDLYNMMX-UHFFFAOYSA-N 1 1 370.497 2.863 50 70 FFIAMO O[C@@H](c1cc2n(n1)CCC[N@@H+](CCc1cscn1)C2)c1ccccc1 ZINC000217492805 527665799 /nfs/dbraw/zinc/66/57/99/527665799.db2.gz AHLFBWZPAYNFLK-LJQANCHMSA-N 1 1 354.479 2.870 50 70 FFIAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217798759 509272604 /nfs/dbraw/zinc/27/26/04/509272604.db2.gz LJGUSRXRFLXJDY-FQEVSTJZSA-N 1 1 360.461 2.936 50 70 FFIAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217798759 509272611 /nfs/dbraw/zinc/27/26/11/509272611.db2.gz LJGUSRXRFLXJDY-FQEVSTJZSA-N 1 1 360.461 2.936 50 70 FFIAMO COCC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000218399540 523825677 /nfs/dbraw/zinc/82/56/77/523825677.db2.gz MQDKTZXKFLSHHW-AWEZNQCLSA-N 1 1 358.404 2.723 50 70 FFIAMO O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[N@H+]1CCc2ccccc2C1 ZINC000218111766 509274139 /nfs/dbraw/zinc/27/41/39/509274139.db2.gz NBKGRDAHVXMQQY-UHFFFAOYSA-N 1 1 354.450 2.890 50 70 biogenic FFIAMO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 ZINC000218267559 509276836 /nfs/dbraw/zinc/27/68/36/509276836.db2.gz VABWVJZWDMYJAR-RZUBCFFCSA-N 1 1 350.462 2.673 50 70 FFIAMO O=C(C[N@H+]1CCc2ccccc2C1)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 ZINC000218267559 509276843 /nfs/dbraw/zinc/27/68/43/509276843.db2.gz VABWVJZWDMYJAR-RZUBCFFCSA-N 1 1 350.462 2.673 50 70 FFIAMO Cn1cc[nH+]c1CC1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160822963 509037197 /nfs/dbraw/zinc/03/71/97/509037197.db2.gz RCTIVXZNGKZNTI-HNNXBMFYSA-N 1 1 360.483 2.823 50 70 FFIAMO CC(=O)N1CCC(C(=O)N[C@@H](CCn2cc[nH+]c2C)c2ccccc2)CC1 ZINC000218708733 509280299 /nfs/dbraw/zinc/28/02/99/509280299.db2.gz LXKPJGXEBFNNKR-FQEVSTJZSA-N 1 1 368.481 2.698 50 70 FFIAMO C[C@H]1CCCC[N@H+]1CCN(C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000218760391 509282419 /nfs/dbraw/zinc/28/24/19/509282419.db2.gz AFSUZJUFRJPPMZ-AWEZNQCLSA-N 1 1 353.894 2.510 50 70 FFIAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccccc1Oc1ccccc1F ZINC000217612498 523889025 /nfs/dbraw/zinc/88/90/25/523889025.db2.gz PYXSWDZHRRRMTQ-HNNXBMFYSA-N 1 1 372.444 2.985 50 70 FFIAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCc1noc(-c2ccccc2)n1 ZINC000217514130 509270206 /nfs/dbraw/zinc/27/02/06/509270206.db2.gz TZVBFRIJAGJMNC-AWEZNQCLSA-N 1 1 353.426 2.976 50 70 FFIAMO COC(=O)C[C@H](c1ccco1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217892306 523340276 /nfs/dbraw/zinc/34/02/76/523340276.db2.gz VTBVGVSRBABRAK-CQSZACIVSA-N 1 1 361.394 2.619 50 70 biogenic FFIAMO O[C@H](c1cc2n(n1)CCC[N@H+](CCn1cc(Cl)cn1)C2)c1ccccc1 ZINC000216925729 509266629 /nfs/dbraw/zinc/26/66/29/509266629.db2.gz WTBOTZRMZWLPLV-IBGZPJMESA-N 1 1 371.872 2.721 50 70 FFIAMO O[C@H](c1cc2n(n1)CCC[N@@H+](CCn1cc(Cl)cn1)C2)c1ccccc1 ZINC000216925729 509266636 /nfs/dbraw/zinc/26/66/36/509266636.db2.gz WTBOTZRMZWLPLV-IBGZPJMESA-N 1 1 371.872 2.721 50 70 FFIAMO C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000217917680 525851150 /nfs/dbraw/zinc/85/11/50/525851150.db2.gz MGISZEWFQBELSI-INIZCTEOSA-N 1 1 351.454 2.587 50 70 FFIAMO C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000217917680 525851159 /nfs/dbraw/zinc/85/11/59/525851159.db2.gz MGISZEWFQBELSI-INIZCTEOSA-N 1 1 351.454 2.587 50 70 FFIAMO COCC[N@H+]1CCC[C@H](CNC(=O)Cc2c(F)ccc(Cl)c2F)C1 ZINC000218167381 523829993 /nfs/dbraw/zinc/82/99/93/523829993.db2.gz QFSILNQNBPGBKY-GFCCVEGCSA-N 1 1 360.832 2.635 50 70 FFIAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000161188508 509082616 /nfs/dbraw/zinc/08/26/16/509082616.db2.gz OKSAOKROTBUAJQ-HNNXBMFYSA-N 1 1 356.474 2.678 50 70 FFIAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCc1nncn1C1CCCCC1 ZINC000218155458 526808652 /nfs/dbraw/zinc/80/86/52/526808652.db2.gz VUGILBKLVLIMKO-SFHVURJKSA-N 1 1 367.497 2.889 50 70 FFIAMO O=C(CCCn1cccn1)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000218109719 526471010 /nfs/dbraw/zinc/47/10/10/526471010.db2.gz QKONWDJPGYXIEV-UXHICEINSA-N 1 1 352.482 2.786 50 70 FFIAMO CN1CC[N@@H+](C)[C@@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)C1 ZINC000217964668 523885058 /nfs/dbraw/zinc/88/50/58/523885058.db2.gz ZOSRMUCMBSHVQX-IBGZPJMESA-N 1 1 367.493 2.774 50 70 FFIAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC000217964668 523885063 /nfs/dbraw/zinc/88/50/63/523885063.db2.gz ZOSRMUCMBSHVQX-IBGZPJMESA-N 1 1 367.493 2.774 50 70 FFIAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC000217964668 523885071 /nfs/dbraw/zinc/88/50/71/523885071.db2.gz ZOSRMUCMBSHVQX-IBGZPJMESA-N 1 1 367.493 2.774 50 70 FFIAMO Cn1cc[nH+]c1CC1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160823100 509037181 /nfs/dbraw/zinc/03/71/81/509037181.db2.gz RCTIVXZNGKZNTI-OAHLLOKOSA-N 1 1 360.483 2.823 50 70 FFIAMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccccc1F ZINC000218628622 509280342 /nfs/dbraw/zinc/28/03/42/509280342.db2.gz ZELHOBHSTVCSNO-UHFFFAOYSA-N 1 1 372.440 2.695 50 70 FFIAMO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccccc1F ZINC000218628622 509280347 /nfs/dbraw/zinc/28/03/47/509280347.db2.gz ZELHOBHSTVCSNO-UHFFFAOYSA-N 1 1 372.440 2.695 50 70 FFIAMO O=C(CCc1ccc(-n2cnnc2)cc1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217751368 526584165 /nfs/dbraw/zinc/58/41/65/526584165.db2.gz VCWGVWIRWMDBBV-AZUAARDMSA-N 1 1 367.497 2.581 50 70 biogenic FFIAMO Cc1ccccc1OC[C@H](O)C(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000217202581 525313317 /nfs/dbraw/zinc/31/33/17/525313317.db2.gz GNCJENZSLJZRPE-IBGZPJMESA-N 1 1 360.498 2.602 50 70 FFIAMO O=C(c1ccnnc1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000217641957 509271199 /nfs/dbraw/zinc/27/11/99/509271199.db2.gz QOYHGKJUSDLHBT-OAQYLSRUSA-N 1 1 350.466 2.995 50 70 FFIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-n2cnnc2)ccc1Cl ZINC000217777266 509271407 /nfs/dbraw/zinc/27/14/07/509271407.db2.gz HPMZWOMHWHIDSY-KBXCAEBGSA-N 1 1 373.888 2.915 50 70 biogenic FFIAMO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CN1CCC(c3ccccc3)CC1)C2 ZINC000217806605 517913723 /nfs/dbraw/zinc/91/37/23/517913723.db2.gz MALIEUMQZFMRRU-XVAYZXCPSA-N 1 1 355.526 2.665 50 70 FFIAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1 ZINC000217208015 527434386 /nfs/dbraw/zinc/43/43/86/527434386.db2.gz CVPGWSKNTMCVAI-QGZVFWFLSA-N 1 1 370.501 2.847 50 70 FFIAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000217682369 206366107 /nfs/dbraw/zinc/36/61/07/206366107.db2.gz ZLBNYOQQTZEYFG-HNNXBMFYSA-N 1 1 365.437 2.513 50 70 FFIAMO COC(=O)C[C@@H](c1ccco1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217892393 523280681 /nfs/dbraw/zinc/28/06/81/523280681.db2.gz VTBVGVSRBABRAK-AWEZNQCLSA-N 1 1 361.394 2.619 50 70 biogenic FFIAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000218742522 206373492 /nfs/dbraw/zinc/37/34/92/206373492.db2.gz UXICGTOTGDMXLN-JWWGGVBKSA-N 1 1 353.466 2.598 50 70 FFIAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000161188632 509082486 /nfs/dbraw/zinc/08/24/86/509082486.db2.gz OKSAOKROTBUAJQ-OAHLLOKOSA-N 1 1 356.474 2.678 50 70 FFIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000217712148 509271519 /nfs/dbraw/zinc/27/15/19/509271519.db2.gz PQUSZFWTSBKOOR-FRQCXROJSA-N 1 1 373.472 2.559 50 70 biogenic FFIAMO Cc1ccccc1OC[C@@H](O)C(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000217202573 525306034 /nfs/dbraw/zinc/30/60/34/525306034.db2.gz GNCJENZSLJZRPE-LJQANCHMSA-N 1 1 360.498 2.602 50 70 FFIAMO CCc1oc2ccccc2c1C[N@H+]1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217207271 523008381 /nfs/dbraw/zinc/00/83/81/523008381.db2.gz OZWFDTDYAFDRAP-SFHVURJKSA-N 1 1 355.438 2.623 50 70 FFIAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)cc1 ZINC000217100719 509266033 /nfs/dbraw/zinc/26/60/33/509266033.db2.gz REQCMMORJPJMFO-FERLCFGISA-N 1 1 352.478 2.887 50 70 FFIAMO O=C(Cn1cnc(-c2ccccc2)c1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217808981 527395136 /nfs/dbraw/zinc/39/51/36/527395136.db2.gz KVXPQSBAOWYHMO-AZUAARDMSA-N 1 1 352.482 2.931 50 70 biogenic FFIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000217712227 509271669 /nfs/dbraw/zinc/27/16/69/509271669.db2.gz PQUSZFWTSBKOOR-TXPKVOOTSA-N 1 1 373.472 2.559 50 70 biogenic FFIAMO O=C(c1ccnnc1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000217642039 206363897 /nfs/dbraw/zinc/36/38/97/206363897.db2.gz QOYHGKJUSDLHBT-NRFANRHFSA-N 1 1 350.466 2.995 50 70 FFIAMO O=c1cc(CO)oc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1O ZINC000218457688 527479138 /nfs/dbraw/zinc/47/91/38/527479138.db2.gz LSRKJFJXLYIWRE-LBPRGKRZSA-N 1 1 372.446 2.827 50 70 FFIAMO O=c1cc(CO)oc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1O ZINC000218457688 527479143 /nfs/dbraw/zinc/47/91/43/527479143.db2.gz LSRKJFJXLYIWRE-LBPRGKRZSA-N 1 1 372.446 2.827 50 70 FFIAMO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 ZINC000218267506 509274335 /nfs/dbraw/zinc/27/43/35/509274335.db2.gz VABWVJZWDMYJAR-VWPQPMDRSA-N 1 1 350.462 2.673 50 70 FFIAMO O=C(C[N@H+]1CCc2ccccc2C1)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 ZINC000218267506 509274343 /nfs/dbraw/zinc/27/43/43/509274343.db2.gz VABWVJZWDMYJAR-VWPQPMDRSA-N 1 1 350.462 2.673 50 70 FFIAMO Cc1c[nH]nc1C1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000216969716 526020345 /nfs/dbraw/zinc/02/03/45/526020345.db2.gz GLDXVXZUUKEOHV-LJQANCHMSA-N 1 1 352.482 2.914 50 70 FFIAMO Cc1cn[nH]c1C1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000216969716 526020355 /nfs/dbraw/zinc/02/03/55/526020355.db2.gz GLDXVXZUUKEOHV-LJQANCHMSA-N 1 1 352.482 2.914 50 70 FFIAMO Cc1cn[nH]c1C1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000216969716 526020365 /nfs/dbraw/zinc/02/03/65/526020365.db2.gz GLDXVXZUUKEOHV-LJQANCHMSA-N 1 1 352.482 2.914 50 70 FFIAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1OCC(=O)N1CCCCC1)C2 ZINC000217060075 509266464 /nfs/dbraw/zinc/26/64/64/509266464.db2.gz VPOUUJPPGLOEBD-NGRWLJPCSA-N 1 1 372.509 2.935 50 70 FFIAMO CC[C@@H](O)c1cc2n(n1)CC[N@H+](CCc1nc3cc(Cl)ccc3[nH]1)C2 ZINC000217471172 509269507 /nfs/dbraw/zinc/26/95/07/509269507.db2.gz PFTIRODOSWTMRW-QGZVFWFLSA-N 1 1 359.861 2.915 50 70 FFIAMO CC[C@@H](O)c1cc2n(n1)CC[N@@H+](CCc1nc3cc(Cl)ccc3[nH]1)C2 ZINC000217471172 509269512 /nfs/dbraw/zinc/26/95/12/509269512.db2.gz PFTIRODOSWTMRW-QGZVFWFLSA-N 1 1 359.861 2.915 50 70 FFIAMO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1-n1cccn1 ZINC000217847159 509272493 /nfs/dbraw/zinc/27/24/93/509272493.db2.gz RCZGDSPUHGESFM-ZWKOTPCHSA-N 1 1 368.481 2.875 50 70 biogenic FFIAMO O=C(CCC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1)c1ccccc1 ZINC000218217942 526379051 /nfs/dbraw/zinc/37/90/51/526379051.db2.gz UVFPPIRFFXGGHP-UHFFFAOYSA-N 1 1 362.473 2.961 50 70 FFIAMO CC(=O)N1CCC(C(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)CC1 ZINC000218708816 509279601 /nfs/dbraw/zinc/27/96/01/509279601.db2.gz LXKPJGXEBFNNKR-HXUWFJFHSA-N 1 1 368.481 2.698 50 70 FFIAMO Cc1nnsc1CN(C)Cc1cc(CN2CC[NH+](C)CC2)c(C)cc1C ZINC000218060697 526447460 /nfs/dbraw/zinc/44/74/60/526447460.db2.gz LNWBHLUSGMATRV-UHFFFAOYSA-N 1 1 373.570 2.843 50 70 FFIAMO CC[C@H](O)c1cc2n(n1)CC[N@H+](CCc1nc3cc(Cl)ccc3[nH]1)C2 ZINC000217471240 509270389 /nfs/dbraw/zinc/27/03/89/509270389.db2.gz PFTIRODOSWTMRW-KRWDZBQOSA-N 1 1 359.861 2.915 50 70 FFIAMO CC[C@H](O)c1cc2n(n1)CC[N@@H+](CCc1nc3cc(Cl)ccc3[nH]1)C2 ZINC000217471240 509270394 /nfs/dbraw/zinc/27/03/94/509270394.db2.gz PFTIRODOSWTMRW-KRWDZBQOSA-N 1 1 359.861 2.915 50 70 FFIAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217798705 509271576 /nfs/dbraw/zinc/27/15/76/509271576.db2.gz LJGUSRXRFLXJDY-HXUWFJFHSA-N 1 1 360.461 2.936 50 70 FFIAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217798705 509271581 /nfs/dbraw/zinc/27/15/81/509271581.db2.gz LJGUSRXRFLXJDY-HXUWFJFHSA-N 1 1 360.461 2.936 50 70 FFIAMO Cc1ccc([C@@H](NC(=O)CCC[NH+]2CCOCC2)c2ccncc2)cc1 ZINC000217646107 525767744 /nfs/dbraw/zinc/76/77/44/525767744.db2.gz HTPYXUUDWBFOHE-OAQYLSRUSA-N 1 1 353.466 2.708 50 70 FFIAMO Cn1nc(CN2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)c2c1cccc2Cl ZINC000216986929 527554642 /nfs/dbraw/zinc/55/46/42/527554642.db2.gz OQDQQJJWCOBCNA-HNNXBMFYSA-N 1 1 362.905 2.505 50 70 FFIAMO COc1cccc(SCC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)c1 ZINC000218665272 509280500 /nfs/dbraw/zinc/28/05/00/509280500.db2.gz QXNOYLLBPZCZGS-UHFFFAOYSA-N 1 1 371.506 2.917 50 70 FFIAMO COc1cccc(SCC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)c1 ZINC000218665272 509280504 /nfs/dbraw/zinc/28/05/04/509280504.db2.gz QXNOYLLBPZCZGS-UHFFFAOYSA-N 1 1 371.506 2.917 50 70 FFIAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(OCCCN3CCOCC3)c1)C2 ZINC000217071544 509265870 /nfs/dbraw/zinc/26/58/70/509265870.db2.gz GLGVSNOETDZBOQ-XVAYZXCPSA-N 1 1 374.525 2.645 50 70 FFIAMO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2nc[nH]n2)CC1 ZINC000218298415 526366566 /nfs/dbraw/zinc/36/65/66/526366566.db2.gz HHJKKEDHAWBCDV-UHFFFAOYSA-N 1 1 367.497 2.813 50 70 FFIAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160088340 508936878 /nfs/dbraw/zinc/93/68/78/508936878.db2.gz QRMWNZWYSRBYOG-HFTRVMKXSA-N 1 1 354.441 2.823 50 70 FFIAMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160088340 508936883 /nfs/dbraw/zinc/93/68/83/508936883.db2.gz QRMWNZWYSRBYOG-HFTRVMKXSA-N 1 1 354.441 2.823 50 70 FFIAMO O=C(Nc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000217212137 509268485 /nfs/dbraw/zinc/26/84/85/509268485.db2.gz CYDRDCXLZASBBT-QUCCMNQESA-N 1 1 363.461 2.748 50 70 FFIAMO O=c1cc(CN2CCc3ccccc3C2)oc(C[NH+]2CCCCC2)c1O ZINC000218269156 509276810 /nfs/dbraw/zinc/27/68/10/509276810.db2.gz OAVPMWQTDXWPID-UHFFFAOYSA-N 1 1 354.450 2.890 50 70 FFIAMO O=C(CCCN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217879959 526434123 /nfs/dbraw/zinc/43/41/23/526434123.db2.gz KYNQLAGHPHZDIB-FXAWDEMLSA-N 1 1 369.509 2.803 50 70 biogenic FFIAMO Cn1ccnc1CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000218269846 527429592 /nfs/dbraw/zinc/42/95/92/527429592.db2.gz RAOWQJSHZORPEP-IBGZPJMESA-N 1 1 352.482 2.966 50 70 FFIAMO CN1CC[N@@H+](C)[C@@H](CC(=O)NCCCSCc2ccccc2Cl)C1 ZINC000217414027 523884985 /nfs/dbraw/zinc/88/49/85/523884985.db2.gz XZBSVYLIWLOWDF-INIZCTEOSA-N 1 1 369.962 2.715 50 70 FFIAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)NCCCSCc1ccccc1Cl ZINC000217414027 523884989 /nfs/dbraw/zinc/88/49/89/523884989.db2.gz XZBSVYLIWLOWDF-INIZCTEOSA-N 1 1 369.962 2.715 50 70 FFIAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)NCCCSCc1ccccc1Cl ZINC000217414027 523884992 /nfs/dbraw/zinc/88/49/92/523884992.db2.gz XZBSVYLIWLOWDF-INIZCTEOSA-N 1 1 369.962 2.715 50 70 FFIAMO COCC[N@H+]1CCC[C@@H](CNC(=O)Cc2c(F)ccc(Cl)c2F)C1 ZINC000218167315 523823953 /nfs/dbraw/zinc/82/39/53/523823953.db2.gz QFSILNQNBPGBKY-LBPRGKRZSA-N 1 1 360.832 2.635 50 70 FFIAMO Cc1nnc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)o1 ZINC000217970701 526341764 /nfs/dbraw/zinc/34/17/64/526341764.db2.gz VGIRJHXNZCSFCN-UHFFFAOYSA-N 1 1 362.433 2.866 50 70 FFIAMO Cc1c[nH]nc1C1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000216969734 526022571 /nfs/dbraw/zinc/02/25/71/526022571.db2.gz GLDXVXZUUKEOHV-IBGZPJMESA-N 1 1 352.482 2.914 50 70 FFIAMO Cc1cn[nH]c1C1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000216969734 526022581 /nfs/dbraw/zinc/02/25/81/526022581.db2.gz GLDXVXZUUKEOHV-IBGZPJMESA-N 1 1 352.482 2.914 50 70 FFIAMO Cc1cn[nH]c1C1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000216969734 526022590 /nfs/dbraw/zinc/02/25/90/526022590.db2.gz GLDXVXZUUKEOHV-IBGZPJMESA-N 1 1 352.482 2.914 50 70 FFIAMO