smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)C[C@@H](N3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000005043831 181196518 /nfs/dbraw/zinc/19/65/18/181196518.db2.gz IYYCNRSLERBFNP-DVOMOZLQSA-N 0 1 316.401 2.305 40 0 DEABMN COc1ccc(OC)c(C(=O)N2CCC[C@]3(CCN3C)C2)c1 ZINC000585101728 357332748 /nfs/dbraw/zinc/33/27/48/357332748.db2.gz BTNOAGOZOBXHLJ-KRWDZBQOSA-N 0 1 304.390 2.014 40 0 DEABMN COc1ccc(CN2CCC[C@@](CCC(N)=O)(OC)C2)c(F)c1 ZINC000585276766 357342650 /nfs/dbraw/zinc/34/26/50/357342650.db2.gz DQXKUJNFUILGQD-KRWDZBQOSA-N 0 1 324.396 2.081 40 0 DEABMN CN(Cc1cnccn1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257302986 203027522 /nfs/dbraw/zinc/02/75/22/203027522.db2.gz SFHGRQBDAOTIRJ-SQNIBIBYSA-N 0 1 313.401 2.269 40 0 DEABMN COc1ccc([C@@H]2CN(C3CCOCC3)CCN2C(C)=O)cc1 ZINC000257282000 203010019 /nfs/dbraw/zinc/01/00/19/203010019.db2.gz ORVOIWMPWOAEOU-SFHVURJKSA-N 0 1 318.417 2.079 40 0 DEABMN CN(C)c1ncc(CN2CCN(C)[C@H](c3ccccc3)C2)cn1 ZINC000257318851 203042822 /nfs/dbraw/zinc/04/28/22/203042822.db2.gz VPQPFSCLJSTPGV-KRWDZBQOSA-N 0 1 311.433 2.031 40 0 DEABMN Cn1cc(CN2CC[C@@]3(C[C@H](Nc4ccccc4)CO3)C2)cn1 ZINC000096218802 256553824 /nfs/dbraw/zinc/55/38/24/256553824.db2.gz OAOYSQIVQKIEIQ-ZWKOTPCHSA-N 0 1 312.417 2.266 40 0 DEABMN C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000012414223 134663706 /nfs/dbraw/zinc/66/37/06/134663706.db2.gz AUWAPBFAZFRFCV-NZSAHSFTSA-N 0 1 318.461 2.375 40 0 DEABMN O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc(Cl)c(Cl)c2)[NH2+]1 ZINC000005818892 401730700 /nfs/dbraw/zinc/73/07/00/401730700.db2.gz HQUDGNCRBVPFLW-WDEREUQCSA-N 0 1 312.156 2.405 40 0 DEABMN O=C(c1ccco1)N1CCC[C@H]1c1n[nH]c(-c2ccncc2)n1 ZINC000013266367 401798325 /nfs/dbraw/zinc/79/83/25/401798325.db2.gz GJMZWVMZAFSHKV-LBPRGKRZSA-N 0 1 309.329 2.437 40 0 DEABMN C[C@@H]1CN(CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000025326435 401833087 /nfs/dbraw/zinc/83/30/87/401833087.db2.gz OCMWTSBWJSCCOO-ZIAGYGMSSA-N 0 1 316.401 2.172 40 0 DEABMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079392407 401872547 /nfs/dbraw/zinc/87/25/47/401872547.db2.gz FQWXAHGJWPVPBZ-ZDUSSCGKSA-N 0 1 314.426 2.429 40 0 DEABMN Cc1cccc(NC(=O)[C@H]2C=C([O-])NC(Nc3ccccc3)=[NH+]2)c1 ZINC000014606990 401812529 /nfs/dbraw/zinc/81/25/29/401812529.db2.gz YTPARIXRROLYGZ-OAHLLOKOSA-N 0 1 322.368 2.290 40 0 DEABMN CCN(Cc1cn(CC)nc1C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000036613798 401906027 /nfs/dbraw/zinc/90/60/27/401906027.db2.gz ZZHFMOFSYOXGGX-UHFFFAOYSA-N 0 1 301.394 2.474 40 0 DEABMN O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 ZINC000096042998 402049387 /nfs/dbraw/zinc/04/93/87/402049387.db2.gz UCVQFRRXAMLXGR-AEGPPILISA-N 0 1 306.431 2.006 40 0 DEABMN Cn1cnc2c1[C@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096044940 402049706 /nfs/dbraw/zinc/04/97/06/402049706.db2.gz HOLSWJJFYVFYJK-INIZCTEOSA-N 0 1 319.449 2.173 40 0 DEABMN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccnc3)O2)n1 ZINC000096057521 402053515 /nfs/dbraw/zinc/05/35/15/402053515.db2.gz XJBHFEHBKRVRIT-RBSFLKMASA-N 0 1 300.362 2.268 40 0 DEABMN CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 ZINC000096057324 402053545 /nfs/dbraw/zinc/05/35/45/402053545.db2.gz RSOCSDMNHYTXDJ-OAGGEKHMSA-N 0 1 306.381 2.036 40 0 DEABMN Cc1cccc(C(=O)N2CC[C@]3(CCN3C[C@@H]3CCCO3)C2)c1 ZINC000096076021 402057132 /nfs/dbraw/zinc/05/71/32/402057132.db2.gz GLVIVQROPZRUQB-HKUYNNGSSA-N 0 1 314.429 2.464 40 0 DEABMN Cn1ccnc1CN1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159538 402063452 /nfs/dbraw/zinc/06/34/52/402063452.db2.gz DMCAAEYZOYQDTP-INIZCTEOSA-N 0 1 316.430 2.111 40 0 DEABMN O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 ZINC000096187264 402066123 /nfs/dbraw/zinc/06/61/23/402066123.db2.gz HPMSQNMLTZWDMT-RBSFLKMASA-N 0 1 306.431 2.149 40 0 DEABMN CNc1cnc(C[C@H]2CCCN(Cc3cc[nH]n3)CC2)cn1 ZINC000257258851 402709660 /nfs/dbraw/zinc/70/96/60/402709660.db2.gz KVTZKKCPBCQMFU-ZDUSSCGKSA-N 0 1 300.410 2.086 40 0 DEABMN Cc1c(CN(C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cnn1C ZINC000257262517 402710246 /nfs/dbraw/zinc/71/02/46/402710246.db2.gz LLSNCSUXVMLZCH-SQNIBIBYSA-N 0 1 315.417 2.131 40 0 DEABMN Cc1cn[nH]c1[C@H]1CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000257208196 402703005 /nfs/dbraw/zinc/70/30/05/402703005.db2.gz BLCPOUSVSRCFPH-AWEZNQCLSA-N 0 1 323.400 2.474 40 0 DEABMN CC(C)N(C[C@H]1CC[N@@H+](CC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000079410660 185169813 /nfs/dbraw/zinc/16/98/13/185169813.db2.gz NSJSSFFLODZPPD-LBPRGKRZSA-N 0 1 300.399 2.038 40 0 DEABMN CC(C)N(C[C@@H]1CC[N@@H+](CC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000079410655 185170127 /nfs/dbraw/zinc/17/01/27/185170127.db2.gz NSJSSFFLODZPPD-GFCCVEGCSA-N 0 1 300.399 2.038 40 0 DEABMN Cc1cn[nH]c1[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC000072385915 191145393 /nfs/dbraw/zinc/14/53/93/191145393.db2.gz RVKGESUEQDVFIT-LBPRGKRZSA-N 0 1 304.419 2.432 40 0 DEABMN COc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C)C3)C2=O)cc1 ZINC000005043824 181196212 /nfs/dbraw/zinc/19/62/12/181196212.db2.gz CQAJQFNBTOERDU-IUODEOHRSA-N 0 1 302.374 2.059 40 0 DEABMN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2N)cc1 ZINC000218113680 356273490 /nfs/dbraw/zinc/27/34/90/356273490.db2.gz NJLMFCVZIITXAR-YESZJQIVSA-N 0 1 317.410 2.271 40 0 DEABMN Cc1nc[nH]c1CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585278262 357343192 /nfs/dbraw/zinc/34/31/92/357343192.db2.gz AQQZFOIKSGRHIV-PBHICJAKSA-N 0 1 303.381 2.283 40 0 DEABMN Cc1cnn(C)c1CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279511 357343623 /nfs/dbraw/zinc/34/36/23/357343623.db2.gz NKVJWXMOONBDFX-QAPCUYQASA-N 0 1 317.408 2.293 40 0 DEABMN O=C([O-])CCc1cccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072367044 304064757 /nfs/dbraw/zinc/06/47/57/304064757.db2.gz DNRLOVPVAAUTRM-MRXNPFEDSA-N 0 1 304.390 2.415 40 0 DEABMN Cc1noc(C)c1CCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000257304589 203029386 /nfs/dbraw/zinc/02/93/86/203029386.db2.gz SMINOTYMMNGSCZ-KRWDZBQOSA-N 0 1 313.401 2.397 40 0 DEABMN Cc1c(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cnn1C ZINC000257279864 203009034 /nfs/dbraw/zinc/00/90/34/203009034.db2.gz OIMOYBYBGVXCLW-ROUUACIJSA-N 0 1 315.417 2.133 40 0 DEABMN Cc1ccc(CC(=O)N2CCOC[C@H]2c2[nH]ncc2C)s1 ZINC000257330701 203053649 /nfs/dbraw/zinc/05/36/49/203053649.db2.gz XPOJUXYDBANAIH-ZDUSSCGKSA-N 0 1 305.403 2.231 40 0 DEABMN O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](Cc2cccnc2)C1 ZINC000257312017 203036961 /nfs/dbraw/zinc/03/69/61/203036961.db2.gz UMBRJPBIHYPRAM-AWEZNQCLSA-N 0 1 321.384 2.448 40 0 DEABMN Cc1cn[nH]c1C[C@@H]1CCCN(S(=O)(=O)C2CCCC2)C1 ZINC000257326339 203049260 /nfs/dbraw/zinc/04/92/60/203049260.db2.gz WWVYARQBATWCSD-ZDUSSCGKSA-N 0 1 311.451 2.245 40 0 DEABMN Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cc(C(C)C)no1 ZINC000257337881 203059954 /nfs/dbraw/zinc/05/99/54/203059954.db2.gz YUWNIYSNHWLGNB-LBPRGKRZSA-N 0 1 304.350 2.043 40 0 DEABMN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](C2CCOCC2)C1 ZINC000015674105 182011574 /nfs/dbraw/zinc/01/15/74/182011574.db2.gz NYLRAWPMYPEXAN-CABCVRRESA-N 0 1 315.373 2.023 40 0 biogenic,in-vitro DEABMN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C2CCOCC2)C1 ZINC000015674105 182011575 /nfs/dbraw/zinc/01/15/75/182011575.db2.gz NYLRAWPMYPEXAN-CABCVRRESA-N 0 1 315.373 2.023 40 0 biogenic,in-vitro DEABMN [NH3+][C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019402918 182121566 /nfs/dbraw/zinc/12/15/66/182121566.db2.gz UGALPEZPBKJABS-AWEZNQCLSA-N 0 1 310.332 2.214 40 0 DEABMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000024256341 182378209 /nfs/dbraw/zinc/37/82/09/182378209.db2.gz GMSHIHBRBLVHOX-UHFFFAOYSA-N 0 1 321.354 2.283 40 0 DEABMN CCN1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 ZINC000035291301 285336705 /nfs/dbraw/zinc/33/67/05/285336705.db2.gz RQZPCTCIQPWBPH-HNNXBMFYSA-N 0 1 306.458 2.123 40 0 DEABMN COc1ccc(S(=O)(=O)Nc2ncccc2C)cc1OC ZINC000013947624 401805300 /nfs/dbraw/zinc/80/53/00/401805300.db2.gz ZVSZDAPMBMWBMM-UHFFFAOYSA-N 0 1 308.359 2.208 40 0 DEABMN Cc1[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c(O)c1C ZINC000010152731 401768684 /nfs/dbraw/zinc/76/86/84/401768684.db2.gz OPSKBLQAUOMAKO-UHFFFAOYSA-N 0 1 312.354 2.234 40 0 DEABMN Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc3ccccc3n1)CC2 ZINC000012145335 401780494 /nfs/dbraw/zinc/78/04/94/401780494.db2.gz KZNCHPANIPIPCX-UHFFFAOYSA-N 0 1 306.369 2.185 40 0 DEABMN Nc1nc(C2CCCCC2)c(I)c(=O)[nH]1 ZINC000016939696 401820305 /nfs/dbraw/zinc/82/03/05/401820305.db2.gz LQMGNTWWTLSWPF-UHFFFAOYSA-N 0 1 319.146 2.004 40 0 DEABMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](CC(=O)[O-])C1CC1 ZINC000079392427 401872517 /nfs/dbraw/zinc/87/25/17/401872517.db2.gz BYDMOHSMHATXHQ-OLZOCXBDSA-N 0 1 312.410 2.371 40 0 DEABMN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 ZINC000096041246 402048720 /nfs/dbraw/zinc/04/87/20/402048720.db2.gz YFNZTHGMCAPOAF-USXIJHARSA-N 0 1 318.417 2.318 40 0 DEABMN Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3scnc3C)C2)n1 ZINC000096041225 402048750 /nfs/dbraw/zinc/04/87/50/402048750.db2.gz FFNCQNJLUSZJGH-YNEHKIRRSA-N 0 1 320.418 2.290 40 0 DEABMN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccco2)N1Cc1ccncc1 ZINC000096056597 402052816 /nfs/dbraw/zinc/05/28/16/402052816.db2.gz RQAISFQTTHVAGV-IAGOWNOFSA-N 0 1 311.385 2.440 40 0 DEABMN O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1ccccn1)CC2 ZINC000096061385 402054932 /nfs/dbraw/zinc/05/49/32/402054932.db2.gz KOGCLEPHMLSGEQ-KRWDZBQOSA-N 0 1 322.412 2.115 40 0 DEABMN CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccsc1)C2 ZINC000096061782 402055497 /nfs/dbraw/zinc/05/54/97/402055497.db2.gz SDQQPOOHYPPPLT-UHFFFAOYSA-N 0 1 318.446 2.441 40 0 DEABMN Cc1ccccc1N1C[C@@]2(CCN(Cc3cncn3C)C2)CC1=O ZINC000096077420 402057088 /nfs/dbraw/zinc/05/70/88/402057088.db2.gz IMXKQGHMYLBDGJ-IBGZPJMESA-N 0 1 324.428 2.358 40 0 DEABMN O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3ccncc3)CC2)N1 ZINC000096087451 402057742 /nfs/dbraw/zinc/05/77/42/402057742.db2.gz NQAOKVTUIZAPPF-KRWDZBQOSA-N 0 1 322.412 2.115 40 0 DEABMN O=C1CCCN1[C@@H]1CCO[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096207618 402069427 /nfs/dbraw/zinc/06/94/27/402069427.db2.gz KUZBSICAKHQLQZ-RHSMWYFYSA-N 0 1 304.390 2.026 40 0 DEABMN c1csc(CN2CCC[C@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096215740 402070132 /nfs/dbraw/zinc/07/01/32/402070132.db2.gz XOJMVTYHJSXNBB-INIZCTEOSA-N 0 1 315.446 2.426 40 0 DEABMN c1coc(CN2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)c1 ZINC000096220257 402071835 /nfs/dbraw/zinc/07/18/35/402071835.db2.gz HRVYTPNHGOIXHC-KBRIMQKVSA-N 0 1 300.358 2.200 40 0 DEABMN c1coc(CN2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096223096 402072214 /nfs/dbraw/zinc/07/22/14/402072214.db2.gz FATITTZMVBCXFG-WMLDXEAASA-N 0 1 314.389 2.305 40 0 DEABMN c1cc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)co1 ZINC000096187090 402065915 /nfs/dbraw/zinc/06/59/15/402065915.db2.gz ASROFTVAYQWGAI-IKGGRYGDSA-N 0 1 300.358 2.485 40 0 DEABMN COc1ncccc1CN1CCC2(CN(CC(C)C)C2=O)CC1 ZINC000096202820 402068756 /nfs/dbraw/zinc/06/87/56/402068756.db2.gz RUFREBMCSLZGPR-UHFFFAOYSA-N 0 1 317.433 2.171 40 0 DEABMN C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccoc1)CC2 ZINC000096201559 402068887 /nfs/dbraw/zinc/06/88/87/402068887.db2.gz JJBMVPQEBXAUCA-AWEZNQCLSA-N 0 1 318.417 2.272 40 0 DEABMN O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1 ZINC000224272968 402314259 /nfs/dbraw/zinc/31/42/59/402314259.db2.gz GEVRCWPRLWWHGR-UHFFFAOYSA-N 0 1 322.365 2.017 40 0 DEABMN Cc1cn[nH]c1[C@@H]1COCCN1CCOc1ccc(F)cc1 ZINC000257228911 402705994 /nfs/dbraw/zinc/70/59/94/402705994.db2.gz FVVIWHKUQDJXHU-HNNXBMFYSA-N 0 1 305.353 2.310 40 0 DEABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cnn(C)c1C ZINC000257248669 402708503 /nfs/dbraw/zinc/70/85/03/402708503.db2.gz JESKDORZDHGQBW-HNNXBMFYSA-N 0 1 315.421 2.446 40 0 DEABMN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCCN1CCCC1=O ZINC000257257096 402709708 /nfs/dbraw/zinc/70/97/08/402709708.db2.gz KOCHUWDZHSJMTA-AWEZNQCLSA-N 0 1 318.421 2.174 40 0 DEABMN O[C@H]1CCN(CC2=Cc3ccccc3OC2)C[C@@]12CCCO2 ZINC000257254802 402709724 /nfs/dbraw/zinc/70/97/24/402709724.db2.gz KETHQTMBRHMZPO-ROUUACIJSA-N 0 1 301.386 2.078 40 0 DEABMN Cc1cnc(OC[C@@H]2CCn3nccc3CN2CC2CC2)nc1 ZINC000585096696 405866967 /nfs/dbraw/zinc/86/69/67/405866967.db2.gz APLPIVHVJXZVOQ-INIZCTEOSA-N 0 1 313.405 2.045 40 0 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/nfs/dbraw/zinc/69/50/55/425695055.db2.gz LYYSXIYGPLBEEQ-SFHVURJKSA-N 0 1 316.445 2.381 40 0 DEABMN O=c1[n-]c(-c2cccnc2)nc2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000072339857 275061881 /nfs/dbraw/zinc/06/18/81/275061881.db2.gz LULAFANZNNECHK-CQSZACIVSA-N 0 1 324.384 2.295 40 0 DEABMN O=c1[n-]c(-c2cccnc2)nc2c1C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000072339857 275061882 /nfs/dbraw/zinc/06/18/82/275061882.db2.gz LULAFANZNNECHK-CQSZACIVSA-N 0 1 324.384 2.295 40 0 DEABMN CC[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000008300459 560108010 /nfs/dbraw/zinc/10/80/10/560108010.db2.gz BDNLNXWPQPJIRK-SOUVJXGZSA-N 0 1 308.447 2.085 40 0 biogenic,in-vitro DEABMN CCC1CN2CCC1CC2CNS(=O)(=O)c1ccccc1 ZINC000008300459 560108012 /nfs/dbraw/zinc/10/80/12/560108012.db2.gz BDNLNXWPQPJIRK-SOUVJXGZSA-N 0 1 308.447 2.085 40 0 biogenic,in-vitro DEABMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079392379 185168423 /nfs/dbraw/zinc/16/84/23/185168423.db2.gz ATQYDAQLFPLNKE-LBPRGKRZSA-N 0 1 300.399 2.183 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CCOc1ncccc1C(=O)N1CC[C@H](c2[nH]ncc2C)C1 ZINC000257286775 402711396 /nfs/dbraw/zinc/71/13/96/402711396.db2.gz PMZRKCFBBKIGSL-LBPRGKRZSA-N 0 1 300.362 2.142 40 0 DEABMN Cc1nccc([C@H]2CCCN(Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257331324 402711867 /nfs/dbraw/zinc/71/18/67/402711867.db2.gz XSJQOEZJAWYBNL-HNNXBMFYSA-N 0 1 312.421 2.021 40 0 DEABMN Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000257208197 402702845 /nfs/dbraw/zinc/70/28/45/402702845.db2.gz BLCPOUSVSRCFPH-CQSZACIVSA-N 0 1 323.400 2.474 40 0 DEABMN CCN(C[C@@H]1CCC[N@H+]1CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000079413750 185170513 /nfs/dbraw/zinc/17/05/13/185170513.db2.gz FSDOVJOGCGHXSZ-HNNXBMFYSA-N 0 1 320.389 2.194 40 0 DEABMN COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 ZINC000072340184 191126849 /nfs/dbraw/zinc/12/68/49/191126849.db2.gz GINHXZURABBCQZ-JKIFEVAISA-N 0 1 305.349 2.311 40 0 DEABMN c1ccc(CCN2CCn3c(nnc3[C@H]3CCCCN3)C2)cc1 ZINC000072374071 191139863 /nfs/dbraw/zinc/13/98/63/191139863.db2.gz 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401872245 /nfs/dbraw/zinc/87/22/45/401872245.db2.gz GIKVZPWPDGVRAU-LBPRGKRZSA-N 0 1 300.399 2.040 40 0 DEABMN c1ccc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)nc1 ZINC000096108823 402059921 /nfs/dbraw/zinc/05/99/21/402059921.db2.gz AHFUPNXTROTPOC-QAPCUYQASA-N 0 1 311.385 2.004 40 0 DEABMN Cc1noc(C)c1CN1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 ZINC000096046324 402050359 /nfs/dbraw/zinc/05/03/59/402050359.db2.gz JTORMWGCLYNYOB-RRQGHBQHSA-N 0 1 314.389 2.434 40 0 DEABMN CS(=O)(=O)N1CCCC12CCN(Cc1ccsc1)CC2 ZINC000096049344 402051333 /nfs/dbraw/zinc/05/13/33/402051333.db2.gz SKIVBNLAPWAJNY-UHFFFAOYSA-N 0 1 314.476 2.138 40 0 DEABMN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccccn3)O2)n1 ZINC000096057520 402053241 /nfs/dbraw/zinc/05/32/41/402053241.db2.gz YYJFOJXHMLBHEB-RBSFLKMASA-N 0 1 300.362 2.268 40 0 DEABMN O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1 ZINC000096057662 402053313 /nfs/dbraw/zinc/05/33/13/402053313.db2.gz IGZCDADDHSRVRJ-IAOVAPTHSA-N 0 1 318.392 2.084 40 0 DEABMN 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311.385 2.340 40 0 DEABMN Cc1cc(N2CCN(C)CC2)ncc1CNC(=O)OC(C)(C)C ZINC000072223598 257123834 /nfs/dbraw/zinc/12/38/34/257123834.db2.gz WDYZTAXXASXVOZ-UHFFFAOYSA-N 0 1 320.437 2.167 40 0 DEABMN O=C1[N-]C(=O)[C@@](CC[NH+]2CCCCC2)(c2ccccc2)C(=O)N1 ZINC000031938252 401875006 /nfs/dbraw/zinc/87/50/06/401875006.db2.gz IEJANWYSGVNAOH-UHFFFAOYSA-N 0 1 315.373 2.007 40 0 DEABMN O=C1[N-]C(=O)[C@](CC[NH+]2CCCCC2)(c2ccccc2)C(=O)N1 ZINC000031938252 401875009 /nfs/dbraw/zinc/87/50/09/401875009.db2.gz IEJANWYSGVNAOH-UHFFFAOYSA-N 0 1 315.373 2.007 40 0 DEABMN COc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C)C3)C2=O)cc1 ZINC000033935971 401892698 /nfs/dbraw/zinc/89/26/98/401892698.db2.gz CQAJQFNBTOERDU-SWLSCSKDSA-N 0 1 302.374 2.059 40 0 DEABMN CC(=O)N1CCO[C@@H]2CN(Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096108064 402059692 /nfs/dbraw/zinc/05/96/92/402059692.db2.gz WYVNWEVDDLDMKJ-GDBMZVCRSA-N 0 1 308.809 2.019 40 0 DEABMN CCNC(=O)N1C[C@@H](F)[C@@H](OCc2nc3ccc(C)cc3[nH]2)C1 ZINC000096112079 402060566 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