smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000019291465 263374965 /nfs/dbraw/zinc/37/49/65/263374965.db2.gz MNIKKYGCHWNPIX-HTZLVSCSSA-N 0 3 351.450 2.447 40 30 FEEBHN C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 ZINC000008254612 206214319 /nfs/dbraw/zinc/21/43/19/206214319.db2.gz FOMAXICMHIYBMO-OFQRWUPVSA-N 0 3 359.495 2.334 40 30 biogenic,in-vitro FEEBHN N#Cc1cccc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)n1 ZINC000096229100 542997158 /nfs/dbraw/zinc/99/71/58/542997158.db2.gz WNHMPOJDMHUJQF-NRFANRHFSA-N 0 3 363.465 2.467 40 30 FEEBHN CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2 ZINC000585100592 571124519 /nfs/dbraw/zinc/12/45/19/571124519.db2.gz OWNBXYKAPUCBDG-NRFANRHFSA-N 0 3 368.481 2.107 40 30 FEEBHN C#CCOc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc1OCC ZINC000019532197 539660076 /nfs/dbraw/zinc/66/00/76/539660076.db2.gz URPPULJFJAJNQI-UHFFFAOYSA-N 0 3 367.449 2.090 40 30 FEEBHN CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC#N ZINC000409328466 570750412 /nfs/dbraw/zinc/75/04/12/570750412.db2.gz VUDSQDHCLBCBSO-GQCTYLIASA-N 0 3 358.310 2.267 40 30 FEEBHN CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCN2CCC[C@@H]2C1 ZINC000019367094 539656285 /nfs/dbraw/zinc/65/62/85/539656285.db2.gz PKFJLOBBSGMIMS-QZTJIDSGSA-N 0 3 365.485 2.169 40 30 FEEBHN C=CCN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298142 291048319 /nfs/dbraw/zinc/04/83/19/291048319.db2.gz OBLDXPMLBOZDAR-OTWHNJEPSA-N 0 3 365.481 2.300 40 30 biogenic,in-vitro FEEBHN N#Cc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)n1 ZINC000096229101 209141153 /nfs/dbraw/zinc/14/11/53/209141153.db2.gz WNHMPOJDMHUJQF-OAQYLSRUSA-N 0 3 363.465 2.467 40 30 FEEBHN Oc1ccc2ccccc2c1/C=N/NC(=S)N[C@@H]1CN2CCC1CC2 ZINC000001657157 539342685 /nfs/dbraw/zinc/34/26/85/539342685.db2.gz XFQFDFWONSBRIF-MLHZQLSASA-N 0 3 354.479 2.438 40 30 FEEBHN N#Cc1ccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1 ZINC000108527179 209289149 /nfs/dbraw/zinc/28/91/49/209289149.db2.gz BGNADSOGGYZTSL-TZIWHRDSSA-N 0 3 353.466 2.409 40 30 FEEBHN CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCN2CCC[C@H]2C1 ZINC000245230329 548901807 /nfs/dbraw/zinc/90/18/07/548901807.db2.gz PKFJLOBBSGMIMS-ROUUACIJSA-N 0 3 365.485 2.169 40 30 FEEBHN N#CCN1CCC2(CC1)CN(CCN1CCCC1)C(=O)c1ccccc12 ZINC000096090531 209111748 /nfs/dbraw/zinc/11/17/48/209111748.db2.gz KTLQCVDBZPMSDD-UHFFFAOYSA-N 0 3 352.482 2.095 40 30 FEEBHN Oc1ccc2ccccc2c1/C=N\NC(=S)N[C@H]1CN2CCC1CC2 ZINC000017379812 539642026 /nfs/dbraw/zinc/64/20/26/539642026.db2.gz XFQFDFWONSBRIF-BCUAHEQISA-N 0 3 354.479 2.438 40 30 FEEBHN COc1cc(C=CC(=O)C(CN(C)C)CN(C)C)cc(OC)c1OC ZINC000017139655 539639752 /nfs/dbraw/zinc/63/97/52/539639752.db2.gz FRHCUPRMFQUAAT-HJWRWDBZSA-N 0 3 350.459 2.034 40 30 FEEBHN COc1ccc2[nH]cc(CCNC(=N)Nc3ccc([N+](=O)[O-])cn3)c2c1 ZINC000225235307 525489899 /nfs/dbraw/zinc/48/98/99/525489899.db2.gz KNUUPHYYZMPKJJ-UHFFFAOYSA-N 0 3 354.370 2.449 40 30 FEEBHN Oc1ccc2ccccc2c1/C=N/NC(=S)N[C@H]1CN2CCC1CC2 ZINC000001657155 526355264 /nfs/dbraw/zinc/35/52/64/526355264.db2.gz XFQFDFWONSBRIF-PBGVMVHZSA-N 0 3 354.479 2.438 40 30 FEEBHN C#CCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1 ZINC000019291460 210157234 /nfs/dbraw/zinc/15/72/34/210157234.db2.gz UCSBWPYPTMNDQQ-HTZLVSCSSA-N 0 3 351.450 2.447 40 30 FEEBHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCO[C@H](C#N)C1 ZINC000282781275 551269938 /nfs/dbraw/zinc/26/99/38/551269938.db2.gz FDLPHQNUZJPQQD-MSOLQXFVSA-N 0 3 356.470 2.221 40 30 FEEBHN C=CCN1C[C@H]2CN(C(=O)c3csnn3)CC[C@]2(c2ccccc2)C1 ZINC000096083270 210093886 /nfs/dbraw/zinc/09/38/86/210093886.db2.gz XDLIRAXVOWNIIO-QFBILLFUSA-N 0 3 354.479 2.440 40 30 FEEBHN C=CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c1C ZINC000019554470 263374413 /nfs/dbraw/zinc/37/44/13/263374413.db2.gz LYYKJXVFPKOYGJ-BHIFYINESA-N 0 3 366.509 2.240 40 30 FEEBHN C=CCN1C[C@H]2CN(C(=O)c3csnn3)CC[C@@]2(c2ccccc2)C1 ZINC000248178416 518872413 /nfs/dbraw/zinc/87/24/13/518872413.db2.gz XDLIRAXVOWNIIO-LPHOPBHVSA-N 0 3 354.479 2.440 40 30 FEEBHN CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(N)=S ZINC000016957727 211173034 /nfs/dbraw/zinc/17/30/34/211173034.db2.gz XHWUYFYYKFGRCQ-HFITWMCCSA-N 0 3 363.531 2.409 40 30 FEEBHN COc1cc(C=CC(=O)C(CN(C)C)CN(C)C)cc(OC)c1OC ZINC000001582574 210359862 /nfs/dbraw/zinc/35/98/62/210359862.db2.gz FRHCUPRMFQUAAT-CMDGGOBGSA-N 0 3 350.459 2.034 40 30 FEEBHN CN(C)C[C@H](/C(Cc1ccccc1)=N/NC(=S)NN)c1ccccc1 ZINC000006371984 539427214 /nfs/dbraw/zinc/42/72/14/539427214.db2.gz WRKAJEFZCXGQOX-VPMFXMNOSA-N 0 3 355.511 2.268 40 30 FEEBHN CN(C)CCNc1nc(Nc2cccc(F)c2C#N)cc(C(F)(F)F)n1 ZINC000329036413 210133008 /nfs/dbraw/zinc/13/30/08/210133008.db2.gz RIPVHEOWBVKXQZ-UHFFFAOYSA-N 0 3 368.338 2.067 40 30 FEEBHN N#Cc1ccc(N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)nc1 ZINC000096228126 132222871 /nfs/dbraw/zinc/22/28/71/132222871.db2.gz WLCQMZHCRZQQJL-UHFFFAOYSA-N 0 3 353.470 2.010 40 30 FEEBHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000282781281 551269798 /nfs/dbraw/zinc/26/97/98/551269798.db2.gz FDLPHQNUZJPQQD-ROUUACIJSA-N 0 3 356.470 2.221 40 30 FEEBHN CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1 ZINC000020756440 220340213 /nfs/dbraw/zinc/34/02/13/220340213.db2.gz OURZJOAJOVHDAD-KFYPDWBNSA-N 0 3 362.514 2.149 40 30 FEEBHN CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCN2CCC[C@H]2C1 ZINC000245230330 548901718 /nfs/dbraw/zinc/90/17/18/548901718.db2.gz PKFJLOBBSGMIMS-ZWKOTPCHSA-N 0 3 365.485 2.169 40 30 FEEBHN CN(C)CCOc1ccc2c(c1)CC/C(=C\c1ncc([N+](=O)[O-])n1C)C2=O ZINC000001562811 539342844 /nfs/dbraw/zinc/34/28/44/539342844.db2.gz OMXBYAZWEHKRHC-SDNWHVSQSA-N 0 3 370.409 2.481 40 30 FEEBHN CN(C)CCOc1ccc2c(c1)C/C(=C/c1ncc([N+](=O)[O-])n1C)C2=O ZINC000001562700 539343082 /nfs/dbraw/zinc/34/30/82/539343082.db2.gz RXKZAWOROTYWDR-RAXLEYEMSA-N 0 3 356.382 2.091 40 30 FEEBHN COc1cc(C=NNC(=N)N)ccc1OCc1nc2ccccc2nc1C ZINC000016265359 521987929 /nfs/dbraw/zinc/98/79/29/521987929.db2.gz MSWATMRCWKZNCW-LSHDLFTRSA-N 0 3 364.409 2.343 40 30 FEEBHN CN(C)CCOc1ccc2c(c1)C/C(=C\c1ncc([N+](=O)[O-])n1C)C2=O ZINC000001562699 219411812 /nfs/dbraw/zinc/41/18/12/219411812.db2.gz RXKZAWOROTYWDR-JLHYYAGUSA-N 0 3 356.382 2.091 40 30 FEEBHN N#Cc1ccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1 ZINC000108536497 543293481 /nfs/dbraw/zinc/29/34/81/543293481.db2.gz BGNADSOGGYZTSL-CTNGQTDRSA-N 0 3 353.466 2.409 40 30 FEEBHN C=CCn1c2ccccc2nc1N1CCC(C(=O)NCCN(C)C)CC1 ZINC000012221341 539550814 /nfs/dbraw/zinc/55/08/14/539550814.db2.gz XLOXTKFXSGKYBU-UHFFFAOYSA-N 0 3 355.486 2.117 40 30 FEEBHN CN(C)CCOc1ccc2c(c1)CC/C(=C/c1ncc([N+](=O)[O-])n1C)C2=O ZINC000001562812 204012142 /nfs/dbraw/zinc/01/21/42/204012142.db2.gz OMXBYAZWEHKRHC-KAMYIIQDSA-N 0 3 370.409 2.481 40 30 FEEBHN CN(C)CCOc1ccc2c(c1)C(=O)/C(=C\c1ncc([N+](=O)[O-])n1C)C2 ZINC000017064209 539639421 /nfs/dbraw/zinc/63/94/21/539639421.db2.gz JJRNMSJFNVLPDG-LCYFTJDESA-N 0 3 356.382 2.091 40 30 FEEBHN CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCN2CCC[C@@H]2C1 ZINC000019367093 539656348 /nfs/dbraw/zinc/65/63/48/539656348.db2.gz PKFJLOBBSGMIMS-MSOLQXFVSA-N 0 3 365.485 2.169 40 30 FEEBHN C#CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ccccc3)C[C@H]2C1=O ZINC000072341889 541800179 /nfs/dbraw/zinc/80/01/79/541800179.db2.gz PUQHZQKTXNDJCL-CVDCTZTESA-N 0 3 373.456 2.287 40 30 FEEBHN CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(N)=S ZINC000005809930 204225973 /nfs/dbraw/zinc/22/59/73/204225973.db2.gz XHWUYFYYKFGRCQ-XWCAUFEOSA-N 0 3 363.531 2.409 40 30 FEEBHN C=CCN1C[C@@H]2CN(C(=O)c3csnn3)CC[C@]2(c2ccccc2)C1 ZINC000096083269 542991275 /nfs/dbraw/zinc/99/12/75/542991275.db2.gz XDLIRAXVOWNIIO-VQIMIIECSA-N 0 3 354.479 2.440 40 30 FEEBHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000282781283 551269750 /nfs/dbraw/zinc/26/97/50/551269750.db2.gz FDLPHQNUZJPQQD-ZWKOTPCHSA-N 0 3 356.470 2.221 40 30 FEEBHN C#CCCN1CCN(Cc2cn(CC(=O)NC3CC3)c3ccccc23)CC1 ZINC000022917299 539702484 /nfs/dbraw/zinc/70/24/84/539702484.db2.gz NUHUHTOLAKHTSD-UHFFFAOYSA-N 0 3 364.493 2.061 40 30 FEEBHN C=CCN1CCOCC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)C1 ZINC000585102468 571222918 /nfs/dbraw/zinc/22/29/18/571222918.db2.gz UYHCBNPCOIQPES-UHFFFAOYSA-N 0 3 368.428 2.098 40 30 FEEBHN Oc1ccc2ccccc2c1/C=N\NC(=S)N[C@@H]1CN2CCC1CC2 ZINC000017379810 539642348 /nfs/dbraw/zinc/64/23/48/539642348.db2.gz XFQFDFWONSBRIF-LELXDKESSA-N 0 3 354.479 2.438 40 30 FEEBHN C=CCN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CCC[C@]2(C(=O)[O-])C1 ZINC000096064226 542990224 /nfs/dbraw/zinc/99/02/24/542990224.db2.gz PGXJIMCLXOQFDS-JXFKEZNVSA-N 0 3 358.438 2.200 40 30 FEEBHN C=CCN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CCC[C@]2(C(=O)[O-])C1 ZINC000096064226 542990225 /nfs/dbraw/zinc/99/02/25/542990225.db2.gz PGXJIMCLXOQFDS-JXFKEZNVSA-N 0 3 358.438 2.200 40 30 FEEBHN CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(N)=S ZINC000005809928 204225434 /nfs/dbraw/zinc/22/54/34/204225434.db2.gz XHWUYFYYKFGRCQ-JTMDUIFQSA-N 0 3 363.531 2.409 40 30 FEEBHN C[C@@H](O)C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H](C)OS(C)(=O)=O ZINC000004991104 207069945 /nfs/dbraw/zinc/06/99/45/207069945.db2.gz PBYLJDMUBGATNS-ZIAGYGMSSA-N 0 3 367.467 2.093 40 30 FEEBHN C[C@@H](O)C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H](C)OS(C)(=O)=O ZINC000004991104 207069949 /nfs/dbraw/zinc/06/99/49/207069949.db2.gz PBYLJDMUBGATNS-ZIAGYGMSSA-N 0 3 367.467 2.093 40 30 FEEBHN N#Cc1ccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1 ZINC000253614406 549699225 /nfs/dbraw/zinc/69/92/25/549699225.db2.gz BGNADSOGGYZTSL-FPOVZHCZSA-N 0 3 353.466 2.409 40 30 FEEBHN CN(C)CCOc1ccc2c(c1)C(=O)/C(=C/c1ncc([N+](=O)[O-])n1C)C2 ZINC000001562705 539342555 /nfs/dbraw/zinc/34/25/55/539342555.db2.gz JJRNMSJFNVLPDG-UKTHLTGXSA-N 0 3 356.382 2.091 40 30 FEEBHN C=CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c(C)n1 ZINC000019552343 539659679 /nfs/dbraw/zinc/65/96/79/539659679.db2.gz PENGSJMUGXBYBW-BHIFYINESA-N 0 3 366.509 2.240 40 30 FEEBHN N#Cc1cccc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)c1 ZINC000108533735 209290143 /nfs/dbraw/zinc/29/01/43/209290143.db2.gz FFPLXVMUGRRRQI-UHFFFAOYSA-N 0 3 359.495 2.385 40 30 FEEBHN C#CCOc1cccc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1 ZINC000019291462 539654790 /nfs/dbraw/zinc/65/47/90/539654790.db2.gz VILSSZWJAOOYTI-HTZLVSCSSA-N 0 3 351.450 2.447 40 30 FEEBHN CC(C)CN1CCN(C)C(=O)C12CCN(Cc1cccc(C#N)c1)CC2 ZINC000096230259 209140356 /nfs/dbraw/zinc/14/03/56/209140356.db2.gz GKLPBPGXCPAWJF-UHFFFAOYSA-N 0 3 354.498 2.323 40 30 FEEBHN CN1CCC(N=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 ZINC000006169399 539422695 /nfs/dbraw/zinc/42/26/95/539422695.db2.gz ARHOCKKMGZBCLU-UHFFFAOYSA-N 0 3 372.521 2.346 40 30 FEEBHN CCN1CCN(c2ccc([N+](=O)[O-])c(N=NC3CN4CCC3CC4)c2)CC1 ZINC000020437028 539675047 /nfs/dbraw/zinc/67/50/47/539675047.db2.gz ASUGNWVAWCGHLQ-UZYVYHOESA-N 0 3 372.473 2.230 40 30 FEEBHN C#CCCN1CCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)CC1 ZINC000023247912 539710022 /nfs/dbraw/zinc/71/00/22/539710022.db2.gz IEMQUZPGCJMEPA-UHFFFAOYSA-N 0 3 366.509 2.307 40 30 FEEBHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCO[C@H](C#N)C1 ZINC000282781278 551269713 /nfs/dbraw/zinc/26/97/13/551269713.db2.gz FDLPHQNUZJPQQD-QZTJIDSGSA-N 0 3 356.470 2.221 40 30 FEEBHN C[C@H](C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H](C)O)OS(C)(=O)=O ZINC000001701323 210365186 /nfs/dbraw/zinc/36/51/86/210365186.db2.gz PBYLJDMUBGATNS-UONOGXRCSA-N 0 3 367.467 2.093 40 30 FEEBHN C[C@H](C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H](C)O)OS(C)(=O)=O ZINC000001701323 210365191 /nfs/dbraw/zinc/36/51/91/210365191.db2.gz PBYLJDMUBGATNS-UONOGXRCSA-N 0 3 367.467 2.093 40 30 FEEBHN N#Cc1ccc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)cc1 ZINC000108525229 543292637 /nfs/dbraw/zinc/29/26/37/543292637.db2.gz NTFQZEUNDRTLQM-UHFFFAOYSA-N 0 3 359.495 2.385 40 30 FEEBHN C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 ZINC000008254609 539481716 /nfs/dbraw/zinc/48/17/16/539481716.db2.gz INOPSFKGBHUBJL-GRDNDAEWSA-N 0 3 357.479 2.103 40 30 biogenic,in-vitro FEEBHN C=CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C ZINC000019554467 220271200 /nfs/dbraw/zinc/27/12/00/220271200.db2.gz LYYKJXVFPKOYGJ-FDFHNCONSA-N 0 3 366.509 2.240 40 30 FEEBHN CN(C)C[C@@H](/C(Cc1ccccc1)=N/NC(=S)NN)c1ccccc1 ZINC000017211443 220209871 /nfs/dbraw/zinc/20/98/71/220209871.db2.gz WRKAJEFZCXGQOX-SFAXUQRRSA-N 0 3 355.511 2.268 40 30 FEEBHN C#CCN(C)Cc1nc(C2(O)CCN(Cc3ccccc3O)CC2)cs1 ZINC000225469882 548735048 /nfs/dbraw/zinc/73/50/48/548735048.db2.gz IDQTVQSVIVADAR-UHFFFAOYSA-N 0 3 371.506 2.397 40 30 biogenic,in-vitro FEEBHN CN(C)C(=O)CN1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2 ZINC000585100593 571124602 /nfs/dbraw/zinc/12/46/02/571124602.db2.gz OWNBXYKAPUCBDG-OAQYLSRUSA-N 0 3 368.481 2.107 40 30 FEEBHN CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)CC1 ZINC000022457775 220386316 /nfs/dbraw/zinc/38/63/16/220386316.db2.gz OURZJOAJOVHDAD-JLKUWVSASA-N 0 3 362.514 2.149 40 30 FEEBHN C=CCN1CC[C@]2(CN(Cc3nccn3C)C[C@H]2c2ccccc2)C1=O ZINC000096201893 542995381 /nfs/dbraw/zinc/99/53/81/542995381.db2.gz LMOIHCATWAYEEN-GHTZIAJQSA-N 0 3 350.466 2.424 40 30 FEEBHN C=CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)n1 ZINC000019552340 263374422 /nfs/dbraw/zinc/37/44/22/263374422.db2.gz PENGSJMUGXBYBW-FDFHNCONSA-N 0 3 366.509 2.240 40 30 FEEBHN C=CCN1C[C@@H]2CN(C(=O)c3csnn3)CC[C@@]2(c2ccccc2)C1 ZINC000248178415 518872773 /nfs/dbraw/zinc/87/27/73/518872773.db2.gz XDLIRAXVOWNIIO-APWZRJJASA-N 0 3 354.479 2.440 40 30 FEEBHN C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC)cc1 ZINC000015672692 518255667 /nfs/dbraw/zinc/25/56/67/518255667.db2.gz JEWYUPFLPVZFKJ-JENIJYKNSA-N 0 3 370.497 2.092 40 30 biogenic,in-vitro FEEBHN C=CCN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298137 560108383 /nfs/dbraw/zinc/10/83/83/560108383.db2.gz OBLDXPMLBOZDAR-QRVBRYPASA-N 0 3 365.481 2.300 40 30 biogenic,in-vitro FEEBHN N#Cc1ccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1 ZINC000253614407 549699486 /nfs/dbraw/zinc/69/94/86/549699486.db2.gz BGNADSOGGYZTSL-PZJWPPBQSA-N 0 3 353.466 2.409 40 30 FEEBHN