smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000088769855 600993856 /nfs/dbraw/zinc/99/38/56/600993856.db2.gz LILQCPXOGPVCIA-SNVBAGLBSA-N -1 0 338.407 -1.240 20 30 EAEDRM C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000226460260 600994320 /nfs/dbraw/zinc/99/43/20/600994320.db2.gz LILQCPXOGPVCIA-JTQLQIEISA-N -1 0 338.407 -1.240 20 30 EAEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[N-]OCC(N)=O ZINC000271381544 415250773 /nfs/dbraw/zinc/25/07/73/415250773.db2.gz JPIGEKQXIMBJLT-MRVPVSSYSA-N -1 0 326.334 -1.242 20 30 EAEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[N-]OCC(N)=O ZINC000271381546 267186770 /nfs/dbraw/zinc/18/67/70/267186770.db2.gz JPIGEKQXIMBJLT-QMMMGPOBSA-N -1 0 326.334 -1.242 20 30 EAEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[N-]OCC(N)=O ZINC000271460713 266974885 /nfs/dbraw/zinc/97/48/85/266974885.db2.gz XDQPXJIFPCTJFQ-MRVPVSSYSA-N -1 0 326.334 -1.242 20 30 EAEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[N-]OCC(N)=O ZINC000271460715 267187895 /nfs/dbraw/zinc/18/78/95/267187895.db2.gz XDQPXJIFPCTJFQ-QMMMGPOBSA-N -1 0 326.334 -1.242 20 30 EAEDRM CC#CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000275064119 374851678 /nfs/dbraw/zinc/85/16/78/374851678.db2.gz VFDMTZXKSXNUJX-SECBINFHSA-N -1 0 326.396 -1.288 20 30 EAEDRM CC#CC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-] ZINC000275064125 374854378 /nfs/dbraw/zinc/85/43/78/374854378.db2.gz VFDMTZXKSXNUJX-VIFPVBQESA-N -1 0 326.396 -1.288 20 30 EAEDRM CC#CC[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275069447 374854731 /nfs/dbraw/zinc/85/47/31/374854731.db2.gz WISLHUWKWYALQN-MRVPVSSYSA-N -1 0 329.334 -1.771 20 30 EAEDRM CC#CC[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275069449 374855043 /nfs/dbraw/zinc/85/50/43/374855043.db2.gz WISLHUWKWYALQN-QMMMGPOBSA-N -1 0 329.334 -1.771 20 30 EAEDRM C=CCC[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000315978908 794353283 /nfs/dbraw/zinc/35/32/83/794353283.db2.gz ZLXKLGMYBXYNBC-MRVPVSSYSA-N -1 0 331.350 -1.218 20 30 EAEDRM C=CCC[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000315978910 794353434 /nfs/dbraw/zinc/35/34/34/794353434.db2.gz ZLXKLGMYBXYNBC-QMMMGPOBSA-N -1 0 331.350 -1.218 20 30 EAEDRM C=CCNC(=O)CN1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000321136719 601253670 /nfs/dbraw/zinc/25/36/70/601253670.db2.gz XWQYFXMDXJTYGG-UHFFFAOYSA-N -1 0 348.425 -1.443 20 30 EAEDRM COCCN(CCC#N)S(=O)(=O)NCc1cc(C(N)=O)no1 ZINC000336897577 374561707 /nfs/dbraw/zinc/56/17/07/374561707.db2.gz OPBQNPYHTYKPFT-UHFFFAOYSA-N -1 0 331.354 -1.030 20 30 EAEDRM COCCN(CCC#N)S(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336906087 374562005 /nfs/dbraw/zinc/56/20/05/374562005.db2.gz UBYMTAZASSNGLV-JTQLQIEISA-N -1 0 345.381 -1.671 20 30 EAEDRM COCCN(CCC#N)S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336906093 374562248 /nfs/dbraw/zinc/56/22/48/374562248.db2.gz UBYMTAZASSNGLV-SNVBAGLBSA-N -1 0 345.381 -1.671 20 30 EAEDRM COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC ZINC000336926271 374562717 /nfs/dbraw/zinc/56/27/17/374562717.db2.gz XBSZBFYPDPCBSM-BDAKNGLRSA-N -1 0 335.338 -1.850 20 30 EAEDRM COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC ZINC000336926276 374562167 /nfs/dbraw/zinc/56/21/67/374562167.db2.gz XBSZBFYPDPCBSM-DTWKUNHWSA-N -1 0 335.338 -1.850 20 30 EAEDRM COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC ZINC000336926277 374562678 /nfs/dbraw/zinc/56/26/78/374562678.db2.gz XBSZBFYPDPCBSM-IUCAKERBSA-N -1 0 335.338 -1.850 20 30 EAEDRM COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC ZINC000336926278 374561768 /nfs/dbraw/zinc/56/17/68/374561768.db2.gz XBSZBFYPDPCBSM-RKDXNWHRSA-N -1 0 335.338 -1.850 20 30 EAEDRM N#CCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000343503408 374693056 /nfs/dbraw/zinc/69/30/56/374693056.db2.gz FOXYERGBKXEFSE-UHFFFAOYSA-N -1 0 346.315 -1.001 20 30 EAEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348348770 374813675 /nfs/dbraw/zinc/81/36/75/374813675.db2.gz NKYXUKUQCQBJJR-UHFFFAOYSA-N -1 0 334.383 -1.278 20 30 EAEDRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000349509065 374817892 /nfs/dbraw/zinc/81/78/92/374817892.db2.gz YFHMCDJJFVAJGC-UHFFFAOYSA-N -1 0 348.410 -1.268 20 30 EAEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)NCCO ZINC000349605142 374819533 /nfs/dbraw/zinc/81/95/33/374819533.db2.gz QJHVVZWPPVDKCX-UHFFFAOYSA-N -1 0 348.406 -1.003 20 30 EAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)C1=O ZINC000352464610 374749796 /nfs/dbraw/zinc/74/97/96/374749796.db2.gz BQDCYOFHIQUSGQ-MRVPVSSYSA-N -1 0 335.324 -1.262 20 30 EAEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)C1=O ZINC000352464611 374749083 /nfs/dbraw/zinc/74/90/83/374749083.db2.gz BQDCYOFHIQUSGQ-QMMMGPOBSA-N -1 0 335.324 -1.262 20 30 EAEDRM Cn1cnc(S(=O)(=O)NCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000352609813 374827788 /nfs/dbraw/zinc/82/77/88/374827788.db2.gz LAPHSPFYHCQMKT-UHFFFAOYSA-N -1 0 334.321 -1.196 20 30 EAEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000354917848 268198472 /nfs/dbraw/zinc/19/84/72/268198472.db2.gz KZLGXKRFHGEODB-UHFFFAOYSA-N -1 0 336.333 -1.023 20 30 EAEDRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)C1=O ZINC000358714565 265899417 /nfs/dbraw/zinc/89/94/17/265899417.db2.gz PIDRKJUAZZORCB-BXKDBHETSA-N -1 0 334.336 -1.024 20 30 EAEDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2cnc(C#N)n2)C1=O ZINC000358714566 265077111 /nfs/dbraw/zinc/07/71/11/265077111.db2.gz PIDRKJUAZZORCB-CABZTGNLSA-N -1 0 334.336 -1.024 20 30 EAEDRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)Cn2cnc(C#N)n2)C1=O ZINC000358714567 375177648 /nfs/dbraw/zinc/17/76/48/375177648.db2.gz PIDRKJUAZZORCB-JOYOIKCWSA-N -1 0 334.336 -1.024 20 30 EAEDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)C1=O ZINC000358714568 265126564 /nfs/dbraw/zinc/12/65/64/265126564.db2.gz PIDRKJUAZZORCB-SKDRFNHKSA-N -1 0 334.336 -1.024 20 30 EAEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000408489860 374358367 /nfs/dbraw/zinc/35/83/67/374358367.db2.gz WQOKNAANHXILDR-DTWKUNHWSA-N -1 0 326.396 -1.333 20 30 EAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424362681 374873601 /nfs/dbraw/zinc/87/36/01/374873601.db2.gz AQNDNRCCNOZGQX-BDAKNGLRSA-N -1 0 339.395 -1.494 20 30 EAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424362689 374873428 /nfs/dbraw/zinc/87/34/28/374873428.db2.gz AQNDNRCCNOZGQX-DTWKUNHWSA-N -1 0 339.395 -1.494 20 30 EAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424362690 374873656 /nfs/dbraw/zinc/87/36/56/374873656.db2.gz AQNDNRCCNOZGQX-IUCAKERBSA-N -1 0 339.395 -1.494 20 30 EAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424362692 374873783 /nfs/dbraw/zinc/87/37/83/374873783.db2.gz AQNDNRCCNOZGQX-RKDXNWHRSA-N -1 0 339.395 -1.494 20 30 EAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424364382 374874637 /nfs/dbraw/zinc/87/46/37/374874637.db2.gz DKVZNLBFADOPEL-BDAKNGLRSA-N -1 0 339.395 -1.351 20 30 EAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424364383 374874300 /nfs/dbraw/zinc/87/43/00/374874300.db2.gz DKVZNLBFADOPEL-DTWKUNHWSA-N -1 0 339.395 -1.351 20 30 EAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424364384 374873680 /nfs/dbraw/zinc/87/36/80/374873680.db2.gz DKVZNLBFADOPEL-IUCAKERBSA-N -1 0 339.395 -1.351 20 30 EAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424364385 374873572 /nfs/dbraw/zinc/87/35/72/374873572.db2.gz DKVZNLBFADOPEL-RKDXNWHRSA-N -1 0 339.395 -1.351 20 30 EAEDRM CN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367465 374874284 /nfs/dbraw/zinc/87/42/84/374874284.db2.gz MEGNFJRFSLJPIP-MRVPVSSYSA-N -1 0 325.368 -1.740 20 30 EAEDRM CN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367466 374874614 /nfs/dbraw/zinc/87/46/14/374874614.db2.gz MEGNFJRFSLJPIP-QMMMGPOBSA-N -1 0 325.368 -1.740 20 30 EAEDRM CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424371878 374874373 /nfs/dbraw/zinc/87/43/73/374874373.db2.gz VVPRDFUUJWKJGQ-SECBINFHSA-N -1 0 339.395 -1.350 20 30 EAEDRM CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424371879 374873712 /nfs/dbraw/zinc/87/37/12/374873712.db2.gz VVPRDFUUJWKJGQ-VIFPVBQESA-N -1 0 339.395 -1.350 20 30 EAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424388532 374873965 /nfs/dbraw/zinc/87/39/65/374873965.db2.gz HGGUZZKELGVWRZ-HTQZYQBOSA-N -1 0 344.353 -1.269 20 30 EAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424388536 374874576 /nfs/dbraw/zinc/87/45/76/374874576.db2.gz HGGUZZKELGVWRZ-JGVFFNPUSA-N -1 0 344.353 -1.269 20 30 EAEDRM C[C@H](CC#N)N(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424388538 374873837 /nfs/dbraw/zinc/87/38/37/374873837.db2.gz HGGUZZKELGVWRZ-SFYZADRCSA-N -1 0 344.353 -1.269 20 30 EAEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424388540 374874677 /nfs/dbraw/zinc/87/46/77/374874677.db2.gz HGGUZZKELGVWRZ-YUMQZZPRSA-N -1 0 344.353 -1.269 20 30 EAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390257 374874604 /nfs/dbraw/zinc/87/46/04/374874604.db2.gz JVMKWGWHWMPTPG-HTQZYQBOSA-N -1 0 344.353 -1.411 20 30 EAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390258 374874042 /nfs/dbraw/zinc/87/40/42/374874042.db2.gz JVMKWGWHWMPTPG-JGVFFNPUSA-N -1 0 344.353 -1.411 20 30 EAEDRM C[C@H](C#N)CN(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390259 374874239 /nfs/dbraw/zinc/87/42/39/374874239.db2.gz JVMKWGWHWMPTPG-SFYZADRCSA-N -1 0 344.353 -1.411 20 30 EAEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390260 374873795 /nfs/dbraw/zinc/87/37/95/374873795.db2.gz JVMKWGWHWMPTPG-YUMQZZPRSA-N -1 0 344.353 -1.411 20 30 EAEDRM CN(CCC#N)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390766 374874278 /nfs/dbraw/zinc/87/42/78/374874278.db2.gz LJNXLILKTUMCOQ-SSDOTTSWSA-N -1 0 330.326 -1.657 20 30 EAEDRM CN(CCC#N)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390767 374873951 /nfs/dbraw/zinc/87/39/51/374873951.db2.gz LJNXLILKTUMCOQ-ZETCQYMHSA-N -1 0 330.326 -1.657 20 30 EAEDRM CCN(CCC#N)S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424394415 374874387 /nfs/dbraw/zinc/87/43/87/374874387.db2.gz SXSAZCHCYKEKPO-MRVPVSSYSA-N -1 0 344.353 -1.267 20 30 EAEDRM CCN(CCC#N)S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424394416 374874613 /nfs/dbraw/zinc/87/46/13/374874613.db2.gz SXSAZCHCYKEKPO-QMMMGPOBSA-N -1 0 344.353 -1.267 20 30 EAEDRM C=CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C1CC1 ZINC000424484498 414866151 /nfs/dbraw/zinc/86/61/51/414866151.db2.gz ADXBJNIHADSAMD-JTQLQIEISA-N -1 0 330.362 -1.126 20 30 EAEDRM C=CCN(C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C1CC1 ZINC000424484499 414867542 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20 30 EAEDRM C[C@@H](CNC(=O)CCc1n[nH]c(=O)[n-]c1=O)Nc1ccnc(C#N)n1 ZINC001098400088 792036447 /nfs/dbraw/zinc/03/64/47/792036447.db2.gz NWBKGGFFSRBART-QMMMGPOBSA-N -1 0 344.335 -1.084 20 30 EAEDRM N#CCNCc1cn([C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001098687971 785536801 /nfs/dbraw/zinc/53/68/01/785536801.db2.gz GKRWMMFQINKUJU-SECBINFHSA-N -1 0 345.323 -1.425 20 30 EAEDRM N#CCNCc1cn([C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001098687972 785536890 /nfs/dbraw/zinc/53/68/90/785536890.db2.gz GKRWMMFQINKUJU-VIFPVBQESA-N -1 0 345.323 -1.425 20 30 EAEDRM C#CCNCc1cn([C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001098688395 792051651 /nfs/dbraw/zinc/05/16/51/792051651.db2.gz OECMXWVBLARLDS-JTQLQIEISA-N -1 0 344.335 -1.316 20 30 EAEDRM C#CCNCc1cn([C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001098688396 792050957 /nfs/dbraw/zinc/05/09/57/792050957.db2.gz OECMXWVBLARLDS-SNVBAGLBSA-N -1 0 344.335 -1.316 20 30 EAEDRM C#CCNCc1cn([C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001098773835 792060629 /nfs/dbraw/zinc/06/06/29/792060629.db2.gz JCFCEUCYTGAFAN-LLVKDONJSA-N -1 0 346.351 -1.523 20 30 EAEDRM C#CCNCc1cn([C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001098773838 792059137 /nfs/dbraw/zinc/05/91/37/792059137.db2.gz JCFCEUCYTGAFAN-NSHDSACASA-N -1 0 346.351 -1.523 20 30 EAEDRM N#CCNCc1cn([C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001098774614 792058824 /nfs/dbraw/zinc/05/88/24/792058824.db2.gz RDTIYFFTDYGVGH-JTQLQIEISA-N -1 0 347.339 -1.632 20 30 EAEDRM N#CCNCc1cn([C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001098774618 792059036 /nfs/dbraw/zinc/05/90/36/792059036.db2.gz RDTIYFFTDYGVGH-SNVBAGLBSA-N -1 0 347.339 -1.632 20 30 EAEDRM C[C@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccnc(C#N)n1 ZINC001099361837 792073246 /nfs/dbraw/zinc/07/32/46/792073246.db2.gz LHSOLCOJQBPTFZ-MRVPVSSYSA-N -1 0 332.324 -1.220 20 30 EAEDRM C[C@@H](CCNC(=O)Cn1c(=O)[n-][nH]c1=O)Nc1ccnc(C#N)n1 ZINC001099361838 792072969 /nfs/dbraw/zinc/07/29/69/792072969.db2.gz LHSOLCOJQBPTFZ-QMMMGPOBSA-N -1 0 332.324 -1.220 20 30 EAEDRM N#CCSCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099693823 786284709 /nfs/dbraw/zinc/28/47/09/786284709.db2.gz YJSFYJFBJFCWDE-BDAKNGLRSA-N -1 0 326.382 -1.182 20 30 EAEDRM N#CCSCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099693824 786285260 /nfs/dbraw/zinc/28/52/60/786285260.db2.gz YJSFYJFBJFCWDE-DTWKUNHWSA-N -1 0 326.382 -1.182 20 30 EAEDRM N#CCSCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099693825 786284900 /nfs/dbraw/zinc/28/49/00/786284900.db2.gz YJSFYJFBJFCWDE-IUCAKERBSA-N -1 0 326.382 -1.182 20 30 EAEDRM N#CCSCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001099693826 786284527 /nfs/dbraw/zinc/28/45/27/786284527.db2.gz YJSFYJFBJFCWDE-RKDXNWHRSA-N -1 0 326.382 -1.182 20 30 EAEDRM C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099772365 792152664 /nfs/dbraw/zinc/15/26/64/792152664.db2.gz LDSSHCQIITWVPM-GHMZBOCLSA-N -1 0 335.364 -1.662 20 30 EAEDRM C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099772372 792154053 /nfs/dbraw/zinc/15/40/53/792154053.db2.gz LDSSHCQIITWVPM-MNOVXSKESA-N -1 0 335.364 -1.662 20 30 EAEDRM C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099772374 792154360 /nfs/dbraw/zinc/15/43/60/792154360.db2.gz LDSSHCQIITWVPM-QWRGUYRKSA-N -1 0 335.364 -1.662 20 30 EAEDRM C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099772376 792153903 /nfs/dbraw/zinc/15/39/03/792153903.db2.gz LDSSHCQIITWVPM-WDEREUQCSA-N -1 0 335.364 -1.662 20 30 EAEDRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)c1[O-] ZINC001099772474 792152574 /nfs/dbraw/zinc/15/25/74/792152574.db2.gz LSHHYHTUNMGXSR-NXEZZACHSA-N -1 0 336.352 -1.772 20 30 EAEDRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)c1[O-] ZINC001099772475 792152752 /nfs/dbraw/zinc/15/27/52/792152752.db2.gz LSHHYHTUNMGXSR-UWVGGRQHSA-N -1 0 336.352 -1.772 20 30 EAEDRM Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)c1[O-] ZINC001099772476 792153065 /nfs/dbraw/zinc/15/30/65/792153065.db2.gz LSHHYHTUNMGXSR-VHSXEESVSA-N -1 0 336.352 -1.772 20 30 EAEDRM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)c1[O-] ZINC001099772477 792153706 /nfs/dbraw/zinc/15/37/06/792153706.db2.gz LSHHYHTUNMGXSR-ZJUUUORDSA-N -1 0 336.352 -1.772 20 30 EAEDRM C=CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773606 792153591 /nfs/dbraw/zinc/15/35/91/792153591.db2.gz VRKLCZCLKWRJAZ-GHMZBOCLSA-N -1 0 337.380 -1.109 20 30 EAEDRM C=CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773607 792154464 /nfs/dbraw/zinc/15/44/64/792154464.db2.gz VRKLCZCLKWRJAZ-MNOVXSKESA-N -1 0 337.380 -1.109 20 30 EAEDRM C=CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773608 792153716 /nfs/dbraw/zinc/15/37/16/792153716.db2.gz VRKLCZCLKWRJAZ-QWRGUYRKSA-N -1 0 337.380 -1.109 20 30 EAEDRM C=CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773609 792153515 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336.352 -2.299 20 30 EAEDRM C#CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001099790225 792166494 /nfs/dbraw/zinc/16/64/94/792166494.db2.gz YVUFKPWQOXVNDE-ZJUUUORDSA-N -1 0 336.352 -2.299 20 30 EAEDRM COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001099904317 792241900 /nfs/dbraw/zinc/24/19/00/792241900.db2.gz TXTKYLWQBIDOTH-NXEZZACHSA-N -1 0 337.336 -1.902 20 30 EAEDRM COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001099904318 792241646 /nfs/dbraw/zinc/24/16/46/792241646.db2.gz TXTKYLWQBIDOTH-UWVGGRQHSA-N -1 0 337.336 -1.902 20 30 EAEDRM COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](O)C1 ZINC001099904319 792243158 /nfs/dbraw/zinc/24/31/58/792243158.db2.gz TXTKYLWQBIDOTH-VHSXEESVSA-N -1 0 337.336 -1.902 20 30 EAEDRM COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001099904320 792243730 /nfs/dbraw/zinc/24/37/30/792243730.db2.gz TXTKYLWQBIDOTH-ZJUUUORDSA-N -1 0 337.336 -1.902 20 30 EAEDRM 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