smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000029563606 534916773 /nfs/dbraw/zinc/91/67/73/534916773.db2.gz VTGXFAHIBQKUMX-UHFFFAOYSA-N 1 1 352.438 2.435 1 0 FEAFMO CNC(=[NH2+])N[C@H](C)CCCC(=O)C=C(O)CCc1ccc(O)c(OC)c1 ZINC000085627191 291050086 /nfs/dbraw/zinc/05/00/86/291050086.db2.gz QFGPZIBQWYPDLH-CYBMUJFWSA-N 1 1 363.458 2.164 1 0 biogenic,in-vitro FEAFMO C[N@@H+](CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@]24CCO[C@]12CCC(=O)[C@@H]4O3 ZINC000045389838 205121533 /nfs/dbraw/zinc/12/15/33/205121533.db2.gz AFQDTMLOPHOESA-MBPVOVBZSA-N 1 1 355.434 2.180 1 0 in-vivo FEAFMO C[C@H](Cc1c(O)n(C)c(=O)n(C)c1=O)[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000103021653 222319276 /nfs/dbraw/zinc/31/92/76/222319276.db2.gz OSVWDXIDKQZVIQ-BZNIZROVSA-N 1 1 368.437 2.048 1 0 FEAFMO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COC[C@@H]2CC=CCC2)CC1 ZINC000020026348 526794820 /nfs/dbraw/zinc/79/48/20/526794820.db2.gz SDURUYRZFZLZBY-UYAOXDASSA-N 1 1 358.482 2.178 3 0 FEAFMO O=c1[nH]c2c(c3nc(-c4ccccn4)nn31)C[N@H+](Cc1ccccc1)CC2 ZINC000000575824 219305323 /nfs/dbraw/zinc/30/53/23/219305323.db2.gz ZNNAIZZYEAMYML-UHFFFAOYSA-N 1 1 358.405 2.038 1 0 FEAFMO O=c1[nH]c2c(c3nc(-c4ccccn4)nn31)C[N@@H+](Cc1ccccc1)CC2 ZINC000000575824 219305325 /nfs/dbraw/zinc/30/53/25/219305325.db2.gz ZNNAIZZYEAMYML-UHFFFAOYSA-N 1 1 358.405 2.038 1 0 FEAFMO COc1ccccc1C[N@H+]1CCCC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000003955816 204117292 /nfs/dbraw/zinc/11/72/92/204117292.db2.gz WPTBQDYXRJDOQD-UHFFFAOYSA-N 1 1 352.500 2.333 1 0 FEAFMO CC(=O)N1c2ccccc2[C@]23CC[N@@H+](C)C[C@H]4[C@H](C)OC[C@@H]([C@@H]12)[C@@H]4CC3=O ZINC000005574738 204216431 /nfs/dbraw/zinc/21/64/31/204216431.db2.gz FMZMLKGLGADCPQ-SYMKVRRDSA-N 1 1 368.477 2.235 1 0 FEAFMO COc1cc(OC)c(CNc2ccc3[nH+]c(N)nc(N)c3c2)c(OC)c1 ZINC000005888528 204229263 /nfs/dbraw/zinc/22/92/63/204229263.db2.gz IGTKNTAMQRRYRV-UHFFFAOYSA-N 1 1 355.398 2.432 1 0 FEAFMO C[NH+]1CCN(C(=O)c2cccc(-c3nc(-c4ccncc4)cnc3N)c2)CC1 ZINC000045371316 205121510 /nfs/dbraw/zinc/12/15/10/205121510.db2.gz FOLDZLCWADFPBP-UHFFFAOYSA-N 1 1 374.448 2.175 1 0 FEAFMO CC[N@H+]1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 ZINC000169320494 206250931 /nfs/dbraw/zinc/25/09/31/206250931.db2.gz BINQIJHLGNUKBW-CABCVRRESA-N 1 1 358.438 2.475 1 0 FEAFMO CC(C)(C)NC(=O)C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000045348837 132951812 /nfs/dbraw/zinc/95/18/12/132951812.db2.gz MTTJETAWQQLASD-UHFFFAOYSA-N 1 1 374.872 2.452 1 0 FEAFMO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCCc2ccccc21 ZINC000004410708 132386926 /nfs/dbraw/zinc/38/69/26/132386926.db2.gz GQDUBRJIZQZKDI-YQQQUEKLSA-N 1 1 355.482 2.487 3 0 FEAFMO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCCc2ccccc21 ZINC000004410708 132386927 /nfs/dbraw/zinc/38/69/27/132386927.db2.gz GQDUBRJIZQZKDI-YQQQUEKLSA-N 1 1 355.482 2.487 3 0 FEAFMO CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42 ZINC000085511392 291049464 /nfs/dbraw/zinc/04/94/64/291049464.db2.gz AUVZFRDLRJQTQF-NIAVFTRYSA-N 1 1 352.434 2.432 1 0 biogenic,in-vitro FEAFMO CCS(=O)(=O)N1CCC[C@H]2C[N@H+]3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21 ZINC000007999017 207216285 /nfs/dbraw/zinc/21/62/85/207216285.db2.gz UMGBFFAJXFXOIL-SNRMKQJTSA-N 1 1 364.511 2.428 1 0 FEAFMO CC(C)S(=O)(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(-c2cccnc2)cc1 ZINC000035900358 208138006 /nfs/dbraw/zinc/13/80/06/208138006.db2.gz MLSAGGODNSGYLO-MOPGFXCFSA-N 1 1 359.495 2.474 1 0 FEAFMO COC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(I)cc1 ZINC000036271642 208151102 /nfs/dbraw/zinc/15/11/02/208151102.db2.gz MXCAKGCIGZRYGJ-CHWSQXEVSA-N 1 1 359.207 2.500 1 0 FEAFMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ncc2c1c1ccccc1oc2=O ZINC000005034446 207075664 /nfs/dbraw/zinc/07/56/64/207075664.db2.gz OZPCBSFWSAVEKU-CQSZACIVSA-N 1 1 368.437 2.133 1 0 FEAFMO C[N@@H+](CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@@]2(CCO3)CC(=O)CC[C@@]12O ZINC000045365715 208330865 /nfs/dbraw/zinc/33/08/65/208330865.db2.gz DNHRXKRQWRVVFT-DUXKGJEZSA-N 1 1 357.450 2.163 1 0 FEAFMO C/C=C1\C[N@H+]2CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000014415850 291045578 /nfs/dbraw/zinc/04/55/78/291045578.db2.gz XLHUHYFKFFGUFE-ICUSHYPNSA-N 1 1 352.434 2.216 1 0 biogenic,in-vitro FEAFMO C/C=C1\C[N@@H+]2CC[C@@]34c5ccccc5N=C3[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000014415850 291045581 /nfs/dbraw/zinc/04/55/81/291045581.db2.gz XLHUHYFKFFGUFE-ICUSHYPNSA-N 1 1 352.434 2.216 1 0 biogenic,in-vitro FEAFMO C[C@H](Cc1c(O)n(C)c(=O)n(C)c1=O)[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000103021649 209245907 /nfs/dbraw/zinc/24/59/07/209245907.db2.gz OSVWDXIDKQZVIQ-BDJLRTHQSA-N 1 1 368.437 2.048 1 0 FEAFMO O=C(CN1CC[NH+](CCO)CC1)N1c2ccccc2Oc2ccccc21 ZINC000084409971 132198672 /nfs/dbraw/zinc/19/86/72/132198672.db2.gz SWGBEONZWWQJCG-UHFFFAOYSA-N 1 1 353.422 2.067 1 0 FEAFMO COc1c(O)ccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@]1(O)CCC(=O)C3 ZINC000036221223 208152520 /nfs/dbraw/zinc/15/25/20/208152520.db2.gz QOEVQPWLYUDAHW-DZFGPLHGSA-N 1 1 357.450 2.163 1 0 FEAFMO C[C@@]1(c2ccccc2)OC(=O)c2c1ccn(CCC[NH+]1CCOCC1)c2=O ZINC000096909302 209160763 /nfs/dbraw/zinc/16/07/63/209160763.db2.gz PZEXPPBWGXWSEG-NRFANRHFSA-N 1 1 368.433 2.005 1 0 FEAFMO COc1cc(CCCc2c[nH]c3nc(N)[nH+]c(N)c23)cc(OC)c1OC ZINC000038214750 208200782 /nfs/dbraw/zinc/20/07/82/208200782.db2.gz LBMNCCGEGLXNGB-UHFFFAOYSA-N 1 1 357.414 2.323 1 0 FEAFMO O=C1c2ccccc2CCCN1CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000040411560 136119788 /nfs/dbraw/zinc/11/97/88/136119788.db2.gz LCBAQBQSRJBWCB-UHFFFAOYSA-N 1 1 365.481 2.077 1 0 FEAFMO C[C@@H](Cc1c(O)n(C)c(=O)n(C)c1=O)[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000103021651 209245626 /nfs/dbraw/zinc/24/56/26/209245626.db2.gz OSVWDXIDKQZVIQ-ZBEGNZNMSA-N 1 1 368.437 2.048 1 0 FEAFMO Oc1ccc2c3c1O[C@H]1c4[nH]ccc4C[C@@]4(O)[C@H](C2)[N@@H+](CC2CC2)CC[C@@]314 ZINC000040440093 208255705 /nfs/dbraw/zinc/25/57/05/208255705.db2.gz AVZPNFQSUXLGJJ-FBEWHJACSA-N 1 1 364.445 2.419 1 0 FEAFMO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COC[C@H]2CC=CCC2)CC1 ZINC000020026344 526794615 /nfs/dbraw/zinc/79/46/15/526794615.db2.gz SDURUYRZFZLZBY-AZUAARDMSA-N 1 1 358.482 2.178 3 0 FEAFMO CC(=O)N1c2ccccc2[C@]23CC[N@@H+](C)C[C@H]4[C@H](C)OC[C@H]([C@@H]12)[C@@H]4CC3=O ZINC000014717945 211099152 /nfs/dbraw/zinc/09/91/52/211099152.db2.gz FMZMLKGLGADCPQ-YJVSXPJCSA-N 1 1 368.477 2.235 1 0 FEAFMO CN1CC[NH+](CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000022930400 211372166 /nfs/dbraw/zinc/37/21/66/211372166.db2.gz VPELVPDSELHKHY-UHFFFAOYSA-N 1 1 359.495 2.376 1 0 FEAFMO COc1ccc(-n2ncnn2)cc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1 ZINC000022938182 211372216 /nfs/dbraw/zinc/37/22/16/211372216.db2.gz ASUKIWYLLAJHAW-ICSRJNTNSA-N 1 1 364.453 2.254 1 0 FEAFMO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)COC[C@@H]2CC=CCC2)CC1 ZINC000020026350 526794077 /nfs/dbraw/zinc/79/40/77/526794077.db2.gz SDURUYRZFZLZBY-QUCCMNQESA-N 1 1 358.482 2.178 3 0 FEAFMO CCCNC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000061928724 212028386 /nfs/dbraw/zinc/02/83/86/212028386.db2.gz JICRRMKQNCPJKU-GOSISDBHSA-N 1 1 352.500 2.007 3 0 FEAFMO CCCNC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000061928724 212028389 /nfs/dbraw/zinc/02/83/89/212028389.db2.gz JICRRMKQNCPJKU-GOSISDBHSA-N 1 1 352.500 2.007 3 0 FEAFMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531203 211286680 /nfs/dbraw/zinc/28/66/80/211286680.db2.gz GFGHSLUXGSCAIH-HXUWFJFHSA-N 1 1 363.461 2.028 1 0 FEAFMO CN(C)C(=O)C[S@@](=O)C[C@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584879 211041560 /nfs/dbraw/zinc/04/15/60/211041560.db2.gz MHTHGYXELORNEW-GTAYFMOCSA-N 1 1 356.919 2.212 1 0 FEAFMO C[NH+]1CCN([C@H](c2nnnn2Cc2cccs2)c2ccc(F)cc2)CC1 ZINC000019589877 211237918 /nfs/dbraw/zinc/23/79/18/211237918.db2.gz IMCUMTUBEIVFBN-KRWDZBQOSA-N 1 1 372.473 2.259 3 0 FEAFMO CN1CCN(c2nc3c(c(Nc4ccc(F)cc4)n2)CC[N@@H+](C)CC3)CC1 ZINC000096928126 132226566 /nfs/dbraw/zinc/22/65/66/132226566.db2.gz YKQFMPGEPKMDFN-UHFFFAOYSA-N 1 1 370.476 2.142 1 0 FEAFMO Fc1ccc(Cn2nnc(-c3ccc(C[NH+]4CCOCC4)cc3)n2)cc1 ZINC000019335031 220251354 /nfs/dbraw/zinc/25/13/54/220251354.db2.gz JYUWYMRQYDRUPM-UHFFFAOYSA-N 1 1 353.401 2.360 3 0 FEAFMO O=C(NCCC[NH+]1CCOCC1)Nc1noc2c1COc1ccccc1-2 ZINC000020509185 220331700 /nfs/dbraw/zinc/33/17/00/220331700.db2.gz RJRBFLXWCWAHMG-UHFFFAOYSA-N 1 1 358.398 2.078 1 0 FEAFMO COC(=O)[C@@H]1C[C@]23CCC[N@H+]4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 ZINC000017353449 220215601 /nfs/dbraw/zinc/21/56/01/220215601.db2.gz XGYZDZNXCXHGBV-XSXWSVAESA-N 1 1 366.461 2.481 1 0 FEAFMO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@](C)(C(=O)NCCOC)C2)cc1 ZINC000061926409 221137134 /nfs/dbraw/zinc/13/71/34/221137134.db2.gz BAUBHBLQCFFKEL-HXUWFJFHSA-N 1 1 362.470 2.228 3 0 FEAFMO CC[NH+]1CCN(C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O)CC1 ZINC000020466850 220327879 /nfs/dbraw/zinc/32/78/79/220327879.db2.gz WTVNRPRURACHLV-UHFFFAOYSA-N 1 1 370.478 2.084 3 0 FEAFMO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@@H]4[C@H](C2)[N@H+](C)CC[C@@]314 ZINC000029249470 220596796 /nfs/dbraw/zinc/59/67/96/220596796.db2.gz BTDCAZOVYZIULV-DRMXQZSWSA-N 1 1 373.493 2.112 1 0 FEAFMO CC(=O)N1c2ccccc2[C@]23CC[N@@H+](C)C[C@H]4[C@@H](C)OC[C@H]([C@@H]12)[C@@H]4CC3=O ZINC000014717946 220130949 /nfs/dbraw/zinc/13/09/49/220130949.db2.gz FMZMLKGLGADCPQ-MOWGJFSGSA-N 1 1 368.477 2.235 1 0 FEAFMO COC(=O)c1cc2c(cc1OC)CC[N@H+]1CCC3=C[C@@H]4OCO[C@@H]4C[C@]321 ZINC000034960769 220770020 /nfs/dbraw/zinc/77/00/20/220770020.db2.gz WVGKKVOLNYNBFM-NSHGMRRFSA-N 1 1 357.406 2.011 1 0 FEAFMO CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C)[C@@H](O5)[C@@H]1O ZINC000058482399 221121044 /nfs/dbraw/zinc/12/10/44/221121044.db2.gz BYBAPAFOQSJYFM-QJEIGEPZSA-N 1 1 373.493 2.201 1 0 FEAFMO Nc1[nH+]cnc2c1ccn2[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000061905752 221136930 /nfs/dbraw/zinc/13/69/30/221136930.db2.gz ZCKYRAQAOTZOMQ-GOEBONIOSA-N 1 1 373.844 2.059 3 0 FEAFMO CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42 ZINC000085511390 291049470 /nfs/dbraw/zinc/04/94/70/291049470.db2.gz AUVZFRDLRJQTQF-ZIKUCTJESA-N 1 1 352.434 2.432 1 0 biogenic,in-vitro FEAFMO CC(=O)N1c2ccccc2[C@]23CC[N@@H+](C)C[C@H]4[C@@H](C)OC[C@@H]([C@@H]12)[C@@H]4CC3=O ZINC000005574736 204215653 /nfs/dbraw/zinc/21/56/53/204215653.db2.gz FMZMLKGLGADCPQ-QLYBYCFQSA-N 1 1 368.477 2.235 1 0 FEAFMO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(c3nccc(OC)n3)CC2)[C@H]1O ZINC000023214625 136152486 /nfs/dbraw/zinc/15/24/86/136152486.db2.gz SPEHZCYECURTDE-MOPGFXCFSA-N 1 1 368.481 2.391 1 0 FEAFMO CC(C)CC[N@@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743354 581097909 /nfs/dbraw/zinc/09/79/09/581097909.db2.gz NZJUQOAVHJUPHZ-UHFFFAOYSA-N 1 1 366.259 2.383 1 0 FEAFMO CC(C)CC[N@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743354 581097910 /nfs/dbraw/zinc/09/79/10/581097910.db2.gz NZJUQOAVHJUPHZ-UHFFFAOYSA-N 1 1 366.259 2.383 1 0 FEAFMO CC(=O)NC(=S)NC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000036187744 205006609 /nfs/dbraw/zinc/00/66/09/205006609.db2.gz VNRVWDFBQJATNK-XGWLTEMNSA-N 1 1 356.495 2.139 1 0 FEAFMO Cc1ccccc1-n1c2nnc(N3CC[NH+](C)CC3)n2c2ccccc2c1=O ZINC000040847067 205082779 /nfs/dbraw/zinc/08/27/79/205082779.db2.gz MUOKGAXTJZBWSA-UHFFFAOYSA-N 1 1 374.448 2.094 1 0 FEAFMO C[C@H]1c2c3cc(NCS(N)(=O)=O)ccc3[nH]c2C[C@@H]2CC[N@H+](C)C[C@@H]12 ZINC000169373662 206255498 /nfs/dbraw/zinc/25/54/98/206255498.db2.gz BVICSNQLCGMLKS-XUJVJEKNSA-N 1 1 362.499 2.053 1 0 FEAFMO C[C@@]12c3ccc4c(c3C[NH2+][C@@H]1c1cc3c(cc1C[C@H]2O)OCO3)OCO4 ZINC000085509395 291053308 /nfs/dbraw/zinc/05/33/08/291053308.db2.gz URURFJJXWHZUAJ-RLLQIKCJSA-N 1 1 353.374 2.163 1 0 biogenic,in-vitro FEAFMO Cc1ccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)cc1C ZINC000006808275 204272498 /nfs/dbraw/zinc/27/24/98/204272498.db2.gz HEPUHFJOMJMRAT-UHFFFAOYSA-N 1 1 352.442 2.388 1 0 FEAFMO CC(O)=C1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@@H](O5)C1=O ZINC000195069633 206329812 /nfs/dbraw/zinc/32/98/12/206329812.db2.gz OKPZZQOOGVTTIF-VTEXIKTKSA-N 1 1 367.445 2.226 1 0 FEAFMO CC(=O)C1=C(O)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[C@@H](C1)[C@]42CC[N@@H+]3CC1CC1 ZINC000195069633 206329814 /nfs/dbraw/zinc/32/98/14/206329814.db2.gz OKPZZQOOGVTTIF-VTEXIKTKSA-N 1 1 367.445 2.226 1 0 FEAFMO CC(=O)C1=C(O)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[C@@H](C1)[C@]42CC[N@H+]3CC1CC1 ZINC000195069633 206329816 /nfs/dbraw/zinc/32/98/16/206329816.db2.gz OKPZZQOOGVTTIF-VTEXIKTKSA-N 1 1 367.445 2.226 1 0 FEAFMO Cc1nn(C)c2nc3ccccc3c(NCCCN3CC[NH+](C)CC3)c12 ZINC000169330177 206252690 /nfs/dbraw/zinc/25/26/90/206252690.db2.gz LKCJOXKQVYOHPO-UHFFFAOYSA-N 1 1 352.486 2.479 1 0 FEAFMO CC[C@H](C)[N@@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743353 581099230 /nfs/dbraw/zinc/09/92/30/581099230.db2.gz JLUIVZIFGHVQKL-QMMMGPOBSA-N 1 1 352.232 2.136 1 0 FEAFMO CC[C@H](C)[N@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743353 581099231 /nfs/dbraw/zinc/09/92/31/581099231.db2.gz JLUIVZIFGHVQKL-QMMMGPOBSA-N 1 1 352.232 2.136 1 0 FEAFMO NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000038248875 205039565 /nfs/dbraw/zinc/03/95/65/205039565.db2.gz XMMYBZHHAZNWDZ-TYCQWZJGSA-N 1 1 356.466 2.074 1 0 FEAFMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 ZINC000045366423 205121722 /nfs/dbraw/zinc/12/17/22/205121722.db2.gz MUALPBWISBWOSS-KRWDZBQOSA-N 1 1 363.421 2.157 1 0 FEAFMO Nc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc(N)n1 ZINC000095596750 132216028 /nfs/dbraw/zinc/21/60/28/132216028.db2.gz YBCWQZMABMTZBT-UHFFFAOYSA-N 1 1 355.833 2.169 1 0 FEAFMO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000053173711 136124701 /nfs/dbraw/zinc/12/47/01/136124701.db2.gz WSDSZDLXVSONQT-UHFFFAOYSA-N 1 1 353.397 2.244 1 0 FEAFMO CC[C@@H](C)[N@@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743352 581099084 /nfs/dbraw/zinc/09/90/84/581099084.db2.gz JLUIVZIFGHVQKL-MRVPVSSYSA-N 1 1 352.232 2.136 1 0 FEAFMO CC[C@@H](C)[N@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743352 581099085 /nfs/dbraw/zinc/09/90/85/581099085.db2.gz JLUIVZIFGHVQKL-MRVPVSSYSA-N 1 1 352.232 2.136 1 0 FEAFMO CCCC(=O)O[C@@H]1[C@@H](O)C=C2CC[N@H+]3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000040933188 205085654 /nfs/dbraw/zinc/08/56/54/205085654.db2.gz HSXFFYXJBILABT-VVHHDAOASA-N 1 1 357.406 2.100 1 0 FEAFMO CC(=O)N1c2ccccc2[C@]23CC[N@@H+](C)[C@H]2C[C@H]2[C@H](CO)[C@@H](C)OC[C@H]2[C@H]13 ZINC000095913423 291048312 /nfs/dbraw/zinc/04/83/12/291048312.db2.gz JZPZTBRHWIWFEK-XSBRVDMRSA-N 1 1 370.493 2.027 1 0 biogenic,in-vitro FEAFMO COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@H+]2C[C@H]([C@@H](C)CO)[C@@H]1C[C@H]23 ZINC000085504724 291050073 /nfs/dbraw/zinc/05/00/73/291050073.db2.gz XHXATGWZFXQDLS-AXMCJZEVSA-N 1 1 354.450 2.129 1 0 biogenic,in-vitro FEAFMO CC[NH+](CC)c1ccc(Nc2snc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000641770 209371673 /nfs/dbraw/zinc/37/16/73/209371673.db2.gz DYEGVJQVOMESDE-UHFFFAOYSA-N 1 1 359.455 2.284 1 0 FEAFMO C[NH+]1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000036288988 208152257 /nfs/dbraw/zinc/15/22/57/208152257.db2.gz RYIVUUNQOYFPOH-UHFFFAOYSA-N 1 1 350.422 2.164 1 0 FEAFMO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(O)c(F)c1 ZINC000095571757 209080032 /nfs/dbraw/zinc/08/00/32/209080032.db2.gz RWGCYZQZMFBNFU-PKOBYXMFSA-N 1 1 355.413 2.362 1 0 FEAFMO CCc1cc(OC)c(OC)c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1OC ZINC000034343056 208105943 /nfs/dbraw/zinc/10/59/43/208105943.db2.gz CNYFTYULLUBARK-CQSZACIVSA-N 1 1 350.459 2.489 1 0 FEAFMO C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)C1=O ZINC000058622563 208587046 /nfs/dbraw/zinc/58/70/46/208587046.db2.gz VHCBVNYAJHXYLS-RFZSNADRSA-N 1 1 369.461 2.162 1 0 FEAFMO [NH2+]=C1N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1O[C@H]1CCOC[C@@H]12 ZINC000103253330 209251145 /nfs/dbraw/zinc/25/11/45/209251145.db2.gz FECKRAVCIHUDOA-QOKNQOGYSA-N 1 1 355.369 2.225 1 0 FEAFMO CC(C)N1CCN(C(=O)C2CC3(C2)CC[NH+](C2CCOCC2)CC3)CC1 ZINC000103243047 209249069 /nfs/dbraw/zinc/24/90/69/209249069.db2.gz LKVKSLVRHQVHAX-UHFFFAOYSA-N 1 1 363.546 2.210 1 0 FEAFMO [NH2+]=C1N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1O[C@@H]1CCOC[C@H]12 ZINC000103253332 209250866 /nfs/dbraw/zinc/25/08/66/209250866.db2.gz FECKRAVCIHUDOA-OGWOLHLISA-N 1 1 355.369 2.225 1 0 FEAFMO CCOC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4cc5c(cc4[C@@H]3C[C@@H]21)OCO5 ZINC000028765247 207972599 /nfs/dbraw/zinc/97/25/99/207972599.db2.gz LAEXASCTDHUYIT-SDKGRYJGSA-N 1 1 373.449 2.285 1 0 FEAFMO C[C@H]1C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)C1=O ZINC000029237639 207986553 /nfs/dbraw/zinc/98/65/53/207986553.db2.gz VHCBVNYAJHXYLS-MMMFKJAFSA-N 1 1 369.461 2.162 1 0 FEAFMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 ZINC000095577232 209082522 /nfs/dbraw/zinc/08/25/22/209082522.db2.gz USLJYMUSNAVLMJ-MRXNPFEDSA-N 1 1 352.442 2.170 1 0 FEAFMO CC(C)CC(=O)N1CC[C@H]2[N@@H+](C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 ZINC000096263614 209147772 /nfs/dbraw/zinc/14/77/72/209147772.db2.gz LBGAMTSROSFKOF-YLJYHZDGSA-N 1 1 358.486 2.379 1 0 FEAFMO C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000038444251 208201037 /nfs/dbraw/zinc/20/10/37/208201037.db2.gz XLWYJSMYNALODL-ZENOOKHLSA-N 1 1 355.442 2.000 1 0 FEAFMO CCOc1cc(Cc2c[nH+]c(N)nc2N)cc(Br)c1OC ZINC000045201674 208327828 /nfs/dbraw/zinc/32/78/28/208327828.db2.gz KWQYEMKIHFIPGW-UHFFFAOYSA-N 1 1 353.220 2.402 1 0 FEAFMO C[NH+]1CCN(C(=O)Cn2c(=N)scc2-c2ccc(Cl)cc2)CC1 ZINC000101703909 209228949 /nfs/dbraw/zinc/22/89/49/209228949.db2.gz AXKCLMARXPEYOI-UHFFFAOYSA-N 1 1 350.875 2.123 1 0 FEAFMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(Br)ccc(O)c1OC ZINC000064453468 212039161 /nfs/dbraw/zinc/03/91/61/212039161.db2.gz OFDBZTWNYSKFOY-JTQLQIEISA-N 1 1 357.248 2.377 1 0 FEAFMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000102438339 222296238 /nfs/dbraw/zinc/29/62/38/222296238.db2.gz MOCSHRYIFPSNFO-OAHLLOKOSA-N 1 1 372.469 2.093 3 0 FEAFMO C[C@@]1(O)C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)C[N@@H+](CCO)[C@@H]5[C@H]2C[C@H]1C[C@H]36 ZINC000095918719 291053318 /nfs/dbraw/zinc/05/33/18/291053318.db2.gz VECNWVPULQDULP-MLTVLEHFSA-N 1 1 359.510 2.226 1 0 biogenic,in-vitro FEAFMO C[C@]1(c2ccccc2)OC(=O)c2c1ccn(CCC[NH+]1CCOCC1)c2=O ZINC000096909303 222138182 /nfs/dbraw/zinc/13/81/82/222138182.db2.gz PZEXPPBWGXWSEG-OAQYLSRUSA-N 1 1 368.433 2.005 1 0 FEAFMO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)COC[C@H]2CC=CCC2)CC1 ZINC000020026346 526794656 /nfs/dbraw/zinc/79/46/56/526794656.db2.gz SDURUYRZFZLZBY-ICSRJNTNSA-N 1 1 358.482 2.178 3 0 FEAFMO CC[C@H](C)C[N@@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743356 211056193 /nfs/dbraw/zinc/05/61/93/211056193.db2.gz YZNGBSJDRHHBLM-VIFPVBQESA-N 1 1 366.259 2.383 1 0 FEAFMO CC[C@H](C)C[N@H+]1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743356 211056199 /nfs/dbraw/zinc/05/61/99/211056199.db2.gz YZNGBSJDRHHBLM-VIFPVBQESA-N 1 1 366.259 2.383 1 0 FEAFMO O=c1oc2ccc(Cl)cc2n1CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000103167708 132236877 /nfs/dbraw/zinc/23/68/77/132236877.db2.gz GXZQHECHPJIHLZ-UHFFFAOYSA-N 1 1 373.844 2.250 1 0 FEAFMO C[NH+]1CCN(C(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)CC1 ZINC000064732298 212043241 /nfs/dbraw/zinc/04/32/41/212043241.db2.gz AKGYWGNYGVVPGN-UHFFFAOYSA-N 1 1 353.447 2.440 1 0 FEAFMO NC(=O)c1cccc2nc(-c3cccc(NCC[NH+]4CCCC4)n3)[nH]c21 ZINC000063540131 212032638 /nfs/dbraw/zinc/03/26/38/212032638.db2.gz MEEDWVBLFZVSIA-UHFFFAOYSA-N 1 1 350.426 2.232 1 0 FEAFMO COC(=O)[C@H]1C[C@]23CCC[N@H+]4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 ZINC000017353450 211185160 /nfs/dbraw/zinc/18/51/60/211185160.db2.gz XGYZDZNXCXHGBV-RESYIPQXSA-N 1 1 366.461 2.481 1 0 FEAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(NC[C@H]3C[N@H+](C)CCO3)c2c1 ZINC000073167792 221560920 /nfs/dbraw/zinc/56/09/20/221560920.db2.gz WRGKRLZCNHYJOI-AWEZNQCLSA-N 1 1 355.442 2.479 1 0 FEAFMO COc1cc(C)c2nc3n[nH]c(C)c3c(NC[C@H]3C[N@@H+](C)CCO3)c2c1 ZINC000073167792 221560924 /nfs/dbraw/zinc/56/09/24/221560924.db2.gz WRGKRLZCNHYJOI-AWEZNQCLSA-N 1 1 355.442 2.479 1 0 FEAFMO COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4C[N@H+]5CC[C@]26[C@@H]5C[C@@H]4[C@@H]3[C@H]16 ZINC000004887026 560200192 /nfs/dbraw/zinc/20/01/92/560200192.db2.gz CAPUGADOGHKUQS-JPPAUQSISA-N 1 1 364.445 2.101 1 0 biogenic,in-vitro FEAFMO COc1ccc2c(c1OC)[C@@]13CC[N@H+](C)[C@@]14C[C@@H]2O[C@@]4(O)C(OC)=CC3 ZINC000085531658 291050770 /nfs/dbraw/zinc/05/07/70/291050770.db2.gz AKMIHNAUTMLDGR-WBCYEJBOSA-N 1 1 359.422 2.114 1 0 biogenic,in-vitro FEAFMO CN(C)C(=O)C[S@](=O)C[C@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584880 220076836 /nfs/dbraw/zinc/07/68/36/220076836.db2.gz MHTHGYXELORNEW-SWHMAYCHSA-N 1 1 356.919 2.212 1 0 FEAFMO O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000038156634 136118624 /nfs/dbraw/zinc/11/86/24/136118624.db2.gz YQRZGAQHXYANNE-FCHUYYIVSA-N 1 1 351.494 2.444 1 0 FEAFMO O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000038156634 136118625 /nfs/dbraw/zinc/11/86/25/136118625.db2.gz YQRZGAQHXYANNE-FCHUYYIVSA-N 1 1 351.494 2.444 1 0 FEAFMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531204 220330588 /nfs/dbraw/zinc/33/05/88/220330588.db2.gz GFGHSLUXGSCAIH-FQEVSTJZSA-N 1 1 363.461 2.028 1 0 FEAFMO O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000058558562 136131965 /nfs/dbraw/zinc/13/19/65/136131965.db2.gz YQRZGAQHXYANNE-VXKWHMMOSA-N 1 1 351.494 2.444 1 0 FEAFMO O[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000058558562 136131966 /nfs/dbraw/zinc/13/19/66/136131966.db2.gz YQRZGAQHXYANNE-VXKWHMMOSA-N 1 1 351.494 2.444 1 0 FEAFMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000102438341 222297281 /nfs/dbraw/zinc/29/72/81/222297281.db2.gz MOCSHRYIFPSNFO-HNNXBMFYSA-N 1 1 372.469 2.093 3 0 FEAFMO COc1ccc2c(c1)[C@@]13CC[N@@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000004805016 560200155 /nfs/dbraw/zinc/20/01/55/560200155.db2.gz ZTHVHELPCLGXHF-JPPAUQSISA-N 1 1 364.445 2.101 1 0 biogenic,in-vitro FEAFMO CSCCOC(=O)N1CCC2(CC1)NC(=[NH2+])c1c(F)cccc1N2 ZINC000013493550 220070255 /nfs/dbraw/zinc/07/02/55/220070255.db2.gz IFZDZYMEXBLWFK-UHFFFAOYSA-N 1 1 352.435 2.248 1 0 FEAFMO CN(CCC[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)sc21)c1ccccc1 ZINC000058604030 221122026 /nfs/dbraw/zinc/12/20/26/221122026.db2.gz FFXDJXODGVHMNL-INIZCTEOSA-N 1 1 373.478 2.445 1 0 FEAFMO C[C@@H](Cc1c(O)n(C)c(=O)n(C)c1=O)[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000103021647 222319243 /nfs/dbraw/zinc/31/92/43/222319243.db2.gz OSVWDXIDKQZVIQ-MEDUHNTESA-N 1 1 368.437 2.048 1 0 FEAFMO