smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000333730951 215313219 /nfs/dbraw/zinc/31/32/19/215313219.db2.gz WBYJRKABSKVZTB-KZNAEPCWSA-N 2 1 367.538 0.550 40 0 FCABMP COc1ccc2nc(NCC[NH2+]CCO)cc(NCC[NH2+]CCO)c2c1 ZINC000005552028 204214580 /nfs/dbraw/zinc/21/45/80/204214580.db2.gz IFLOLIBEFZIMKW-UHFFFAOYSA-N 2 1 363.462 0.231 40 0 FCABMP COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC000257227909 488523594 /nfs/dbraw/zinc/52/35/94/488523594.db2.gz FRNMZOQBORRCLP-GOSISDBHSA-N 2 1 353.507 0.793 40 0 FCABMP C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](CNC2CC[NH+](C)CC2)O[C@@H](CO)[C@H]1O ZINC000020465961 523352657 /nfs/dbraw/zinc/35/26/57/523352657.db2.gz QELMXXPVXVTWOH-IYWMVGAKSA-N 2 1 363.502 0.291 40 0 biogenic,in-vitro FCABMP C[N@@H+](Cc1cccc(OCC[NH+]2CCCC2)c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292127 491721612 /nfs/dbraw/zinc/72/16/12/491721612.db2.gz YOKZFLVBNDELPF-QRVBRYPASA-N 2 1 350.459 0.714 40 0 FCABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000001724842 534961792 /nfs/dbraw/zinc/96/17/92/534961792.db2.gz WASDPFOBCFCNLA-UHFFFAOYSA-N 2 1 360.418 0.110 40 0 FCABMP C[N@@H+](CC1CC[NH+](Cc2ccc(F)cn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290460 491721836 /nfs/dbraw/zinc/72/18/36/491721836.db2.gz DOBNEMXRZSOMGN-KURKYZTESA-N 2 1 353.438 0.485 40 0 FCABMP Cn1cc(C[N@@H+]2CCc3nc4n(c(=O)c3C2)CC[NH+](CC2CC2)CC4)cn1 ZINC000306128213 488893405 /nfs/dbraw/zinc/89/34/05/488893405.db2.gz GULIOELPSJOXNW-UHFFFAOYSA-N 2 1 368.485 0.803 40 0 FCABMP Cn1cc(C[N@H+]2CCc3nc4n(c(=O)c3C2)CC[NH+](CC2CC2)CC4)cn1 ZINC000306128213 488893406 /nfs/dbraw/zinc/89/34/06/488893406.db2.gz GULIOELPSJOXNW-UHFFFAOYSA-N 2 1 368.485 0.803 40 0 FCABMP Cn1cc(C[NH+]2CCc3nc4n(c(=O)c3C2)CC[N@H+](CC2CC2)CC4)cn1 ZINC000306128213 488893407 /nfs/dbraw/zinc/89/34/07/488893407.db2.gz GULIOELPSJOXNW-UHFFFAOYSA-N 2 1 368.485 0.803 40 0 FCABMP Cn1cc(C[NH+]2CCc3nc4n(c(=O)c3C2)CC[N@@H+](CC2CC2)CC4)cn1 ZINC000306128213 488893408 /nfs/dbraw/zinc/89/34/08/488893408.db2.gz GULIOELPSJOXNW-UHFFFAOYSA-N 2 1 368.485 0.803 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306138967 488894211 /nfs/dbraw/zinc/89/42/11/488894211.db2.gz SLYHQMJZOCCKOW-CABCVRRESA-N 2 1 374.514 0.935 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306137232 488894575 /nfs/dbraw/zinc/89/45/75/488894575.db2.gz QPZBFYVWHRSNHM-KBPBESRZSA-N 2 1 358.446 0.467 40 0 FCABMP CC1(C)CC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC(C)(C)[NH2+]1 ZINC000170369905 488813630 /nfs/dbraw/zinc/81/36/30/488813630.db2.gz CYGLQBGNVAUVBF-UHFFFAOYSA-N 2 1 354.495 0.250 40 0 FCABMP CC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1O ZINC000585274675 491720676 /nfs/dbraw/zinc/72/06/76/491720676.db2.gz ZHPWOHXZEQQWTP-BHIYHBOVSA-N 2 1 365.474 0.059 40 0 FCABMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000333730949 215313740 /nfs/dbraw/zinc/31/37/40/215313740.db2.gz WBYJRKABSKVZTB-FGTMMUONSA-N 2 1 367.538 0.550 40 0 FCABMP [NH3+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c1 ZINC000257202057 488523091 /nfs/dbraw/zinc/52/30/91/488523091.db2.gz AKHHQAKBVJCOSB-KZNAEPCWSA-N 2 1 363.458 0.368 40 0 FCABMP COC(=O)[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+](C2CCOCC2)C1 ZINC000257335118 488526511 /nfs/dbraw/zinc/52/65/11/488526511.db2.gz YISSFPDWPYEQKD-AWEZNQCLSA-N 2 1 353.463 0.370 40 0 FCABMP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257243753 488523988 /nfs/dbraw/zinc/52/39/88/488523988.db2.gz IIKWJENYOIUQNE-LJQANCHMSA-N 2 1 351.491 0.547 40 0 FCABMP C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)CC1 ZINC000257285977 488525480 /nfs/dbraw/zinc/52/54/80/488525480.db2.gz PJPQXOPPGRNTBL-FQEVSTJZSA-N 2 1 363.502 0.632 40 0 FCABMP C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCCO)cc3)C2)CC1 ZINC000257285977 488525481 /nfs/dbraw/zinc/52/54/81/488525481.db2.gz PJPQXOPPGRNTBL-FQEVSTJZSA-N 2 1 363.502 0.632 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306127961 488893797 /nfs/dbraw/zinc/89/37/97/488893797.db2.gz GMELAXYYKPSLJB-KBPBESRZSA-N 2 1 374.514 0.935 40 0 FCABMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000333730953 215314307 /nfs/dbraw/zinc/31/43/07/215314307.db2.gz WBYJRKABSKVZTB-OKZBNKHCSA-N 2 1 367.538 0.550 40 0 FCABMP Cn1cc(C[NH+]2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2C[N@H+](C)CCN23)cn1 ZINC001772595210 1180022643 /nfs/dbraw/zinc/02/26/43/1180022643.db2.gz CGBVYYADCQTCLQ-GOSISDBHSA-N 2 1 372.517 0.580 40 0 FCABMP Cn1cc(C[NH+]2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2C[N@@H+](C)CCN23)cn1 ZINC001772595210 1180022647 /nfs/dbraw/zinc/02/26/47/1180022647.db2.gz CGBVYYADCQTCLQ-GOSISDBHSA-N 2 1 372.517 0.580 40 0 FCABMP COCCN1C(=O)[C@H]2C[N@@H+](C)CCN2C12CC[NH+](Cc1ccncc1)CC2 ZINC001772595308 1180030995 /nfs/dbraw/zinc/03/09/95/1180030995.db2.gz LLCSQSXHXBCMGX-GOSISDBHSA-N 2 1 373.501 0.478 40 0 FCABMP O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC001549160199 1267837678 /nfs/dbraw/zinc/83/76/78/1267837678.db2.gz BFXOGNOTRWTZOW-RCCFBDPRSA-N 2 1 361.421 0.554 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306127962 488893441 /nfs/dbraw/zinc/89/34/41/488893441.db2.gz GMELAXYYKPSLJB-KGLIPLIRSA-N 2 1 374.514 0.935 40 0 FCABMP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248744 488524320 /nfs/dbraw/zinc/52/43/20/488524320.db2.gz JEZWBYOECATWFR-CYBMUJFWSA-N 2 1 355.508 0.685 40 0 FCABMP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248744 488524322 /nfs/dbraw/zinc/52/43/22/488524322.db2.gz JEZWBYOECATWFR-CYBMUJFWSA-N 2 1 355.508 0.685 40 0 FCABMP Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019698003 487605705 /nfs/dbraw/zinc/60/57/05/487605705.db2.gz HSEUTFUILXERIT-HNNXBMFYSA-N 2 1 353.492 0.743 40 0 FCABMP C[NH+]1CCN(c2nccc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3CCO)n2)CC1 ZINC000019590148 487605742 /nfs/dbraw/zinc/60/57/42/487605742.db2.gz XYNWIBFARVLTKC-MSOLQXFVSA-N 2 1 360.506 0.259 40 0 FCABMP C[NH+]1CCN(c2nccc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3CCO)n2)CC1 ZINC000019590148 487605745 /nfs/dbraw/zinc/60/57/45/487605745.db2.gz XYNWIBFARVLTKC-MSOLQXFVSA-N 2 1 360.506 0.259 40 0 FCABMP CCc1[nH+]ccn1CC(=O)N1CCC2(CC1)C[C@H]([NH2+]C)[C@@](C)(O)CO2 ZINC000257205989 488523139 /nfs/dbraw/zinc/52/31/39/488523139.db2.gz BBKICOXGKGCGMY-YOEHRIQHSA-N 2 1 350.463 0.566 40 0 FCABMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCOCC3)C2)cc1 ZINC000585274451 491720733 /nfs/dbraw/zinc/72/07/33/491720733.db2.gz XCSKZPYWGAPITE-HXUWFJFHSA-N 2 1 363.502 0.896 40 0 FCABMP COCCN1C(=O)[C@H]2C[N@@H+](C)CCN2C12CC[NH+](Cc1cccnc1)CC2 ZINC001772595466 1180032178 /nfs/dbraw/zinc/03/21/78/1180032178.db2.gz ZQBNPXDDJINDGN-GOSISDBHSA-N 2 1 373.501 0.478 40 0 FCABMP CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C)CC2)C12C[NH2+]C2 ZINC001549174388 1267851251 /nfs/dbraw/zinc/85/12/51/1267851251.db2.gz CIBCRALMQZKHRH-KRWDZBQOSA-N 2 1 356.470 0.750 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306138970 488894632 /nfs/dbraw/zinc/89/46/32/488894632.db2.gz SLYHQMJZOCCKOW-LSDHHAIUSA-N 2 1 374.514 0.935 40 0 FCABMP [NH3+]CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cc1 ZINC000257236373 488523902 /nfs/dbraw/zinc/52/39/02/488523902.db2.gz HBWPITJWBTWRFN-KZNAEPCWSA-N 2 1 363.458 0.368 40 0 FCABMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000333730954 215313550 /nfs/dbraw/zinc/31/35/50/215313550.db2.gz WBYJRKABSKVZTB-RCCFBDPRSA-N 2 1 367.538 0.550 40 0 FCABMP COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CC[NH+](C)CC1 ZINC000022926977 487627142 /nfs/dbraw/zinc/62/71/42/487627142.db2.gz ULTRDELSKQZNGY-YESZJQIVSA-N 2 1 369.579 0.055 40 0 biogenic,in-vitro FCABMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1 ZINC000257257350 488523838 /nfs/dbraw/zinc/52/38/38/488523838.db2.gz KPDXGHCQFYDUPN-IRXDYDNUSA-N 2 1 350.463 0.654 40 0 FCABMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](O)[C@@H]([N@@H+](C)C2CCOCC2)CC1 ZINC000257257350 488523840 /nfs/dbraw/zinc/52/38/40/488523840.db2.gz KPDXGHCQFYDUPN-IRXDYDNUSA-N 2 1 350.463 0.654 40 0 FCABMP CN(C(=O)c1ccc(OCC[NH3+])cc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257217768 223025363 /nfs/dbraw/zinc/02/53/63/223025363.db2.gz DANKPJRNERTOKM-KZNAEPCWSA-N 2 1 363.458 0.320 40 0 FCABMP Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CC[N@H+]2Cc2cnn(C)c2)cn1 ZINC000096087481 222018482 /nfs/dbraw/zinc/01/84/82/222018482.db2.gz LFGRKVOBKNLZDR-MOPGFXCFSA-N 2 1 357.506 0.587 40 0 FCABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@@H+]2Cc2cnn(C)c2)cn1 ZINC000096087481 222018485 /nfs/dbraw/zinc/01/84/85/222018485.db2.gz LFGRKVOBKNLZDR-MOPGFXCFSA-N 2 1 357.506 0.587 40 0 FCABMP Cc1noc(C)c1C[NH+]1CCC(C[N@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585292072 491721773 /nfs/dbraw/zinc/72/17/73/491721773.db2.gz WRCXFQLXMVZYHZ-KURKYZTESA-N 2 1 353.463 0.556 40 0 FCABMP CN1C[C@H]([NH2+]CC2CC2)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O ZINC000096113399 222030667 /nfs/dbraw/zinc/03/06/67/222030667.db2.gz OZCXMEHFOHSTFP-IAGOWNOFSA-N 2 1 350.507 0.777 40 0 biogenic,in-vitro FCABMP COCCN1C(=O)[C@H]2C[N@@H+](C)CCN2C12CC[NH+](Cc1ccccn1)CC2 ZINC001772595442 1180032748 /nfs/dbraw/zinc/03/27/48/1180032748.db2.gz XGCCVDLHPGEEFQ-GOSISDBHSA-N 2 1 373.501 0.478 40 0 FCABMP CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C)CC2)C12C[NH2+]C2 ZINC001549174389 1267851485 /nfs/dbraw/zinc/85/14/85/1267851485.db2.gz CIBCRALMQZKHRH-QGZVFWFLSA-N 2 1 356.470 0.750 40 0 FCABMP CN(C)Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccco2)nn1 ZINC000008298571 291028882 /nfs/dbraw/zinc/02/88/82/291028882.db2.gz KVLIKMFMXFESFI-LESCRADOSA-N 2 1 372.473 0.960 40 0 biogenic,in-vitro FCABMP COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1 ZINC000020503808 229148270 /nfs/dbraw/zinc/14/82/70/229148270.db2.gz CBWHGWZXBNXNQD-HRCADAONSA-N 2 1 356.536 0.140 40 0 biogenic,in-vitro FCABMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290839 491721796 /nfs/dbraw/zinc/72/17/96/491721796.db2.gz HMZFMXDRPNIHFV-QRVBRYPASA-N 2 1 350.459 0.714 40 0 FCABMP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1O ZINC000952844609 1206208043 /nfs/dbraw/zinc/20/80/43/1206208043.db2.gz AUNLAUDDOREMEW-HSFUPAIVSA-N 2 1 359.382 0.736 40 0 biogenic,in-vitro FCABMP CN(C(=O)c1cccc(OCC[NH3+])c1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257279100 223047693 /nfs/dbraw/zinc/04/76/93/223047693.db2.gz OFAGWONBXIKDJY-KZNAEPCWSA-N 2 1 363.458 0.320 40 0 FCABMP Cn1cncc1C[NH+]1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1C[N@H+](C)CCN12 ZINC001772595217 1180029161 /nfs/dbraw/zinc/02/91/61/1180029161.db2.gz CSOOLOFUCHDYEL-GOSISDBHSA-N 2 1 372.517 0.580 40 0 FCABMP Cn1cncc1C[NH+]1CCC2(CC1)N(CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCN12 ZINC001772595217 1180029167 /nfs/dbraw/zinc/02/91/67/1180029167.db2.gz CSOOLOFUCHDYEL-GOSISDBHSA-N 2 1 372.517 0.580 40 0 FCABMP COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C3CC[NH+](C)CC3)O2)no1 ZINC000077262779 488409731 /nfs/dbraw/zinc/40/97/31/488409731.db2.gz IHXNMOSSSRYEMY-RYQLBKOJSA-N 2 1 353.463 0.956 40 0 biogenic,in-vitro FCABMP Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)NCCC[NH+](C)C)n1 ZINC000006189354 487494142 /nfs/dbraw/zinc/49/41/42/487494142.db2.gz QEBDDOLKCNNWML-UHFFFAOYSA-N 2 1 366.535 0.697 40 0 FCABMP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248745 223036561 /nfs/dbraw/zinc/03/65/61/223036561.db2.gz JEZWBYOECATWFR-ZDUSSCGKSA-N 2 1 355.508 0.685 40 0 FCABMP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248745 223036564 /nfs/dbraw/zinc/03/65/64/223036564.db2.gz JEZWBYOECATWFR-ZDUSSCGKSA-N 2 1 355.508 0.685 40 0 FCABMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000079432632 208087345 /nfs/dbraw/zinc/08/73/45/208087345.db2.gz LDMCUDWKBRSPED-MRXNPFEDSA-N 2 1 351.495 0.467 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306127964 223109130 /nfs/dbraw/zinc/10/91/30/223109130.db2.gz GMELAXYYKPSLJB-ZIAGYGMSSA-N 2 1 374.514 0.935 40 0 FCABMP Cc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019698004 487605212 /nfs/dbraw/zinc/60/52/12/487605212.db2.gz HSEUTFUILXERIT-OAHLLOKOSA-N 2 1 353.492 0.743 40 0 FCABMP C[NH+]1CCN(c2nccc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3CCO)n2)CC1 ZINC000019590147 487605522 /nfs/dbraw/zinc/60/55/22/487605522.db2.gz XYNWIBFARVLTKC-ROUUACIJSA-N 2 1 360.506 0.259 40 0 FCABMP C[NH+]1CCN(c2nccc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3CCO)n2)CC1 ZINC000019590147 487605526 /nfs/dbraw/zinc/60/55/26/487605526.db2.gz XYNWIBFARVLTKC-ROUUACIJSA-N 2 1 360.506 0.259 40 0 FCABMP COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC000257227910 533054703 /nfs/dbraw/zinc/05/47/03/533054703.db2.gz FRNMZOQBORRCLP-SFHVURJKSA-N 2 1 353.507 0.793 40 0 FCABMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@](O)(CN3CCOCC3)C2)cc1 ZINC000585274450 491720879 /nfs/dbraw/zinc/72/08/79/491720879.db2.gz XCSKZPYWGAPITE-FQEVSTJZSA-N 2 1 363.502 0.896 40 0 FCABMP CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H]([NH2+]C3Cc4ccccc4C3)[C@H]2O)CC1 ZINC000514289018 490769015 /nfs/dbraw/zinc/76/90/15/490769015.db2.gz MBWRIYQMQKKNJN-PCCBWWKXSA-N 2 1 373.497 0.426 40 0 biogenic,in-vitro FCABMP CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H]([NH2+]C3Cc4ccccc4C3)[C@H]2O)CC1 ZINC000514289018 490769018 /nfs/dbraw/zinc/76/90/18/490769018.db2.gz MBWRIYQMQKKNJN-PCCBWWKXSA-N 2 1 373.497 0.426 40 0 biogenic,in-vitro FCABMP CCc1[nH+]ccn1CC(=O)N1CC[C@H]2OC[C@@H]([NH2+]C)[C@](C)(O)C[C@H]2C1 ZINC000257277308 529759948 /nfs/dbraw/zinc/75/99/48/529759948.db2.gz NXJYAMOPHNRGLV-LUXYFRNMSA-N 2 1 350.463 0.422 40 0 FCABMP COC(=O)[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@H+](C2CCOCC2)C1 ZINC000257335119 533465879 /nfs/dbraw/zinc/46/58/79/533465879.db2.gz YISSFPDWPYEQKD-CQSZACIVSA-N 2 1 353.463 0.370 40 0 FCABMP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257243752 223035145 /nfs/dbraw/zinc/03/51/45/223035145.db2.gz IIKWJENYOIUQNE-IBGZPJMESA-N 2 1 351.491 0.547 40 0 FCABMP C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306127963 223108157 /nfs/dbraw/zinc/10/81/57/223108157.db2.gz GMELAXYYKPSLJB-UONOGXRCSA-N 2 1 374.514 0.935 40 0 FCABMP C[NH+]1CCC([NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 ZINC000585291443 491721729 /nfs/dbraw/zinc/72/17/29/491721729.db2.gz PGCUIYOCLUWMIX-QUCCMNQESA-N 2 1 361.486 0.237 40 0 FCABMP C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)CC1 ZINC000257285978 488525464 /nfs/dbraw/zinc/52/54/64/488525464.db2.gz PJPQXOPPGRNTBL-HXUWFJFHSA-N 2 1 363.502 0.632 40 0 FCABMP C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCCCO)cc3)C2)CC1 ZINC000257285978 488525466 /nfs/dbraw/zinc/52/54/66/488525466.db2.gz PJPQXOPPGRNTBL-HXUWFJFHSA-N 2 1 363.502 0.632 40 0 FCABMP C[NH+](C)CCn1cnc2nnc3ccc(C(=O)N4CC[NH+](C)CC4)cc3c21 ZINC000096264259 222105975 /nfs/dbraw/zinc/10/59/75/222105975.db2.gz CGHLDRFXFPLOOG-UHFFFAOYSA-N 2 1 367.457 0.929 40 0 FCABMP CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514288434 490768981 /nfs/dbraw/zinc/76/89/81/490768981.db2.gz FHPDAHAPKJUXPK-GBESFXJTSA-N 2 1 365.449 0.598 40 0 biogenic,in-vitro FCABMP CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]2O)CC1 ZINC000514288434 490768983 /nfs/dbraw/zinc/76/89/83/490768983.db2.gz FHPDAHAPKJUXPK-GBESFXJTSA-N 2 1 365.449 0.598 40 0 biogenic,in-vitro FCABMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000079432629 208088064 /nfs/dbraw/zinc/08/80/64/208088064.db2.gz LDMCUDWKBRSPED-INIZCTEOSA-N 2 1 351.495 0.467 40 0 FCABMP CN1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCC[C@@H](C(=O)NC2CC2)CC1=O ZINC000096113410 222031285 /nfs/dbraw/zinc/03/12/85/222031285.db2.gz YINUKWPPSQVGOZ-RHSMWYFYSA-N 2 1 350.507 0.966 40 0 biogenic,in-vitro FCABMP