smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008373858 570530143 /nfs/dbraw/zinc/53/01/43/570530143.db2.gz FRQFIZCURAUTLP-UHFFFAOYSA-N 2 1 397.346 4.622 40 0 GJABMP COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1Cn1cc[nH+]c1C ZINC000036752956 570570219 /nfs/dbraw/zinc/57/02/19/570570219.db2.gz QKKVOJSJXZIHFN-JOCHJYFZSA-N 2 1 379.479 4.725 40 0 GJABMP COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1Cn1cc[nH+]c1C ZINC000036752956 570570226 /nfs/dbraw/zinc/57/02/26/570570226.db2.gz QKKVOJSJXZIHFN-JOCHJYFZSA-N 2 1 379.479 4.725 40 0 GJABMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)cc1 ZINC000096047379 571097188 /nfs/dbraw/zinc/09/71/88/571097188.db2.gz UTZHUUUJOXHSLP-UHFFFAOYSA-N 2 1 378.560 4.882 40 0 GJABMP Cc1nc2c(n1C(C)C)C[N@H+](C1CCC1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306123428 212044085 /nfs/dbraw/zinc/04/40/85/212044085.db2.gz AMXAZFTUDYGVJD-UHFFFAOYSA-N 2 1 392.591 4.674 40 0 GJABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O2 ZINC000072394178 205344157 /nfs/dbraw/zinc/34/41/57/205344157.db2.gz ODURIFQANZQLJD-UHFFFAOYSA-N 2 1 390.449 4.564 40 0 GJABMP c1coc(C[NH+]2CCC3(CC2)C[C@H]([NH2+]Cc2ccoc2)c2ccccc2O3)c1 ZINC000096242822 211323223 /nfs/dbraw/zinc/32/32/23/211323223.db2.gz OIYBWIICQFOYGK-NRFANRHFSA-N 2 1 378.472 4.521 40 0 GJABMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066331689 211001453 /nfs/dbraw/zinc/00/14/53/211001453.db2.gz FMTFZYKYVZBISL-BRXSOUEKSA-N 2 1 388.640 4.562 40 0 GJABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253953 570525836 /nfs/dbraw/zinc/52/58/36/570525836.db2.gz MBJPTNQQQCCESH-UHFFFAOYSA-N 2 1 397.346 4.670 40 0 GJABMP Cc1nn(C(C)C)c(C)c1C[N@@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000043277731 570626356 /nfs/dbraw/zinc/62/63/56/570626356.db2.gz SQXWPVHHXXOTAP-UHFFFAOYSA-N 2 1 383.515 4.509 40 0 GJABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccccc1OC(C)C)Cc1ccccc1O2 ZINC000019450966 570985453 /nfs/dbraw/zinc/98/54/53/570985453.db2.gz LYRHYEGDRPUBNQ-UHFFFAOYSA-N 2 1 394.559 4.769 40 0 GJABMP Cc1nc2c(n1C(C)C)C[N@@H+](CC1CC1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306136214 206202878 /nfs/dbraw/zinc/20/28/78/206202878.db2.gz PNAKXLPHIRZKCD-UHFFFAOYSA-N 2 1 392.591 4.532 40 0 GJABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccccc1Cl ZINC000008254112 570526094 /nfs/dbraw/zinc/52/60/94/570526094.db2.gz DVGGLWJXUHBCHD-UHFFFAOYSA-N 2 1 397.346 4.670 40 0 GJABMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008373831 570529621 /nfs/dbraw/zinc/52/96/21/570529621.db2.gz DLSAIXUAOSERTN-UHFFFAOYSA-N 2 1 397.346 4.622 40 0 GJABMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254576 204268355 /nfs/dbraw/zinc/26/83/55/204268355.db2.gz UKDNKYPQRCFRAY-UHFFFAOYSA-N 2 1 397.346 4.670 40 0 GJABMP COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000019714573 571036082 /nfs/dbraw/zinc/03/60/82/571036082.db2.gz SJPUAQGMCCJSQD-HXUWFJFHSA-N 2 1 375.516 4.779 40 0 GJABMP COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000019714573 571036084 /nfs/dbraw/zinc/03/60/84/571036084.db2.gz SJPUAQGMCCJSQD-HXUWFJFHSA-N 2 1 375.516 4.779 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1 ZINC000100687704 211388356 /nfs/dbraw/zinc/38/83/56/211388356.db2.gz NZDNDERJOJHPRF-SJBKTWHCSA-N 2 1 382.596 4.539 40 0 GJABMP c1coc(C[NH2+][C@H]2CC3(CC[NH+](Cc4nccs4)CC3)c3ccccc32)c1 ZINC000096079060 570210057 /nfs/dbraw/zinc/21/00/57/570210057.db2.gz PZDGVHBAGBEZJN-FQEVSTJZSA-N 2 1 379.529 4.505 40 0 GJABMP COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1Cn1cc[nH+]c1C ZINC000036752958 570570097 /nfs/dbraw/zinc/57/00/97/570570097.db2.gz QKKVOJSJXZIHFN-QFIPXVFZSA-N 2 1 379.479 4.725 40 0 GJABMP COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1Cn1cc[nH+]c1C ZINC000036752958 570570102 /nfs/dbraw/zinc/57/01/02/570570102.db2.gz QKKVOJSJXZIHFN-QFIPXVFZSA-N 2 1 379.479 4.725 40 0 GJABMP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1c[nH]c3ccccc13)Cc1ccccc1O2 ZINC000019583947 571014824 /nfs/dbraw/zinc/01/48/24/571014824.db2.gz KHVSUKCWYBHTJH-UHFFFAOYSA-N 2 1 389.543 4.806 40 0 GJABMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000019447808 210248757 /nfs/dbraw/zinc/24/87/57/210248757.db2.gz RUGOLXLZKRNOMP-UHFFFAOYSA-N 2 1 394.538 4.921 40 0 GJABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccc(OC(C)C)c1)Cc1ccccc1O2 ZINC000019450913 210247839 /nfs/dbraw/zinc/24/78/39/210247839.db2.gz IYOIZLNTBIMGHB-UHFFFAOYSA-N 2 1 394.559 4.769 40 0 GJABMP CCCC[NH+](CCCC)C[C@H](C[NH+](CC)CC)OC(=O)Nc1ccccc1 ZINC000005973425 204159906 /nfs/dbraw/zinc/15/99/06/204159906.db2.gz YNMMCCYCCHKNIQ-NRFANRHFSA-N 2 1 377.573 4.848 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3oc4ccccc4c3C)n(C)n2)CC1 ZINC000100687690 211388654 /nfs/dbraw/zinc/38/86/54/211388654.db2.gz SLOBJSCCJCYGIH-KDURUIRLSA-N 2 1 394.563 4.600 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3oc4ccccc4c3C)n(C)n2)CC1 ZINC000100687690 211388657 /nfs/dbraw/zinc/38/86/57/211388657.db2.gz SLOBJSCCJCYGIH-KDURUIRLSA-N 2 1 394.563 4.600 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)CC[C@H](C)c3ccccc3)n(C)n2)CC1 ZINC000100687705 570274975 /nfs/dbraw/zinc/27/49/75/570274975.db2.gz NZDNDERJOJHPRF-JAXLGGSGSA-N 2 1 382.596 4.539 40 0 GJABMP COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000019714574 210285941 /nfs/dbraw/zinc/28/59/41/210285941.db2.gz SJPUAQGMCCJSQD-FQEVSTJZSA-N 2 1 375.516 4.779 40 0 GJABMP COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000019714574 210285946 /nfs/dbraw/zinc/28/59/46/210285946.db2.gz SJPUAQGMCCJSQD-FQEVSTJZSA-N 2 1 375.516 4.779 40 0 GJABMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000008373833 570530078 /nfs/dbraw/zinc/53/00/78/570530078.db2.gz TYNLYANALUXMQH-UHFFFAOYSA-N 2 1 397.346 4.622 40 0 GJABMP CC1(C)CC([N@H+](Cc2cccnc2)Cc2cccc3cccnc32)CC(C)(C)[NH2+]1 ZINC000036740532 570569432 /nfs/dbraw/zinc/56/94/32/570569432.db2.gz KRTOSUJOIIBGEN-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP CC1(C)CC([N@@H+](Cc2cccnc2)Cc2cccc3cccnc32)CC(C)(C)[NH2+]1 ZINC000036740532 570569435 /nfs/dbraw/zinc/56/94/35/570569435.db2.gz KRTOSUJOIIBGEN-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013511984 570849521 /nfs/dbraw/zinc/84/95/21/570849521.db2.gz BWDBVIZIEPZRRP-WATLYSKOSA-N 2 1 380.576 4.764 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1 ZINC000257277729 570900698 /nfs/dbraw/zinc/90/06/98/570900698.db2.gz NZDNDERJOJHPRF-KCZVDYSFSA-N 2 1 382.596 4.539 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3oc4ccccc4c3C)n(C)n2)CC1 ZINC000257304418 570905289 /nfs/dbraw/zinc/90/52/89/570905289.db2.gz SLOBJSCCJCYGIH-WGSAOQKQSA-N 2 1 394.563 4.600 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3oc4ccccc4c3C)n(C)n2)CC1 ZINC000257304418 570905292 /nfs/dbraw/zinc/90/52/92/570905292.db2.gz SLOBJSCCJCYGIH-WGSAOQKQSA-N 2 1 394.563 4.600 40 0 GJABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc3ncccc3c1)Cc1ccccc1O2 ZINC000019592014 571019235 /nfs/dbraw/zinc/01/92/35/571019235.db2.gz WUZREMJOKVIJKB-UHFFFAOYSA-N 2 1 387.527 4.530 40 0 GJABMP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000257244237 209059718 /nfs/dbraw/zinc/05/97/18/209059718.db2.gz IKLVLFUMNZSNCU-LJQANCHMSA-N 2 1 381.495 4.799 40 0 GJABMP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000257244237 209059723 /nfs/dbraw/zinc/05/97/23/209059723.db2.gz IKLVLFUMNZSNCU-LJQANCHMSA-N 2 1 381.495 4.799 40 0 GJABMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000008373854 570530173 /nfs/dbraw/zinc/53/01/73/570530173.db2.gz QBXVXQDPJDHDAI-UHFFFAOYSA-N 2 1 397.346 4.622 40 0 GJABMP c1coc(C[NH2+][C@@H]2CC3(CC[NH+](Cc4nccs4)CC3)c3ccccc32)c1 ZINC000096079059 208261934 /nfs/dbraw/zinc/26/19/34/208261934.db2.gz PZDGVHBAGBEZJN-HXUWFJFHSA-N 2 1 379.529 4.505 40 0 GJABMP COc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439947 212117348 /nfs/dbraw/zinc/11/73/48/212117348.db2.gz BCVSTRYZAONCLL-JWQCQUIFSA-N 2 1 386.539 4.843 40 0 GJABMP COc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439947 212117346 /nfs/dbraw/zinc/11/73/46/212117346.db2.gz BCVSTRYZAONCLL-JWQCQUIFSA-N 2 1 386.539 4.843 40 0 GJABMP CC1(C)CC([N@H+](Cc2cccnc2)Cc2ccc3ncccc3c2)CC(C)(C)[NH2+]1 ZINC000036740530 570569539 /nfs/dbraw/zinc/56/95/39/570569539.db2.gz DVEKBRNPANBVDA-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP CC1(C)CC([N@@H+](Cc2cccnc2)Cc2ccc3ncccc3c2)CC(C)(C)[NH2+]1 ZINC000036740530 570569541 /nfs/dbraw/zinc/56/95/41/570569541.db2.gz DVEKBRNPANBVDA-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc(OC(C)C)cc1)Cc1ccccc1O2 ZINC000019450690 570985100 /nfs/dbraw/zinc/98/51/00/570985100.db2.gz WMLZXRSOEFPTOS-UHFFFAOYSA-N 2 1 394.559 4.769 40 0 GJABMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1C(F)(F)F)Cc1ccccc1O2 ZINC000019588430 207140870 /nfs/dbraw/zinc/14/08/70/207140870.db2.gz QHWUOTCZCBKVSR-UHFFFAOYSA-N 2 1 390.449 4.564 40 0 GJABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1ccccc1O2 ZINC000019588430 207140873 /nfs/dbraw/zinc/14/08/73/207140873.db2.gz QHWUOTCZCBKVSR-UHFFFAOYSA-N 2 1 390.449 4.564 40 0 GJABMP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)CC[C@H](C)c3ccccc3)n(C)n2)CC1 ZINC000257277730 570900539 /nfs/dbraw/zinc/90/05/39/570900539.db2.gz NZDNDERJOJHPRF-ONTIZHBOSA-N 2 1 382.596 4.539 40 0 GJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013511980 221270358 /nfs/dbraw/zinc/27/03/58/221270358.db2.gz BWDBVIZIEPZRRP-BKSPAHHJSA-N 2 1 380.576 4.764 40 0 GJABMP CC1(C)CC([N@H+](Cc2ccncc2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 ZINC000013992699 570868804 /nfs/dbraw/zinc/86/88/04/570868804.db2.gz CMGZYQASHPZMOK-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP CC1(C)CC([N@@H+](Cc2ccncc2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 ZINC000013992699 570868808 /nfs/dbraw/zinc/86/88/08/570868808.db2.gz CMGZYQASHPZMOK-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008373855 570530100 /nfs/dbraw/zinc/53/01/00/570530100.db2.gz QWGPROZHRRYEQX-UHFFFAOYSA-N 2 1 397.346 4.622 40 0 GJABMP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000257244236 209059991 /nfs/dbraw/zinc/05/99/91/209059991.db2.gz IKLVLFUMNZSNCU-IBGZPJMESA-N 2 1 381.495 4.799 40 0 GJABMP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH+]1 ZINC000257244236 209059994 /nfs/dbraw/zinc/05/99/94/209059994.db2.gz IKLVLFUMNZSNCU-IBGZPJMESA-N 2 1 381.495 4.799 40 0 GJABMP CCCC[NH+](CCCC)C[C@@H](C[NH+](CC)CC)OC(=O)Nc1ccccc1 ZINC000004778082 570405371 /nfs/dbraw/zinc/40/53/71/570405371.db2.gz YNMMCCYCCHKNIQ-OAQYLSRUSA-N 2 1 377.573 4.848 40 0 GJABMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008377001 570530193 /nfs/dbraw/zinc/53/01/93/570530193.db2.gz OULLVEVMKNPEEG-UHFFFAOYSA-N 2 1 387.738 4.925 40 0 GJABMP Cc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000043277690 570626220 /nfs/dbraw/zinc/62/62/20/570626220.db2.gz RBDQFLKQKADKAY-UHFFFAOYSA-N 2 1 397.906 4.666 40 0 GJABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccc3ncccc13)Cc1ccccc1O2 ZINC000019591990 207141475 /nfs/dbraw/zinc/14/14/75/207141475.db2.gz OTNKSFOLJJPTEF-UHFFFAOYSA-N 2 1 387.527 4.530 40 0 GJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004006313 570965510 /nfs/dbraw/zinc/96/55/10/570965510.db2.gz BWDBVIZIEPZRRP-CZSZKKDXSA-N 2 1 380.576 4.764 40 0 GJABMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1 ZINC000096245622 570224061 /nfs/dbraw/zinc/22/40/61/570224061.db2.gz JIYGBLYRRARIFK-WMPKNSHKSA-N 2 1 382.551 4.882 40 0 GJABMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1 ZINC000096245622 570224065 /nfs/dbraw/zinc/22/40/65/570224065.db2.gz JIYGBLYRRARIFK-WMPKNSHKSA-N 2 1 382.551 4.882 40 0 GJABMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1 ZINC000096245622 570224067 /nfs/dbraw/zinc/22/40/67/570224067.db2.gz JIYGBLYRRARIFK-WMPKNSHKSA-N 2 1 382.551 4.882 40 0 GJABMP COc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439950 212116733 /nfs/dbraw/zinc/11/67/33/212116733.db2.gz BCVSTRYZAONCLL-RPBOFIJWSA-N 2 1 386.539 4.843 40 0 GJABMP COc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439950 212116737 /nfs/dbraw/zinc/11/67/37/212116737.db2.gz BCVSTRYZAONCLL-RPBOFIJWSA-N 2 1 386.539 4.843 40 0 GJABMP COc1ccc(C[NH2+]CC[C@@H]2[C@@H](C)C[N@@H+](C)[C@H](C)[C@@H]2Cc2ccccc2)cc1 ZINC000004696768 220749939 /nfs/dbraw/zinc/74/99/39/220749939.db2.gz YGTJKNIFCYOPGW-QDPPLXMDSA-N 2 1 380.576 4.620 40 0 GJABMP c1coc(C[NH+]2CCC3(CC2)C[C@@H]([NH2+]Cc2ccoc2)c2ccccc2O3)c1 ZINC000096242821 208292883 /nfs/dbraw/zinc/29/28/83/208292883.db2.gz OIYBWIICQFOYGK-OAQYLSRUSA-N 2 1 378.472 4.521 40 0 GJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004006312 570965550 /nfs/dbraw/zinc/96/55/50/570965550.db2.gz BWDBVIZIEPZRRP-OTPAQWSUSA-N 2 1 380.576 4.764 40 0 GJABMP COc1ccccc1-c1ccccc1C[NH+]1CCC(Cn2cc[nH+]c2C)CC1 ZINC000019714572 571036166 /nfs/dbraw/zinc/03/61/66/571036166.db2.gz DZDPWPIKLHNCOR-UHFFFAOYSA-N 2 1 375.516 4.779 40 0 GJABMP CC1=C[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000096296140 209014262 /nfs/dbraw/zinc/01/42/62/209014262.db2.gz LTTQDJIJRUAKOZ-ONTIZHBOSA-N 2 1 394.607 4.644 40 0 biogenic,in-vitro GJABMP C[NH+](C)CCC[N@@H+](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004214899 570362984 /nfs/dbraw/zinc/36/29/84/570362984.db2.gz FMTFZYKYVZBISL-HUVRVWIJSA-N 2 1 388.640 4.562 40 0 in-man GJABMP CC1(C)CC([N@H+](Cc2ccccn2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 ZINC000036740498 570569296 /nfs/dbraw/zinc/56/92/96/570569296.db2.gz QMYGDMJSRHAVJL-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP CC1(C)CC([N@@H+](Cc2ccccn2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 ZINC000036740498 570569300 /nfs/dbraw/zinc/56/93/00/570569300.db2.gz QMYGDMJSRHAVJL-UHFFFAOYSA-N 2 1 388.559 4.941 40 0 GJABMP