smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261688126 1073802467 /nfs/dbraw/zinc/80/24/67/1073802467.db2.gz IFONOQNJWVNNIJ-GOSISDBHSA-N 2 1 380.537 -0.620 20 30 GBEDMP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261688132 1073802848 /nfs/dbraw/zinc/80/28/48/1073802848.db2.gz IFONOQNJWVNNIJ-SFHVURJKSA-N 2 1 380.537 -0.620 20 30 GBEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261703282 1073954862 /nfs/dbraw/zinc/95/48/62/1073954862.db2.gz GLKFNXBHMYJMRD-UHFFFAOYSA-N 2 1 395.489 -0.097 20 30 GBEDMP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261709404 1073876865 /nfs/dbraw/zinc/87/68/65/1073876865.db2.gz JWGZKQUTJRIOND-HOTGVXAUSA-N 2 1 387.550 -0.503 20 30 GBEDMP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261709415 1073876923 /nfs/dbraw/zinc/87/69/23/1073876923.db2.gz JWGZKQUTJRIOND-JKSUJKDBSA-N 2 1 387.550 -0.503 20 30 GBEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261714110 1073881043 /nfs/dbraw/zinc/88/10/43/1073881043.db2.gz HOYGQJLKTWWXOC-BEFAXECRSA-N 2 1 393.536 -0.492 20 30 GBEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261714117 1073880615 /nfs/dbraw/zinc/88/06/15/1073880615.db2.gz HOYGQJLKTWWXOC-DNVCBOLYSA-N 2 1 393.536 -0.492 20 30 GBEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261758241 1073956431 /nfs/dbraw/zinc/95/64/31/1073956431.db2.gz OBTZQOOUHZYBOK-HNNXBMFYSA-N 2 1 376.509 -0.720 20 30 GBEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261758244 1073956606 /nfs/dbraw/zinc/95/66/06/1073956606.db2.gz OBTZQOOUHZYBOK-OAHLLOKOSA-N 2 1 376.509 -0.720 20 30 GBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261825721 1073957713 /nfs/dbraw/zinc/95/77/13/1073957713.db2.gz UYSKTSGSCVBIEE-AWEZNQCLSA-N 2 1 384.506 -0.351 20 30 GBEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261825723 1073957356 /nfs/dbraw/zinc/95/73/56/1073957356.db2.gz UYSKTSGSCVBIEE-CQSZACIVSA-N 2 1 384.506 -0.351 20 30 GBEDMP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261856639 1072372655 /nfs/dbraw/zinc/37/26/55/1072372655.db2.gz XXNZPLPXEGGGGQ-HZPDHXFCSA-N 2 1 387.550 -0.360 20 30 GBEDMP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261856642 1072373072 /nfs/dbraw/zinc/37/30/72/1072373072.db2.gz XXNZPLPXEGGGGQ-JKSUJKDBSA-N 2 1 387.550 -0.360 20 30 GBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261932957 1072737340 /nfs/dbraw/zinc/73/73/40/1072737340.db2.gz BUICZXXKQMNBPK-QZTJIDSGSA-N 2 1 393.580 -0.564 20 30 GBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261932965 1072737183 /nfs/dbraw/zinc/73/71/83/1072737183.db2.gz BUICZXXKQMNBPK-ZWKOTPCHSA-N 2 1 393.580 -0.564 20 30 GBEDMP CC[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261936661 1072746132 /nfs/dbraw/zinc/74/61/32/1072746132.db2.gz CPXBLIKBEZJCOO-UHFFFAOYSA-N 2 1 387.550 -0.375 20 30 GBEDMP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000261948757 1073959911 /nfs/dbraw/zinc/95/99/11/1073959911.db2.gz GRGRDKBNSPEMOC-INIZCTEOSA-N 2 1 388.520 -0.006 20 30 GBEDMP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000261948759 1073960073 /nfs/dbraw/zinc/96/00/73/1073960073.db2.gz GRGRDKBNSPEMOC-MRXNPFEDSA-N 2 1 388.520 -0.006 20 30 GBEDMP Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C ZINC000261969744 1072930596 /nfs/dbraw/zinc/93/05/96/1072930596.db2.gz MLYPLDCXQBDAJP-INIZCTEOSA-N 2 1 388.520 -0.030 20 30 GBEDMP Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C ZINC000261969748 1072930920 /nfs/dbraw/zinc/93/09/20/1072930920.db2.gz MLYPLDCXQBDAJP-MRXNPFEDSA-N 2 1 388.520 -0.030 20 30 GBEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 ZINC000262316319 1073372838 /nfs/dbraw/zinc/37/28/38/1073372838.db2.gz QSCPEBOAAZSKQT-CVEARBPZSA-N 2 1 378.521 -0.189 20 30 GBEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1 ZINC000262316323 1072465500 /nfs/dbraw/zinc/46/55/00/1072465500.db2.gz QSCPEBOAAZSKQT-HZPDHXFCSA-N 2 1 378.521 -0.189 20 30 GBEDMP C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000262331530 1073965176 /nfs/dbraw/zinc/96/51/76/1073965176.db2.gz VDZCTEVDNYTIGF-INIZCTEOSA-N 2 1 378.521 -0.165 20 30 GBEDMP C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000262331531 1073965421 /nfs/dbraw/zinc/96/54/21/1073965421.db2.gz VDZCTEVDNYTIGF-MRXNPFEDSA-N 2 1 378.521 -0.165 20 30 GBEDMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000262344570 1072476229 /nfs/dbraw/zinc/47/62/29/1072476229.db2.gz DCSRXMHVNUUKPM-GJZGRUSLSA-N 2 1 385.534 -0.765 20 30 GBEDMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000262344573 1073389601 /nfs/dbraw/zinc/38/96/01/1073389601.db2.gz DCSRXMHVNUUKPM-LSDHHAIUSA-N 2 1 385.534 -0.765 20 30 GBEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262772191 1073844780 /nfs/dbraw/zinc/84/47/80/1073844780.db2.gz JCULUIPKQKVRCY-IAGOWNOFSA-N 2 1 380.537 -0.479 20 30 GBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000262776528 1073845593 /nfs/dbraw/zinc/84/55/93/1073845593.db2.gz KEDCQIGNLQIYEN-GOSISDBHSA-N 2 1 393.580 -0.562 20 30 GBEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000262776529 1073846115 /nfs/dbraw/zinc/84/61/15/1073846115.db2.gz KEDCQIGNLQIYEN-SFHVURJKSA-N 2 1 393.580 -0.562 20 30 GBEDMP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262805329 637415017 /nfs/dbraw/zinc/41/50/17/637415017.db2.gz SKYVROOIPDHGHY-CYBMUJFWSA-N 2 1 375.564 -0.233 20 30 GBEDMP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262805329 637415012 /nfs/dbraw/zinc/41/50/12/637415012.db2.gz SKYVROOIPDHGHY-CYBMUJFWSA-N 2 1 375.564 -0.233 20 30 GBEDMP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262805330 637414991 /nfs/dbraw/zinc/41/49/91/637414991.db2.gz SKYVROOIPDHGHY-ZDUSSCGKSA-N 2 1 375.564 -0.233 20 30 GBEDMP C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262805330 637414983 /nfs/dbraw/zinc/41/49/83/637414983.db2.gz SKYVROOIPDHGHY-ZDUSSCGKSA-N 2 1 375.564 -0.233 20 30 GBEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262825390 1073853045 /nfs/dbraw/zinc/85/30/45/1073853045.db2.gz YAHOYZXNRTVZAT-GOSISDBHSA-N 2 1 393.561 -0.085 20 30 GBEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262825391 1073853154 /nfs/dbraw/zinc/85/31/54/1073853154.db2.gz YAHOYZXNRTVZAT-SFHVURJKSA-N 2 1 393.561 -0.085 20 30 GBEDMP CN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)S(=O)(=O)c1cccs1 ZINC000269391767 530223935 /nfs/dbraw/zinc/22/39/35/530223935.db2.gz SHQVBEKQXNPYBV-UHFFFAOYSA-N 2 1 389.547 -0.005 20 30 GBEDMP Cc1ccc(S(=O)(=O)NCCNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000269412266 530223917 /nfs/dbraw/zinc/22/39/17/530223917.db2.gz XGYUTPPUKDILDA-UHFFFAOYSA-N 2 1 389.547 -0.039 20 30 GBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1cccs1 ZINC000269480895 530224536 /nfs/dbraw/zinc/22/45/36/530224536.db2.gz OMIIFTMZQPXUOZ-UHFFFAOYSA-N 2 1 375.520 -0.347 20 30 GBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269675463 530224741 /nfs/dbraw/zinc/22/47/41/530224741.db2.gz CRZGKBCZHLGKNJ-CYBMUJFWSA-N 2 1 390.531 -0.491 20 30 GBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269675468 530225114 /nfs/dbraw/zinc/22/51/14/530225114.db2.gz CRZGKBCZHLGKNJ-ZDUSSCGKSA-N 2 1 390.531 -0.491 20 30 GBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276561229 1072173584 /nfs/dbraw/zinc/17/35/84/1072173584.db2.gz BSAICHRZQRFGJN-UHFFFAOYSA-N 2 1 384.502 -0.421 20 30 GBEDMP N#Cc1ccc(N2CCC[N@H+](CCO)CC2)nc1N1CCC[NH+](CCO)CC1 ZINC000278376664 1072496062 /nfs/dbraw/zinc/49/60/62/1072496062.db2.gz LIAVINLHVZOHND-UHFFFAOYSA-N 2 1 388.516 -0.038 20 30 GBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000304762244 638352718 /nfs/dbraw/zinc/35/27/18/638352718.db2.gz VKXQRNSEYGVQIT-CABCVRRESA-N 2 1 375.539 -0.137 20 30 GBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000304762246 638352736 /nfs/dbraw/zinc/35/27/36/638352736.db2.gz VKXQRNSEYGVQIT-GJZGRUSLSA-N 2 1 375.539 -0.137 20 30 GBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000304762248 638352850 /nfs/dbraw/zinc/35/28/50/638352850.db2.gz VKXQRNSEYGVQIT-HUUCEWRRSA-N 2 1 375.539 -0.137 20 30 GBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000304762250 638352642 /nfs/dbraw/zinc/35/26/42/638352642.db2.gz VKXQRNSEYGVQIT-LSDHHAIUSA-N 2 1 375.539 -0.137 20 30 GBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419726451 1072193264 /nfs/dbraw/zinc/19/32/64/1072193264.db2.gz JTDVADSQXDODSD-KRWDZBQOSA-N 2 1 391.516 -0.434 20 30 GBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419726452 1072193145 /nfs/dbraw/zinc/19/31/45/1072193145.db2.gz JTDVADSQXDODSD-QGZVFWFLSA-N 2 1 391.516 -0.434 20 30 GBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000419876499 1072220912 /nfs/dbraw/zinc/22/09/12/1072220912.db2.gz VWIGXHZSFQAMKV-UHFFFAOYSA-N 2 1 398.511 -0.386 20 30 GBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000419876499 1072220905 /nfs/dbraw/zinc/22/09/05/1072220905.db2.gz VWIGXHZSFQAMKV-UHFFFAOYSA-N 2 1 398.511 -0.386 20 30 GBEDMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420173885 1072265924 /nfs/dbraw/zinc/26/59/24/1072265924.db2.gz VYLCSSZJDPYIOQ-UHFFFAOYSA-N 2 1 387.484 -0.055 20 30 GBEDMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420173885 1072265919 /nfs/dbraw/zinc/26/59/19/1072265919.db2.gz VYLCSSZJDPYIOQ-UHFFFAOYSA-N 2 1 387.484 -0.055 20 30 GBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420202955 1072268054 /nfs/dbraw/zinc/26/80/54/1072268054.db2.gz PUJAEORLSMCSQT-GOSISDBHSA-N 2 1 385.468 -0.303 20 30 GBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420202955 1072268044 /nfs/dbraw/zinc/26/80/44/1072268044.db2.gz PUJAEORLSMCSQT-GOSISDBHSA-N 2 1 385.468 -0.303 20 30 GBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420202957 1072267816 /nfs/dbraw/zinc/26/78/16/1072267816.db2.gz PUJAEORLSMCSQT-SFHVURJKSA-N 2 1 385.468 -0.303 20 30 GBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420202957 1072267809 /nfs/dbraw/zinc/26/78/09/1072267809.db2.gz PUJAEORLSMCSQT-SFHVURJKSA-N 2 1 385.468 -0.303 20 30 GBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423039140 1072489858 /nfs/dbraw/zinc/48/98/58/1072489858.db2.gz PXHBLURHNLXJCO-GOSISDBHSA-N 2 1 385.468 -0.221 20 30 GBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423039140 1072489853 /nfs/dbraw/zinc/48/98/53/1072489853.db2.gz PXHBLURHNLXJCO-GOSISDBHSA-N 2 1 385.468 -0.221 20 30 GBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423039141 1072489893 /nfs/dbraw/zinc/48/98/93/1072489893.db2.gz PXHBLURHNLXJCO-SFHVURJKSA-N 2 1 385.468 -0.221 20 30 GBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423039141 1072489889 /nfs/dbraw/zinc/48/98/89/1072489889.db2.gz PXHBLURHNLXJCO-SFHVURJKSA-N 2 1 385.468 -0.221 20 30 GBEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000424192925 1072586071 /nfs/dbraw/zinc/58/60/71/1072586071.db2.gz QDQVBUMVTWKRPB-KRWDZBQOSA-N 2 1 378.521 -0.296 20 30 GBEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000424192931 1072585769 /nfs/dbraw/zinc/58/57/69/1072585769.db2.gz QDQVBUMVTWKRPB-QGZVFWFLSA-N 2 1 378.521 -0.296 20 30 GBEDMP COC(=O)[C@H](O)C1CC[NH+](CC#CC[NH+]2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000472568491 1072961399 /nfs/dbraw/zinc/96/13/99/1072961399.db2.gz FVJVHNQFZNJXKO-QZTJIDSGSA-N 2 1 396.484 -0.518 20 30 GBEDMP COC(=O)[C@@H](O)C1CC[NH+](CC#CC[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000472568493 1072961733 /nfs/dbraw/zinc/96/17/33/1072961733.db2.gz FVJVHNQFZNJXKO-ROUUACIJSA-N 2 1 396.484 -0.518 20 30 GBEDMP C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000522248568 1073305312 /nfs/dbraw/zinc/30/53/12/1073305312.db2.gz RVMCVMYHYADDPU-UHFFFAOYSA-N 2 1 386.412 -0.251 20 30 GBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001023967635 1072633274 /nfs/dbraw/zinc/63/32/74/1072633274.db2.gz FZNODKSVACAFCU-VDHUWJSZSA-N 2 1 376.501 -0.640 20 30 GBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001023979175 1072638986 /nfs/dbraw/zinc/63/89/86/1072638986.db2.gz RPOVTGNZKWOHSD-WJFTUGDTSA-N 2 1 390.528 -0.250 20 30 GBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2O)CC1 ZINC001024131269 1072663397 /nfs/dbraw/zinc/66/33/97/1072663397.db2.gz DRKGYRFOXXRMNN-WJFTUGDTSA-N 2 1 390.528 -0.250 20 30 GBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)CC1 ZINC001024131863 1072663150 /nfs/dbraw/zinc/66/31/50/1072663150.db2.gz OADRTLKCIXVSOE-VDHUWJSZSA-N 2 1 376.501 -0.640 20 30 GBEDMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001691318546 1072247013 /nfs/dbraw/zinc/24/70/13/1072247013.db2.gz FDXPZRNOLBPTLR-YYIAUSFCSA-N 2 1 379.505 -0.190 20 30 GBEDMP