smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cn(CCNC(=O)CN2CCOC2=O)c1C ZINC000217350392 351947204 /nfs/dbraw/zinc/94/72/04/351947204.db2.gz VJHNFEPVIFRACO-UHFFFAOYSA-N 1 1 266.301 0.068 50 70 CCIAMO NC(=O)CC[NH+]1CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000217424592 351947792 /nfs/dbraw/zinc/94/77/92/351947792.db2.gz NHPLNROMGGNYMZ-UHFFFAOYSA-N 1 1 295.314 0.165 50 70 CCIAMO c1n[nH]cc1-c1nc2c([nH]1)CN(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000217381188 351948056 /nfs/dbraw/zinc/94/80/56/351948056.db2.gz IZVSZNIEPVLLKJ-GDNZZTSVSA-N 1 1 284.367 0.623 50 70 CCIAMO Cc1cc(C)c(CNC(=O)CN2CCC[N@H+](C)CC2)cn1 ZINC000218078962 256891507 /nfs/dbraw/zinc/89/15/07/256891507.db2.gz YEYUIAIKQKRLGP-UHFFFAOYSA-N 1 1 290.411 0.952 50 70 CCIAMO CC(C)C[N@H+]1CCN(Cc2cnc(N)nc2)C[C@@H](O)C1 ZINC000216929231 389133970 /nfs/dbraw/zinc/13/39/70/389133970.db2.gz XPZBYCGLEZEIPI-ZDUSSCGKSA-N 1 1 279.388 0.193 50 70 CCIAMO Cn1nccc1CCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000216996421 351943975 /nfs/dbraw/zinc/94/39/75/351943975.db2.gz FRRONAWTGCYRBY-LLVKDONJSA-N 1 1 250.346 0.421 50 70 CCIAMO C[NH+](C)Cc1cncc(N2CCn3nc(CO)cc3C2)n1 ZINC000217179130 351944585 /nfs/dbraw/zinc/94/45/85/351944585.db2.gz AWXFBVPOYBTFHM-UHFFFAOYSA-N 1 1 288.355 0.247 50 70 CCIAMO CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000217170958 351945234 /nfs/dbraw/zinc/94/52/34/351945234.db2.gz HQDZOJHAGNAEHU-AWEZNQCLSA-N 1 1 291.399 0.513 50 70 CCIAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCc1cccc(O)c1 ZINC000217626674 351949100 /nfs/dbraw/zinc/94/91/00/351949100.db2.gz ZDYKLSFIAWTSCH-AWEZNQCLSA-N 1 1 291.395 0.687 50 70 CCIAMO CCc1[nH+]ccn1CCN1CCn2nc(CO)cc2C1 ZINC000217882068 351951730 /nfs/dbraw/zinc/95/17/30/351951730.db2.gz UXVLSGKUYXYPOP-UHFFFAOYSA-N 1 1 275.356 0.650 50 70 CCIAMO CSc1ncc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)cn1 ZINC000218495514 351959009 /nfs/dbraw/zinc/95/90/09/351959009.db2.gz CXISYNZEVUTZCW-JTQLQIEISA-N 1 1 296.396 0.507 50 70 CCIAMO OCc1cc2n(n1)CCC[N@H+](Cc1cnn3cccnc13)C2 ZINC000217196667 351945696 /nfs/dbraw/zinc/94/56/96/351945696.db2.gz GIOGXFKAXRLURH-UHFFFAOYSA-N 1 1 298.350 0.824 50 70 CCIAMO OCc1cc2n(n1)CCC[N@@H+](Cc1cnn3cccnc13)C2 ZINC000217196667 351945698 /nfs/dbraw/zinc/94/56/98/351945698.db2.gz GIOGXFKAXRLURH-UHFFFAOYSA-N 1 1 298.350 0.824 50 70 CCIAMO Nc1cccc(C(=O)N2CC[NH+](CCCCO)CC2)n1 ZINC000217986471 351952776 /nfs/dbraw/zinc/95/27/76/351952776.db2.gz UVRLZWSGGFGVLR-UHFFFAOYSA-N 1 1 278.356 0.194 50 70 CCIAMO CCc1nccn1CCC(=O)N[C@H]1C[N@H+](CC)C[C@@H]1OC ZINC000218496837 351958978 /nfs/dbraw/zinc/95/89/78/351958978.db2.gz GTKOFPIQIOOBQJ-STQMWFEESA-N 1 1 294.399 0.671 50 70 CCIAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)NCCc1ccnn1C ZINC000217213749 351946097 /nfs/dbraw/zinc/94/60/97/351946097.db2.gz BUBBNFFNEXUECR-LBPRGKRZSA-N 1 1 276.344 0.119 50 70 CCIAMO Cc1nccc(N2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)n1 ZINC000217957919 351952668 /nfs/dbraw/zinc/95/26/68/351952668.db2.gz FMLLKAYRXSOAOB-CQSZACIVSA-N 1 1 292.383 0.447 50 70 CCIAMO [NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000218231105 351956128 /nfs/dbraw/zinc/95/61/28/351956128.db2.gz HOPHHGINBUOFHZ-MWKLQFHZSA-N 1 1 272.308 0.407 50 70 CCIAMO C[C@H](O)c1cc2n(n1)CCC[N@@H+](CCn1cncn1)C2 ZINC000217460703 351948252 /nfs/dbraw/zinc/94/82/52/351948252.db2.gz NQIQKDLRNUAYKL-NSHDSACASA-N 1 1 276.344 0.434 50 70 CCIAMO CSc1ncc(C(=O)NC[C@H]2COCC[N@@H+](C)C2)cn1 ZINC000218495594 351959310 /nfs/dbraw/zinc/95/93/10/351959310.db2.gz CXISYNZEVUTZCW-SNVBAGLBSA-N 1 1 296.396 0.507 50 70 CCIAMO Cn1nccc1CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000216996431 351944085 /nfs/dbraw/zinc/94/40/85/351944085.db2.gz FRRONAWTGCYRBY-NSHDSACASA-N 1 1 250.346 0.421 50 70 CCIAMO Cc1[nH+]cn(CC(=O)N2CCC[C@@](O)(CO)CC2)c1C ZINC000218532673 351960268 /nfs/dbraw/zinc/96/02/68/351960268.db2.gz IRIQOGLMRNUFQT-AWEZNQCLSA-N 1 1 281.356 0.236 50 70 CCIAMO O=C(NCC[NH+]1CCC(O)CC1)C(=O)c1ccco1 ZINC000217136639 351945394 /nfs/dbraw/zinc/94/53/94/351945394.db2.gz MUSFRGSZJDTANR-UHFFFAOYSA-N 1 1 266.297 0.035 50 70 CCIAMO Cc1cc(=O)cc(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)o1 ZINC000218127809 351955124 /nfs/dbraw/zinc/95/51/24/351955124.db2.gz WBNAZFCWJRUICD-LBPRGKRZSA-N 1 1 294.351 0.382 50 70 CCIAMO Cc1n[nH]cc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000218708091 351960837 /nfs/dbraw/zinc/96/08/37/351960837.db2.gz KIMJZGJKVBPOMC-GFCCVEGCSA-N 1 1 266.345 0.133 50 70 CCIAMO Cc1n[nH]cc1CN(C)C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000218708091 351960842 /nfs/dbraw/zinc/96/08/42/351960842.db2.gz KIMJZGJKVBPOMC-GFCCVEGCSA-N 1 1 266.345 0.133 50 70 CCIAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000218738579 351961018 /nfs/dbraw/zinc/96/10/18/351961018.db2.gz QNJDEGQWAJSSDQ-FZMZJTMJSA-N 1 1 292.335 0.864 50 70 CCIAMO C[C@H](CC(=O)N1CCc2n[nH]cc2C1)[NH+]1CCOCC1 ZINC000218122979 351955363 /nfs/dbraw/zinc/95/53/63/351955363.db2.gz NRZRBQBMQJRHDR-LLVKDONJSA-N 1 1 278.356 0.405 50 70 CCIAMO Cc1cc(CNC(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)no1 ZINC000218074980 351954263 /nfs/dbraw/zinc/95/42/63/351954263.db2.gz NFAJYMVWTAIJMW-CYBMUJFWSA-N 1 1 280.372 0.625 50 70 CCIAMO Cc1cc(CNC(=O)CCN(C)[C@@H]2CC[N@H+](C)C2)no1 ZINC000218074980 351954266 /nfs/dbraw/zinc/95/42/66/351954266.db2.gz NFAJYMVWTAIJMW-CYBMUJFWSA-N 1 1 280.372 0.625 50 70 CCIAMO Cc1cc(CNC(=O)CCN(C)[C@@H]2CC[N@@H+](C)C2)no1 ZINC000218074980 351954269 /nfs/dbraw/zinc/95/42/69/351954269.db2.gz NFAJYMVWTAIJMW-CYBMUJFWSA-N 1 1 280.372 0.625 50 70 CCIAMO C[N@H+]1CCCN(CC(=O)NCCc2cscn2)CC1 ZINC000218567870 351959740 /nfs/dbraw/zinc/95/97/40/351959740.db2.gz VJVZMWXLAQWNSO-UHFFFAOYSA-N 1 1 282.413 0.439 50 70 CCIAMO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2[nH]nnc2c1 ZINC000217054547 351944985 /nfs/dbraw/zinc/94/49/85/351944985.db2.gz CXAAVQFOXGJBEC-IUCAKERBSA-N 1 1 263.276 0.388 50 70 CCIAMO Cc1cc(C)c(CNC(=O)C[N@@H+]2CCC[C@@H](O)C2)cn1 ZINC000218477195 351959090 /nfs/dbraw/zinc/95/90/90/351959090.db2.gz NYUSDLQQGBXLLS-CQSZACIVSA-N 1 1 277.368 0.771 50 70 CCIAMO Cc1cc(C)c(CNC(=O)C[N@H+]2CCC[C@@H](O)C2)cn1 ZINC000218477195 351959092 /nfs/dbraw/zinc/95/90/92/351959092.db2.gz NYUSDLQQGBXLLS-CQSZACIVSA-N 1 1 277.368 0.771 50 70 CCIAMO CN1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1(C)C ZINC000218585596 277112374 /nfs/dbraw/zinc/11/23/74/277112374.db2.gz GMAZGJVOKVLSOF-UHFFFAOYSA-N 1 1 290.415 0.794 50 70 CCIAMO O=C(NCc1ccccc1OCCO)[C@@H]1CSC[NH2+]1 ZINC000161248370 350716527 /nfs/dbraw/zinc/71/65/27/350716527.db2.gz CQOHDAXIFOHYKF-NSHDSACASA-N 1 1 282.365 0.336 50 70 CCIAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)c2cccc(N)n2)C1 ZINC000217015452 351944265 /nfs/dbraw/zinc/94/42/65/351944265.db2.gz VLYXAJBLOKNCGM-LBPRGKRZSA-N 1 1 292.383 0.704 50 70 CCIAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(O)cc1 ZINC000216987452 277101445 /nfs/dbraw/zinc/10/14/45/277101445.db2.gz BRQIAZMGUKYWTQ-LBPRGKRZSA-N 1 1 263.341 0.368 50 70 CCIAMO C[C@H](Cn1cccn1)NC(=O)CCN1CC[NH+](C)CC1 ZINC000218086360 389135865 /nfs/dbraw/zinc/13/58/65/389135865.db2.gz PSCQURWHARSSFE-CYBMUJFWSA-N 1 1 279.388 0.025 50 70 CCIAMO OCc1cc2n(n1)CCC[N@@H+](CCn1ccnc1)C2 ZINC000217201848 351945922 /nfs/dbraw/zinc/94/59/22/351945922.db2.gz FPEGURJWOBBYPX-UHFFFAOYSA-N 1 1 261.329 0.478 50 70 CCIAMO CC[C@H](Cn1ccnc1)NC(=O)Cn1cc[nH+]c1C ZINC000218090430 389135785 /nfs/dbraw/zinc/13/57/85/389135785.db2.gz KXQJPTRZKUSJHP-GFCCVEGCSA-N 1 1 261.329 0.983 50 70 CCIAMO CC[C@@H](O)c1cc2n(n1)CC[N@H+](CCn1cnnc1)C2 ZINC000218513543 351959280 /nfs/dbraw/zinc/95/92/80/351959280.db2.gz ONUUQWYVOGCFBS-CYBMUJFWSA-N 1 1 276.344 0.434 50 70 CCIAMO CC[C@@H](O)c1cc2n(n1)CC[N@@H+](CCn1cnnc1)C2 ZINC000218513543 351959283 /nfs/dbraw/zinc/95/92/83/351959283.db2.gz ONUUQWYVOGCFBS-CYBMUJFWSA-N 1 1 276.344 0.434 50 70 CCIAMO Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000159841186 389375410 /nfs/dbraw/zinc/37/54/10/389375410.db2.gz ANDNHGHDLQWYME-RYUDHWBXSA-N 1 1 266.366 0.807 50 70 CCIAMO COc1ccc(OCC(=O)N[C@H]2C[N@H+](C)C[C@@H]2OC)cc1 ZINC000218735722 351961192 /nfs/dbraw/zinc/96/11/92/351961192.db2.gz NQNXBMYVPJLTJW-KBPBESRZSA-N 1 1 294.351 0.519 50 70 CCIAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)c2cccc(N)n2)C1 ZINC000217015496 351944211 /nfs/dbraw/zinc/94/42/11/351944211.db2.gz VLYXAJBLOKNCGM-GFCCVEGCSA-N 1 1 292.383 0.704 50 70 CCIAMO OCc1cc2n(n1)CCN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000217674592 351950071 /nfs/dbraw/zinc/95/00/71/351950071.db2.gz GCEZBRYIGYLSLG-UHFFFAOYSA-N 1 1 270.296 0.667 50 70 CCIAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1nc(C)c[nH]1 ZINC000218189906 389135723 /nfs/dbraw/zinc/13/57/23/389135723.db2.gz BCQVSFUXGLHLJG-QWRGUYRKSA-N 1 1 266.345 0.556 50 70 CCIAMO O=C(NCc1ccccc1OCCO)[C@H]1CSC[NH2+]1 ZINC000161248435 350716674 /nfs/dbraw/zinc/71/66/74/350716674.db2.gz CQOHDAXIFOHYKF-LLVKDONJSA-N 1 1 282.365 0.336 50 70 CCIAMO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCn1cncn1)C2 ZINC000217460629 351947911 /nfs/dbraw/zinc/94/79/11/351947911.db2.gz NQIQKDLRNUAYKL-LLVKDONJSA-N 1 1 276.344 0.434 50 70 CCIAMO CC[C@H](O)c1cc2n(n1)CC[N@H+](CCn1cnnc1)C2 ZINC000218513619 351958946 /nfs/dbraw/zinc/95/89/46/351958946.db2.gz ONUUQWYVOGCFBS-ZDUSSCGKSA-N 1 1 276.344 0.434 50 70 CCIAMO CC[C@H](O)c1cc2n(n1)CC[N@@H+](CCn1cnnc1)C2 ZINC000218513619 351958948 /nfs/dbraw/zinc/95/89/48/351958948.db2.gz ONUUQWYVOGCFBS-ZDUSSCGKSA-N 1 1 276.344 0.434 50 70 CCIAMO COc1ccc(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c(OC)c1 ZINC000218747269 351961048 /nfs/dbraw/zinc/96/10/48/351961048.db2.gz FUBZBFGOKMKZAE-MNOVXSKESA-N 1 1 294.351 0.499 50 70 CCIAMO C[NH+]1CCN([C@H]2CCN(C(=O)c3ccncc3O)C2)CC1 ZINC000217008410 277111803 /nfs/dbraw/zinc/11/18/03/277111803.db2.gz CPIZJCGZNXUCPW-LBPRGKRZSA-N 1 1 290.367 0.249 50 70 CCIAMO C/C=C/C[N@H+]1CCN(Cc2nncn2C(C)C)C[C@@H](O)C1 ZINC000217114178 351944715 /nfs/dbraw/zinc/94/47/15/351944715.db2.gz CFPJMWIWZLIWAO-NNTXTVRGSA-N 1 1 293.415 0.914 50 70 CCIAMO C[N@@H+](CCN1CCOC[C@@H]1C(N)=O)Cc1ccc(F)cc1 ZINC000161375892 389406226 /nfs/dbraw/zinc/40/62/26/389406226.db2.gz OBWZHDSJNPIWNQ-CQSZACIVSA-N 1 1 295.358 0.444 50 70 CCIAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc[nH]c1=O ZINC000218244463 351956102 /nfs/dbraw/zinc/95/61/02/351956102.db2.gz PKQVXQQPKMGNLO-QWRGUYRKSA-N 1 1 265.313 0.236 50 70 CCIAMO Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000159841318 389375111 /nfs/dbraw/zinc/37/51/11/389375111.db2.gz ANDNHGHDLQWYME-VXGBXAGGSA-N 1 1 266.366 0.807 50 70 CCIAMO Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)o1 ZINC000217545265 544815526 /nfs/dbraw/zinc/81/55/26/544815526.db2.gz LKMYWBNJZYXIPS-RYUDHWBXSA-N 1 1 291.351 0.066 50 70 CCIAMO Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)o1 ZINC000217545265 544815530 /nfs/dbraw/zinc/81/55/30/544815530.db2.gz LKMYWBNJZYXIPS-RYUDHWBXSA-N 1 1 291.351 0.066 50 70 CCIAMO Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)o1 ZINC000217545265 544815535 /nfs/dbraw/zinc/81/55/35/544815535.db2.gz LKMYWBNJZYXIPS-RYUDHWBXSA-N 1 1 291.351 0.066 50 70 CCIAMO Cc1cc(=O)cc(C(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)o1 ZINC000217545265 544815539 /nfs/dbraw/zinc/81/55/39/544815539.db2.gz LKMYWBNJZYXIPS-RYUDHWBXSA-N 1 1 291.351 0.066 50 70 CCIAMO OCc1cc2n(n1)CCC[N@@H+](CCn1cccn1)C2 ZINC000217114887 351945051 /nfs/dbraw/zinc/94/50/51/351945051.db2.gz NTNVCEAZSIFNLM-UHFFFAOYSA-N 1 1 261.329 0.478 50 70 CCIAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccn(C(F)F)n1 ZINC000218636186 351961105 /nfs/dbraw/zinc/96/11/05/351961105.db2.gz SFAXOQPOBKLJNW-UWVGGRQHSA-N 1 1 288.298 0.727 50 70 CCIAMO OCc1cc2n(n1)CCC[N@H+](C1CCOCC1)C2 ZINC000217905945 389134773 /nfs/dbraw/zinc/13/47/73/389134773.db2.gz ZMLMEBHMJNWKGL-UHFFFAOYSA-N 1 1 251.330 0.760 50 70 CCIAMO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000159841048 389374623 /nfs/dbraw/zinc/37/46/23/389374623.db2.gz ANDNHGHDLQWYME-NWDGAFQWSA-N 1 1 266.366 0.807 50 70 CCIAMO Cc1ccc[nH+]c1NCCNC(=O)c1cccc(=O)[nH]1 ZINC000218750672 351961068 /nfs/dbraw/zinc/96/10/68/351961068.db2.gz QIBIDRYPXSRTHP-UHFFFAOYSA-N 1 1 272.308 0.920 50 70 CCIAMO CC(C)C[N@H+]1CCN(c2nc(C(N)=O)cs2)C[C@@H](O)C1 ZINC000216967390 351943986 /nfs/dbraw/zinc/94/39/86/351943986.db2.gz HRVRSPLPVDYOQI-JTQLQIEISA-N 1 1 298.412 0.381 50 70 CCIAMO CCc1[nH+]ccn1CC(=O)N[C@H]1[C@@H](COC)[C@H]2OCC[C@@H]12 ZINC000218064980 389135441 /nfs/dbraw/zinc/13/54/41/389135441.db2.gz IMKVGIQDKLHYKH-DRABBMOASA-N 1 1 293.367 0.612 50 70 CCIAMO Cn1cncc1C[N@H+](C)CCCCN1CCOCC1 ZINC000217773087 262344376 /nfs/dbraw/zinc/34/43/76/262344376.db2.gz BJLFSRLBEXGRFX-UHFFFAOYSA-N 1 1 266.389 0.964 50 70 CCIAMO Cn1cncc1C[N@@H+](C)CCCCN1CCOCC1 ZINC000217773087 262344378 /nfs/dbraw/zinc/34/43/78/262344378.db2.gz BJLFSRLBEXGRFX-UHFFFAOYSA-N 1 1 266.389 0.964 50 70 CCIAMO CCC[N@H+]1CCN(c2ncc(F)c(NC)n2)C[C@@H](O)C1 ZINC000217170975 351945303 /nfs/dbraw/zinc/94/53/03/351945303.db2.gz OAZZJLVXADDKNZ-JTQLQIEISA-N 1 1 283.351 0.550 50 70 CCIAMO C[C@@H](CC(=O)N1CCc2n[nH]cc2C1)[NH+]1CCOCC1 ZINC000218122909 389135624 /nfs/dbraw/zinc/13/56/24/389135624.db2.gz NRZRBQBMQJRHDR-NSHDSACASA-N 1 1 278.356 0.405 50 70 CCIAMO Nc1ncccc1CN1CCN(c2cc[nH+]cc2)C[C@@H](O)C1 ZINC000216937499 351943802 /nfs/dbraw/zinc/94/38/02/351943802.db2.gz QHOBVWXIOVDRQG-HNNXBMFYSA-N 1 1 299.378 0.742 50 70 CCIAMO COCCN(C[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1C ZINC000218754422 351961836 /nfs/dbraw/zinc/96/18/36/351961836.db2.gz SWSDKINAVKASAZ-ZDUSSCGKSA-N 1 1 281.356 0.846 50 70 CCIAMO Cc1[nH+]c(N)nc(N2CCn3nc(CO)cc3C2)c1Cl ZINC000217339920 351946619 /nfs/dbraw/zinc/94/66/19/351946619.db2.gz ZLBQTUKTRSGESR-UHFFFAOYSA-N 1 1 294.746 0.730 50 70 CCIAMO CN(CCc1ncon1)C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000217402079 351948087 /nfs/dbraw/zinc/94/80/87/351948087.db2.gz LMFWSHSQFLKKGL-SNVBAGLBSA-N 1 1 252.318 0.412 50 70 CCIAMO Cc1cc(C)c(CNC(=O)C[N@@H+]2CCC[C@H](O)C2)cn1 ZINC000218477272 351959214 /nfs/dbraw/zinc/95/92/14/351959214.db2.gz NYUSDLQQGBXLLS-AWEZNQCLSA-N 1 1 277.368 0.771 50 70 CCIAMO Cc1cc(C)c(CNC(=O)C[N@H+]2CCC[C@H](O)C2)cn1 ZINC000218477272 351959215 /nfs/dbraw/zinc/95/92/15/351959215.db2.gz NYUSDLQQGBXLLS-AWEZNQCLSA-N 1 1 277.368 0.771 50 70 CCIAMO Cc1[nH+]cn(CC(=O)N2CCC[C@](O)(CO)CC2)c1C ZINC000218532745 351960239 /nfs/dbraw/zinc/96/02/39/351960239.db2.gz IRIQOGLMRNUFQT-CQSZACIVSA-N 1 1 281.356 0.236 50 70 CCIAMO Cc1n[nH]c(CN2CC[N@@H+](C)[C@@H](CO)C2)c1Cl ZINC000217198814 351946030 /nfs/dbraw/zinc/94/60/30/351946030.db2.gz SJNZNOBXAVXBLV-SECBINFHSA-N 1 1 258.753 0.480 50 70 CCIAMO Cc1n[nH]c(CN2CC[N@H+](C)[C@@H](CO)C2)c1Cl ZINC000217198814 351946034 /nfs/dbraw/zinc/94/60/34/351946034.db2.gz SJNZNOBXAVXBLV-SECBINFHSA-N 1 1 258.753 0.480 50 70 CCIAMO CCOCC[N@H+]1CCN(Cc2c(C)cnn2C)C[C@@H](O)C1 ZINC000217692970 351950085 /nfs/dbraw/zinc/95/00/85/351950085.db2.gz KMPRJEQNDPIHJB-AWEZNQCLSA-N 1 1 296.415 0.244 50 70 CCIAMO CN(CCc1ncon1)C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000217402145 351947450 /nfs/dbraw/zinc/94/74/50/351947450.db2.gz LMFWSHSQFLKKGL-JTQLQIEISA-N 1 1 252.318 0.412 50 70 CCIAMO CCc1ncc(CN2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000217097079 351944536 /nfs/dbraw/zinc/94/45/36/351944536.db2.gz CEOCCEXRPAIYBX-GFCCVEGCSA-N 1 1 250.346 0.147 50 70 CCIAMO CCc1ncc(CN2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000217097079 351944539 /nfs/dbraw/zinc/94/45/39/351944539.db2.gz CEOCCEXRPAIYBX-GFCCVEGCSA-N 1 1 250.346 0.147 50 70 CCIAMO Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000159841431 389375339 /nfs/dbraw/zinc/37/53/39/389375339.db2.gz ANDNHGHDLQWYME-NEPJUHHUSA-N 1 1 266.366 0.807 50 70 CCIAMO OCc1cc2n(n1)CC[N@@H+](CCc1ccccn1)C2 ZINC000216976729 351944070 /nfs/dbraw/zinc/94/40/70/351944070.db2.gz IUVCULARSHYWHC-UHFFFAOYSA-N 1 1 258.325 0.829 50 70 CCIAMO Cc1cc(=O)cc(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)o1 ZINC000218127906 351955520 /nfs/dbraw/zinc/95/55/20/351955520.db2.gz WBNAZFCWJRUICD-GFCCVEGCSA-N 1 1 294.351 0.382 50 70 CCIAMO Cc1[nH+]cn(CCNC(=O)CCn2cncn2)c1C ZINC000217672009 351950079 /nfs/dbraw/zinc/95/00/79/351950079.db2.gz CBTYHIRLVCCRDN-UHFFFAOYSA-N 1 1 262.317 0.298 50 70 CCIAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCc1ccnn1C ZINC000217213743 189709349 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